FMODB ID: 5NN9Z
Calculation Name: 3HWC-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3HWC
Chain ID: A
UniProt ID: O87009
Base Structure: X-ray
Registration Date: 2023-09-27
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 | OptH |
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 | 482 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9370633.936146 |
---|---|
FMO2-HF: Nuclear repulsion | 9180980.227908 |
FMO2-HF: Total energy | -189653.708238 |
FMO2-MP2: Total energy | -190211.557655 |
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(A:3001:MET)
Summations of interaction energy for
fragment #1(A:3001:MET)
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. |
-20.036 | -8.737 | 10.049 | -6.377 | -14.969 | -0.037 |
Interaction energy analysis for fragmet #1(A:3001:MET)
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 | A | 3003 | THR | 0 | -0.022 | -0.007 | 3.793 | -0.736 | 0.412 | -0.012 | -0.441 | -0.695 | 0.002 |
4 | A | 3004 | GLY | 0 | 0.091 | 0.025 | 6.389 | 0.707 | 0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 3005 | LYS | 1 | 0.895 | 0.954 | 9.178 | 1.376 | 1.376 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 3006 | GLN | 0 | 0.056 | 0.016 | 5.918 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 3007 | TYR | 0 | -0.058 | -0.039 | 9.179 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 3008 | LEU | 0 | 0.034 | 0.014 | 10.579 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 3009 | GLU | -1 | -0.952 | -0.981 | 13.433 | -0.879 | -0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 3010 | SER | 0 | -0.106 | -0.066 | 12.131 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 3011 | LEU | 0 | -0.011 | -0.008 | 14.208 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 3012 | ASN | 0 | -0.066 | -0.010 | 16.737 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 3013 | ASP | -1 | -0.797 | -0.892 | 18.091 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 3014 | GLY | 0 | -0.004 | -0.007 | 20.413 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 3015 | ARG | 1 | 0.792 | 0.882 | 16.340 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 3016 | VAL | 0 | 0.005 | 0.009 | 23.310 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 3017 | VAL | 0 | -0.007 | -0.022 | 22.920 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 3018 | TRP | 0 | 0.009 | 0.020 | 26.341 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 3019 | VAL | 0 | -0.014 | -0.016 | 26.280 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 3020 | GLY | 0 | 0.024 | 0.018 | 29.288 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 3021 | ASN | 0 | -0.045 | -0.042 | 32.872 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 3022 | GLU | -1 | -0.940 | -0.953 | 31.053 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 3023 | LYN | 0 | -0.015 | 0.011 | 26.898 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 3024 | ILE | 0 | -0.071 | -0.047 | 24.421 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 3025 | ASP | -1 | -0.872 | -0.920 | 26.265 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 3026 | ASN | 0 | 0.056 | 0.001 | 19.827 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 3027 | VAL | 0 | 0.020 | 0.015 | 19.039 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 3028 | ALA | 0 | -0.003 | 0.018 | 17.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 3029 | THR | 0 | 0.004 | -0.012 | 18.984 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 3030 | HIS | 0 | 0.052 | 0.047 | 22.008 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 3031 | PRO | 0 | -0.017 | -0.020 | 24.097 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 3032 | LEU | 0 | 0.024 | 0.020 | 26.086 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 3033 | THR | 0 | -0.040 | -0.059 | 21.847 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 3034 | ARG | 1 | 0.949 | 0.988 | 20.110 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 3035 | ASP | -1 | -0.841 | -0.912 | 18.882 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 3036 | TYR | 0 | -0.054 | -0.060 | 17.119 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 3037 | ALA | 0 | 0.004 | 0.008 | 16.172 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 3038 | GLU | -1 | -0.917 | -0.972 | 14.413 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 3039 | ARG | 1 | 0.841 | 0.931 | 14.032 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 3040 | VAL | 0 | -0.011 | -0.001 | 10.987 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 3041 | ALA | 0 | 0.003 | 0.006 | 9.962 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 3042 | GLN | 0 | 0.041 | 0.024 | 9.279 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 3043 | PHE | 0 | -0.010 | -0.009 | 7.324 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 3044 | TYR | 0 | 0.005 | 0.008 | 4.540 | 0.260 | 0.415 | -0.001 | -0.008 | -0.145 | 0.000 |
45 | A | 3045 | ASP | -1 | -0.830 | -0.916 | 4.938 | -3.010 | -2.972 | -0.001 | -0.003 | -0.034 | 0.000 |
46 | A | 3046 | LEU | 0 | -0.042 | -0.015 | 6.351 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 3047 | HIS | 0 | 0.003 | 0.010 | 3.103 | 0.154 | 0.877 | 1.301 | -0.488 | -1.535 | 0.001 |
48 | A | 3048 | HIS | 0 | -0.065 | -0.028 | 2.562 | -6.022 | -2.366 | 2.851 | -2.090 | -4.417 | -0.022 |
49 | A | 3049 | ARG | 1 | 0.825 | 0.902 | 3.883 | 1.102 | 1.176 | 0.004 | 0.020 | -0.097 | 0.000 |
50 | A | 3050 | PRO | 0 | 0.003 | 0.002 | 6.500 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 3051 | ASP | -1 | -0.824 | -0.898 | 7.808 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 3052 | LEU | 0 | 0.014 | 0.003 | 7.552 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 3053 | GLN | 0 | -0.012 | 0.006 | 4.846 | 0.756 | 0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 3054 | ASP | -1 | -0.885 | -0.929 | 6.230 | 1.491 | 1.491 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 3055 | VAL | 0 | -0.036 | -0.021 | 9.321 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 3056 | LEU | 0 | 0.034 | 0.015 | 5.836 | 0.125 | 0.170 | -0.001 | -0.003 | -0.040 | 0.000 |
57 | A | 3057 | THR | 0 | -0.049 | -0.026 | 2.449 | 0.395 | 0.362 | 2.626 | -0.581 | -2.013 | 0.003 |
58 | A | 3058 | PHE | 0 | -0.053 | -0.035 | 5.281 | -1.850 | -1.787 | -0.001 | -0.031 | -0.031 | 0.000 |
59 | A | 3059 | VAL | 0 | -0.012 | -0.006 | 6.647 | 0.860 | 0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 3060 | ASP | -1 | -0.810 | -0.894 | 7.800 | 1.825 | 1.825 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 3061 | ALA | 0 | -0.036 | -0.033 | 9.682 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 3062 | ASP | -1 | -0.804 | -0.895 | 9.769 | 1.735 | 1.735 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 3063 | GLY | 0 | -0.026 | -0.011 | 11.150 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 3064 | VAL | 0 | -0.010 | 0.003 | 5.083 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 3065 | ARG | 1 | 0.882 | 0.945 | 3.638 | -2.936 | -2.107 | 0.205 | -0.229 | -0.805 | 0.003 |
66 | A | 3066 | ARG | 1 | 0.864 | 0.912 | 2.283 | -5.576 | -3.885 | 2.158 | -1.502 | -2.348 | -0.007 |
67 | A | 3067 | SER | 0 | 0.062 | 0.018 | 2.785 | 0.291 | 0.709 | 0.520 | 0.511 | -1.449 | -0.003 |
68 | A | 3068 | ARG | 1 | 0.836 | 0.906 | 4.444 | -3.123 | -3.033 | 0.011 | 0.005 | -0.106 | 0.000 |
69 | A | 3069 | GLN | 0 | 0.062 | 0.033 | 6.633 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 3070 | TRP | 0 | -0.032 | -0.014 | 4.986 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 3071 | GLN | 0 | -0.036 | -0.004 | 9.047 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 3072 | ASP | -1 | -0.851 | -0.910 | 11.035 | 0.871 | 0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 3073 | PRO | 0 | -0.011 | -0.002 | 14.795 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 3074 | LYS | 1 | 0.963 | 0.970 | 15.849 | -0.919 | -0.919 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 3075 | ASP | -1 | -0.849 | -0.932 | 20.621 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 3076 | ALA | 0 | 0.065 | 0.039 | 21.424 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 3077 | ALA | 0 | -0.010 | -0.003 | 21.158 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 3078 | GLY | 0 | 0.005 | 0.001 | 17.759 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 3079 | LEU | 0 | 0.000 | -0.010 | 17.033 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 3080 | ARG | 1 | 0.923 | 0.964 | 18.208 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 3081 | VAL | 0 | -0.048 | -0.009 | 13.239 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 3082 | LYS | 1 | 0.910 | 0.970 | 13.636 | -0.821 | -0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 3083 | ARG | 1 | 0.774 | 0.850 | 14.307 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 3084 | LYS | 1 | 0.965 | 0.986 | 14.792 | -0.541 | -0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 3085 | TYR | 0 | -0.032 | -0.019 | 7.437 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 3086 | HIS | 0 | -0.009 | -0.020 | 12.271 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 3087 | GLU | -1 | -0.865 | -0.942 | 14.232 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 3088 | THR | 0 | -0.041 | -0.031 | 11.740 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 3089 | ILE | 0 | 0.006 | 0.016 | 9.153 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 3090 | LEU | 0 | -0.026 | -0.024 | 13.131 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 3091 | ARG | 1 | 0.770 | 0.860 | 16.747 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 3092 | GLU | -1 | -0.927 | -0.950 | 12.751 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 3093 | ILE | 0 | -0.037 | -0.004 | 11.840 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 3094 | ALA | 0 | 0.026 | 0.016 | 16.373 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 3095 | ALA | 0 | 0.008 | 0.008 | 20.035 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 3096 | GLY | 0 | 0.055 | 0.037 | 19.164 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 3097 | SER | 0 | -0.078 | -0.063 | 20.226 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 3098 | TYR | 0 | -0.110 | -0.052 | 17.243 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 3099 | GLY | 0 | -0.032 | -0.029 | 18.401 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 3100 | ARG | 1 | 0.866 | 0.926 | 17.647 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 3101 | LEU | 0 | 0.059 | 0.040 | 12.682 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 3102 | PRO | 0 | 0.039 | 0.020 | 9.851 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 3103 | ASP | -1 | -0.843 | -0.923 | 10.351 | 0.785 | 0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 3104 | ALA | 0 | -0.052 | -0.006 | 11.887 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 3105 | HIS | 0 | 0.003 | -0.018 | 14.040 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 3106 | ASN | 0 | 0.015 | 0.016 | 9.806 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 3107 | TYR | 0 | 0.008 | -0.024 | 12.594 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 3108 | THR | 0 | -0.036 | -0.008 | 14.499 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 3109 | PHE | 0 | 0.052 | 0.019 | 15.274 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 3110 | THR | 0 | -0.053 | -0.034 | 15.003 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 3111 | THR | 0 | -0.023 | -0.022 | 17.504 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 3112 | TYR | 0 | -0.050 | -0.040 | 19.411 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 3113 | ALA | 0 | 0.003 | 0.000 | 17.891 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 3114 | ASP | -1 | -0.911 | -0.956 | 20.000 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 3115 | ASP | -1 | -0.946 | -0.979 | 22.584 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 3116 | PRO | 0 | 0.036 | 0.022 | 22.236 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 3117 | GLU | -1 | -0.835 | -0.927 | 24.632 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 3118 | VAL | 0 | -0.087 | -0.034 | 27.744 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 3119 | TRP | 0 | 0.016 | -0.006 | 25.143 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 3120 | GLU | -1 | -0.791 | -0.902 | 27.640 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 3121 | LYS | 1 | 0.889 | 0.963 | 29.701 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 3122 | GLN | 0 | -0.043 | -0.010 | 32.191 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 3123 | SER | 0 | 0.014 | 0.000 | 30.764 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 3124 | ILE | 0 | -0.059 | -0.029 | 33.315 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 3125 | GLY | 0 | -0.032 | -0.022 | 36.011 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 3126 | ALA | 0 | 0.049 | 0.014 | 31.731 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 3127 | GLU | -1 | -0.953 | -0.975 | 33.136 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 3128 | GLY | 0 | 0.012 | 0.001 | 33.974 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 3129 | ARG | 1 | 0.897 | 0.966 | 29.908 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 3130 | ASN | 0 | -0.015 | -0.003 | 26.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 3131 | LEU | 0 | 0.049 | 0.026 | 26.036 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 3132 | THR | 0 | 0.002 | 0.009 | 24.405 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 3133 | GLN | 0 | -0.012 | -0.027 | 22.310 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 3134 | ASN | 0 | 0.038 | 0.045 | 21.266 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 3135 | ILE | 0 | -0.039 | -0.013 | 19.964 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 3136 | HIS | 0 | -0.042 | -0.028 | 18.325 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 3137 | ASN | 0 | 0.040 | 0.014 | 16.853 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 3138 | PHE | 0 | 0.040 | 0.022 | 14.966 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 3139 | LEU | 0 | -0.006 | 0.001 | 13.831 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 3140 | LYS | 1 | 0.906 | 0.952 | 12.292 | -0.903 | -0.903 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 3141 | LEU | 0 | 0.045 | 0.031 | 10.758 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 3142 | LEU | 0 | -0.043 | -0.029 | 9.855 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 3143 | ARG | 1 | 0.878 | 0.946 | 7.721 | -1.763 | -1.763 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 3144 | GLU | -1 | -1.014 | -0.999 | 6.050 | 1.978 | 1.978 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 3145 | LYS | 1 | 0.897 | 0.944 | 5.966 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 3146 | ASP | -1 | -0.847 | -0.923 | 2.896 | -3.528 | -1.126 | 0.389 | -1.537 | -1.254 | -0.014 |
147 | A | 3147 | LEU | 0 | -0.057 | -0.023 | 5.605 | -0.660 | -0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 3148 | ASN | 0 | 0.019 | 0.000 | 9.037 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 3149 | CYS | 0 | -0.068 | -0.014 | 11.411 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 3150 | PRO | 0 | 0.034 | 0.034 | 14.637 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 3151 | LEU | 0 | -0.020 | -0.005 | 17.534 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 3152 | ASN | 0 | -0.015 | -0.028 | 20.706 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 3153 | PHE | 0 | -0.006 | -0.001 | 22.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 3154 | VAL | 0 | -0.008 | 0.006 | 26.434 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 3155 | ASP | -1 | -0.846 | -0.918 | 29.242 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 3156 | PRO | 0 | -0.027 | -0.028 | 32.537 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 3157 | GLN | 0 | 0.020 | 0.017 | 35.408 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 3158 | THR | 0 | -0.010 | -0.006 | 38.001 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 3159 | ASP | -1 | -0.885 | -0.924 | 40.613 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 3160 | ARG | 1 | 0.837 | 0.900 | 43.595 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 3161 | SER | 0 | 0.005 | -0.006 | 45.371 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 3162 | SER | 0 | 0.005 | 0.001 | 48.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 3163 | ASP | -1 | -0.854 | -0.942 | 49.813 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 3164 | ALA | 0 | -0.046 | -0.005 | 45.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 3165 | ALA | 0 | -0.022 | -0.025 | 46.368 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 3166 | GLN | 0 | 0.000 | 0.017 | 48.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 3167 | ALA | 0 | 0.006 | 0.020 | 46.833 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 3168 | ARG | 1 | 0.928 | 0.964 | 39.045 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 3169 | SER | 0 | 0.021 | 0.009 | 39.696 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 3170 | PRO | 0 | 0.018 | -0.007 | 36.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 3171 | ASN | 0 | 0.021 | 0.008 | 34.819 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 3172 | LEU | 0 | 0.023 | 0.040 | 28.900 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 3173 | ARG | 1 | 0.844 | 0.921 | 33.093 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 3174 | ILE | 0 | -0.003 | -0.011 | 32.887 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 3175 | VAL | 0 | -0.064 | -0.026 | 35.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 3176 | GLU | -1 | -0.910 | -0.961 | 36.185 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 3177 | LYS | 1 | 0.890 | 0.951 | 34.545 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 3178 | THR | 0 | 0.049 | 0.027 | 34.107 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 3179 | ASP | -1 | -0.895 | -0.956 | 34.727 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 3180 | ASP | -1 | -0.884 | -0.933 | 31.176 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 3181 | GLY | 0 | 0.009 | -0.043 | 29.778 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 3182 | ILE | 0 | -0.086 | -0.024 | 29.065 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 3183 | ILE | 0 | 0.034 | 0.029 | 30.841 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 3184 | VAL | 0 | -0.028 | -0.015 | 29.154 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 3185 | ASN | 0 | 0.059 | 0.036 | 32.473 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 3186 | GLY | 0 | -0.043 | -0.023 | 33.764 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 3187 | VAL | 0 | -0.012 | -0.012 | 31.562 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 3188 | LYS | 1 | 0.800 | 0.931 | 27.005 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 3189 | ALA | 0 | -0.008 | -0.013 | 29.361 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 3190 | VAL | 0 | -0.006 | -0.006 | 28.337 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 3191 | GLY | 0 | 0.054 | 0.048 | 24.836 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 3192 | THR | 0 | -0.030 | -0.035 | 21.023 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 3193 | GLY | 0 | 0.029 | 0.004 | 19.141 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 3194 | ILE | 0 | -0.008 | -0.001 | 18.527 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 3195 | ALA | 0 | 0.022 | 0.011 | 19.550 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 3196 | PHE | 0 | -0.002 | 0.007 | 16.250 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 3197 | GLY | 0 | 0.028 | 0.030 | 14.599 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 3198 | ASP | -1 | -0.756 | -0.855 | 11.426 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 3199 | TYR | 0 | -0.003 | -0.005 | 14.259 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 3200 | MET | 0 | 0.017 | 0.027 | 16.557 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 3201 | HIS | 0 | 0.078 | 0.015 | 18.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 3202 | ILE | 0 | -0.033 | -0.010 | 20.013 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 3203 | GLY | 0 | 0.063 | 0.016 | 23.765 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 3204 | CYS | 0 | -0.074 | -0.011 | 26.006 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 3205 | LEU | 0 | 0.045 | 0.011 | 28.255 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 3206 | TYR | 0 | 0.017 | 0.011 | 31.214 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 3207 | ARG | 1 | 0.939 | 0.953 | 34.640 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 3208 | PRO | 0 | -0.048 | -0.031 | 37.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 3209 | GLY | 0 | 0.021 | 0.021 | 41.391 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 3210 | ILE | 0 | -0.067 | -0.015 | 34.470 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 3211 | PRO | 0 | 0.045 | 0.020 | 38.285 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 3212 | GLY | 0 | 0.079 | 0.024 | 36.809 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 3213 | GLU | -1 | -0.905 | -0.948 | 35.429 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 3214 | GLN | 0 | 0.033 | 0.005 | 34.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 3215 | VAL | 0 | -0.065 | -0.019 | 31.666 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 3216 | ILE | 0 | 0.022 | 0.007 | 27.581 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 3217 | PHE | 0 | -0.021 | -0.013 | 24.790 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 3218 | ALA | 0 | 0.032 | 0.015 | 23.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 3219 | ALA | 0 | -0.006 | 0.009 | 17.944 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 3220 | ILE | 0 | 0.005 | 0.011 | 20.078 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 3221 | PRO | 0 | 0.017 | 0.014 | 18.073 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 3222 | THR | 0 | -0.006 | -0.018 | 17.724 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 3223 | ASN | 0 | -0.048 | -0.017 | 20.227 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 3224 | THR | 0 | -0.010 | -0.005 | 22.204 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 3225 | PRO | 0 | 0.021 | -0.005 | 24.101 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 3226 | GLY | 0 | 0.049 | 0.022 | 27.643 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 3227 | VAL | 0 | -0.021 | -0.004 | 24.559 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 3228 | THR | 0 | -0.001 | 0.009 | 27.236 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 3229 | VAL | 0 | -0.026 | -0.014 | 23.276 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 3230 | PHE | 0 | 0.029 | 0.009 | 26.691 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 3231 | CYS | 0 | -0.042 | -0.020 | 25.714 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 3232 | ARG | 1 | 0.749 | 0.845 | 26.006 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 3233 | GLU | -1 | -0.912 | -0.965 | 29.267 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 3234 | SER | 0 | -0.046 | -0.029 | 25.987 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 3235 | THR | 0 | -0.038 | -0.043 | 27.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 3236 | VAL | 0 | -0.053 | -0.013 | 24.489 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 3237 | LYS | 1 | 0.914 | 0.955 | 27.212 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 3238 | ASN | 0 | 0.038 | -0.004 | 27.769 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 3239 | ASP | -1 | -0.861 | -0.934 | 29.869 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 3240 | PRO | 0 | 0.019 | -0.005 | 25.980 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 3241 | ALA | 0 | -0.033 | -0.001 | 27.966 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 3242 | GLU | -1 | -0.852 | -0.931 | 30.653 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 3243 | HIS | 0 | -0.113 | -0.075 | 29.396 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 3244 | PRO | 0 | 0.041 | 0.040 | 26.544 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 3245 | LEU | 0 | -0.017 | -0.012 | 23.415 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 3246 | ALA | 0 | 0.023 | 0.011 | 24.318 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 3247 | SER | 0 | -0.047 | -0.030 | 25.803 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 3248 | GLN | 0 | -0.029 | -0.015 | 19.900 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 3249 | GLY | 0 | 0.108 | 0.048 | 20.213 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 3250 | ASP | -1 | -0.800 | -0.860 | 21.867 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 3251 | GLU | -1 | -0.717 | -0.854 | 18.644 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 3252 | LEU | 0 | -0.025 | -0.004 | 21.648 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 3253 | ASP | -1 | -0.761 | -0.859 | 23.322 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 3254 | SER | 0 | -0.061 | -0.049 | 24.960 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 3255 | THR | 0 | -0.020 | -0.005 | 27.247 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 3256 | THR | 0 | -0.017 | -0.013 | 25.616 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 3257 | VAL | 0 | 0.018 | 0.004 | 28.203 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 3258 | PHE | 0 | -0.016 | -0.022 | 25.822 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 3259 | ASP | -1 | -0.877 | -0.950 | 30.745 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 3260 | ASN | 0 | -0.085 | -0.059 | 33.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 3261 | VAL | 0 | 0.003 | 0.020 | 27.122 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 3262 | PHE | 0 | -0.003 | 0.004 | 28.314 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 3263 | ILE | 0 | -0.047 | -0.022 | 24.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 3264 | PRO | 0 | 0.045 | 0.031 | 24.270 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 3265 | TRP | 0 | 0.047 | 0.014 | 25.869 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 3266 | GLU | -1 | -0.946 | -0.969 | 22.490 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 3267 | GLN | 0 | -0.030 | -0.022 | 20.377 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 3268 | VAL | 0 | -0.021 | -0.005 | 22.628 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 3269 | PHE | 0 | -0.018 | -0.026 | 19.028 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 3270 | HIS | 0 | -0.039 | -0.024 | 24.881 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 3271 | ILE | 0 | -0.015 | -0.005 | 28.436 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 3272 | GLY | 0 | 0.073 | 0.032 | 31.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 3273 | ASN | 0 | -0.055 | -0.036 | 33.959 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 3274 | PRO | 0 | 0.029 | 0.003 | 34.535 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 3275 | GLU | -1 | -0.857 | -0.936 | 36.003 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 3276 | HIS | 0 | 0.018 | 0.018 | 28.498 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 3277 | ALA | 0 | 0.031 | -0.003 | 31.346 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 3278 | LYS | 1 | 0.811 | 0.888 | 32.419 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 3279 | LEU | 0 | -0.035 | -0.010 | 32.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 3280 | TYR | 0 | 0.016 | 0.012 | 27.136 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 3281 | PRO | 0 | 0.003 | 0.013 | 26.721 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 3282 | GLN | 0 | 0.018 | 0.004 | 26.598 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 3283 | ARG | 1 | 0.926 | 0.978 | 25.295 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 3284 | ILE | 0 | -0.010 | 0.008 | 21.549 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 3285 | PHE | 0 | -0.006 | -0.029 | 21.873 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 3286 | ASP | -1 | -0.811 | -0.882 | 23.658 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 3287 | TRP | 0 | 0.012 | -0.014 | 18.382 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 3288 | VAL | 0 | 0.029 | 0.038 | 19.879 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 3289 | HIS | 0 | 0.003 | -0.004 | 20.807 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 3290 | TYR | 0 | 0.007 | -0.024 | 18.870 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 3291 | HIS | 0 | 0.007 | -0.004 | 15.623 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 3292 | ILE | 0 | -0.010 | -0.005 | 20.097 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 3293 | LEU | 0 | 0.006 | 0.025 | 23.080 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 3294 | ILE | 0 | -0.035 | -0.013 | 18.658 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 3295 | ARG | 1 | 0.946 | 0.988 | 20.150 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 3296 | GLN | 0 | 0.042 | 0.010 | 22.208 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 3297 | VAL | 0 | -0.017 | -0.007 | 24.553 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 3298 | LEU | 0 | 0.034 | 0.014 | 19.369 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 3299 | ARG | 1 | 0.847 | 0.940 | 24.008 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 3300 | ALA | 0 | 0.012 | -0.001 | 26.429 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 3301 | GLU | -1 | -0.821 | -0.902 | 24.649 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 3302 | LEU | 0 | -0.034 | -0.013 | 25.414 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 3303 | ILE | 0 | -0.008 | -0.007 | 27.709 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 3304 | VAL | 0 | 0.014 | 0.013 | 31.188 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 3305 | GLY | 0 | 0.020 | 0.014 | 29.962 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 3306 | LEU | 0 | -0.009 | -0.012 | 29.654 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 3307 | ALA | 0 | 0.024 | 0.013 | 32.504 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 3308 | ILE | 0 | 0.007 | 0.021 | 33.325 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 3309 | LEU | 0 | 0.003 | 0.007 | 30.190 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 3310 | ILE | 0 | 0.018 | 0.014 | 34.832 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 3311 | THR | 0 | -0.028 | -0.039 | 37.493 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 3312 | GLU | -1 | -0.903 | -0.947 | 37.058 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 3313 | HIS | 0 | -0.076 | -0.024 | 37.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 3314 | ILE | 0 | -0.006 | -0.010 | 39.579 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 3315 | GLY | 0 | 0.000 | 0.001 | 42.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 3316 | THR | 0 | -0.038 | -0.034 | 43.622 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 3317 | SER | 0 | 0.041 | 0.018 | 40.821 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 3318 | LYS | 1 | 0.980 | 0.997 | 42.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 3319 | LEU | 0 | -0.052 | -0.019 | 45.522 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 3320 | PRO | 0 | 0.050 | 0.035 | 46.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 3321 | THR | 0 | -0.004 | -0.009 | 47.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 3322 | VAL | 0 | 0.037 | 0.025 | 42.656 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 3323 | SER | 0 | 0.013 | -0.018 | 42.659 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 3324 | ALA | 0 | -0.006 | 0.000 | 42.576 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 3325 | ARG | 1 | 0.855 | 0.940 | 42.437 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 3326 | VAL | 0 | 0.038 | 0.015 | 37.367 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 3327 | ALA | 0 | 0.009 | 0.003 | 38.148 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 3328 | LYS | 1 | 0.963 | 0.981 | 38.989 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 3329 | LEU | 0 | 0.013 | 0.013 | 35.149 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 3330 | VAL | 0 | 0.012 | 0.004 | 34.355 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 3331 | ALA | 0 | -0.026 | -0.015 | 34.705 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 3332 | PHE | 0 | -0.005 | 0.006 | 31.879 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 3333 | HIS | 0 | 0.026 | 0.009 | 27.093 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 3334 | LEU | 0 | 0.013 | 0.003 | 30.704 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 3335 | ALA | 0 | 0.004 | 0.015 | 32.633 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 3336 | MET | 0 | -0.039 | 0.007 | 28.998 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 3337 | GLN | 0 | 0.018 | -0.006 | 26.577 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 3338 | ALA | 0 | -0.005 | 0.002 | 28.603 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 3339 | HIS | 0 | -0.040 | -0.020 | 30.377 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 3340 | LEU | 0 | -0.027 | -0.007 | 22.995 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 3341 | ILE | 0 | 0.023 | 0.004 | 26.533 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 3342 | ALA | 0 | 0.030 | 0.019 | 27.556 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 3343 | SER | 0 | -0.057 | -0.022 | 26.745 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 3344 | GLU | -1 | -0.755 | -0.826 | 22.295 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 3345 | GLU | -1 | -0.877 | -0.928 | 25.841 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 3346 | THR | 0 | -0.081 | -0.038 | 28.659 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 3347 | GLY | 0 | 0.033 | 0.019 | 26.874 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 3348 | PHE | 0 | -0.055 | -0.025 | 26.707 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 3349 | HIS | 0 | -0.006 | -0.004 | 23.868 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 3350 | THR | 0 | -0.069 | -0.036 | 22.309 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 3351 | LYS | 1 | 0.965 | 0.972 | 25.309 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 3352 | GLY | 0 | 0.048 | 0.033 | 21.661 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 3353 | GLY | 0 | -0.041 | -0.010 | 21.302 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 3354 | ARG | 1 | 0.807 | 0.901 | 16.442 | -0.695 | -0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 3355 | TYR | 0 | -0.059 | -0.035 | 20.816 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 3356 | LYS | 1 | 0.837 | 0.910 | 21.260 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 3357 | PRO | 0 | 0.010 | 0.012 | 22.027 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 3358 | ASN | 0 | 0.013 | -0.016 | 25.167 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 3359 | PRO | 0 | 0.063 | 0.004 | 27.513 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 3360 | LEU | 0 | 0.050 | 0.043 | 29.029 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 3361 | ILE | 0 | -0.031 | -0.017 | 30.844 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 3362 | TYR | 0 | 0.019 | 0.002 | 25.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 3363 | ASP | -1 | -0.837 | -0.919 | 28.618 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 3364 | PHE | 0 | -0.029 | -0.016 | 30.421 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 3365 | GLY | 0 | 0.026 | 0.011 | 30.554 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 3366 | ARG | 1 | 0.840 | 0.921 | 26.377 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 3367 | ALA | 0 | 0.008 | 0.006 | 30.271 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 3368 | HIS | 0 | 0.009 | -0.001 | 33.638 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 3369 | PHE | 0 | 0.029 | -0.010 | 29.221 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 3370 | LEU | 0 | -0.013 | -0.010 | 30.700 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 3371 | GLN | 0 | -0.068 | -0.026 | 33.803 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 3372 | ASN | 0 | -0.034 | -0.013 | 35.930 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 3373 | GLN | 0 | 0.017 | 0.015 | 31.954 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 3374 | MET | 0 | 0.024 | 0.013 | 34.840 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 3375 | SER | 0 | -0.030 | -0.007 | 37.768 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 3376 | VAL | 0 | 0.034 | 0.014 | 33.707 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 3377 | MET | 0 | -0.013 | 0.012 | 35.158 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 3378 | TYR | 0 | -0.022 | -0.013 | 36.356 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 3379 | GLU | -1 | -0.916 | -0.972 | 39.146 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 3380 | LEU | 0 | -0.019 | -0.007 | 33.502 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 3381 | LEU | 0 | -0.006 | -0.013 | 36.882 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 3382 | ASP | -1 | -0.939 | -0.958 | 39.336 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 3383 | LEU | 0 | -0.053 | -0.026 | 39.229 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 3384 | ALA | 0 | -0.014 | -0.005 | 38.064 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 3385 | GLY | 0 | 0.029 | 0.022 | 40.101 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 3386 | ARG | 1 | 0.958 | 0.953 | 42.050 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 3387 | SER | 0 | 0.014 | 0.004 | 39.001 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 3388 | SER | 0 | 0.000 | 0.023 | 37.230 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 3389 | LEU | 0 | 0.019 | 0.010 | 38.201 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 3390 | MET | 0 | -0.076 | -0.040 | 40.861 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 3391 | ILE | 0 | -0.038 | -0.021 | 36.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 3392 | PRO | 0 | -0.037 | -0.011 | 39.785 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 3393 | SER | 0 | -0.005 | 0.001 | 37.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 3394 | GLU | -1 | -0.778 | -0.883 | 33.589 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 3395 | GLY | 0 | 0.025 | 0.018 | 37.725 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 3396 | GLN | 0 | -0.010 | -0.019 | 40.759 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 3397 | TRP | 0 | -0.050 | -0.033 | 39.532 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 3398 | ASP | -1 | -0.885 | -0.953 | 38.405 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 3399 | ASP | -1 | -0.873 | -0.926 | 41.882 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 3400 | SER | 0 | -0.010 | -0.014 | 45.310 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 3401 | GLN | 0 | -0.052 | -0.018 | 47.522 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 3402 | SER | 0 | -0.032 | -0.029 | 48.972 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 3403 | GLY | 0 | 0.081 | 0.056 | 45.350 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 3404 | GLN | 0 | -0.034 | -0.033 | 45.280 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 3405 | TRP | 0 | 0.004 | -0.002 | 47.306 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 3406 | PHE | 0 | 0.027 | 0.014 | 43.183 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 3407 | VAL | 0 | 0.027 | 0.026 | 42.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 3408 | LYS | 1 | 0.903 | 0.942 | 44.284 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 3409 | LEU | 0 | -0.043 | -0.013 | 45.870 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 3410 | ASN | 0 | -0.053 | -0.031 | 41.202 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 3411 | ASN | 0 | 0.026 | 0.014 | 42.208 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 3412 | GLY | 0 | 0.022 | 0.008 | 43.423 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 3413 | PRO | 0 | -0.049 | -0.022 | 43.229 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 3414 | LYS | 1 | 0.885 | 0.939 | 35.515 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 3415 | GLY | 0 | 0.008 | 0.026 | 39.451 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 3416 | ASN | 0 | 0.027 | 0.007 | 36.090 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 3417 | PRO | 0 | 0.013 | 0.010 | 38.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 3418 | ARG | 1 | 0.853 | 0.912 | 34.903 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 3419 | GLU | -1 | -0.874 | -0.940 | 33.479 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 3420 | ARG | 1 | 0.851 | 0.943 | 34.836 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 3421 | VAL | 0 | 0.022 | 0.007 | 35.788 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 3422 | GLN | 0 | -0.003 | -0.003 | 30.286 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 3423 | ILE | 0 | 0.001 | 0.000 | 31.790 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 3424 | GLY | 0 | 0.019 | 0.005 | 33.136 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 3425 | ARG | 1 | 0.868 | 0.935 | 31.853 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 3426 | VAL | 0 | 0.022 | 0.029 | 28.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 3427 | ILE | 0 | -0.028 | -0.016 | 30.390 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 3428 | ARG | 1 | 0.978 | 0.992 | 32.951 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 3429 | ASP | -1 | -0.769 | -0.867 | 28.683 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 3430 | LEU | 0 | -0.029 | -0.029 | 26.713 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 3431 | TYR | 0 | -0.013 | -0.014 | 30.035 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 3432 | LEU | 0 | -0.065 | -0.024 | 33.477 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 3433 | THR | 0 | -0.039 | -0.016 | 31.158 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 3434 | ASP | -1 | -0.868 | -0.929 | 32.028 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 3435 | TRP | 0 | -0.013 | -0.014 | 23.244 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 3436 | GLY | 0 | 0.008 | -0.003 | 28.137 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 3437 | GLY | 0 | 0.023 | 0.016 | 29.935 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 3438 | ARG | 1 | 0.927 | 0.983 | 22.497 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 3439 | GLN | 0 | -0.068 | -0.042 | 25.354 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 3440 | PHE | 0 | 0.005 | 0.011 | 27.999 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 3441 | MET | 0 | 0.016 | -0.022 | 31.235 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 3442 | PHE | 0 | -0.042 | 0.011 | 21.928 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 3443 | GLU | -1 | -0.900 | -0.995 | 27.769 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 3444 | ASN | 0 | -0.023 | 0.023 | 29.944 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 3445 | PHE | 0 | -0.011 | -0.021 | 28.453 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 3446 | ASN | 0 | -0.066 | 0.001 | 28.444 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 3447 | GLY | 0 | 0.021 | -0.012 | 32.175 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 3448 | THR | 0 | -0.009 | 0.010 | 35.522 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 3449 | PRO | 0 | -0.010 | -0.022 | 39.171 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 3450 | LEU | 0 | 0.084 | 0.038 | 38.833 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 3451 | PHE | 0 | -0.062 | -0.027 | 40.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 3452 | ALA | 0 | -0.019 | -0.020 | 37.597 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 3453 | VAL | 0 | 0.060 | 0.041 | 36.306 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 3454 | PHE | 0 | 0.079 | 0.058 | 38.040 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 3455 | ALA | 0 | 0.030 | 0.026 | 40.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 3456 | ALA | 0 | -0.066 | -0.036 | 35.712 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 3457 | THR | 0 | -0.005 | -0.028 | 36.418 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 3458 | MET | 0 | -0.015 | -0.021 | 38.573 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 3459 | THR | 0 | -0.018 | -0.001 | 40.531 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 3460 | ARG | 1 | 0.840 | 0.911 | 35.178 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 3461 | ASP | -1 | -0.901 | -0.925 | 36.458 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 3462 | ASP | -1 | -0.881 | -0.926 | 39.104 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 3463 | MET | 0 | -0.031 | -0.023 | 38.965 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 3464 | SER | 0 | 0.029 | 0.021 | 43.637 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 3465 | ALA | 0 | -0.006 | -0.014 | 47.231 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 3466 | ALA | 0 | 0.028 | 0.007 | 48.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 3467 | GLY | 0 | -0.004 | -0.005 | 45.183 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 3468 | THR | 0 | 0.017 | -0.003 | 41.374 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 3469 | TYR | 0 | -0.022 | -0.019 | 40.275 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 3470 | GLY | 0 | 0.003 | 0.020 | 46.213 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 3471 | LYS | 1 | 0.968 | 1.014 | 47.801 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 3472 | PHE | 0 | -0.023 | -0.019 | 49.350 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 3473 | ALA | 0 | 0.057 | 0.023 | 51.082 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 3474 | SER | 0 | 0.033 | 0.006 | 52.867 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 3475 | GLN | 0 | 0.022 | 0.015 | 53.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 3476 | VAL | 0 | -0.078 | -0.038 | 54.619 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 3477 | CYS | 0 | -0.071 | -0.036 | 56.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 3478 | GLY | 0 | -0.027 | 0.004 | 58.909 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 3479 | ILE | 0 | -0.069 | -0.050 | 57.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 3480 | GLU | -1 | -0.981 | -1.008 | 55.947 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 3481 | PHE | 0 | 0.003 | 0.013 | 47.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 3482 | GLY | 0 | -0.004 | 0.014 | 52.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |