![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: Z67YN
Calculation Name: 5BQ9-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5BQ9
Chain ID: B
UniProt ID: Q5ZVE4
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
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 | 437 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7672925.52084 |
---|---|
FMO2-HF: Nuclear repulsion | 7500707.212501 |
FMO2-HF: Total energy | -172218.308339 |
FMO2-MP2: Total energy | -172720.623379 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026436/ligand_interaction/ligand_F026436.png)
Ligand Interaction
![ligand interaction](./Kdata/F026436/ligand_interaction/ligand_interaction_F026436.png)
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:-5:ASN)
Summations of interaction energy for
fragment #1(B:-5: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. |
-4.249 | 1.317 | 1.215 | -2.775 | -4.007 | -0.006 |
Interaction energy analysis for fragmet #1(B:-5: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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | B | -3 | TYR | 0 | 0.015 | -0.001 | 2.693 | -5.819 | -0.253 | 1.215 | -2.775 | -4.007 | -0.006 |
4 | B | -2 | PHE | 0 | 0.012 | -0.011 | 5.495 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | -1 | GLN | 0 | -0.016 | -0.001 | 9.034 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 0 | GLY | 0 | 0.017 | 0.026 | 11.841 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 1 | MET | 0 | -0.008 | -0.011 | 14.292 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 2 | VAL | 0 | -0.011 | -0.004 | 16.861 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 3 | THR | 0 | 0.014 | 0.015 | 14.460 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 4 | LYS | 1 | 0.858 | 0.912 | 15.656 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 5 | ILE | 0 | -0.014 | 0.015 | 18.704 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 6 | ILE | 0 | -0.010 | -0.021 | 21.505 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 7 | TRP | 0 | -0.028 | 0.001 | 24.850 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 8 | VAL | 0 | 0.000 | 0.007 | 27.527 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 9 | SER | 0 | 0.007 | -0.009 | 30.203 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 10 | ASN | 0 | 0.014 | 0.016 | 31.646 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 11 | ASN | 0 | -0.004 | -0.016 | 35.239 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 12 | GLY | 0 | 0.020 | 0.022 | 38.276 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 13 | LYS | 1 | 0.867 | 0.943 | 38.100 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 14 | PRO | 0 | -0.011 | -0.006 | 34.091 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 15 | ASN | 0 | -0.007 | -0.035 | 31.438 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 16 | LEU | 0 | 0.036 | 0.010 | 26.137 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 17 | LYS | 1 | 0.849 | 0.921 | 23.201 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 18 | ILE | 0 | 0.003 | -0.006 | 22.172 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 19 | GLU | -1 | -0.835 | -0.899 | 19.159 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 20 | PHE | 0 | 0.007 | -0.021 | 17.978 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 21 | VAL | 0 | -0.001 | -0.007 | 12.569 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 22 | SER | 0 | 0.000 | -0.017 | 15.026 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 23 | GLU | -1 | -0.817 | -0.893 | 17.284 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 24 | GLU | -1 | -0.864 | -0.924 | 19.276 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 25 | GLU | -1 | -0.807 | -0.924 | 16.355 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 26 | LYS | 1 | 0.772 | 0.884 | 20.295 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 27 | SER | 0 | -0.043 | -0.035 | 22.496 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 28 | ASN | 0 | -0.039 | -0.020 | 22.255 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 29 | PHE | 0 | 0.048 | 0.024 | 23.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 30 | PHE | 0 | -0.010 | -0.017 | 25.085 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 31 | LYS | 1 | 0.880 | 0.938 | 28.073 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 32 | GLU | -1 | -0.824 | -0.900 | 25.774 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 33 | VAL | 0 | 0.017 | 0.008 | 27.753 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 34 | LYS | 1 | 0.853 | 0.940 | 30.513 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 35 | LYS | 1 | 0.906 | 0.964 | 33.106 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 36 | LYS | 1 | 0.893 | 0.946 | 32.330 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 37 | ALA | 0 | 0.022 | 0.001 | 34.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 38 | SER | 0 | -0.034 | -0.033 | 36.432 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 39 | GLU | -1 | -0.863 | -0.912 | 36.818 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 40 | LEU | 0 | -0.027 | -0.001 | 36.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 41 | GLY | 0 | 0.009 | 0.023 | 40.260 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 42 | LEU | 0 | -0.028 | -0.014 | 38.220 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 43 | ASN | 0 | -0.006 | -0.005 | 39.485 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 44 | PHE | 0 | 0.067 | 0.031 | 31.281 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 45 | PRO | 0 | 0.036 | 0.033 | 35.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 46 | LEU | 0 | -0.044 | -0.015 | 28.420 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 47 | VAL | 0 | 0.004 | -0.014 | 31.551 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 48 | GLN | 0 | -0.039 | -0.026 | 29.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 49 | GLY | 0 | 0.042 | 0.014 | 27.852 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 50 | SER | 0 | -0.011 | -0.007 | 26.308 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 51 | GLY | 0 | 0.030 | 0.018 | 23.563 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 52 | ASN | 0 | 0.071 | 0.052 | 17.777 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 53 | SER | 0 | 0.011 | -0.009 | 21.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 54 | LEU | 0 | -0.059 | -0.018 | 23.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 55 | LEU | 0 | 0.021 | 0.012 | 26.357 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 56 | ILE | 0 | -0.033 | -0.001 | 28.758 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 57 | GLU | -1 | -0.809 | -0.891 | 31.366 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 58 | ALA | 0 | 0.028 | 0.012 | 34.693 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 59 | SER | 0 | -0.053 | -0.042 | 37.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 60 | ASN | 0 | -0.048 | -0.028 | 39.734 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 61 | TYR | 0 | 0.031 | 0.052 | 43.220 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 62 | PRO | 0 | 0.010 | -0.014 | 45.550 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 63 | ILE | 0 | 0.003 | -0.001 | 46.562 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 64 | ASN | 0 | -0.021 | -0.038 | 40.516 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 65 | PRO | 0 | 0.027 | 0.022 | 42.210 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 66 | CYS | 0 | -0.049 | -0.012 | 37.714 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 67 | GLY | 0 | 0.019 | 0.013 | 35.374 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 68 | CYS | 0 | -0.065 | -0.015 | 32.566 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 69 | TYR | 0 | 0.033 | 0.007 | 35.155 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 70 | ILE | 0 | 0.012 | 0.007 | 36.540 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 71 | SER | 0 | -0.025 | -0.017 | 36.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 72 | PRO | 0 | 0.047 | 0.003 | 38.740 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 73 | GLY | 0 | 0.034 | 0.012 | 38.914 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 74 | GLY | 0 | -0.036 | -0.024 | 37.319 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 75 | LYS | 1 | 0.849 | 0.927 | 33.772 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 76 | LEU | 0 | 0.037 | 0.046 | 29.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 77 | ALA | 0 | 0.018 | 0.009 | 32.519 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 78 | ILE | 0 | 0.001 | -0.008 | 29.924 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 79 | ASN | 0 | 0.006 | 0.015 | 34.099 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 80 | PHE | 0 | 0.050 | -0.007 | 30.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 81 | GLY | 0 | 0.031 | 0.027 | 35.904 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 82 | LYS | 1 | 0.865 | 0.920 | 38.111 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 83 | VAL | 0 | 0.086 | 0.044 | 36.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 84 | GLU | -1 | -0.836 | -0.928 | 34.774 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 85 | LEU | 0 | -0.037 | -0.015 | 32.752 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 86 | SER | 0 | -0.015 | -0.010 | 31.416 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 87 | HIS | 0 | -0.024 | -0.024 | 29.770 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 88 | PHE | 0 | -0.014 | 0.000 | 29.055 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 89 | ILE | 0 | -0.014 | -0.007 | 26.944 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 90 | LEU | 0 | 0.005 | -0.001 | 25.338 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 91 | PRO | 0 | -0.011 | -0.004 | 23.389 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 92 | LYS | 1 | 0.836 | 0.921 | 21.580 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 93 | VAL | 0 | -0.030 | -0.016 | 20.570 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 94 | GLY | 0 | 0.019 | 0.015 | 19.640 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 95 | VAL | 0 | -0.035 | -0.011 | 20.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 96 | LYS | 1 | 0.976 | 0.972 | 19.777 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 97 | THR | 0 | 0.028 | -0.011 | 24.940 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 98 | GLU | -1 | -0.812 | -0.888 | 22.373 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 99 | HIS | 0 | 0.057 | 0.038 | 20.148 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 100 | ALA | 0 | 0.011 | -0.009 | 25.356 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 101 | GLU | -1 | -0.820 | -0.905 | 28.874 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 102 | ILE | 0 | -0.030 | -0.014 | 27.748 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 103 | PHE | 0 | 0.035 | 0.016 | 32.360 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 104 | LYS | 1 | 0.880 | 0.926 | 31.369 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 105 | ASP | -1 | -0.869 | -0.923 | 36.246 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 106 | HIS | 0 | 0.010 | 0.010 | 37.793 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 107 | ASN | 0 | -0.027 | -0.016 | 37.083 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 108 | THR | 0 | -0.065 | -0.032 | 36.248 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 109 | ILE | 0 | -0.028 | 0.001 | 30.193 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 110 | PHE | 0 | 0.000 | -0.011 | 33.272 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 111 | PHE | 0 | 0.025 | 0.023 | 25.654 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 112 | HIS | 0 | 0.012 | 0.016 | 27.635 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 113 | LYS | 1 | 0.962 | 0.973 | 29.476 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 114 | HIS | 0 | -0.044 | -0.019 | 27.787 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 115 | LYS | 1 | 0.795 | 0.893 | 23.007 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 116 | LEU | 0 | -0.033 | -0.007 | 25.409 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 117 | PRO | 0 | 0.008 | 0.011 | 27.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 118 | GLY | 0 | 0.045 | 0.018 | 30.052 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 119 | VAL | 0 | -0.025 | -0.013 | 30.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 120 | ASN | 0 | 0.020 | -0.001 | 28.441 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 121 | SER | 0 | -0.071 | -0.015 | 26.197 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 122 | GLU | -1 | -0.800 | -0.909 | 20.101 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 123 | LEU | 0 | -0.028 | -0.007 | 19.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 124 | THR | 0 | -0.005 | -0.013 | 14.951 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 125 | PHE | 0 | -0.026 | -0.017 | 15.423 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 126 | ILE | 0 | 0.000 | 0.013 | 10.026 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 127 | PRO | 0 | 0.011 | -0.015 | 8.244 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 128 | THR | 0 | -0.059 | -0.023 | 10.779 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 129 | GLY | 0 | 0.044 | 0.030 | 8.619 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 130 | THR | 0 | -0.048 | -0.042 | 7.479 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 131 | PRO | 0 | -0.022 | -0.004 | 7.822 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 132 | VAL | 0 | 0.025 | 0.022 | 6.125 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 133 | ILE | 0 | -0.005 | 0.001 | 8.264 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 134 | VAL | 0 | 0.001 | 0.011 | 7.592 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 225 | CYM | -1 | -0.772 | -0.793 | 60.547 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 226 | TYR | 0 | 0.009 | -0.013 | 55.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 227 | ILE | 0 | -0.031 | -0.015 | 55.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 228 | SER | 0 | -0.001 | 0.001 | 55.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 298 | ASP | -1 | -0.761 | -0.886 | 41.783 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 299 | TYR | 0 | -0.022 | -0.030 | 37.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 300 | LEU | 0 | 0.001 | 0.007 | 38.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 301 | LEU | 0 | 0.003 | 0.014 | 37.042 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 302 | SER | 0 | -0.076 | -0.036 | 35.168 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 303 | ALA | 0 | 0.040 | 0.010 | 30.089 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 304 | ASN | 0 | -0.035 | -0.035 | 32.095 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 305 | GLY | 0 | 0.017 | 0.012 | 33.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 306 | SER | 0 | 0.043 | 0.019 | 32.812 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 307 | LYS | 1 | 0.898 | 0.954 | 27.368 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 308 | ALA | 0 | -0.029 | -0.008 | 32.652 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 309 | ILE | 0 | 0.002 | -0.001 | 35.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 310 | ASP | -1 | -0.876 | -0.938 | 32.284 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 311 | PHE | 0 | -0.046 | -0.014 | 33.680 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 312 | VAL | 0 | 0.005 | -0.002 | 35.211 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 313 | TRP | 0 | 0.046 | 0.027 | 36.302 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 314 | SER | 0 | -0.057 | -0.038 | 34.473 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 315 | ASN | 0 | -0.019 | -0.023 | 34.185 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 316 | PHE | 0 | -0.025 | -0.008 | 37.701 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 317 | LEU | 0 | -0.011 | -0.010 | 41.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 318 | LYS | 1 | 0.927 | 0.992 | 35.371 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 319 | HIS | 0 | -0.034 | -0.004 | 38.238 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 320 | PRO | 0 | 0.008 | -0.013 | 43.203 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 321 | TYR | 0 | -0.039 | -0.034 | 46.684 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 322 | ASN | 0 | 0.024 | 0.001 | 48.832 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 323 | PRO | 0 | -0.006 | -0.016 | 49.264 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 324 | LYS | 1 | 0.922 | 0.959 | 51.323 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 325 | LEU | 0 | 0.010 | 0.002 | 51.891 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 326 | LYS | 1 | 0.917 | 0.977 | 54.068 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 327 | GLN | 0 | 0.013 | 0.007 | 56.517 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 328 | PRO | 0 | 0.032 | 0.024 | 58.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 329 | ASP | -1 | -0.813 | -0.878 | 60.140 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 330 | ALA | 0 | 0.046 | -0.003 | 61.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 331 | ASN | 0 | 0.003 | 0.000 | 63.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 332 | VAL | 0 | -0.005 | -0.012 | 62.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 333 | LYS | 1 | 0.814 | 0.914 | 63.035 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 334 | ALA | 0 | 0.051 | 0.038 | 66.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 335 | ALA | 0 | -0.049 | -0.026 | 68.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 336 | TRP | 0 | -0.025 | -0.031 | 62.948 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 337 | GLU | -1 | -0.863 | -0.932 | 69.166 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 338 | LYS | 1 | 0.907 | 0.972 | 71.884 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 339 | HIS | 1 | 0.800 | 0.910 | 71.391 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 340 | ALA | 0 | 0.042 | 0.018 | 73.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 341 | ASP | -1 | -0.882 | -0.945 | 74.350 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 342 | TRP | 0 | -0.094 | -0.052 | 68.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 343 | GLU | -1 | -0.831 | -0.894 | 67.293 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 344 | HIS | 0 | 0.039 | 0.017 | 67.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 345 | TRP | 0 | 0.009 | -0.025 | 63.244 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 346 | SER | 0 | 0.046 | 0.009 | 62.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 347 | ASN | 0 | -0.059 | -0.036 | 62.178 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 348 | MET | 0 | -0.122 | -0.046 | 57.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 349 | GLY | 0 | 0.025 | -0.005 | 57.509 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 350 | GLN | 0 | -0.047 | -0.002 | 58.163 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 351 | ASP | -1 | -0.811 | -0.883 | 55.787 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 352 | TRP | 0 | -0.009 | 0.003 | 51.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 353 | SER | 0 | -0.036 | -0.041 | 51.337 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 354 | LEU | 0 | 0.003 | 0.009 | 51.562 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 355 | ASN | 0 | -0.003 | 0.007 | 51.331 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 356 | THR | 0 | -0.005 | -0.013 | 49.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 357 | PRO | 0 | 0.004 | -0.012 | 49.988 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 358 | SER | 0 | -0.018 | 0.002 | 45.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 359 | GLY | 0 | 0.038 | 0.027 | 45.078 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 360 | LEU | 0 | -0.050 | -0.009 | 46.874 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 361 | VAL | 0 | 0.015 | 0.005 | 46.914 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 362 | PRO | 0 | 0.005 | 0.010 | 44.986 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 363 | ARG | 1 | 0.882 | 0.935 | 45.848 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 364 | PRO | 0 | -0.006 | 0.014 | 50.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 365 | ASN | 0 | 0.033 | 0.005 | 51.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 366 | HIS | 1 | 0.737 | 0.850 | 50.430 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 367 | GLY | 0 | 0.134 | 0.079 | 47.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 368 | ILE | 0 | 0.012 | 0.012 | 41.064 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 369 | ALA | 0 | 0.079 | 0.038 | 44.764 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 370 | HIS | 0 | -0.041 | -0.029 | 47.323 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 371 | THR | 0 | -0.018 | -0.022 | 43.921 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 372 | LEU | 0 | 0.019 | -0.006 | 41.224 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 373 | ARG | 1 | 0.730 | 0.838 | 45.330 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 374 | VAL | 0 | -0.007 | -0.002 | 48.269 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 375 | ALA | 0 | 0.013 | 0.009 | 44.569 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 376 | GLN | 0 | 0.002 | -0.001 | 44.923 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 377 | LEU | 0 | 0.020 | 0.005 | 47.396 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 378 | VAL | 0 | -0.012 | 0.006 | 48.154 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 379 | PRO | 0 | -0.006 | -0.015 | 46.574 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 380 | VAL | 0 | 0.009 | 0.015 | 49.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 381 | ILE | 0 | 0.005 | 0.002 | 52.394 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 382 | ALA | 0 | 0.005 | -0.002 | 51.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 383 | GLU | -1 | -0.777 | -0.880 | 51.945 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 384 | PHE | 0 | 0.023 | 0.004 | 54.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 385 | LEU | 0 | -0.016 | -0.004 | 56.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 386 | LYS | 1 | 0.753 | 0.893 | 51.065 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 387 | ALA | 0 | -0.026 | -0.001 | 58.090 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 388 | TYR | 0 | -0.027 | -0.032 | 60.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 389 | SER | 0 | -0.012 | -0.011 | 60.796 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 390 | GLY | 0 | 0.001 | 0.009 | 63.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 391 | ASP | -1 | -0.794 | -0.890 | 61.202 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 392 | PRO | 0 | 0.031 | 0.007 | 60.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 393 | LYS | 1 | 0.796 | 0.884 | 57.704 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 394 | PHE | 0 | 0.001 | -0.011 | 56.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 395 | GLN | 0 | -0.001 | 0.003 | 55.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 396 | LYS | 1 | 0.877 | 0.942 | 55.066 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 397 | LEU | 0 | -0.011 | 0.022 | 50.955 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 398 | THR | 0 | -0.014 | -0.044 | 47.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 399 | GLN | 0 | 0.013 | -0.015 | 42.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 400 | LYS | 1 | 0.957 | 0.974 | 38.676 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 401 | GLU | -1 | -0.826 | -0.880 | 44.184 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 402 | ILE | 0 | 0.017 | 0.015 | 46.866 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 403 | GLN | 0 | -0.019 | -0.004 | 39.800 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 404 | LYS | 1 | 0.824 | 0.900 | 42.133 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 405 | ALA | 0 | 0.025 | 0.016 | 43.712 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 406 | GLN | 0 | -0.030 | -0.027 | 43.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 407 | TYR | 0 | -0.020 | -0.020 | 36.420 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 408 | MET | 0 | -0.005 | -0.004 | 42.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 409 | MET | 0 | -0.001 | 0.019 | 44.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 410 | LEU | 0 | -0.011 | 0.013 | 39.458 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 411 | PHE | 0 | -0.018 | -0.022 | 37.760 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 412 | SER | 0 | -0.002 | -0.001 | 43.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 413 | VAL | 0 | 0.019 | -0.004 | 46.754 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 414 | ILE | 0 | -0.032 | -0.004 | 41.457 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 415 | GLY | 0 | 0.011 | 0.015 | 44.981 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 416 | ARG | 1 | 0.771 | 0.880 | 46.903 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 417 | GLU | -1 | -0.832 | -0.899 | 48.092 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 418 | ASN | 0 | -0.004 | -0.051 | 50.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 419 | ASP | -1 | -0.726 | -0.803 | 53.362 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 420 | MET | 0 | 0.016 | 0.075 | 55.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 421 | SER | 0 | 0.010 | -0.008 | 57.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 422 | TRP | 0 | 0.050 | 0.012 | 57.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 423 | THR | 0 | 0.004 | -0.013 | 60.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 424 | ASP | -1 | -0.785 | -0.866 | 61.325 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 425 | ALA | 0 | -0.013 | -0.004 | 58.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 426 | ASN | 0 | 0.022 | 0.014 | 60.730 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 427 | HIS | 1 | 0.878 | 0.951 | 63.672 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 428 | TYR | 0 | 0.075 | 0.031 | 58.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 429 | GLN | 0 | -0.037 | -0.019 | 60.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 430 | GLN | 0 | -0.064 | -0.039 | 62.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 431 | ALA | 0 | 0.029 | 0.008 | 65.330 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 432 | PHE | 0 | 0.000 | -0.011 | 59.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 433 | LYS | 1 | 0.878 | 0.946 | 64.104 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 434 | GLU | -1 | -0.854 | -0.916 | 66.236 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 435 | ALA | 0 | -0.016 | -0.003 | 66.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 436 | TYR | 0 | -0.067 | -0.038 | 61.818 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 437 | ASN | 0 | -0.022 | -0.014 | 65.789 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 438 | GLY | 0 | 0.019 | 0.014 | 67.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 439 | GLN | 0 | -0.032 | 0.001 | 59.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 440 | TYR | 0 | 0.012 | -0.004 | 57.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 441 | SER | 0 | 0.001 | 0.004 | 58.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 442 | LYS | 1 | 0.905 | 0.954 | 50.264 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 443 | HIS | 0 | 0.053 | 0.024 | 56.811 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 444 | ILE | 0 | 0.072 | 0.025 | 54.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 445 | TYR | 0 | 0.017 | -0.016 | 53.624 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 446 | ALA | 0 | -0.007 | 0.005 | 53.129 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 447 | THR | 0 | -0.022 | -0.018 | 49.662 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 448 | PHE | 0 | 0.008 | 0.007 | 49.126 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 449 | LYS | 1 | 0.891 | 0.945 | 48.298 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 450 | GLU | -1 | -0.823 | -0.901 | 46.206 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 451 | ASN | 0 | -0.076 | -0.047 | 44.729 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 452 | ALA | 0 | 0.028 | 0.004 | 43.399 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 453 | GLN | 0 | -0.032 | -0.025 | 42.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 454 | LYS | 1 | 0.876 | 0.938 | 40.827 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 455 | GLY | 0 | 0.015 | 0.006 | 38.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 456 | PHE | 0 | 0.004 | -0.007 | 37.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 457 | LEU | 0 | 0.024 | -0.001 | 37.946 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 458 | ASN | 0 | -0.009 | 0.007 | 33.601 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 459 | HIS | 0 | 0.004 | 0.011 | 33.055 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 460 | VAL | 0 | 0.025 | 0.006 | 33.304 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 461 | VAL | 0 | -0.044 | -0.033 | 32.530 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 462 | THR | 0 | -0.034 | -0.005 | 28.260 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 463 | ASN | 0 | -0.030 | -0.016 | 28.590 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 464 | LYS | 1 | 0.921 | 0.946 | 30.405 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 465 | SER | 0 | -0.021 | -0.011 | 26.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 466 | SER | 0 | 0.065 | 0.030 | 28.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 467 | LEU | 0 | 0.014 | 0.025 | 30.588 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 468 | ILE | 0 | -0.018 | 0.066 | 33.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 469 | PRO | 0 | -0.014 | -0.031 | 33.080 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 470 | SER | 0 | -0.088 | -0.057 | 33.696 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 471 | LEU | 0 | -0.036 | -0.013 | 36.006 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 472 | PHE | 0 | 0.003 | -0.024 | 37.937 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 473 | SER | 0 | -0.031 | -0.030 | 38.589 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 474 | ASP | -1 | -0.782 | -0.880 | 38.745 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 475 | GLU | -1 | -0.777 | -0.897 | 35.601 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 476 | SER | 0 | 0.005 | -0.010 | 39.591 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 477 | GLU | -1 | -0.829 | -0.884 | 42.426 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 478 | LEU | 0 | -0.018 | -0.023 | 36.900 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 479 | GLN | 0 | -0.052 | -0.035 | 41.622 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 480 | TYR | 0 | 0.015 | 0.011 | 43.863 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 481 | TRP | 0 | 0.020 | -0.019 | 43.821 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 482 | ALA | 0 | -0.001 | 0.008 | 42.617 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 483 | GLU | -1 | -0.881 | -0.914 | 44.533 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 484 | ALA | 0 | -0.025 | -0.009 | 48.043 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 485 | LEU | 0 | -0.044 | -0.010 | 43.953 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 486 | ASP | -1 | -0.823 | -0.903 | 47.989 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 487 | THR | 0 | -0.047 | -0.024 | 49.742 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 488 | GLY | 0 | -0.025 | -0.020 | 50.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 489 | LYS | 1 | 0.797 | 0.884 | 52.089 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 490 | PRO | 0 | 0.019 | 0.013 | 50.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 491 | GLY | 0 | 0.024 | 0.016 | 52.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 492 | ILE | 0 | -0.022 | -0.023 | 51.054 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 493 | SER | 0 | -0.026 | 0.006 | 55.382 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 494 | SER | 0 | 0.021 | 0.008 | 53.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 495 | ALA | 0 | 0.054 | 0.021 | 54.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 496 | SER | 0 | 0.054 | 0.014 | 50.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 497 | GLY | 0 | 0.036 | 0.012 | 52.174 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 498 | ILE | 0 | 0.006 | -0.004 | 53.815 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 499 | LEU | 0 | -0.015 | 0.010 | 50.948 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 500 | MET | 0 | -0.020 | -0.013 | 47.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 501 | ALA | 0 | -0.008 | -0.004 | 52.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 502 | LEU | 0 | 0.047 | 0.014 | 55.342 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 503 | ALA | 0 | -0.025 | -0.007 | 51.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 504 | HIS | 0 | 0.000 | 0.004 | 52.721 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 505 | ASP | -1 | -0.781 | -0.881 | 54.417 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 506 | LEU | 0 | 0.040 | 0.014 | 56.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 507 | ASP | -1 | -0.706 | -0.829 | 53.363 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 508 | LEU | 0 | -0.028 | -0.005 | 55.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 509 | MET | 0 | -0.057 | 0.004 | 58.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 510 | ARG | 1 | 0.859 | 0.916 | 53.778 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 511 | CYS | 0 | -0.042 | -0.022 | 58.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 512 | TYR | 0 | -0.110 | -0.143 | 60.434 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 513 | ASP | -1 | -0.764 | -0.877 | 63.511 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 514 | LYS | 1 | 0.914 | 0.948 | 66.748 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 515 | GLY | 0 | 0.013 | 0.024 | 68.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 516 | LYS | 1 | 0.915 | 0.973 | 64.202 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 517 | PHE | 0 | -0.005 | -0.015 | 60.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 518 | ASN | 0 | -0.004 | -0.007 | 65.663 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 519 | SER | 0 | -0.045 | -0.056 | 68.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 520 | LEU | 0 | -0.003 | -0.006 | 65.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 521 | LYS | 1 | 0.838 | 0.930 | 60.747 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 522 | MET | 0 | -0.015 | 0.004 | 63.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 523 | LYS | 1 | 0.954 | 0.982 | 65.594 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 524 | ASP | -1 | -0.856 | -0.901 | 63.379 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 525 | LEU | 0 | 0.015 | -0.005 | 60.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 526 | VAL | 0 | 0.031 | 0.007 | 63.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 527 | ALA | 0 | -0.020 | 0.006 | 66.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 528 | ARG | 1 | 0.831 | 0.905 | 61.048 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 529 | LEU | 0 | -0.055 | -0.026 | 60.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 530 | GLY | 0 | 0.058 | 0.027 | 64.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 531 | GLY | 0 | -0.030 | -0.013 | 67.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 532 | ASN | 0 | -0.015 | -0.001 | 66.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 533 | GLU | -1 | -0.883 | -0.962 | 66.674 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 534 | ASP | -1 | -0.899 | -0.940 | 67.082 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 535 | ALA | 0 | -0.066 | -0.029 | 62.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 536 | ALA | 0 | 0.043 | 0.003 | 62.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 537 | LYS | 1 | 0.860 | 0.913 | 62.581 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 538 | LYS | 1 | 0.890 | 0.952 | 59.971 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 539 | LEU | 0 | -0.013 | -0.001 | 56.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 540 | ALA | 0 | 0.017 | -0.008 | 58.007 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 541 | ASP | -1 | -0.793 | -0.862 | 59.568 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 542 | TYR | 0 | 0.033 | 0.025 | 50.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 543 | ALA | 0 | 0.010 | 0.001 | 54.765 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 544 | HIS | 1 | 0.837 | 0.894 | 55.506 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 545 | ASP | -1 | -0.855 | -0.919 | 55.521 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 546 | LEU | 0 | -0.026 | -0.007 | 49.699 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 547 | ILE | 0 | 0.001 | -0.013 | 51.868 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 548 | VAL | 0 | -0.007 | -0.004 | 53.922 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 549 | ALA | 0 | -0.020 | 0.005 | 50.582 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 550 | THR | 0 | -0.022 | -0.021 | 48.112 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 551 | GLY | 0 | -0.011 | -0.019 | 50.433 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 552 | ASP | -1 | -0.792 | -0.874 | 52.614 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 553 | ARG | 1 | 0.781 | 0.889 | 54.375 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 554 | CYS | 0 | -0.045 | -0.030 | 57.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 555 | MET | 0 | 0.011 | 0.013 | 60.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 556 | GLY | 0 | -0.002 | -0.002 | 62.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 557 | TYR | 0 | -0.067 | -0.091 | 61.974 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 558 | GLY | 0 | 0.029 | 0.024 | 63.439 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 559 | VAL | 0 | 0.001 | -0.003 | 63.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 560 | THR | 0 | -0.001 | 0.009 | 62.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 561 | GLN | 0 | -0.044 | -0.027 | 57.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 562 | ASP | -1 | -0.771 | -0.866 | 60.455 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 563 | TYR | 0 | -0.008 | -0.019 | 53.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 564 | ASN | 0 | -0.005 | 0.013 | 54.303 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 565 | TYR | 0 | 0.011 | -0.035 | 53.362 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 566 | SER | 0 | 0.010 | -0.009 | 51.105 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 567 | LEU | 0 | -0.020 | 0.002 | 48.977 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 568 | PHE | 0 | 0.046 | 0.026 | 48.868 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 569 | GLY | 0 | 0.010 | 0.005 | 48.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 570 | LYS | 1 | 0.928 | 0.959 | 45.059 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 571 | CYS | 0 | -0.039 | -0.001 | 43.956 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 572 | SER | 0 | -0.037 | -0.036 | 44.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 573 | LEU | 0 | -0.054 | -0.029 | 42.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 574 | ASP | -1 | -0.828 | -0.918 | 38.555 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 575 | PRO | 0 | 0.028 | 0.017 | 38.083 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 576 | ASN | 0 | 0.001 | 0.003 | 36.052 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 577 | GLU | -1 | -0.843 | -0.900 | 38.720 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 578 | CYS | 0 | -0.032 | -0.019 | 41.781 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 579 | LEU | 0 | -0.034 | -0.016 | 39.014 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 580 | LYS | 1 | 0.873 | 0.929 | 39.021 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 581 | GLN | 0 | -0.031 | -0.012 | 43.079 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 582 | LEU | 0 | -0.027 | -0.001 | 45.213 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 583 | GLN | 0 | -0.037 | -0.026 | 40.807 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 584 | SER | 0 | -0.074 | -0.032 | 46.022 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 585 | ILE | 0 | -0.014 | 0.000 | 48.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 586 | PRO | 0 | 0.005 | -0.002 | 50.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 587 | LYS | 1 | 0.889 | 0.944 | 46.901 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 588 | PRO | 0 | -0.022 | -0.001 | 52.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 589 | GLU | -1 | -0.832 | -0.893 | 55.702 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 590 | THR | 0 | -0.070 | -0.048 | 57.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |