
FMODB ID: J2Z39
Calculation Name: 4M6H-B-Xray540
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4M6H
Chain ID: B
UniProt ID: I6Y4D2
Base Structure: X-ray
Registration Date: 2025-07-10
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 297 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1509483.010966 |
---|---|
FMO2-HF: Nuclear repulsion | 1449686.350534 |
FMO2-HF: Total energy | -59796.660432 |
FMO2-MP2: Total energy | -59970.476729 |
3D Structure
Ligand structure

Ligand Interaction

Ligand binding energy
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:23:ASN)
Summations of interaction energy for
fragment #1(B:23:ASN)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-1.718 | 2.232 | -0.015 | -2.177 | -1.757 | 0.008 |
Interaction energy analysis for fragmet #1(B:23:ASN)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4 | B | 24 | ILE | 0 | -0.047 | 0.108 | 3.538 | -0.162 | 0.401 | 0.016 | -0.207 | -0.372 | 0.001 |
5 | B | 25 | ALA | 0 | 0.127 | -0.103 | 3.409 | -1.596 | 1.775 | -0.028 | -1.957 | -1.384 | 0.007 |
6 | B | 25 | ALA | 0 | -0.071 | 0.123 | 4.544 | 0.045 | 0.090 | -0.001 | -0.009 | -0.035 | 0.000 |
7 | B | 26 | GLY | 0 | -0.058 | -0.124 | 5.396 | -0.209 | -0.238 | -0.002 | -0.004 | 0.034 | 0.000 |
8 | B | 27 | MET | 0 | 0.114 | 0.011 | 7.606 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 27 | MET | 0 | -0.098 | 0.122 | 6.542 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 28 | VAL | 0 | 0.031 | -0.125 | 9.165 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 28 | VAL | 0 | -0.099 | 0.105 | 12.560 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 29 | VAL | 0 | 0.077 | -0.116 | 12.652 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 29 | VAL | 0 | -0.085 | 0.107 | 11.750 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 30 | PHE | 0 | 0.161 | -0.072 | 14.432 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 30 | PHE | 0 | -0.109 | 0.086 | 18.698 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 31 | ILE | 0 | 0.105 | -0.099 | 18.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 31 | ILE | 0 | -0.113 | 0.079 | 16.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 32 | ASP | 0 | 0.080 | -0.113 | 20.010 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 32 | ASP | -1 | -0.891 | -0.759 | 23.456 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 33 | PRO | 0 | -0.056 | -0.138 | 23.625 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 34 | GLY | 0 | 0.013 | 0.020 | 25.909 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 72 | THR | 0 | 0.101 | 0.057 | 31.449 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 72 | THR | 0 | -0.038 | 0.049 | 32.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 73 | PHE | 0 | 0.115 | -0.067 | 29.813 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 73 | PHE | 0 | -0.014 | 0.122 | 26.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 74 | THR | 0 | 0.076 | -0.082 | 26.784 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 74 | THR | 0 | -0.023 | 0.109 | 27.012 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 75 | TRP | 0 | 0.128 | -0.051 | 25.591 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 75 | TRP | 0 | -0.056 | 0.106 | 26.497 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 76 | GLU | 0 | 0.052 | -0.141 | 25.636 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 76 | GLU | -1 | -0.959 | -0.844 | 27.638 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 77 | THR | 0 | -0.043 | -0.126 | 23.978 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 77 | THR | 0 | -0.037 | 0.084 | 22.478 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 78 | GLY | 0 | 0.035 | -0.086 | 21.873 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 79 | LEU | 0 | 0.054 | -0.024 | 21.044 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 79 | LEU | 0 | -0.077 | 0.114 | 23.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 80 | ARG | 0 | 0.074 | -0.095 | 20.928 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 80 | ARG | 1 | 0.838 | 1.058 | 21.403 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 81 | LEU | 0 | 0.082 | -0.106 | 17.753 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 81 | LEU | 0 | -0.114 | 0.100 | 15.853 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 82 | ARG | 0 | 0.161 | -0.078 | 16.399 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 82 | ARG | 1 | 0.864 | 1.075 | 17.989 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 83 | ALA | 0 | 0.045 | -0.111 | 16.115 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 83 | ALA | 0 | -0.082 | 0.102 | 18.926 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 84 | ALA | 0 | 0.088 | -0.096 | 15.420 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 84 | ALA | 0 | -0.085 | 0.094 | 15.168 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 85 | LEU | 0 | 0.033 | -0.116 | 12.001 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 85 | LEU | 0 | -0.066 | 0.091 | 11.343 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 86 | ASN | 0 | 0.178 | -0.036 | 11.101 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 86 | ASN | 0 | -0.132 | 0.061 | 14.697 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 87 | ALA | 0 | 0.062 | -0.109 | 12.044 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 87 | ALA | 0 | -0.082 | 0.107 | 13.295 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 88 | LEU | 0 | -0.040 | -0.137 | 8.816 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 88 | LEU | 0 | -0.091 | 0.090 | 7.785 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 89 | GLY | 0 | 0.027 | -0.096 | 7.048 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 90 | VAL | 0 | 0.049 | -0.004 | 8.796 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 90 | VAL | 0 | -0.083 | 0.093 | 7.818 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 91 | ARG | 0 | 0.073 | -0.105 | 9.627 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 91 | ARG | 1 | 0.820 | 1.036 | 11.329 | 1.022 | 1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 92 | THR | 0 | -0.004 | -0.068 | 12.810 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 92 | THR | 0 | -0.022 | 0.077 | 13.905 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 93 | ALA | 0 | 0.086 | -0.105 | 15.835 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 93 | ALA | 0 | -0.056 | 0.115 | 19.354 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 94 | LEU | 0 | -0.004 | -0.127 | 19.503 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 94 | LEU | 0 | -0.086 | 0.089 | 21.150 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 95 | SER | 0 | -0.134 | -0.174 | 22.335 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 95 | SER | 0 | 0.083 | 0.060 | 24.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 112 | MET | 0 | 0.166 | 0.011 | 25.419 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 112 | MET | 0 | -0.078 | 0.115 | 23.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 113 | ALA | 0 | 0.062 | -0.115 | 21.904 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 113 | ALA | 0 | -0.064 | 0.117 | 22.004 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 114 | ASN | 0 | 0.150 | -0.072 | 21.360 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 114 | ASN | 0 | -0.109 | 0.067 | 24.103 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 115 | ALA | 0 | 0.068 | -0.110 | 22.247 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 115 | ALA | 0 | -0.075 | 0.109 | 24.325 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 116 | LEU | 0 | 0.063 | -0.114 | 19.949 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 116 | LEU | 0 | -0.096 | 0.108 | 17.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 117 | ARG | 0 | -0.029 | -0.118 | 17.794 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 117 | ARG | 1 | 0.865 | 1.065 | 17.621 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 118 | PRO | 0 | 0.003 | -0.104 | 15.531 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 119 | ASN | 0 | 0.090 | 0.010 | 11.882 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 119 | ASN | 0 | -0.040 | 0.097 | 10.712 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 120 | ALA | 0 | 0.135 | -0.091 | 13.407 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 120 | ALA | 0 | -0.085 | 0.101 | 13.446 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 121 | ILE | 0 | 0.044 | -0.102 | 15.112 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 121 | ILE | 0 | -0.071 | 0.092 | 18.623 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 122 | VAL | 0 | 0.119 | -0.072 | 18.468 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 122 | VAL | 0 | -0.102 | 0.100 | 17.291 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 123 | SER | 0 | -0.013 | -0.106 | 19.621 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 123 | SER | 0 | -0.033 | 0.047 | 24.361 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 124 | LEU | 0 | 0.026 | -0.099 | 23.248 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 124 | LEU | 0 | -0.090 | 0.078 | 20.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 125 | HIS | 0 | 0.070 | -0.105 | 24.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 125 | HIS | 0 | -0.023 | 0.127 | 26.581 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 126 | ALA | 0 | 0.124 | -0.098 | 27.746 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 126 | ALA | 0 | -0.095 | 0.075 | 29.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 127 | ASP | 0 | 0.120 | -0.080 | 30.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 127 | ASP | -1 | -0.882 | -0.755 | 32.106 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 128 | GLY | 0 | -0.050 | -0.138 | 33.372 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 129 | GLY | 0 | 0.032 | 0.030 | 36.739 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 130 | PRO | 0 | 0.035 | -0.006 | 38.497 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 131 | ALA | 0 | 0.170 | 0.030 | 39.194 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 131 | ALA | 0 | -0.048 | 0.126 | 41.593 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 132 | SER | 0 | -0.009 | -0.085 | 39.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 132 | SER | 0 | -0.016 | 0.071 | 41.343 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 133 | GLY | 0 | -0.083 | -0.129 | 37.147 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 134 | ARG | 0 | 0.110 | -0.004 | 34.063 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 134 | ARG | 1 | 0.813 | 1.062 | 31.690 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 135 | GLY | 0 | 0.026 | -0.098 | 29.868 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 136 | PHE | 0 | 0.058 | 0.027 | 26.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 136 | PHE | 0 | -0.096 | 0.084 | 23.580 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 137 | HIS | 0 | 0.061 | -0.095 | 26.751 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 137 | HIS | 0 | -0.062 | 0.099 | 28.416 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 138 | VAL | 0 | 0.068 | -0.135 | 23.149 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 138 | VAL | 0 | -0.121 | 0.100 | 21.213 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 139 | ASN | 0 | 0.077 | -0.083 | 24.539 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 139 | ASN | 0 | -0.062 | 0.077 | 26.693 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 140 | TYR | 0 | 0.054 | -0.083 | 24.204 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 140 | TYR | 0 | -0.047 | 0.095 | 23.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 141 | SER | 0 | 0.133 | -0.072 | 25.240 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 141 | SER | 0 | -0.055 | 0.053 | 26.000 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 142 | ALA | 0 | 0.028 | -0.094 | 26.738 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 142 | ALA | 0 | -0.097 | 0.098 | 28.067 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 143 | PRO | 0 | -0.015 | -0.113 | 29.339 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 144 | PRO | 0 | -0.020 | 0.011 | 25.980 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 145 | LEU | 0 | 0.109 | 0.000 | 27.729 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 145 | LEU | 0 | -0.058 | 0.128 | 28.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 146 | ASN | 0 | 0.013 | -0.097 | 25.875 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 146 | ASN | 0 | -0.072 | 0.060 | 23.902 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 147 | ALA | 0 | 0.208 | -0.072 | 23.186 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 147 | ALA | 0 | -0.055 | 0.117 | 22.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 148 | ILE | 0 | 0.024 | -0.131 | 19.905 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 148 | ILE | 0 | -0.069 | 0.137 | 17.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 149 | GLN | 0 | 0.069 | -0.116 | 20.468 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 149 | GLN | 0 | -0.067 | 0.090 | 24.032 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 150 | ALA | 0 | 0.094 | -0.117 | 23.109 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 150 | ALA | 0 | -0.074 | 0.119 | 23.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 151 | GLY | 0 | -0.041 | -0.104 | 19.989 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 152 | PRO | 0 | -0.012 | -0.013 | 15.632 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 153 | SER | 0 | 0.058 | 0.022 | 17.110 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 153 | SER | 0 | 0.045 | 0.105 | 20.505 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 154 | VAL | 0 | 0.109 | -0.068 | 19.510 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 154 | VAL | 0 | -0.083 | 0.105 | 21.362 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 155 | GLN | 0 | 0.078 | -0.092 | 16.837 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 155 | GLN | 0 | -0.108 | 0.090 | 14.243 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 156 | PHE | 0 | 0.086 | -0.121 | 15.729 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 156 | PHE | 0 | -0.107 | 0.103 | 14.926 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 157 | ALA | 0 | 0.103 | -0.096 | 16.740 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 157 | ALA | 0 | -0.055 | 0.108 | 21.361 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 158 | ARG | 0 | 0.083 | -0.086 | 19.793 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 158 | ARG | 1 | 0.877 | 1.062 | 19.303 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 159 | ILE | 0 | 0.092 | -0.079 | 15.119 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 159 | ILE | 0 | -0.075 | 0.105 | 12.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 160 | MET | 0 | 0.113 | -0.091 | 16.491 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 160 | MET | 0 | -0.116 | 0.111 | 16.326 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 161 | ARG | 0 | 0.164 | -0.085 | 17.650 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 161 | ARG | 1 | 0.649 | 0.954 | 21.476 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 162 | ASP | 0 | 0.057 | -0.133 | 18.761 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 162 | ASP | -1 | -0.921 | -0.776 | 17.811 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 163 | GLN | 0 | 0.057 | -0.107 | 16.248 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 163 | GLN | 0 | -0.041 | 0.113 | 14.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 164 | LEU | 0 | 0.070 | -0.098 | 17.590 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | LEU | 0 | -0.070 | 0.112 | 19.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | GLN | 0 | 0.134 | -0.066 | 20.660 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 165 | GLN | 0 | -0.059 | 0.088 | 22.136 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 166 | ALA | 0 | 0.035 | -0.125 | 19.007 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 166 | ALA | 0 | -0.074 | 0.116 | 18.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 167 | SER | 0 | -0.110 | -0.152 | 20.386 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 167 | SER | 0 | -0.047 | 0.067 | 18.807 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 168 | GLY | 0 | -0.039 | -0.107 | 20.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 169 | ILE | 0 | 0.008 | -0.038 | 23.927 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 169 | ILE | 0 | -0.083 | 0.118 | 23.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 170 | PRO | 0 | 0.005 | -0.106 | 25.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 171 | LYS | 0 | 0.123 | 0.026 | 27.582 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 171 | LYS | 1 | 0.766 | 0.999 | 25.901 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 172 | ALA | 0 | 0.080 | -0.113 | 28.332 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 172 | ALA | 0 | -0.113 | 0.099 | 30.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 173 | ASN | 0 | 0.019 | -0.070 | 31.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 173 | ASN | 0 | -0.049 | 0.068 | 34.540 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 174 | TYR | 0 | 0.007 | -0.092 | 34.390 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 174 | TYR | 0 | -0.130 | 0.010 | 33.201 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 175 | ILE | 0 | 0.065 | -0.121 | 34.048 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 175 | ILE | 0 | -0.059 | 0.120 | 32.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 176 | GLY | 0 | 0.009 | -0.091 | 31.005 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 177 | GLN | 0 | 0.106 | 0.001 | 30.167 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 177 | GLN | 0 | -0.080 | 0.118 | 31.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 178 | ASP | 0 | 0.081 | -0.113 | 28.477 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 178 | ASP | -1 | -0.946 | -0.808 | 27.433 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 179 | GLY | 0 | 0.059 | -0.092 | 26.219 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 180 | LEU | 0 | 0.034 | -0.005 | 25.578 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 180 | LEU | 0 | -0.055 | 0.106 | 22.750 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 181 | TYR | 0 | 0.103 | -0.099 | 26.615 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 181 | TYR | 0 | -0.071 | 0.120 | 29.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 182 | GLY | 0 | -0.009 | -0.096 | 28.056 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 183 | ARG | 0 | 0.041 | 0.006 | 28.965 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 183 | ARG | 1 | 0.721 | 0.948 | 29.720 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 184 | SER | 0 | 0.105 | -0.083 | 30.454 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 184 | SER | 0 | -0.012 | 0.100 | 33.618 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 185 | ASP | 0 | 0.005 | -0.091 | 32.983 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 185 | ASP | -1 | -0.790 | -0.751 | 33.760 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 186 | LEU | 0 | 0.074 | -0.088 | 30.906 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 186 | LEU | 0 | -0.088 | 0.108 | 29.447 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 187 | ALA | 0 | 0.154 | -0.098 | 30.750 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 187 | ALA | 0 | -0.047 | 0.125 | 32.875 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 188 | GLY | 0 | -0.035 | -0.119 | 28.404 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 189 | LEU | 0 | 0.066 | -0.006 | 25.937 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 189 | LEU | 0 | -0.083 | 0.102 | 24.728 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 190 | ASN | 0 | 0.111 | -0.081 | 26.587 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 190 | ASN | 0 | -0.144 | 0.052 | 30.851 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 191 | LEU | 0 | 0.077 | -0.093 | 28.697 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 191 | LEU | 0 | -0.081 | 0.103 | 29.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 192 | ALA | 0 | 0.047 | -0.107 | 24.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 192 | ALA | 0 | -0.046 | 0.126 | 23.041 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 193 | GLN | 0 | 0.041 | -0.121 | 23.112 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 193 | GLN | 0 | -0.063 | 0.097 | 23.190 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 194 | TYR | 0 | 0.037 | -0.094 | 19.063 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 194 | TYR | 0 | -0.042 | 0.111 | 17.661 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 195 | PRO | 0 | 0.034 | -0.097 | 14.987 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 196 | SER | 0 | 0.047 | 0.021 | 18.073 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 196 | SER | 0 | -0.018 | 0.065 | 21.201 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 197 | ILE | 0 | 0.010 | -0.089 | 20.439 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 197 | ILE | 0 | -0.080 | 0.101 | 18.346 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 198 | LEU | 0 | 0.149 | -0.090 | 21.728 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 198 | LEU | 0 | -0.115 | 0.110 | 25.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 199 | VAL | 0 | 0.042 | -0.117 | 22.875 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 199 | VAL | 0 | -0.053 | 0.098 | 20.739 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 200 | GLU | 0 | 0.077 | -0.115 | 24.116 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 200 | GLU | -1 | -0.934 | -0.804 | 28.439 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 201 | LEU | 0 | 0.064 | -0.112 | 25.657 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 201 | LEU | 0 | -0.092 | 0.092 | 22.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 202 | GLY | 0 | 0.015 | -0.112 | 26.489 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 203 | ASN | 0 | 0.148 | 0.010 | 30.010 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 203 | ASN | 0 | -0.163 | 0.073 | 34.292 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 204 | MET | 0 | 0.151 | -0.090 | 33.716 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 204 | MET | 0 | -0.110 | 0.087 | 33.050 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 205 | LYS | 0 | 0.012 | -0.118 | 35.198 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 205 | LYS | 1 | 0.874 | 1.084 | 38.590 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 206 | ASN | 0 | 0.114 | -0.109 | 36.411 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 206 | ASN | 0 | -0.111 | 0.094 | 35.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 207 | PRO | 0 | -0.012 | -0.094 | 36.402 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 208 | ALA | 0 | 0.162 | 0.054 | 35.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 208 | ALA | 0 | -0.124 | 0.069 | 34.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 209 | ASP | 0 | 0.122 | -0.131 | 31.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 209 | ASP | -1 | -0.881 | -0.759 | 31.813 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 210 | SER | 0 | 0.051 | -0.093 | 31.945 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 210 | SER | 0 | 0.012 | 0.116 | 35.989 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 211 | ALA | 0 | 0.088 | -0.090 | 33.966 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 211 | ALA | 0 | -0.083 | 0.108 | 34.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 212 | LEU | 0 | 0.015 | -0.121 | 29.857 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 212 | LEU | 0 | -0.095 | 0.084 | 28.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 213 | MET | 0 | 0.064 | -0.117 | 29.663 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 213 | MET | 0 | -0.114 | 0.094 | 29.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 214 | GLU | 0 | 0.080 | -0.133 | 30.723 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 214 | GLU | -1 | -0.990 | -0.814 | 34.856 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 215 | SER | 0 | 0.002 | -0.106 | 31.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 215 | SER | 0 | -0.043 | 0.094 | 30.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 216 | ALA | 0 | 0.129 | -0.084 | 28.833 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 216 | ALA | 0 | -0.083 | 0.105 | 28.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 217 | GLU | 0 | -0.013 | -0.167 | 26.884 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 217 | GLU | -1 | -0.863 | -0.780 | 27.910 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 218 | GLY | 0 | 0.020 | -0.089 | 26.004 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 219 | ARG | 0 | 0.148 | 0.005 | 25.652 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 219 | ARG | 1 | 0.732 | 1.017 | 25.938 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 220 | GLN | 0 | 0.069 | -0.100 | 22.669 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 220 | GLN | 0 | -0.086 | 0.103 | 19.912 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 221 | LYS | 0 | -0.015 | -0.118 | 21.274 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 221 | LYS | 1 | 0.915 | 1.082 | 22.830 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 222 | TYR | 0 | 0.066 | -0.099 | 21.245 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 222 | TYR | 0 | -0.069 | 0.098 | 23.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 223 | ALA | 0 | 0.115 | -0.089 | 19.844 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 223 | ALA | 0 | -0.043 | 0.118 | 19.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 224 | ASN | 0 | 0.108 | -0.063 | 17.001 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 224 | ASN | 0 | -0.143 | 0.042 | 17.875 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 225 | ALA | 0 | 0.098 | -0.101 | 16.234 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 225 | ALA | 0 | -0.058 | 0.114 | 19.726 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 226 | LEU | 0 | 0.082 | -0.100 | 16.680 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 226 | LEU | 0 | -0.072 | 0.095 | 17.778 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 227 | VAL | 0 | 0.041 | -0.134 | 13.786 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 227 | VAL | 0 | -0.055 | 0.120 | 12.060 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 228 | ARG | 0 | 0.040 | -0.086 | 12.030 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 228 | ARG | 1 | 0.849 | 1.057 | 13.709 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 229 | GLY | 0 | 0.049 | -0.083 | 12.235 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 230 | VAL | 0 | 0.040 | -0.004 | 12.540 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 230 | VAL | 0 | -0.095 | 0.089 | 11.203 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 231 | ALA | 0 | 0.095 | -0.120 | 8.489 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 231 | ALA | 0 | -0.065 | 0.117 | 7.999 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 232 | GLY | 0 | -0.015 | -0.105 | 7.810 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 233 | PHE | 0 | 0.103 | 0.025 | 9.724 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 233 | PHE | 0 | -0.084 | 0.089 | 12.374 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 234 | LEU | 0 | 0.029 | -0.110 | 8.132 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 234 | LEU | 0 | -0.046 | 0.087 | 7.305 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 235 | ALA | 0 | 0.178 | -0.068 | 5.291 | -0.697 | -0.697 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 235 | ALA | 0 | -0.078 | 0.109 | 5.877 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 236 | THR | 0 | -0.110 | -0.136 | 6.188 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 236 | THR | 0 | -0.059 | 0.042 | 10.409 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 237 | GLN | 0 | -0.103 | -0.111 | 6.556 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 237 | GLN | 0 | -0.019 | 0.000 | 8.925 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |