ACE CA:0 C:1 O:2 N:-1 H:-1 CB:-1 CG1:-1 CG2:-1 CG:-1 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 GLY CA:5 C:6 O:7 N:3 H:4 CB:-1 CG1:-1 CG2:-1 CG:-1 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 GLU CA:10 C:16 O:17 N:8 H:9 CB:11 CG1:-1 CG2:-1 CG:12 OG:-1 OG1:-1 OE:14 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 TRP CA:20 C:32 O:33 N:18 H:19 CB:21 CG1:-1 CG2:-1 CG:22 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:23 CD2:24 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 THR CA:36 C:40 O:41 N:34 H:35 CB:37 CG1:-1 CG2:39 CG:-1 OG:-1 OG1:38 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 TYR CA:44 C:53 O:54 N:42 H:43 CB:45 CG1:-1 CG2:-1 CG:46 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:47 CD2:48 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 ASN CA:57 C:64 O:65 N:55 H:56 CB:58 CG1:-1 CG2:-1 CG:59 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:60 OD2:-1 HD1:-1 ND1:-1 ND2:61 PRO CA:67 C:71 O:72 N:66 H:-1 CB:68 CG1:-1 CG2:-1 CG:69 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 ALA CA:75 C:77 O:78 N:73 H:74 CB:76 CG1:-1 CG2:-1 CG:-1 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 THR CA:81 C:85 O:86 N:79 H:80 CB:82 CG1:-1 CG2:84 CG:-1 OG:-1 OG1:83 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 GLY CA:89 C:90 O:91 N:87 H:88 CB:-1 CG1:-1 CG2:-1 CG:-1 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 LYS CA:94 C:100 O:101 N:92 H:93 CB:95 CG1:-1 CG2:-1 CG:96 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 PHE CA:104 C:112 O:113 N:102 H:103 CB:105 CG1:-1 CG2:-1 CG:106 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:107 CD2:108 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 THR CA:116 C:120 O:121 N:114 H:115 CB:117 CG1:-1 CG2:119 CG:-1 OG:-1 OG1:118 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 VAL CA:124 C:126 O:127 N:122 H:123 CB:125 CG1:128 CG2:129 CG:-1 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 THR CA:132 C:136 O:137 N:130 H:131 CB:133 CG1:-1 CG2:135 CG:-1 OG:-1 OG1:134 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 GLU CA:140 C:146 O:147 N:138 H:139 CB:141 CG1:-1 CG2:-1 CG:142 OG:-1 OG1:-1 OE:144 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 NMA CA:150 C:-1 O:-1 N:148 H:149 CB:-1 CG1:-1 CG2:-1 CG:-1 OG:-1 OG1:-1 OE:-1 NE:-1 CD1:-1 CD2:-1 OD1:-1 OD2:-1 HD1:-1 ND1:-1 ND2:-1 [ exclusions ] 1 38 3 19 ; Oi-Ni+3 3 35 ; Oi-Ni+4 3 8 1 8 2 8 3 7 1 7 1 18 2 18 2 9 3 11 3 9 1 11 1 17 2 11 2 17 6 46 8 35 ; Oi-Ni+3 8 43 ; Oi-Ni+4 4 17 8 18 4 10 4 18 6 18 7 18 8 17 6 17 4 33 4 34 6 34 7 34 7 19 8 21 8 19 6 21 6 33 7 21 7 33 2 34 11 59 18 43 ; Oi-Ni+3 18 56 ; Oi-Ni+4 13 10 13 20 9 33 18 34 9 20 9 34 11 34 17 34 18 33 11 33 9 41 9 42 11 42 17 42 17 35 18 37 18 35 11 37 11 41 17 37 17 41 7 42 21 69 34 56 ; Oi-Ni+3 23 20 23 36 23 35 24 20 25 20 24 19 25 19 24 18 25 18 24 35 25 35 19 41 34 42 19 36 19 42 21 42 33 42 34 41 21 41 19 54 19 55 21 55 33 55 33 43 34 45 34 43 21 45 21 54 33 45 33 54 17 55 37 77 42 74 ; Oi-Ni+4 39 36 39 42 39 43 39 44 39 34 40 36 40 44 35 54 42 55 35 44 35 55 37 55 41 55 42 54 37 54 35 65 35 66 37 66 41 66 41 56 42 58 42 56 37 58 37 65 41 58 41 65 33 66 45 83 55 74 ; Oi-Ni+3 55 80 ; Oi-Ni+4 47 44 47 57 47 56 48 44 49 44 48 43 49 43 48 42 49 42 48 56 49 56 43 65 55 66 43 57 43 66 45 66 54 66 55 65 45 65 43 72 43 73 45 73 54 73 54 67 55 68 55 67 45 68 45 72 54 68 54 72 41 73 58 90 ; 0.671 0.50 GLY nm 66 80 ; Oi-Ni+3 66 88 ; Oi-Ni+4 60 57 ; CG-Hi asx 60 67 ; CG-Ni+1 asx 62 56 ; ND2-Ni asx 62 67 ; ND2-Ni+1 asx 63 66 ; HD21-Oi asx 61 57 ; OD1-Hi asx 56 72 66 73 56 73 58 73 65 73 66 72 58 72 56 78 56 79 58 79 65 79 65 74 66 76 66 74 58 76 58 78 65 76 65 78 54 79 68 96 73 88 ; Oi-Ni+3 73 93 ; Oi-Ni+4 70 75 67 78 73 79 67 75 67 79 68 79 72 79 73 78 68 78 67 86 67 87 68 87 72 87 72 80 73 82 73 80 68 82 68 86 72 82 72 86 65 87 76 106 79 93 ; Oi-Ni+3 79 103 ; Oi-Ni+4 74 86 79 87 74 81 74 87 76 87 78 87 79 86 76 86 74 91 74 92 76 92 78 92 78 88 79 90 79 88 76 90 76 91 78 90 78 91 72 92 82 118 87 103 ; Oi-Ni+3 87 115 ; Oi-Ni+4 84 81 84 87 84 88 84 89 84 79 85 81 85 89 80 91 87 92 80 89 80 92 82 92 86 92 87 91 82 91 80 101 80 102 82 102 86 102 86 93 87 95 87 93 82 95 82 101 86 95 86 101 78 102 90 126 92 115 ; Oi-Ni+3 92 123 ; Oi-Ni+4 88 101 92 102 88 94 88 102 90 102 91 102 92 101 90 101 88 113 88 114 90 114 91 114 91 103 92 105 92 103 90 105 90 113 91 105 91 113 86 114 95 134 102 123 ; Oi-Ni+3 102 131 ; Oi-Ni+4 97 94 97 104 93 113 102 114 93 104 93 114 95 114 101 114 102 113 95 113 93 121 93 122 95 122 101 122 101 115 102 117 102 115 95 117 95 121 101 117 101 121 91 122 105 142 114 131 ; Oi-Ni+3 114 139 ; Oi-Ni+4 107 104 107 116 107 115 108 104 109 104 108 103 109 103 108 102 109 102 108 115 109 115 103 121 114 122 103 116 103 122 105 122 113 122 114 121 105 121 103 127 103 128 105 128 113 128 113 123 114 125 114 123 105 125 105 127 113 125 113 127 101 128 122 139 ; Oi-Ni+3 122 149 ; Oi-Ni+4 119 116 119 122 119 123 119 124 119 114 120 116 120 124 115 127 122 128 115 124 115 128 117 128 121 128 122 127 117 127 115 137 115 138 117 138 121 138 121 131 122 133 122 131 117 133 117 137 121 133 121 137 113 138 128 149 ; Oi-Ni+3 129 124 129 132 130 124 130 132 123 137 128 138 123 132 123 138 125 138 127 138 128 137 125 137 123 147 123 148 125 148 127 148 127 139 128 141 128 139 125 141 125 147 127 141 127 147 121 148 135 132 135 138 135 139 135 140 135 128 136 132 136 140 131 147 138 148 131 140 131 148 133 148 137 148 138 147 133 147 137 149 138 151 138 149 133 151 137 151 143 140 143 150 139 150 [ pairs ] 1 38 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 3 19 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 3 35 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 3 8 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 1 8 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 2 8 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 3 7 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 1 7 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 1 18 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 2 18 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 2 9 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 11 3 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 3 9 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 1 11 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 1 17 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 2 11 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 2 17 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 6 46 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 8 35 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 8 43 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 4 17 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 8 18 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 4 10 1 4.42E-04 1.64E-08 ; Ni---Hi+1 18 4 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 6 18 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 7 18 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 8 17 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 6 17 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 4 33 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 34 4 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 6 34 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 7 34 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 7 19 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 21 8 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 8 19 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 6 21 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 6 33 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 7 21 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 7 33 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 2 34 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 11 59 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 18 43 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 18 56 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 13 10 1 1.74675E-03 1.70645E-06 ; H-CG H 0.2 0.24 nm rep 13 20 1 1.74675E-03 1.70645E-06 ; H-CG H 0.2 0.24 nm rep 9 33 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 18 34 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 9 20 1 4.42E-04 1.64E-08 ; Ni---Hi+1 34 9 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 11 34 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 17 34 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 18 33 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 11 33 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 12 20 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 9 41 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 42 9 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 11 42 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 17 42 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 17 35 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 37 18 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 18 35 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 11 37 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 11 41 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 17 37 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 17 41 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 7 42 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 21 69 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 34 56 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 23 20 1 6.53184E-04 4.76171E-07 ; CG-Hi aro 23 36 1 6.53184E-04 4.76171E-07 ; CG-Hi+1 aro 23 35 1 1.91985E-03 2.06142E-06 ; CG-Ni+1 aro 24 20 1 6.53184E-04 4.76171E-07 ; Hi-CD1 aro 25 20 1 6.53184E-04 4.76171E-07 ; Hi-CD2 aro 24 19 1 1.30345E-03 9.50217E-07 ; CD1-Ni aro 25 19 1 1.30345E-03 9.50217E-07 ; CD2-Ni aro 24 18 1 1.06354E-03 6.32621E-07 ; CD1-Oi-1 aro 25 18 1 1.06354E-03 6.32621E-07 ; CD2-Oi-1 aro 24 35 1 2.76211E-03 4.26692E-06 ; CD1-Ni+1 aro 25 35 1 2.76211E-03 4.26692E-06 ; CD2-Ni+1 aro 19 41 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 34 42 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 19 36 1 4.42E-04 1.64E-08 ; Ni---Hi+1 42 19 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 21 42 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 33 42 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 34 41 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 21 41 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 22 36 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 19 54 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 55 19 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 21 55 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 33 55 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 33 43 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 45 34 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 34 43 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 21 45 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 21 54 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 33 45 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 33 54 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 17 55 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 37 77 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 42 74 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 39 36 1 2.26760E-04 1.28550E-07 ; OG1-Hi rep 39 42 1 7.74841E-04 1.50095E-06 ; OG1-Oi rep 39 43 1 3.83970E-03 4.12285E-06 ; OG1-Ni+1 39 44 1 1.13380E-03 1.28550E-07 ; Og1-Hi+1 39 34 1 3.87420E-03 1.50095E-06 ; Og1-Oi-1 40 36 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 40 44 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 35 54 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 42 55 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 35 44 1 4.42E-04 1.64E-08 ; Ni---Hi+1 55 35 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 37 55 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 41 55 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 42 54 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 37 54 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 38 44 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 35 65 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 66 35 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 37 66 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 41 66 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 41 56 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 58 42 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 42 56 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 37 58 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 37 65 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 41 58 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 41 65 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 33 66 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 45 83 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 55 74 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 55 80 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 47 44 1 6.53184E-04 4.76171E-07 ; CG-Hi aro 47 57 1 6.53184E-04 4.76171E-07 ; CG-Hi+1 aro 47 56 1 1.91985E-03 2.06142E-06 ; CG-Ni+1 aro 48 44 1 6.53184E-04 4.76171E-07 ; Hi-CD1 aro 49 44 1 6.53184E-04 4.76171E-07 ; Hi-CD2 aro 48 43 1 1.30345E-03 9.50217E-07 ; CD1-Ni aro 49 43 1 1.30345E-03 9.50217E-07 ; CD2-Ni aro 48 42 1 1.06354E-03 6.32621E-07 ; CD1-Oi-1 aro 49 42 1 1.06354E-03 6.32621E-07 ; CD2-Oi-1 aro 48 56 1 2.76211E-03 4.26692E-06 ; CD1-Ni+1 aro 49 56 1 2.76211E-03 4.26692E-06 ; CD2-Ni+1 aro 43 65 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 55 66 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 43 57 1 4.42E-04 1.64E-08 ; Ni---Hi+1 66 43 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 45 66 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 54 66 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 55 65 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 45 65 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 46 57 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 43 72 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 73 43 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 45 73 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 54 73 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 54 67 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 68 55 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 55 67 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 45 68 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 45 72 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 54 68 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 54 72 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 41 73 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 58 90 1 4.19375E-02 6.55273E-04 ; 0.671 0.50 GLY nm 66 80 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 66 88 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 60 57 1 0.0 8.5E-07 ; CG-Hi asx 60 67 1 1.91985E-03 2.06142E-06 ; CG-Ni+1 asx 62 56 1 1.30345E-03 9.50217E-07 ; ND2-Ni asx 62 67 1 2.76211E-03 4.26692E-06 ; ND2-Ni+1 asx 63 66 1 1.47640E-03 2.47698E-08 ; HD21-Oi asx 61 57 1 1.67772E-03 2.81475E-08 ; OD1-Hi asx 56 72 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 66 73 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 73 56 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 58 73 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 65 73 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 66 72 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 58 72 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 56 78 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 79 56 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 58 79 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 65 79 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 65 74 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 76 66 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 66 74 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 58 76 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 58 78 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 65 76 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 65 78 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 54 79 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 68 96 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 73 88 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 73 93 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 70 75 1 1.74675E-03 1.70645E-06 ; H-CG H 0.2 0.24 nm rep 67 78 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 73 79 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 67 75 1 4.42E-04 1.64E-08 ; Ni---Hi+1 79 67 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 68 79 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 72 79 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 73 78 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 68 78 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 69 75 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 67 86 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 87 67 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 68 87 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 72 87 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 72 80 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 82 73 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 73 80 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 68 82 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 68 86 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 72 82 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 72 86 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 65 87 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 76 106 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 79 93 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 79 103 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 74 86 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 79 87 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 74 81 1 4.42E-04 1.64E-08 ; Ni---Hi+1 87 74 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 76 87 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 78 87 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 79 86 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 76 86 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 77 81 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 74 91 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 92 74 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 76 92 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 78 92 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 78 88 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 90 79 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 79 88 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 76 90 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 76 91 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 78 90 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 78 91 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 72 92 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 82 118 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 87 103 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 87 115 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 84 81 1 2.26760E-04 1.28550E-07 ; OG1-Hi rep 84 87 1 7.74841E-04 1.50095E-06 ; OG1-Oi rep 84 88 1 3.83970E-03 4.12285E-06 ; OG1-Ni+1 84 89 1 1.13380E-03 1.28550E-07 ; Og1-Hi+1 84 79 1 3.87420E-03 1.50095E-06 ; Og1-Oi-1 85 81 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 85 89 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 80 91 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 87 92 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 80 89 1 4.42E-04 1.64E-08 ; Ni---Hi+1 92 80 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 82 92 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 86 92 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 87 91 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 82 91 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 83 89 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 80 101 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 102 80 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 82 102 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 86 102 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 86 93 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 95 87 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 87 93 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 82 95 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 82 101 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 86 95 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 86 101 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 78 102 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 90 126 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 92 115 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 92 123 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 88 101 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 92 102 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 88 94 1 4.42E-04 1.64E-08 ; Ni---Hi+1 102 88 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 90 102 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 91 102 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 92 101 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 90 101 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 88 113 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 114 88 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 90 114 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 91 114 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 91 103 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 105 92 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 92 103 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 90 105 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 90 113 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 91 105 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 91 113 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 86 114 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 95 134 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 102 123 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 102 131 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 97 94 1 1.74675E-03 1.70645E-06 ; H-CG H 0.2 0.24 nm rep 97 104 1 1.74675E-03 1.70645E-06 ; H-CG H 0.2 0.24 nm rep 93 113 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 102 114 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 93 104 1 4.42E-04 1.64E-08 ; Ni---Hi+1 114 93 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 95 114 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 101 114 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 102 113 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 95 113 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 96 104 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 93 121 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 122 93 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 95 122 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 101 122 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 101 115 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 117 102 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 102 115 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 95 117 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 95 121 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 101 117 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 101 121 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 91 122 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 105 142 1 2.89314E-02 3.11858E-04 ; 0.671 0.47 nm 114 131 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 114 139 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 107 104 1 6.53184E-04 4.76171E-07 ; CG-Hi aro 107 116 1 6.53184E-04 4.76171E-07 ; CG-Hi+1 aro 107 115 1 1.91985E-03 2.06142E-06 ; CG-Ni+1 aro 108 104 1 6.53184E-04 4.76171E-07 ; Hi-CD1 aro 109 104 1 6.53184E-04 4.76171E-07 ; Hi-CD2 aro 108 103 1 1.30345E-03 9.50217E-07 ; CD1-Ni aro 109 103 1 1.30345E-03 9.50217E-07 ; CD2-Ni aro 108 102 1 1.06354E-03 6.32621E-07 ; CD1-Oi-1 aro 109 102 1 1.06354E-03 6.32621E-07 ; CD2-Oi-1 aro 108 115 1 2.76211E-03 4.26692E-06 ; CD1-Ni+1 aro 109 115 1 2.76211E-03 4.26692E-06 ; CD2-Ni+1 aro 103 121 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 114 122 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 103 116 1 4.42E-04 1.64E-08 ; Ni---Hi+1 122 103 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 105 122 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 113 122 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 114 121 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 105 121 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 106 116 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 103 127 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 128 103 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 105 128 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 113 128 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 113 123 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 125 114 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 114 123 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 105 125 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 105 127 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 113 125 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 113 127 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 101 128 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 122 139 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 122 149 1 1.42945E-02 2.73172E-06 ; Oi-Ni+4 119 116 1 2.26760E-04 1.28550E-07 ; OG1-Hi rep 119 122 1 7.74841E-04 1.50095E-06 ; OG1-Oi rep 119 123 1 3.83970E-03 4.12285E-06 ; OG1-Ni+1 119 124 1 1.13380E-03 1.28550E-07 ; Og1-Hi+1 119 114 1 3.87420E-03 1.50095E-06 ; Og1-Oi-1 120 116 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 120 124 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 115 127 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 122 128 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 115 124 1 4.42E-04 1.64E-08 ; Ni---Hi+1 128 115 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 117 128 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 121 128 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 122 127 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 117 127 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 118 124 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 115 137 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 138 115 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 117 138 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 121 138 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 121 131 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 133 122 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 122 131 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 117 133 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 117 137 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 121 133 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 121 137 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 113 138 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 128 149 1 1.42945E-02 2.73172E-06 ; Oi-Ni+3 129 124 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 129 132 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 130 124 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 130 132 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 123 137 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 128 138 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 123 132 1 4.42E-04 1.64E-08 ; Ni---Hi+1 138 123 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 125 138 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 127 138 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 128 137 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 125 137 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 126 132 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 123 147 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 148 123 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 125 148 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 127 148 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 127 139 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 141 128 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 128 139 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 125 141 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 125 147 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 127 141 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 127 147 1 2.17678E-03 4.73838E-06 ; 0.45 0.36 nm 121 148 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 135 132 1 2.26760E-04 1.28550E-07 ; OG1-Hi rep 135 138 1 7.74841E-04 1.50095E-06 ; OG1-Oi rep 135 139 1 3.83970E-03 4.12285E-06 ; OG1-Ni+1 135 140 1 1.13380E-03 1.28550E-07 ; Og1-Hi+1 135 128 1 3.87420E-03 1.50095E-06 ; Og1-Oi-1 136 132 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 136 140 1 1.06354E-03 6.32621E-07 ; H-CG H 0.2 0.24 nm rep 131 147 1 3.37244E-03 5.68668E-06 ; 0.5 0.345 nm 138 148 1 4.13270E-03 5.33725E-06 ; Oi-Oi+1 131 140 1 4.42E-04 1.64E-08 ; Ni---Hi+1 148 131 1 2.87870E-03 2.31737E-06 ; 0.894 0.305 nm 133 148 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 137 148 1 1.91985E-03 2.06142E-06 ; 0.6 0.32 nm 138 147 1 9.29809E-04 3.60227E-07 ; Oi-Ci+1 133 147 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 134 140 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep 137 149 1 3.37244E-03 5.68668E-06 ; 0.671 0.345 nm 151 138 1 2.26146E-03 3.19637E-06 ; 0.6 0.335 nm 138 149 1 1.10468E-03 3.41254E-07 ; Oi-Ni+2 133 151 1 2.81500E-03 9.90525E-06 ; 0.45 0.39 nm 137 151 1 2.49170E-03 6.92920E-06 ; 0.45 0.375 nm 143 140 1 1.74675E-03 1.70645E-06 ; H-CG H 0.2 0.24 nm rep 143 150 1 1.74675E-03 1.70645E-06 ; H-CG H 0.2 0.24 nm rep 139 150 1 4.42E-04 1.64E-08 ; Ni---Hi+1 142 150 1 1.74675E-03 1.70645E-06 ; H-Cb H 0.2 0.24 nm rep [ impropers ] 3 2 4 6 2 0.0 300.0 8 7 9 11 2 0.0 300.0 18 17 19 21 2 0.0 300.0 34 33 35 37 2 0.0 300.0 42 41 43 45 2 0.0 300.0 55 54 56 58 2 0.0 300.0 66 65 67 68 2 0.0 300.0 73 72 74 76 2 0.0 300.0 79 78 80 82 2 0.0 300.0 87 86 88 90 2 0.0 300.0 92 91 93 95 2 0.0 300.0 102 101 103 105 2 0.0 300.0 114 113 115 117 2 0.0 300.0 122 121 123 125 2 0.0 300.0 128 127 131 133 2 0.0 300.0 138 137 139 141 2 0.0 300.0 148 147 149 151 2 0.0 300.0