NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400732 |
1v3a   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v3a
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 2158
_Distance_constraint_stats_list.Viol_count 284
_Distance_constraint_stats_list.Viol_total 7.181
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0253
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 PRO 0.006 0.006 1 0 "[ ]"
1 8 ALA 0.028 0.022 1 0 "[ ]"
1 9 PRO 0.074 0.032 1 0 "[ ]"
1 10 VAL 0.117 0.055 1 0 "[ ]"
1 11 GLU 0.175 0.073 1 0 "[ ]"
1 12 VAL 0.170 0.056 1 0 "[ ]"
1 13 SER 0.062 0.037 1 0 "[ ]"
1 14 TYR 0.180 0.053 1 0 "[ ]"
1 15 LYS 0.085 0.030 1 0 "[ ]"
1 16 HIS 0.057 0.039 1 0 "[ ]"
1 17 MET 0.064 0.039 1 0 "[ ]"
1 18 ARG 0.195 0.037 1 0 "[ ]"
1 19 PHE 0.391 0.071 1 0 "[ ]"
1 20 LEU 0.192 0.073 1 0 "[ ]"
1 21 ILE 0.161 0.055 1 0 "[ ]"
1 25 PRO 0.000 0.000 . 0 "[ ]"
1 26 THR 0.002 0.002 1 0 "[ ]"
1 28 ALA 0.000 0.000 . 0 "[ ]"
1 29 THR 0.054 0.032 1 0 "[ ]"
1 30 LEU 0.081 0.032 1 0 "[ ]"
1 31 SER 0.000 0.000 . 0 "[ ]"
1 32 THR 0.065 0.032 1 0 "[ ]"
1 33 PHE 0.044 0.025 1 0 "[ ]"
1 34 ILE 0.160 0.085 1 0 "[ ]"
1 35 GLU 0.091 0.032 1 0 "[ ]"
1 36 ASP 0.087 0.058 1 0 "[ ]"
1 37 LEU 0.431 0.085 1 0 "[ ]"
1 38 LYS 0.074 0.059 1 0 "[ ]"
1 39 LYS 0.018 0.018 1 0 "[ ]"
1 40 TYR 0.057 0.022 1 0 "[ ]"
1 41 GLY 0.012 0.012 1 0 "[ ]"
1 42 ALA 0.072 0.054 1 0 "[ ]"
1 43 THR 0.151 0.079 1 0 "[ ]"
1 44 THR 0.147 0.079 1 0 "[ ]"
1 45 VAL 0.132 0.034 1 0 "[ ]"
1 46 VAL 0.018 0.013 1 0 "[ ]"
1 47 ARG 0.067 0.039 1 0 "[ ]"
1 50 GLU 0.027 0.027 1 0 "[ ]"
1 51 VAL 0.182 0.044 1 0 "[ ]"
1 52 THR 0.044 0.044 1 0 "[ ]"
1 53 TYR 0.081 0.062 1 0 "[ ]"
1 54 ASP 0.019 0.019 1 0 "[ ]"
1 55 LYS 0.023 0.020 1 0 "[ ]"
1 56 THR 0.289 0.091 1 0 "[ ]"
1 57 PRO 0.314 0.091 1 0 "[ ]"
1 58 LEU 0.301 0.084 1 0 "[ ]"
1 59 GLU 0.183 0.070 1 0 "[ ]"
1 60 LYS 0.192 0.069 1 0 "[ ]"
1 61 ASP 0.125 0.069 1 0 "[ ]"
1 62 GLY 0.006 0.004 1 0 "[ ]"
1 63 ILE 0.244 0.045 1 0 "[ ]"
1 64 THR 0.063 0.031 1 0 "[ ]"
1 65 VAL 0.227 0.084 1 0 "[ ]"
1 66 VAL 0.062 0.028 1 0 "[ ]"
1 67 ASP 0.094 0.042 1 0 "[ ]"
1 68 TRP 0.196 0.057 1 0 "[ ]"
1 69 PRO 0.162 0.060 1 0 "[ ]"
1 70 PHE 0.131 0.060 1 0 "[ ]"
1 71 ASP 0.043 0.026 1 0 "[ ]"
1 72 ASP 0.000 0.000 . 0 "[ ]"
1 73 GLY 0.000 0.000 . 0 "[ ]"
1 74 ALA 0.049 0.037 1 0 "[ ]"
1 75 PRO 0.037 0.037 1 0 "[ ]"
1 78 GLY 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.056 0.047 1 0 "[ ]"
1 80 VAL 0.101 0.047 1 0 "[ ]"
1 81 VAL 0.063 0.058 1 0 "[ ]"
1 82 GLU 0.106 0.058 1 0 "[ ]"
1 83 ASP 0.013 0.013 1 0 "[ ]"
1 84 TRP 0.241 0.056 1 0 "[ ]"
1 85 LEU 0.234 0.101 1 0 "[ ]"
1 86 SER 0.098 0.057 1 0 "[ ]"
1 87 LEU 0.094 0.043 1 0 "[ ]"
1 88 VAL 0.444 0.093 1 0 "[ ]"
1 89 LYS 0.059 0.032 1 0 "[ ]"
1 90 ALA 0.052 0.036 1 0 "[ ]"
1 91 LYS 0.151 0.050 1 0 "[ ]"
1 92 PHE 0.116 0.049 1 0 "[ ]"
1 93 CYS 0.059 0.038 1 0 "[ ]"
1 94 GLU 0.184 0.064 1 0 "[ ]"
1 95 ALA 0.091 0.064 1 0 "[ ]"
1 96 PRO 0.154 0.079 1 0 "[ ]"
1 97 GLY 0.112 0.079 1 0 "[ ]"
1 98 SER 0.015 0.015 1 0 "[ ]"
1 99 CYS 0.040 0.034 1 0 "[ ]"
1 100 VAL 0.188 0.050 1 0 "[ ]"
1 101 ALA 0.041 0.027 1 0 "[ ]"
1 102 VAL 0.037 0.037 1 0 "[ ]"
1 112 PRO 0.039 0.039 1 0 "[ ]"
1 113 VAL 0.011 0.011 1 0 "[ ]"
1 114 LEU 0.130 0.056 1 0 "[ ]"
1 115 VAL 0.084 0.048 1 0 "[ ]"
1 116 ALA 0.175 0.065 1 0 "[ ]"
1 117 LEU 0.115 0.046 1 0 "[ ]"
1 118 ALA 0.271 0.093 1 0 "[ ]"
1 119 LEU 0.186 0.047 1 0 "[ ]"
1 120 ILE 0.356 0.061 1 0 "[ ]"
1 121 GLU 0.248 0.101 1 0 "[ ]"
1 122 SER 0.036 0.019 1 0 "[ ]"
1 123 GLY 0.000 0.000 . 0 "[ ]"
1 124 MET 0.069 0.022 1 0 "[ ]"
1 125 LYS 0.036 0.022 1 0 "[ ]"
1 126 TYR 0.414 0.064 1 0 "[ ]"
1 127 GLU 0.022 0.022 1 0 "[ ]"
1 128 ASP 0.036 0.036 1 0 "[ ]"
1 129 ALA 0.174 0.047 1 0 "[ ]"
1 130 ILE 0.074 0.033 1 0 "[ ]"
1 131 GLN 0.000 0.000 . 0 "[ ]"
1 132 PHE 0.062 0.030 1 0 "[ ]"
1 133 ILE 0.240 0.076 1 0 "[ ]"
1 134 ARG 0.106 0.076 1 0 "[ ]"
1 135 GLN 0.136 0.048 1 0 "[ ]"
1 136 LYS 0.066 0.044 1 0 "[ ]"
1 140 ALA 0.008 0.008 1 0 "[ ]"
1 141 ILE 0.002 0.002 1 0 "[ ]"
1 142 ASN 0.028 0.021 1 0 "[ ]"
1 145 GLN 0.107 0.059 1 0 "[ ]"
1 146 LEU 0.194 0.059 1 0 "[ ]"
1 147 THR 0.099 0.059 1 0 "[ ]"
1 148 TYR 0.191 0.055 1 0 "[ ]"
1 149 LEU 0.103 0.031 1 0 "[ ]"
1 150 GLU 0.057 0.044 1 0 "[ ]"
1 151 LYS 0.033 0.020 1 0 "[ ]"
1 152 TYR 0.071 0.025 1 0 "[ ]"
1 153 ARG 0.113 0.070 1 0 "[ ]"
1 154 PRO 0.021 0.021 1 0 "[ ]"
1 155 LYS 0.104 0.070 1 0 "[ ]"
1 156 GLN 0.000 0.000 . 0 "[ ]"
1 157 ARG 0.039 0.027 1 0 "[ ]"
1 158 LEU 0.013 0.013 1 0 "[ ]"
1 161 LYS 0.025 0.025 1 0 "[ ]"
1 162 ASP 0.025 0.025 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 46 VAL H 1 46 VAL HB . . 3.860 2.765 2.765 2.765 . 0 0 "[ ]" 1
2 1 46 VAL H 1 102 VAL HA . . 4.600 2.840 2.840 2.840 . 0 0 "[ ]" 1
3 1 46 VAL H 1 101 ALA MB . . 4.220 3.996 3.996 3.996 . 0 0 "[ ]" 1
4 1 64 THR H 1 65 VAL H . . 4.340 4.348 4.348 4.348 0.008 1 0 "[ ]" 1
5 1 64 THR HA 1 65 VAL H . . 2.860 2.178 2.178 2.178 . 0 0 "[ ]" 1
6 1 65 VAL H 1 65 VAL HB . . 3.370 2.623 2.623 2.623 . 0 0 "[ ]" 1
7 1 64 THR MG 1 65 VAL H . . 3.170 3.179 3.179 3.179 0.009 1 0 "[ ]" 1
8 1 19 PHE HA 1 100 VAL H . . 4.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
9 1 100 VAL H 1 100 VAL HB . . 3.750 2.792 2.792 2.792 . 0 0 "[ ]" 1
10 1 100 VAL H 1 100 VAL MG2 . . 3.910 2.788 2.788 2.788 . 0 0 "[ ]" 1
11 1 66 VAL MG1 1 68 TRP HE1 . . 3.460 3.118 3.118 3.118 . 0 0 "[ ]" 1
12 1 45 VAL H 1 64 THR HA . . 5.150 4.952 4.952 4.952 . 0 0 "[ ]" 1
13 1 44 THR HB 1 45 VAL H . . 4.540 4.237 4.237 4.237 . 0 0 "[ ]" 1
14 1 45 VAL H 1 63 ILE MG . . 4.020 2.779 2.779 2.779 . 0 0 "[ ]" 1
15 1 45 VAL H 1 64 THR HB . . 4.260 3.796 3.796 3.796 . 0 0 "[ ]" 1
16 1 11 GLU H 1 12 VAL H . . 4.470 4.438 4.438 4.438 . 0 0 "[ ]" 1
17 1 11 GLU HA 1 12 VAL H . . 3.210 2.198 2.198 2.198 . 0 0 "[ ]" 1
18 1 12 VAL H 1 18 ARG HA . . 4.620 4.637 4.637 4.637 0.017 1 0 "[ ]" 1
19 1 12 VAL H 1 12 VAL HB . . 3.220 2.825 2.825 2.825 . 0 0 "[ ]" 1
20 1 11 GLU HB2 1 12 VAL H . . 3.930 3.589 3.589 3.589 . 0 0 "[ ]" 1
21 1 10 VAL MG1 1 12 VAL H . . 4.190 4.013 4.013 4.013 . 0 0 "[ ]" 1
22 1 12 VAL H 1 12 VAL MG2 . . 4.530 3.923 3.923 3.923 . 0 0 "[ ]" 1
23 1 7 PRO HA 1 8 ALA H . . 3.400 2.157 2.157 2.157 . 0 0 "[ ]" 1
24 1 161 LYS HA 1 162 ASP H . . 3.470 3.495 3.495 3.495 0.025 1 0 "[ ]" 1
25 1 161 LYS QG 1 162 ASP H . . 4.390 3.901 3.901 3.901 . 0 0 "[ ]" 1
26 1 8 ALA H 1 8 ALA MB . . 3.490 2.245 2.245 2.245 . 0 0 "[ ]" 1
27 1 20 LEU HA 1 21 ILE H . . 3.340 2.171 2.171 2.171 . 0 0 "[ ]" 1
28 1 21 ILE H 1 21 ILE HB . . 3.850 3.657 3.657 3.657 . 0 0 "[ ]" 1
29 1 21 ILE H 1 21 ILE MD . . 3.720 2.497 2.497 2.497 . 0 0 "[ ]" 1
30 1 141 ILE H 1 142 ASN H . . 4.060 2.239 2.239 2.239 . 0 0 "[ ]" 1
31 1 142 ASN H 1 145 GLN HB2 . . 4.340 4.361 4.361 4.361 0.021 1 0 "[ ]" 1
32 1 66 VAL H 1 67 ASP H . . 4.260 4.110 4.110 4.110 . 0 0 "[ ]" 1
33 1 67 ASP H 1 68 TRP HD1 . . 5.060 5.074 5.074 5.074 0.014 1 0 "[ ]" 1
34 1 67 ASP HA 1 68 TRP H . . 3.190 2.387 2.387 2.387 . 0 0 "[ ]" 1
35 1 68 TRP H 1 68 TRP HB3 . . 3.800 3.572 3.572 3.572 . 0 0 "[ ]" 1
36 1 120 ILE MD 1 125 LYS H . . 4.800 4.815 4.815 4.815 0.015 1 0 "[ ]" 1
37 1 125 LYS H 1 128 ASP H . . 4.830 4.099 4.099 4.099 . 0 0 "[ ]" 1
38 1 124 MET HA 1 125 LYS H . . 2.790 2.368 2.368 2.368 . 0 0 "[ ]" 1
39 1 125 LYS H 1 125 LYS QE . . 4.730 3.835 3.835 3.835 . 0 0 "[ ]" 1
40 1 125 LYS H 1 128 ASP QB . . 4.020 2.931 2.931 2.931 . 0 0 "[ ]" 1
41 1 125 LYS H 1 125 LYS HB2 . . 3.660 2.439 2.439 2.439 . 0 0 "[ ]" 1
42 1 125 LYS H 1 125 LYS HB3 . . 3.660 3.623 3.623 3.623 . 0 0 "[ ]" 1
43 1 124 MET QB 1 125 LYS H . . 3.500 3.051 3.051 3.051 . 0 0 "[ ]" 1
44 1 87 LEU H 1 87 LEU HG . . 4.400 4.329 4.329 4.329 . 0 0 "[ ]" 1
45 1 84 TRP HA 1 87 LEU H . . 4.250 3.656 3.656 3.656 . 0 0 "[ ]" 1
46 1 87 LEU H 1 87 LEU HB3 . . 3.260 2.247 2.247 2.247 . 0 0 "[ ]" 1
47 1 15 LYS H 1 15 LYS HB2 . . 3.930 3.590 3.590 3.590 . 0 0 "[ ]" 1
48 1 84 TRP HE1 1 117 LEU H . . 4.270 4.047 4.047 4.047 . 0 0 "[ ]" 1
49 1 84 TRP HE1 1 118 ALA H . . 4.640 4.650 4.650 4.650 0.010 1 0 "[ ]" 1
50 1 14 TYR QD 1 15 LYS H . . 4.100 1.800 1.800 1.800 . 0 0 "[ ]" 1
51 1 101 ALA HA 1 102 VAL H . . 3.430 2.222 2.222 2.222 . 0 0 "[ ]" 1
52 1 13 SER HA 1 19 PHE H . . 3.810 3.801 3.801 3.801 . 0 0 "[ ]" 1
53 1 21 ILE HA 1 102 VAL H . . 4.230 3.051 3.051 3.051 . 0 0 "[ ]" 1
54 1 118 ALA HA 1 121 GLU H . . 3.890 3.460 3.460 3.460 . 0 0 "[ ]" 1
55 1 120 ILE HB 1 121 GLU H . . 3.540 2.614 2.614 2.614 . 0 0 "[ ]" 1
56 1 18 ARG HG3 1 19 PHE H . . 3.950 3.229 3.229 3.229 . 0 0 "[ ]" 1
57 1 120 ILE MD 1 121 GLU H . . 4.010 4.045 4.045 4.045 0.035 1 0 "[ ]" 1
58 1 93 CYS QB 1 95 ALA H . . 5.020 4.587 4.587 4.587 . 0 0 "[ ]" 1
59 1 121 GLU H 1 121 GLU HG2 . . 3.460 2.324 2.324 2.324 . 0 0 "[ ]" 1
60 1 94 GLU QB 1 95 ALA H . . 3.490 3.554 3.554 3.554 0.064 1 0 "[ ]" 1
61 1 115 VAL HB 1 116 ALA H . . 3.630 2.568 2.568 2.568 . 0 0 "[ ]" 1
62 1 56 THR H 1 56 THR HB . . 3.910 3.784 3.784 3.784 . 0 0 "[ ]" 1
63 1 56 THR H 1 57 PRO HD3 . . 3.690 3.379 3.379 3.379 . 0 0 "[ ]" 1
64 1 55 LYS HB3 1 56 THR H . . 4.590 4.219 4.219 4.219 . 0 0 "[ ]" 1
65 1 56 THR H 1 57 PRO HG3 . . 4.890 4.567 4.567 4.567 . 0 0 "[ ]" 1
66 1 56 THR H 1 56 THR MG . . 3.370 2.427 2.427 2.427 . 0 0 "[ ]" 1
67 1 127 GLU H 1 130 ILE MD . . 5.180 4.734 4.734 4.734 . 0 0 "[ ]" 1
68 1 115 VAL H 1 115 VAL HB . . 4.120 2.591 2.591 2.591 . 0 0 "[ ]" 1
69 1 117 LEU MD1 1 118 ALA H . . 3.610 3.656 3.656 3.656 0.046 1 0 "[ ]" 1
70 1 37 LEU H 1 37 LEU MD1 . . 3.670 3.495 3.495 3.495 . 0 0 "[ ]" 1
71 1 81 VAL MG1 1 82 GLU H . . 4.000 3.998 3.998 3.998 . 0 0 "[ ]" 1
72 1 87 LEU HG 1 88 VAL H . . 3.860 3.002 3.002 3.002 . 0 0 "[ ]" 1
73 1 119 LEU H 1 119 LEU HB2 . . 3.700 2.437 2.437 2.437 . 0 0 "[ ]" 1
74 1 90 ALA HA 1 93 CYS H . . 3.670 2.951 2.951 2.951 . 0 0 "[ ]" 1
75 1 51 VAL HA 1 53 TYR H . . 4.040 3.987 3.987 3.987 . 0 0 "[ ]" 1
76 1 92 PHE HB3 1 93 CYS H . . 4.010 3.409 3.409 3.409 . 0 0 "[ ]" 1
77 1 93 CYS H 1 93 CYS QB . . 2.760 2.299 2.299 2.299 . 0 0 "[ ]" 1
78 1 93 CYS H 1 94 GLU QB . . 4.930 4.278 4.278 4.278 . 0 0 "[ ]" 1
79 1 118 ALA MB 1 119 LEU H . . 4.090 2.840 2.840 2.840 . 0 0 "[ ]" 1
80 1 133 ILE H 1 133 ILE HG12 . . 4.250 2.532 2.532 2.532 . 0 0 "[ ]" 1
81 1 58 LEU H 1 60 LYS H . . 4.410 4.390 4.390 4.390 . 0 0 "[ ]" 1
82 1 132 PHE QD 1 133 ILE H . . 4.550 3.895 3.895 3.895 . 0 0 "[ ]" 1
83 1 57 PRO HB3 1 58 LEU H . . 3.860 3.892 3.892 3.892 0.032 1 0 "[ ]" 1
84 1 58 LEU H 1 58 LEU MD1 . . 3.350 2.212 2.212 2.212 . 0 0 "[ ]" 1
85 1 135 GLN HB2 1 136 LYS H . . 4.370 4.271 4.271 4.271 . 0 0 "[ ]" 1
86 1 117 LEU H 1 117 LEU MD2 . . 3.960 3.698 3.698 3.698 . 0 0 "[ ]" 1
87 1 99 CYS H 1 99 CYS HB2 . . 3.840 2.689 2.689 2.689 . 0 0 "[ ]" 1
88 1 97 GLY H 1 98 SER H . . 3.680 2.942 2.942 2.942 . 0 0 "[ ]" 1
89 1 98 SER HA 1 99 CYS H . . 3.340 2.752 2.752 2.752 . 0 0 "[ ]" 1
90 1 98 SER QB 1 99 CYS H . . 3.180 2.659 2.659 2.659 . 0 0 "[ ]" 1
91 1 130 ILE H 1 131 GLN H . . 3.440 2.957 2.957 2.957 . 0 0 "[ ]" 1
92 1 85 LEU H 1 86 SER H . . 3.560 2.902 2.902 2.902 . 0 0 "[ ]" 1
93 1 147 THR H 1 147 THR MG . . 3.820 2.247 2.247 2.247 . 0 0 "[ ]" 1
94 1 20 LEU HG 1 40 TYR H . . 5.280 5.011 5.011 5.011 . 0 0 "[ ]" 1
95 1 121 GLU HB2 1 122 SER H . . 3.710 3.144 3.144 3.144 . 0 0 "[ ]" 1
96 1 140 ALA MB 1 141 ILE H . . 3.850 3.741 3.741 3.741 . 0 0 "[ ]" 1
97 1 91 LYS H 1 92 PHE H . . 3.560 2.676 2.676 2.676 . 0 0 "[ ]" 1
98 1 92 PHE H 1 92 PHE HB2 . . 3.170 2.970 2.970 2.970 . 0 0 "[ ]" 1
99 1 91 LYS QB 1 92 PHE H . . 3.130 3.051 3.051 3.051 . 0 0 "[ ]" 1
100 1 91 LYS QG 1 92 PHE H . . 4.550 4.232 4.232 4.232 . 0 0 "[ ]" 1
101 1 70 PHE H 1 71 ASP H . . 4.940 2.353 2.353 2.353 . 0 0 "[ ]" 1
102 1 92 PHE QD 1 97 GLY H . . 4.970 4.816 4.816 4.816 . 0 0 "[ ]" 1
103 1 92 PHE H 1 92 PHE HB3 . . 3.530 2.273 2.273 2.273 . 0 0 "[ ]" 1
104 1 41 GLY H 1 42 ALA MB . . 4.390 4.149 4.149 4.149 . 0 0 "[ ]" 1
105 1 120 ILE H 1 123 GLY H . . 5.320 5.271 5.271 5.271 . 0 0 "[ ]" 1
106 1 26 THR H 1 29 THR H . . 5.350 5.104 5.104 5.104 . 0 0 "[ ]" 1
107 1 29 THR H 1 29 THR MG . . 3.450 2.506 2.506 2.506 . 0 0 "[ ]" 1
108 1 60 LYS H 1 62 GLY H . . 4.510 4.178 4.178 4.178 . 0 0 "[ ]" 1
109 1 62 GLY H 1 63 ILE HB . . 4.440 4.442 4.442 4.442 0.002 1 0 "[ ]" 1
110 1 25 PRO HA 1 26 THR H . . 3.450 2.678 2.678 2.678 . 0 0 "[ ]" 1
111 1 40 TYR H 1 40 TYR QD . . 3.450 2.598 2.598 2.598 . 0 0 "[ ]" 1
112 1 140 ALA H 1 141 ILE H . . 4.520 2.805 2.805 2.805 . 0 0 "[ ]" 1
113 1 20 LEU H 1 102 VAL H . . 4.280 4.019 4.019 4.019 . 0 0 "[ ]" 1
114 1 124 MET H 1 125 LYS H . . 4.750 4.597 4.597 4.597 . 0 0 "[ ]" 1
115 1 64 THR HB 1 65 VAL H . . 4.610 4.434 4.434 4.434 . 0 0 "[ ]" 1
116 1 92 PHE H 1 94 GLU H . . 4.590 3.973 3.973 3.973 . 0 0 "[ ]" 1
117 1 84 TRP HE3 1 118 ALA H . . 5.470 5.119 5.119 5.119 . 0 0 "[ ]" 1
118 1 152 TYR QD 1 153 ARG H . . 4.440 3.504 3.504 3.504 . 0 0 "[ ]" 1
119 1 152 TYR QE 1 153 ARG H . . 4.640 4.646 4.646 4.646 0.006 1 0 "[ ]" 1
120 1 100 VAL HA 1 101 ALA H . . 3.170 2.202 2.202 2.202 . 0 0 "[ ]" 1
121 1 44 THR HB 1 101 ALA H . . 4.340 4.122 4.122 4.122 . 0 0 "[ ]" 1
122 1 101 ALA H 1 101 ALA MB . . 3.300 2.206 2.206 2.206 . 0 0 "[ ]" 1
123 1 101 ALA H 1 102 VAL H . . 4.600 4.600 4.600 4.600 0.000 1 0 "[ ]" 1
124 1 45 VAL HA 1 101 ALA H . . 4.040 2.933 2.933 2.933 . 0 0 "[ ]" 1
125 1 100 VAL HB 1 101 ALA H . . 4.550 4.224 4.224 4.224 . 0 0 "[ ]" 1
126 1 100 VAL MG1 1 101 ALA H . . 3.490 2.880 2.880 2.880 . 0 0 "[ ]" 1
127 1 100 VAL MG2 1 101 ALA H . . 4.380 4.223 4.223 4.223 . 0 0 "[ ]" 1
128 1 47 ARG H 1 67 ASP HA . . 4.710 3.706 3.706 3.706 . 0 0 "[ ]" 1
129 1 47 ARG H 1 66 VAL HB . . 4.210 3.077 3.077 3.077 . 0 0 "[ ]" 1
130 1 10 VAL H 1 11 GLU H . . 4.480 4.392 4.392 4.392 . 0 0 "[ ]" 1
131 1 10 VAL HA 1 11 GLU H . . 2.900 2.151 2.151 2.151 . 0 0 "[ ]" 1
132 1 11 GLU H 1 11 GLU HB3 . . 3.370 2.685 2.685 2.685 . 0 0 "[ ]" 1
133 1 11 GLU H 1 11 GLU QG . . 3.700 3.287 3.287 3.287 . 0 0 "[ ]" 1
134 1 10 VAL MG2 1 11 GLU H . . 3.990 3.996 3.996 3.996 0.006 1 0 "[ ]" 1
135 1 66 VAL H 1 66 VAL HB . . 4.120 2.773 2.773 2.773 . 0 0 "[ ]" 1
136 1 65 VAL MG1 1 66 VAL H . . 3.950 2.584 2.584 2.584 . 0 0 "[ ]" 1
137 1 66 VAL H 1 66 VAL MG2 . . 4.130 2.490 2.490 2.490 . 0 0 "[ ]" 1
138 1 68 TRP HA 1 68 TRP HE1 . . 4.690 4.621 4.621 4.621 . 0 0 "[ ]" 1
139 1 44 THR HA 1 45 VAL H . . 3.160 2.144 2.144 2.144 . 0 0 "[ ]" 1
140 1 128 ASP QB 1 129 ALA H . . 3.340 2.383 2.383 2.383 . 0 0 "[ ]" 1
141 1 127 GLU H 1 129 ALA H . . 4.530 4.167 4.167 4.167 . 0 0 "[ ]" 1
142 1 129 ALA H 1 130 ILE H . . 3.490 2.954 2.954 2.954 . 0 0 "[ ]" 1
143 1 32 THR H 1 33 PHE H . . 4.150 2.105 2.105 2.105 . 0 0 "[ ]" 1
144 1 33 PHE H 1 33 PHE QD . . 4.390 4.229 4.229 4.229 . 0 0 "[ ]" 1
145 1 32 THR HB 1 33 PHE H . . 3.600 2.769 2.769 2.769 . 0 0 "[ ]" 1
146 1 30 LEU HA 1 33 PHE H . . 3.640 3.045 3.045 3.045 . 0 0 "[ ]" 1
147 1 33 PHE H 1 33 PHE HB2 . . 3.300 2.503 2.503 2.503 . 0 0 "[ ]" 1
148 1 33 PHE H 1 33 PHE HB3 . . 3.290 2.467 2.467 2.467 . 0 0 "[ ]" 1
149 1 83 ASP HB3 1 84 TRP H . . 3.730 2.869 2.869 2.869 . 0 0 "[ ]" 1
150 1 14 TYR H 1 19 PHE H . . 4.470 4.325 4.325 4.325 . 0 0 "[ ]" 1
151 1 14 TYR H 1 16 HIS H . . 5.220 4.631 4.631 4.631 . 0 0 "[ ]" 1
152 1 83 ASP H 1 84 TRP H . . 3.510 2.652 2.652 2.652 . 0 0 "[ ]" 1
153 1 68 TRP HH2 1 84 TRP H . . 3.810 3.727 3.727 3.727 . 0 0 "[ ]" 1
154 1 13 SER HB2 1 14 TYR H . . 4.300 4.306 4.306 4.306 0.006 1 0 "[ ]" 1
155 1 84 TRP H 1 84 TRP HB2 . . 3.230 2.330 2.330 2.330 . 0 0 "[ ]" 1
156 1 84 TRP H 1 84 TRP HB3 . . 3.190 2.774 2.774 2.774 . 0 0 "[ ]" 1
157 1 83 ASP HB2 1 84 TRP H . . 3.730 3.242 3.242 3.242 . 0 0 "[ ]" 1
158 1 19 PHE HA 1 20 LEU H . . 3.450 2.160 2.160 2.160 . 0 0 "[ ]" 1
159 1 20 LEU H 1 101 ALA HA . . 3.590 2.676 2.676 2.676 . 0 0 "[ ]" 1
160 1 20 LEU H 1 20 LEU HB2 . . 3.870 2.279 2.279 2.279 . 0 0 "[ ]" 1
161 1 20 LEU H 1 20 LEU HB3 . . 3.560 3.527 3.527 3.527 . 0 0 "[ ]" 1
162 1 125 LYS HA 1 126 TYR H . . 3.180 2.190 2.190 2.190 . 0 0 "[ ]" 1
163 1 126 TYR H 1 126 TYR QB . . 3.330 2.310 2.310 2.310 . 0 0 "[ ]" 1
164 1 125 LYS HB2 1 126 TYR H . . 4.460 4.324 4.324 4.324 . 0 0 "[ ]" 1
165 1 125 LYS HB3 1 126 TYR H . . 4.460 3.246 3.246 3.246 . 0 0 "[ ]" 1
166 1 120 ILE HG12 1 126 TYR H . . 4.040 3.161 3.161 3.161 . 0 0 "[ ]" 1
167 1 37 LEU HB2 1 42 ALA H . . 4.190 3.808 3.808 3.808 . 0 0 "[ ]" 1
168 1 126 TYR H 1 129 ALA MB . . 4.170 4.211 4.211 4.211 0.041 1 0 "[ ]" 1
169 1 37 LEU MD1 1 42 ALA H . . 4.920 4.563 4.563 4.563 . 0 0 "[ ]" 1
170 1 41 GLY H 1 42 ALA H . . 3.280 2.486 2.486 2.486 . 0 0 "[ ]" 1
171 1 40 TYR H 1 42 ALA H . . 4.080 3.772 3.772 3.772 . 0 0 "[ ]" 1
172 1 41 GLY HA2 1 42 ALA H . . 3.520 3.212 3.212 3.212 . 0 0 "[ ]" 1
173 1 41 GLY HA3 1 42 ALA H . . 3.520 3.482 3.482 3.482 . 0 0 "[ ]" 1
174 1 42 ALA H 1 42 ALA MB . . 2.970 2.147 2.147 2.147 . 0 0 "[ ]" 1
175 1 152 TYR H 1 153 ARG H . . 4.600 4.438 4.438 4.438 . 0 0 "[ ]" 1
176 1 53 TYR HA 1 54 ASP H . . 3.320 2.418 2.418 2.418 . 0 0 "[ ]" 1
177 1 151 LYS HB2 1 152 TYR H . . 3.810 2.949 2.949 2.949 . 0 0 "[ ]" 1
178 1 13 SER H 1 14 TYR H . . 4.800 4.155 4.155 4.155 . 0 0 "[ ]" 1
179 1 149 LEU QB 1 152 TYR H . . 4.890 4.687 4.687 4.687 . 0 0 "[ ]" 1
180 1 120 ILE HA 1 124 MET H . . 3.300 2.787 2.787 2.787 . 0 0 "[ ]" 1
181 1 12 VAL HA 1 13 SER H . . 3.190 2.153 2.153 2.153 . 0 0 "[ ]" 1
182 1 50 GLU HA 1 51 VAL H . . 3.040 2.298 2.298 2.298 . 0 0 "[ ]" 1
183 1 13 SER H 1 13 SER HB2 . . 3.700 3.007 3.007 3.007 . 0 0 "[ ]" 1
184 1 124 MET H 1 124 MET HG2 . . 4.850 4.618 4.618 4.618 . 0 0 "[ ]" 1
185 1 120 ILE HG13 1 124 MET H . . 4.820 4.826 4.826 4.826 0.006 1 0 "[ ]" 1
186 1 124 MET H 1 124 MET QB . . 2.930 2.183 2.183 2.183 . 0 0 "[ ]" 1
187 1 120 ILE MD 1 124 MET H . . 4.830 4.839 4.839 4.839 0.009 1 0 "[ ]" 1
188 1 12 VAL MG2 1 13 SER H . . 3.540 3.139 3.139 3.139 . 0 0 "[ ]" 1
189 1 51 VAL H 1 51 VAL MG2 . . 3.000 2.177 2.177 2.177 . 0 0 "[ ]" 1
190 1 63 ILE H 1 64 THR H . . 4.510 4.525 4.525 4.525 0.015 1 0 "[ ]" 1
191 1 63 ILE H 1 63 ILE HG12 . . 4.060 3.831 3.831 3.831 . 0 0 "[ ]" 1
192 1 63 ILE H 1 63 ILE MG . . 3.960 3.867 3.867 3.867 . 0 0 "[ ]" 1
193 1 61 ASP H 1 63 ILE H . . 3.940 3.601 3.601 3.601 . 0 0 "[ ]" 1
194 1 63 ILE H 1 63 ILE HB . . 3.180 2.542 2.542 2.542 . 0 0 "[ ]" 1
195 1 63 ILE H 1 63 ILE HG13 . . 3.600 2.657 2.657 2.657 . 0 0 "[ ]" 1
196 1 74 ALA H 1 74 ALA MB . . 2.940 2.271 2.271 2.271 . 0 0 "[ ]" 1
197 1 140 ALA H 1 140 ALA MB . . 3.100 2.634 2.634 2.634 . 0 0 "[ ]" 1
198 1 39 LYS H 1 39 LYS HG2 . . 4.580 4.580 4.580 4.580 . 0 0 "[ ]" 1
199 1 146 LEU H 1 146 LEU HB2 . . 3.780 2.537 2.537 2.537 . 0 0 "[ ]" 1
200 1 155 LYS H 1 155 LYS HB2 . . 3.420 2.891 2.891 2.891 . 0 0 "[ ]" 1
201 1 146 LEU H 1 146 LEU HB3 . . 3.780 3.708 3.708 3.708 . 0 0 "[ ]" 1
202 1 146 LEU H 1 146 LEU MD2 . . 3.400 2.404 2.404 2.404 . 0 0 "[ ]" 1
203 1 81 VAL H 1 83 ASP H . . 4.480 4.439 4.439 4.439 . 0 0 "[ ]" 1
204 1 54 ASP HA 1 55 LYS H . . 3.250 2.093 2.093 2.093 . 0 0 "[ ]" 1
205 1 80 VAL HA 1 83 ASP H . . 3.710 3.464 3.464 3.464 . 0 0 "[ ]" 1
206 1 81 VAL MG2 1 83 ASP H . . 4.230 4.191 4.191 4.191 . 0 0 "[ ]" 1
207 1 102 VAL H 1 102 VAL HB . . 4.210 3.875 3.875 3.875 . 0 0 "[ ]" 1
208 1 35 GLU H 1 36 ASP H . . 3.380 2.601 2.601 2.601 . 0 0 "[ ]" 1
209 1 19 PHE H 1 19 PHE QD . . 3.740 3.370 3.370 3.370 . 0 0 "[ ]" 1
210 1 18 ARG HA 1 19 PHE H . . 3.190 2.160 2.160 2.160 . 0 0 "[ ]" 1
211 1 36 ASP H 1 36 ASP HB2 . . 3.680 2.232 2.232 2.232 . 0 0 "[ ]" 1
212 1 21 ILE MG 1 102 VAL H . . 3.540 3.577 3.577 3.577 0.037 1 0 "[ ]" 1
213 1 147 THR H 1 148 TYR H . . 3.700 2.733 2.733 2.733 . 0 0 "[ ]" 1
214 1 71 ASP HA 1 72 ASP H . . 3.380 2.604 2.604 2.604 . 0 0 "[ ]" 1
215 1 147 THR HA 1 148 TYR H . . 3.390 3.324 3.324 3.324 . 0 0 "[ ]" 1
216 1 146 LEU HA 1 148 TYR H . . 4.140 3.392 3.392 3.392 . 0 0 "[ ]" 1
217 1 148 TYR H 1 148 TYR QB . . 2.930 2.206 2.206 2.206 . 0 0 "[ ]" 1
218 1 72 ASP H 1 72 ASP QB . . 3.260 2.127 2.127 2.127 . 0 0 "[ ]" 1
219 1 58 LEU H 1 59 GLU H . . 3.260 2.818 2.818 2.818 . 0 0 "[ ]" 1
220 1 71 ASP H 1 71 ASP QB . . 3.330 2.879 2.879 2.879 . 0 0 "[ ]" 1
221 1 131 GLN QB 1 132 PHE H . . 3.510 3.123 3.123 3.123 . 0 0 "[ ]" 1
222 1 59 GLU H 1 59 GLU HB2 . . 3.330 2.639 2.639 2.639 . 0 0 "[ ]" 1
223 1 59 GLU H 1 60 LYS QD . . 4.180 3.871 3.871 3.871 . 0 0 "[ ]" 1
224 1 71 ASP H 1 74 ALA MB . . 4.340 3.062 3.062 3.062 . 0 0 "[ ]" 1
225 1 147 THR MG 1 148 TYR H . . 4.820 4.213 4.213 4.213 . 0 0 "[ ]" 1
226 1 148 TYR H 1 149 LEU QB . . 5.230 4.659 4.659 4.659 . 0 0 "[ ]" 1
227 1 17 MET H 1 17 MET HB3 . . 4.170 3.638 3.638 3.638 . 0 0 "[ ]" 1
228 1 126 TYR H 1 127 GLU H . . 4.060 2.959 2.959 2.959 . 0 0 "[ ]" 1
229 1 126 TYR QD 1 127 GLU H . . 3.930 3.302 3.302 3.302 . 0 0 "[ ]" 1
230 1 126 TYR QB 1 127 GLU H . . 3.780 3.611 3.611 3.611 . 0 0 "[ ]" 1
231 1 127 GLU H 1 128 ASP QB . . 4.990 4.605 4.605 4.605 . 0 0 "[ ]" 1
232 1 127 GLU H 1 127 GLU HB2 . . 3.070 2.435 2.435 2.435 . 0 0 "[ ]" 1
233 1 60 LYS H 1 61 ASP H . . 3.290 2.613 2.613 2.613 . 0 0 "[ ]" 1
234 1 56 THR HA 1 60 LYS H . . 4.370 3.873 3.873 3.873 . 0 0 "[ ]" 1
235 1 60 LYS H 1 60 LYS QB . . 3.010 2.223 2.223 2.223 . 0 0 "[ ]" 1
236 1 60 LYS H 1 60 LYS QD . . 3.160 2.385 2.385 2.385 . 0 0 "[ ]" 1
237 1 127 GLU H 1 129 ALA MB . . 4.810 4.534 4.534 4.534 . 0 0 "[ ]" 1
238 1 115 VAL H 1 115 VAL MG1 . . 4.130 3.781 3.781 3.781 . 0 0 "[ ]" 1
239 1 150 GLU H 1 151 LYS H . . 3.460 2.648 2.648 2.648 . 0 0 "[ ]" 1
240 1 149 LEU QB 1 150 GLU H . . 3.780 2.659 2.659 2.659 . 0 0 "[ ]" 1
241 1 118 ALA H 1 118 ALA MB . . 3.060 2.279 2.279 2.279 . 0 0 "[ ]" 1
242 1 117 LEU HB2 1 118 ALA H . . 3.570 3.595 3.595 3.595 0.025 1 0 "[ ]" 1
243 1 134 ARG H 1 134 ARG QB . . 2.930 2.270 2.270 2.270 . 0 0 "[ ]" 1
244 1 34 ILE MG 1 35 GLU H . . 3.560 3.399 3.399 3.399 . 0 0 "[ ]" 1
245 1 61 ASP H 1 62 GLY H . . 3.100 2.352 2.352 2.352 . 0 0 "[ ]" 1
246 1 59 GLU HA 1 61 ASP H . . 3.950 3.883 3.883 3.883 . 0 0 "[ ]" 1
247 1 60 LYS HA 1 61 ASP H . . 3.160 3.229 3.229 3.229 0.069 1 0 "[ ]" 1
248 1 61 ASP H 1 61 ASP HB2 . . 3.270 2.689 2.689 2.689 . 0 0 "[ ]" 1
249 1 61 ASP H 1 61 ASP HB3 . . 3.270 2.612 2.612 2.612 . 0 0 "[ ]" 1
250 1 60 LYS QB 1 61 ASP H . . 3.840 3.292 3.292 3.292 . 0 0 "[ ]" 1
251 1 60 LYS QD 1 61 ASP H . . 4.650 4.402 4.402 4.402 . 0 0 "[ ]" 1
252 1 61 ASP H 1 63 ILE HB . . 5.050 4.913 4.913 4.913 . 0 0 "[ ]" 1
253 1 37 LEU H 1 40 TYR H . . 4.980 4.853 4.853 4.853 . 0 0 "[ ]" 1
254 1 33 PHE QE 1 37 LEU H . . 5.500 5.525 5.525 5.525 0.025 1 0 "[ ]" 1
255 1 34 ILE HA 1 37 LEU H . . 3.920 3.659 3.659 3.659 . 0 0 "[ ]" 1
256 1 88 VAL HA 1 90 ALA H . . 5.280 4.520 4.520 4.520 . 0 0 "[ ]" 1
257 1 90 ALA H 1 93 CYS QB . . 5.500 4.294 4.294 4.294 . 0 0 "[ ]" 1
258 1 37 LEU H 1 37 LEU HB3 . . 3.430 2.698 2.698 2.698 . 0 0 "[ ]" 1
259 1 128 ASP H 1 129 ALA H . . 3.120 2.385 2.385 2.385 . 0 0 "[ ]" 1
260 1 128 ASP H 1 128 ASP QB . . 2.930 2.267 2.267 2.267 . 0 0 "[ ]" 1
261 1 127 GLU HB2 1 128 ASP H . . 3.070 2.762 2.762 2.762 . 0 0 "[ ]" 1
262 1 94 GLU H 1 95 ALA H . . 3.140 2.779 2.779 2.779 . 0 0 "[ ]" 1
263 1 93 CYS QB 1 94 GLU H . . 3.020 2.447 2.447 2.447 . 0 0 "[ ]" 1
264 1 90 ALA MB 1 94 GLU H . . 4.090 4.126 4.126 4.126 0.036 1 0 "[ ]" 1
265 1 93 CYS H 1 94 GLU H . . 3.080 2.276 2.276 2.276 . 0 0 "[ ]" 1
266 1 94 GLU H 1 94 GLU QB . . 2.830 2.324 2.324 2.324 . 0 0 "[ ]" 1
267 1 85 LEU HA 1 89 LYS H . . 4.360 3.778 3.778 3.778 . 0 0 "[ ]" 1
268 1 89 LYS H 1 89 LYS QB . . 2.760 2.114 2.114 2.114 . 0 0 "[ ]" 1
269 1 88 VAL MG2 1 89 LYS H . . 3.960 3.905 3.905 3.905 . 0 0 "[ ]" 1
270 1 131 GLN H 1 132 PHE H . . 3.300 2.718 2.718 2.718 . 0 0 "[ ]" 1
271 1 131 GLN H 1 131 GLN QB . . 2.970 2.384 2.384 2.384 . 0 0 "[ ]" 1
272 1 130 ILE HB 1 131 GLN H . . 3.190 2.328 2.328 2.328 . 0 0 "[ ]" 1
273 1 130 ILE MG 1 131 GLN H . . 3.500 3.415 3.415 3.415 . 0 0 "[ ]" 1
274 1 81 VAL H 1 81 VAL HB . . 3.730 3.595 3.595 3.595 . 0 0 "[ ]" 1
275 1 10 VAL H 1 20 LEU MD1 . . 4.210 3.367 3.367 3.367 . 0 0 "[ ]" 1
276 1 81 VAL H 1 82 GLU H . . 3.540 3.136 3.136 3.136 . 0 0 "[ ]" 1
277 1 80 VAL H 1 81 VAL H . . 3.370 2.843 2.843 2.843 . 0 0 "[ ]" 1
278 1 44 THR H 1 44 THR HB . . 3.300 2.705 2.705 2.705 . 0 0 "[ ]" 1
279 1 80 VAL HB 1 81 VAL H . . 3.390 3.236 3.236 3.236 . 0 0 "[ ]" 1
280 1 43 THR MG 1 44 THR H . . 3.910 3.989 3.989 3.989 0.079 1 0 "[ ]" 1
281 1 81 VAL H 1 81 VAL MG1 . . 3.330 2.110 2.110 2.110 . 0 0 "[ ]" 1
282 1 10 VAL H 1 10 VAL MG2 . . 3.450 2.845 2.845 2.845 . 0 0 "[ ]" 1
283 1 81 VAL H 1 81 VAL MG2 . . 2.840 2.130 2.130 2.130 . 0 0 "[ ]" 1
284 1 44 THR H 1 63 ILE MG . . 4.440 3.656 3.656 3.656 . 0 0 "[ ]" 1
285 1 84 TRP HE3 1 85 LEU H . . 3.970 3.034 3.034 3.034 . 0 0 "[ ]" 1
286 1 84 TRP HB3 1 85 LEU H . . 4.020 2.351 2.351 2.351 . 0 0 "[ ]" 1
287 1 85 LEU H 1 85 LEU HB3 . . 3.760 3.731 3.731 3.731 . 0 0 "[ ]" 1
288 1 85 LEU H 1 85 LEU HG . . 4.040 4.034 4.034 4.034 . 0 0 "[ ]" 1
289 1 34 ILE H 1 35 GLU H . . 3.460 2.749 2.749 2.749 . 0 0 "[ ]" 1
290 1 33 PHE QD 1 34 ILE H . . 3.770 2.977 2.977 2.977 . 0 0 "[ ]" 1
291 1 30 LEU HA 1 34 ILE H . . 3.690 3.695 3.695 3.695 0.005 1 0 "[ ]" 1
292 1 112 PRO HA 1 114 LEU H . . 4.630 3.525 3.525 3.525 . 0 0 "[ ]" 1
293 1 34 ILE H 1 34 ILE HB . . 3.000 2.539 2.539 2.539 . 0 0 "[ ]" 1
294 1 113 VAL HB 1 114 LEU H . . 4.200 4.094 4.094 4.094 . 0 0 "[ ]" 1
295 1 114 LEU H 1 114 LEU HG . . 4.480 4.429 4.429 4.429 . 0 0 "[ ]" 1
296 1 34 ILE H 1 34 ILE QG . . 2.980 2.107 2.107 2.107 . 0 0 "[ ]" 1
297 1 114 LEU H 1 114 LEU QB . . 3.480 2.271 2.271 2.271 . 0 0 "[ ]" 1
298 1 114 LEU H 1 115 VAL MG2 . . 4.540 4.302 4.302 4.302 . 0 0 "[ ]" 1
299 1 155 LYS QD 1 156 GLN H . . 3.570 2.388 2.388 2.388 . 0 0 "[ ]" 1
300 1 90 ALA MB 1 91 LYS H . . 2.900 2.643 2.643 2.643 . 0 0 "[ ]" 1
301 1 91 LYS H 1 91 LYS QB . . 2.790 2.536 2.536 2.536 . 0 0 "[ ]" 1
302 1 91 LYS H 1 91 LYS QG . . 3.400 2.146 2.146 2.146 . 0 0 "[ ]" 1
303 1 80 VAL H 1 82 GLU H . . 5.290 4.958 4.958 4.958 . 0 0 "[ ]" 1
304 1 82 GLU H 1 82 GLU QG . . 2.980 2.194 2.194 2.194 . 0 0 "[ ]" 1
305 1 82 GLU H 1 82 GLU QB . . 2.920 2.699 2.699 2.699 . 0 0 "[ ]" 1
306 1 50 GLU H 1 69 PRO QG . . 4.440 2.964 2.964 2.964 . 0 0 "[ ]" 1
307 1 134 ARG H 1 135 GLN H . . 3.380 2.806 2.806 2.806 . 0 0 "[ ]" 1
308 1 50 GLU H 1 51 VAL HA . . 4.380 4.407 4.407 4.407 0.027 1 0 "[ ]" 1
309 1 135 GLN H 1 135 GLN HG2 . . 3.370 3.418 3.418 3.418 0.048 1 0 "[ ]" 1
310 1 135 GLN H 1 135 GLN HB2 . . 3.600 3.472 3.472 3.472 . 0 0 "[ ]" 1
311 1 134 ARG QB 1 135 GLN H . . 3.440 3.252 3.252 3.252 . 0 0 "[ ]" 1
312 1 119 LEU H 1 120 ILE H . . 3.850 2.930 2.930 2.930 . 0 0 "[ ]" 1
313 1 133 ILE MG 1 135 GLN H . . 5.500 5.069 5.069 5.069 . 0 0 "[ ]" 1
314 1 118 ALA H 1 119 LEU H . . 3.680 2.581 2.581 2.581 . 0 0 "[ ]" 1
315 1 84 TRP HA 1 88 VAL H . . 4.800 3.808 3.808 3.808 . 0 0 "[ ]" 1
316 1 52 THR H 1 53 TYR H . . 3.780 2.229 2.229 2.229 . 0 0 "[ ]" 1
317 1 91 LYS H 1 93 CYS H . . 4.800 3.883 3.883 3.883 . 0 0 "[ ]" 1
318 1 84 TRP HZ3 1 88 VAL H . . 4.490 4.500 4.500 4.500 0.010 1 0 "[ ]" 1
319 1 87 LEU MD1 1 88 VAL H . . 4.400 4.295 4.295 4.295 . 0 0 "[ ]" 1
320 1 88 VAL H 1 88 VAL MG1 . . 3.840 3.803 3.803 3.803 . 0 0 "[ ]" 1
321 1 88 VAL H 1 88 VAL MG2 . . 3.230 2.055 2.055 2.055 . 0 0 "[ ]" 1
322 1 75 PRO HG2 1 80 VAL H . . 4.500 4.215 4.215 4.215 . 0 0 "[ ]" 1
323 1 136 LYS H 1 136 LYS QB . . 3.170 2.177 2.177 2.177 . 0 0 "[ ]" 1
324 1 116 ALA MB 1 117 LEU H . . 3.750 2.712 2.712 2.712 . 0 0 "[ ]" 1
325 1 98 SER H 1 98 SER QB . . 3.220 2.886 2.886 2.886 . 0 0 "[ ]" 1
326 1 129 ALA MB 1 130 ILE H . . 3.180 2.656 2.656 2.656 . 0 0 "[ ]" 1
327 1 113 VAL H 1 116 ALA MB . . 4.580 4.390 4.390 4.390 . 0 0 "[ ]" 1
328 1 150 GLU HB3 1 151 LYS H . . 3.450 3.463 3.463 3.463 0.013 1 0 "[ ]" 1
329 1 85 LEU HB2 1 86 SER H . . 3.750 2.671 2.671 2.671 . 0 0 "[ ]" 1
330 1 39 LYS H 1 40 TYR H . . 3.440 2.493 2.493 2.493 . 0 0 "[ ]" 1
331 1 86 SER H 1 89 LYS H . . 5.100 4.856 4.856 4.856 . 0 0 "[ ]" 1
332 1 86 SER H 1 86 SER HA . . 2.940 2.843 2.843 2.843 . 0 0 "[ ]" 1
333 1 40 TYR H 1 40 TYR HB2 . . 3.610 2.296 2.296 2.296 . 0 0 "[ ]" 1
334 1 40 TYR H 1 40 TYR HB3 . . 3.610 3.573 3.573 3.573 . 0 0 "[ ]" 1
335 1 39 LYS QD 1 40 TYR H . . 5.060 4.565 4.565 4.565 . 0 0 "[ ]" 1
336 1 122 SER H 1 124 MET QB . . 4.760 4.761 4.761 4.761 0.001 1 0 "[ ]" 1
337 1 40 TYR H 1 42 ALA MB . . 4.330 4.346 4.346 4.346 0.016 1 0 "[ ]" 1
338 1 70 PHE H 1 70 PHE QD . . 3.980 2.316 2.316 2.316 . 0 0 "[ ]" 1
339 1 96 PRO HA 1 97 GLY H . . 2.880 2.959 2.959 2.959 0.079 1 0 "[ ]" 1
340 1 69 PRO HA 1 70 PHE H . . 3.170 2.544 2.544 2.544 . 0 0 "[ ]" 1
341 1 69 PRO QB 1 70 PHE H . . 3.940 4.000 4.000 4.000 0.060 1 0 "[ ]" 1
342 1 40 TYR HB2 1 41 GLY H . . 4.480 3.613 3.613 3.613 . 0 0 "[ ]" 1
343 1 40 TYR HB3 1 41 GLY H . . 4.480 4.122 4.122 4.122 . 0 0 "[ ]" 1
344 1 39 LYS H 1 41 GLY H . . 4.260 3.747 3.747 3.747 . 0 0 "[ ]" 1
345 1 145 GLN HE22 1 146 LEU MD1 . . 4.960 3.271 3.271 3.271 . 0 0 "[ ]" 1
346 1 123 GLY H 1 124 MET QB . . 4.020 3.984 3.984 3.984 . 0 0 "[ ]" 1
347 1 29 THR H 1 30 LEU H . . 3.460 2.222 2.222 2.222 . 0 0 "[ ]" 1
348 1 28 ALA MB 1 29 THR H . . 3.680 2.725 2.725 2.725 . 0 0 "[ ]" 1
349 1 59 GLU HA 1 62 GLY H . . 4.110 3.766 3.766 3.766 . 0 0 "[ ]" 1
350 1 45 VAL H 1 64 THR H . . 4.310 3.956 3.956 3.956 . 0 0 "[ ]" 1
351 1 68 TRP H 1 68 TRP HD1 . . 4.380 4.049 4.049 4.049 . 0 0 "[ ]" 1
352 1 148 TYR H 1 148 TYR QD . . 3.490 2.402 2.402 2.402 . 0 0 "[ ]" 1
353 1 78 GLY H 1 79 LYS H . . 3.880 2.805 2.805 2.805 . 0 0 "[ ]" 1
354 1 16 HIS H 1 17 MET H . . 3.710 2.568 2.568 2.568 . 0 0 "[ ]" 1
355 1 10 VAL H 1 21 ILE H . . 4.080 2.829 2.829 2.829 . 0 0 "[ ]" 1
356 1 53 TYR H 1 53 TYR QE . . 4.560 4.555 4.555 4.555 . 0 0 "[ ]" 1
357 1 147 THR H 1 148 TYR QD . . 4.950 4.308 4.308 4.308 . 0 0 "[ ]" 1
358 1 84 TRP HE1 1 116 ALA H . . 5.500 5.441 5.441 5.441 . 0 0 "[ ]" 1
359 1 14 TYR H 1 15 LYS H . . 4.740 4.569 4.569 4.569 . 0 0 "[ ]" 1
360 1 15 LYS H 1 15 LYS HG3 . . 4.180 3.488 3.488 3.488 . 0 0 "[ ]" 1
361 1 14 TYR H 1 14 TYR HB2 . . 3.810 2.246 2.246 2.246 . 0 0 "[ ]" 1
362 1 129 ALA H 1 131 GLN H . . 5.010 4.697 4.697 4.697 . 0 0 "[ ]" 1
363 1 127 GLU HA 1 129 ALA H . . 5.100 4.672 4.672 4.672 . 0 0 "[ ]" 1
364 1 84 TRP HE1 1 115 VAL MG2 . . 4.750 4.798 4.798 4.798 0.048 1 0 "[ ]" 1
365 1 47 ARG H 1 47 ARG QD . . 5.100 4.617 4.617 4.617 . 0 0 "[ ]" 1
366 1 42 ALA HA 1 101 ALA H . . 5.250 3.861 3.861 3.861 . 0 0 "[ ]" 1
367 1 47 ARG H 1 66 VAL MG2 . . 4.470 4.498 4.498 4.498 0.028 1 0 "[ ]" 1
368 1 47 ARG H 1 66 VAL MG1 . . 5.150 3.907 3.907 3.907 . 0 0 "[ ]" 1
369 1 47 ARG H 1 65 VAL HA . . 5.500 5.539 5.539 5.539 0.039 1 0 "[ ]" 1
370 1 100 VAL H 1 101 ALA H . . 4.940 4.399 4.399 4.399 . 0 0 "[ ]" 1
371 1 46 VAL H 1 47 ARG H . . 4.920 4.256 4.256 4.256 . 0 0 "[ ]" 1
372 1 46 VAL HA 1 66 VAL H . . 4.140 2.868 2.868 2.868 . 0 0 "[ ]" 1
373 1 65 VAL MG2 1 66 VAL H . . 4.190 4.126 4.126 4.126 . 0 0 "[ ]" 1
374 1 46 VAL H 1 66 VAL MG2 . . 5.080 4.952 4.952 4.952 . 0 0 "[ ]" 1
375 1 11 GLU H 1 11 GLU HB2 . . 3.700 3.675 3.675 3.675 . 0 0 "[ ]" 1
376 1 11 GLU H 1 20 LEU MD1 . . 4.310 3.100 3.100 3.100 . 0 0 "[ ]" 1
377 1 45 VAL MG2 1 46 VAL H . . 4.080 3.892 3.892 3.892 . 0 0 "[ ]" 1
378 1 68 TRP HE1 1 80 VAL HA . . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
379 1 68 TRP HE1 1 79 LYS QE . . 5.500 5.503 5.503 5.503 0.003 1 0 "[ ]" 1
380 1 66 VAL MG2 1 68 TRP HE1 . . 5.370 5.327 5.327 5.327 . 0 0 "[ ]" 1
381 1 65 VAL H 1 66 VAL MG2 . . 4.900 4.282 4.282 4.282 . 0 0 "[ ]" 1
382 1 99 CYS HA 1 100 VAL H . . 3.540 2.279 2.279 2.279 . 0 0 "[ ]" 1
383 1 42 ALA HA 1 100 VAL H . . 5.020 4.179 4.179 4.179 . 0 0 "[ ]" 1
384 1 19 PHE HB3 1 100 VAL H . . 4.940 4.865 4.865 4.865 . 0 0 "[ ]" 1
385 1 99 CYS HB2 1 100 VAL H . . 4.510 4.268 4.268 4.268 . 0 0 "[ ]" 1
386 1 99 CYS HB3 1 100 VAL H . . 4.510 3.100 3.100 3.100 . 0 0 "[ ]" 1
387 1 45 VAL H 1 63 ILE HB . . 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
388 1 45 VAL H 1 101 ALA MB . . 4.890 4.904 4.904 4.904 0.014 1 0 "[ ]" 1
389 1 45 VAL H 1 66 VAL H . . 4.850 4.095 4.095 4.095 . 0 0 "[ ]" 1
390 1 12 VAL H 1 19 PHE HB2 . . 4.640 4.372 4.372 4.372 . 0 0 "[ ]" 1
391 1 12 VAL H 1 19 PHE HB3 . . 4.830 4.636 4.636 4.636 . 0 0 "[ ]" 1
392 1 20 LEU H 1 21 ILE H . . 4.920 4.553 4.553 4.553 . 0 0 "[ ]" 1
393 1 9 PRO HA 1 21 ILE H . . 4.960 4.884 4.884 4.884 . 0 0 "[ ]" 1
394 1 9 PRO HB3 1 21 ILE H . . 4.770 4.771 4.771 4.771 0.001 1 0 "[ ]" 1
395 1 20 LEU HB3 1 21 ILE H . . 3.720 3.171 3.171 3.171 . 0 0 "[ ]" 1
396 1 21 ILE H 1 21 ILE MG . . 4.090 3.453 3.453 3.453 . 0 0 "[ ]" 1
397 1 20 LEU HG 1 21 ILE H . . 5.170 4.979 4.979 4.979 . 0 0 "[ ]" 1
398 1 20 LEU MD1 1 21 ILE H . . 4.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
399 1 142 ASN H 1 145 GLN HB3 . . 4.340 3.276 3.276 3.276 . 0 0 "[ ]" 1
400 1 140 ALA MB 1 142 ASN H . . 4.820 4.828 4.828 4.828 0.008 1 0 "[ ]" 1
401 1 140 ALA HA 1 142 ASN H . . 4.980 3.695 3.695 3.695 . 0 0 "[ ]" 1
402 1 140 ALA H 1 142 ASN H . . 5.500 4.993 4.993 4.993 . 0 0 "[ ]" 1
403 1 66 VAL HB 1 67 ASP H . . 4.540 4.307 4.307 4.307 . 0 0 "[ ]" 1
404 1 51 VAL MG1 1 67 ASP H . . 4.430 4.472 4.472 4.472 0.042 1 0 "[ ]" 1
405 1 65 VAL MG1 1 67 ASP H . . 4.650 3.653 3.653 3.653 . 0 0 "[ ]" 1
406 1 66 VAL MG2 1 67 ASP H . . 4.320 4.291 4.291 4.291 . 0 0 "[ ]" 1
407 1 66 VAL MG1 1 67 ASP H . . 3.420 3.177 3.177 3.177 . 0 0 "[ ]" 1
408 1 65 VAL HA 1 67 ASP H . . 5.500 5.521 5.521 5.521 0.021 1 0 "[ ]" 1
409 1 46 VAL HA 1 67 ASP H . . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
410 1 87 LEU H 1 88 VAL MG2 . . 4.130 4.165 4.165 4.165 0.035 1 0 "[ ]" 1
411 1 66 VAL MG1 1 68 TRP H . . 5.220 3.658 3.658 3.658 . 0 0 "[ ]" 1
412 1 120 ILE HA 1 125 LYS H . . 4.740 4.569 4.569 4.569 . 0 0 "[ ]" 1
413 1 68 TRP H 1 68 TRP HB2 . . 3.870 2.288 2.288 2.288 . 0 0 "[ ]" 1
414 1 68 TRP H 1 69 PRO QG . . 4.160 4.163 4.163 4.163 0.003 1 0 "[ ]" 1
415 1 66 VAL HB 1 68 TRP H . . 5.500 4.954 4.954 4.954 . 0 0 "[ ]" 1
416 1 47 ARG H 1 68 TRP H . . 4.610 3.794 3.794 3.794 . 0 0 "[ ]" 1
417 1 85 LEU H 1 87 LEU H . . 4.750 4.240 4.240 4.240 . 0 0 "[ ]" 1
418 1 86 SER QB 1 87 LEU H . . 3.600 2.823 2.823 2.823 . 0 0 "[ ]" 1
419 1 84 TRP HE1 1 115 VAL HA . . 4.310 4.207 4.207 4.207 . 0 0 "[ ]" 1
420 1 29 THR MG 1 30 LEU H . . 4.050 4.082 4.082 4.082 0.032 1 0 "[ ]" 1
421 1 30 LEU H 1 33 PHE HB2 . . 5.100 4.874 4.874 4.874 . 0 0 "[ ]" 1
422 1 33 PHE H 1 34 ILE QG . . 4.820 4.638 4.638 4.638 . 0 0 "[ ]" 1
423 1 124 MET HG3 1 129 ALA H . . 4.460 3.334 3.334 3.334 . 0 0 "[ ]" 1
424 1 14 TYR H 1 18 ARG HA . . 3.610 2.957 2.957 2.957 . 0 0 "[ ]" 1
425 1 82 GLU QG 1 84 TRP H . . 4.360 4.376 4.376 4.376 0.016 1 0 "[ ]" 1
426 1 82 GLU HA 1 84 TRP H . . 4.730 4.197 4.197 4.197 . 0 0 "[ ]" 1
427 1 84 TRP H 1 84 TRP HE3 . . 4.990 5.012 5.012 5.012 0.022 1 0 "[ ]" 1
428 1 68 TRP HZ2 1 84 TRP H . . 4.380 4.234 4.234 4.234 . 0 0 "[ ]" 1
429 1 84 TRP H 1 85 LEU H . . 3.630 3.010 3.010 3.010 . 0 0 "[ ]" 1
430 1 13 SER HA 1 14 TYR H . . 2.870 2.050 2.050 2.050 . 0 0 "[ ]" 1
431 1 19 PHE HB3 1 20 LEU H . . 4.060 3.375 3.375 3.375 . 0 0 "[ ]" 1
432 1 19 PHE HB2 1 20 LEU H . . 4.540 4.463 4.463 4.463 . 0 0 "[ ]" 1
433 1 20 LEU H 1 20 LEU MD1 . . 4.690 4.204 4.204 4.204 . 0 0 "[ ]" 1
434 1 20 LEU H 1 20 LEU HG . . 4.470 4.244 4.244 4.244 . 0 0 "[ ]" 1
435 1 14 TYR H 1 14 TYR QD . . 4.350 4.012 4.012 4.012 . 0 0 "[ ]" 1
436 1 14 TYR H 1 18 ARG HG3 . . 4.230 4.204 4.204 4.204 . 0 0 "[ ]" 1
437 1 12 VAL MG2 1 14 TYR H . . 4.620 4.038 4.038 4.038 . 0 0 "[ ]" 1
438 1 126 TYR H 1 128 ASP H . . 4.750 4.454 4.454 4.454 . 0 0 "[ ]" 1
439 1 37 LEU HB3 1 42 ALA H . . 4.910 4.964 4.964 4.964 0.054 1 0 "[ ]" 1
440 1 40 TYR HB3 1 42 ALA H . . 4.390 3.786 3.786 3.786 . 0 0 "[ ]" 1
441 1 40 TYR HB2 1 42 ALA H . . 4.390 3.265 3.265 3.265 . 0 0 "[ ]" 1
442 1 40 TYR HA 1 42 ALA H . . 4.830 4.610 4.610 4.610 . 0 0 "[ ]" 1
443 1 120 ILE H 1 120 ILE MD . . 3.400 2.255 2.255 2.255 . 0 0 "[ ]" 1
444 1 125 LYS QG 1 126 TYR H . . 4.080 3.832 3.832 3.832 . 0 0 "[ ]" 1
445 1 44 THR MG 1 64 THR H . . 4.300 4.171 4.171 4.171 . 0 0 "[ ]" 1
446 1 64 THR H 1 64 THR MG . . 4.570 3.844 3.844 3.844 . 0 0 "[ ]" 1
447 1 44 THR HB 1 64 THR H . . 5.180 5.211 5.211 5.211 0.031 1 0 "[ ]" 1
448 1 152 TYR H 1 153 ARG HA . . 5.500 5.321 5.321 5.321 . 0 0 "[ ]" 1
449 1 50 GLU H 1 51 VAL H . . 4.340 4.142 4.142 4.142 . 0 0 "[ ]" 1
450 1 51 VAL H 1 70 PHE HA . . 3.820 3.649 3.649 3.649 . 0 0 "[ ]" 1
451 1 120 ILE H 1 120 ILE HB . . 3.390 2.271 2.271 2.271 . 0 0 "[ ]" 1
452 1 120 ILE H 1 120 ILE HG13 . . 4.110 3.884 3.884 3.884 . 0 0 "[ ]" 1
453 1 119 LEU HB2 1 120 ILE H . . 4.440 3.991 3.991 3.991 . 0 0 "[ ]" 1
454 1 120 ILE H 1 124 MET QB . . 4.850 4.006 4.006 4.006 . 0 0 "[ ]" 1
455 1 120 ILE H 1 126 TYR QB . . 5.500 5.552 5.552 5.552 0.052 1 0 "[ ]" 1
456 1 38 LYS H 1 42 ALA H . . 5.000 4.939 4.939 4.939 . 0 0 "[ ]" 1
457 1 12 VAL HB 1 13 SER H . . 4.730 4.467 4.467 4.467 . 0 0 "[ ]" 1
458 1 13 SER H 1 18 ARG HG3 . . 5.070 3.476 3.476 3.476 . 0 0 "[ ]" 1
459 1 117 LEU MD2 1 120 ILE H . . 5.500 4.924 4.924 4.924 . 0 0 "[ ]" 1
460 1 120 ILE H 1 121 GLU HG2 . . 5.250 4.378 4.378 4.378 . 0 0 "[ ]" 1
461 1 120 ILE H 1 121 GLU HB2 . . 4.530 4.591 4.591 4.591 0.061 1 0 "[ ]" 1
462 1 63 ILE HB 1 64 THR H . . 4.460 4.195 4.195 4.195 . 0 0 "[ ]" 1
463 1 117 LEU HA 1 120 ILE H . . 4.260 3.574 3.574 3.574 . 0 0 "[ ]" 1
464 1 119 LEU MD2 1 120 ILE H . . 5.080 4.611 4.611 4.611 . 0 0 "[ ]" 1
465 1 71 ASP HA 1 74 ALA H . . 5.160 5.015 5.015 5.015 . 0 0 "[ ]" 1
466 1 154 PRO QD 1 155 LYS H . . 4.900 3.056 3.056 3.056 . 0 0 "[ ]" 1
467 1 153 ARG QD 1 155 LYS H . . 5.280 3.644 3.644 3.644 . 0 0 "[ ]" 1
468 1 120 ILE MG 1 155 LYS H . . 5.500 5.518 5.518 5.518 0.018 1 0 "[ ]" 1
469 1 153 ARG QG 1 155 LYS H . . 3.850 1.954 1.954 1.954 . 0 0 "[ ]" 1
470 1 55 LYS H 1 65 VAL MG1 . . 4.360 4.224 4.224 4.224 . 0 0 "[ ]" 1
471 1 37 LEU MD1 1 39 LYS H . . 4.760 4.490 4.490 4.490 . 0 0 "[ ]" 1
472 1 39 LYS H 1 39 LYS HG3 . . 4.580 4.344 4.344 4.344 . 0 0 "[ ]" 1
473 1 82 GLU QG 1 83 ASP H . . 3.700 1.916 1.916 1.916 . 0 0 "[ ]" 1
474 1 38 LYS QE 1 39 LYS H . . 5.500 4.563 4.563 4.563 . 0 0 "[ ]" 1
475 1 83 ASP H 1 84 TRP HB2 . . 4.960 4.791 4.791 4.791 . 0 0 "[ ]" 1
476 1 146 LEU H 1 148 TYR H . . 5.390 3.696 3.696 3.696 . 0 0 "[ ]" 1
477 1 142 ASN H 1 146 LEU H . . 5.110 4.960 4.960 4.960 . 0 0 "[ ]" 1
478 1 146 LEU H 1 147 THR MG . . 4.880 3.762 3.762 3.762 . 0 0 "[ ]" 1
479 1 15 LYS HG2 1 16 HIS H . . 4.920 2.728 2.728 2.728 . 0 0 "[ ]" 1
480 1 15 LYS HG3 1 16 HIS H . . 4.920 2.718 2.718 2.718 . 0 0 "[ ]" 1
481 1 18 ARG QB 1 19 PHE H . . 3.760 3.766 3.766 3.766 0.006 1 0 "[ ]" 1
482 1 12 VAL HB 1 19 PHE H . . 4.620 4.676 4.676 4.676 0.056 1 0 "[ ]" 1
483 1 19 PHE H 1 19 PHE HB2 . . 3.820 2.555 2.555 2.555 . 0 0 "[ ]" 1
484 1 19 PHE H 1 19 PHE HB3 . . 3.930 3.620 3.620 3.620 . 0 0 "[ ]" 1
485 1 11 GLU HA 1 19 PHE H . . 4.680 4.565 4.565 4.565 . 0 0 "[ ]" 1
486 1 121 GLU H 1 121 GLU HB2 . . 3.330 2.355 2.355 2.355 . 0 0 "[ ]" 1
487 1 113 VAL HA 1 116 ALA H . . 4.670 4.204 4.204 4.204 . 0 0 "[ ]" 1
488 1 56 THR H 1 57 PRO HD2 . . 3.690 1.904 1.904 1.904 . 0 0 "[ ]" 1
489 1 13 SER HB2 1 19 PHE H . . 5.500 5.244 5.244 5.244 . 0 0 "[ ]" 1
490 1 19 PHE HA 1 102 VAL H . . 5.500 5.466 5.466 5.466 . 0 0 "[ ]" 1
491 1 19 PHE H 1 20 LEU H . . 4.620 4.362 4.362 4.362 . 0 0 "[ ]" 1
492 1 55 LYS H 1 56 THR H . . 4.630 4.283 4.283 4.283 . 0 0 "[ ]" 1
493 1 116 ALA H 1 117 LEU H . . 3.850 2.954 2.954 2.954 . 0 0 "[ ]" 1
494 1 114 LEU MD2 1 116 ALA H . . 5.500 5.511 5.511 5.511 0.011 1 0 "[ ]" 1
495 1 36 ASP H 1 37 LEU MD1 . . 4.550 4.608 4.608 4.608 0.058 1 0 "[ ]" 1
496 1 34 ILE MG 1 36 ASP H . . 4.940 4.679 4.679 4.679 . 0 0 "[ ]" 1
497 1 34 ILE HA 1 36 ASP H . . 4.700 3.926 3.926 3.926 . 0 0 "[ ]" 1
498 1 12 VAL HA 1 19 PHE H . . 5.300 4.681 4.681 4.681 . 0 0 "[ ]" 1
499 1 91 LYS HA 1 95 ALA H . . 5.270 5.269 5.269 5.269 . 0 0 "[ ]" 1
500 1 56 THR H 1 58 LEU H . . 5.070 3.452 3.452 3.452 . 0 0 "[ ]" 1
501 1 114 LEU QB 1 116 ALA H . . 4.930 4.664 4.664 4.664 . 0 0 "[ ]" 1
502 1 146 LEU MD2 1 148 TYR H . . 5.240 5.295 5.295 5.295 0.055 1 0 "[ ]" 1
503 1 148 TYR H 1 148 TYR QE . . 5.210 4.705 4.705 4.705 . 0 0 "[ ]" 1
504 1 59 GLU H 1 59 GLU QG . . 3.820 3.890 3.890 3.890 0.070 1 0 "[ ]" 1
505 1 56 THR MG 1 59 GLU H . . 5.070 5.117 5.117 5.117 0.047 1 0 "[ ]" 1
506 1 129 ALA MB 1 132 PHE H . . 4.360 4.386 4.386 4.386 0.026 1 0 "[ ]" 1
507 1 15 LYS HG3 1 17 MET H . . 5.500 5.203 5.203 5.203 . 0 0 "[ ]" 1
508 1 148 TYR QB 1 149 LEU H . . 3.690 3.464 3.464 3.464 . 0 0 "[ ]" 1
509 1 15 LYS HA 1 17 MET H . . 5.250 4.617 4.617 4.617 . 0 0 "[ ]" 1
510 1 17 MET H 1 18 ARG H . . 4.490 4.413 4.413 4.413 . 0 0 "[ ]" 1
511 1 16 HIS HD2 1 17 MET H . . 4.210 4.249 4.249 4.249 0.039 1 0 "[ ]" 1
512 1 148 TYR QD 1 149 LEU H . . 3.620 2.618 2.618 2.618 . 0 0 "[ ]" 1
513 1 14 TYR H 1 17 MET H . . 3.810 3.337 3.337 3.337 . 0 0 "[ ]" 1
514 1 127 GLU H 1 130 ILE H . . 5.210 4.887 4.887 4.887 . 0 0 "[ ]" 1
515 1 127 GLU H 1 127 GLU HG2 . . 3.800 2.605 2.605 2.605 . 0 0 "[ ]" 1
516 1 112 PRO HA 1 115 VAL H . . 4.850 3.271 3.271 3.271 . 0 0 "[ ]" 1
517 1 115 VAL H 1 116 ALA MB . . 4.730 4.380 4.380 4.380 . 0 0 "[ ]" 1
518 1 117 LEU HB3 1 118 ALA H . . 3.570 2.550 2.550 2.550 . 0 0 "[ ]" 1
519 1 84 TRP HZ3 1 118 ALA H . . 4.740 4.388 4.388 4.388 . 0 0 "[ ]" 1
520 1 149 LEU H 1 152 TYR HB2 . . 5.500 5.525 5.525 5.525 0.025 1 0 "[ ]" 1
521 1 127 GLU H 1 127 GLU HG3 . . 3.800 2.700 2.700 2.700 . 0 0 "[ ]" 1
522 1 56 THR H 1 60 LYS H . . 5.220 5.227 5.227 5.227 0.007 1 0 "[ ]" 1
523 1 133 ILE MG 1 134 ARG H . . 3.920 3.996 3.996 3.996 0.076 1 0 "[ ]" 1
524 1 60 LYS H 1 60 LYS QE . . 4.660 4.299 4.299 4.299 . 0 0 "[ ]" 1
525 1 117 LEU MD2 1 118 ALA H . . 4.690 4.702 4.702 4.702 0.012 1 0 "[ ]" 1
526 1 35 GLU H 1 37 LEU HG . . 4.630 4.449 4.449 4.449 . 0 0 "[ ]" 1
527 1 35 GLU H 1 36 ASP HA . . 5.500 5.299 5.299 5.299 . 0 0 "[ ]" 1
528 1 37 LEU H 1 37 LEU HG . . 3.240 1.922 1.922 1.922 . 0 0 "[ ]" 1
529 1 36 ASP HB3 1 37 LEU H . . 3.980 2.742 2.742 2.742 . 0 0 "[ ]" 1
530 1 36 ASP HB2 1 37 LEU H . . 3.980 2.973 2.973 2.973 . 0 0 "[ ]" 1
531 1 90 ALA H 1 90 ALA MB . . 2.670 2.255 2.255 2.255 . 0 0 "[ ]" 1
532 1 128 ASP H 1 130 ILE H . . 4.090 4.079 4.079 4.079 . 0 0 "[ ]" 1
533 1 61 ASP H 1 63 ILE HG13 . . 4.870 4.887 4.887 4.887 0.017 1 0 "[ ]" 1
534 1 61 ASP H 1 63 ILE MD . . 5.060 5.065 5.065 5.065 0.005 1 0 "[ ]" 1
535 1 88 VAL MG2 1 90 ALA H . . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1
536 1 89 LYS QB 1 90 ALA H . . 3.540 2.417 2.417 2.417 . 0 0 "[ ]" 1
537 1 35 GLU H 1 35 GLU HG2 . . 3.450 2.640 2.640 2.640 . 0 0 "[ ]" 1
538 1 52 THR H 1 52 THR MG . . 4.450 2.979 2.979 2.979 . 0 0 "[ ]" 1
539 1 34 ILE H 1 37 LEU H . . 5.140 4.952 4.952 4.952 . 0 0 "[ ]" 1
540 1 88 VAL H 1 90 ALA H . . 4.780 4.393 4.393 4.393 . 0 0 "[ ]" 1
541 1 128 ASP H 1 131 GLN H . . 5.500 5.416 5.416 5.416 . 0 0 "[ ]" 1
542 1 37 LEU H 1 63 ILE MD . . 5.500 5.542 5.542 5.542 0.042 1 0 "[ ]" 1
543 1 92 PHE HB3 1 94 GLU H . . 5.500 5.549 5.549 5.549 0.049 1 0 "[ ]" 1
544 1 51 VAL HB 1 52 THR H . . 5.040 2.953 2.953 2.953 . 0 0 "[ ]" 1
545 1 89 LYS H 1 89 LYS QG . . 3.890 3.881 3.881 3.881 . 0 0 "[ ]" 1
546 1 84 TRP HZ3 1 89 LYS H . . 5.230 5.038 5.038 5.038 . 0 0 "[ ]" 1
547 1 127 GLU H 1 128 ASP H . . 3.330 2.833 2.833 2.833 . 0 0 "[ ]" 1
548 1 81 VAL H 1 117 LEU MD2 . . 5.190 4.678 4.678 4.678 . 0 0 "[ ]" 1
549 1 84 TRP HZ3 1 85 LEU H . . 5.340 5.347 5.347 5.347 0.007 1 0 "[ ]" 1
550 1 34 ILE H 1 37 LEU HG . . 4.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
551 1 85 LEU H 1 88 VAL MG2 . . 5.050 4.696 4.696 4.696 . 0 0 "[ ]" 1
552 1 114 LEU H 1 115 VAL HB . . 5.070 5.090 5.090 5.090 0.020 1 0 "[ ]" 1
553 1 43 THR H 1 44 THR H . . 3.320 2.589 2.589 2.589 . 0 0 "[ ]" 1
554 1 44 THR H 1 101 ALA H . . 4.330 3.798 3.798 3.798 . 0 0 "[ ]" 1
555 1 38 LYS H 1 40 TYR H . . 4.780 4.329 4.329 4.329 . 0 0 "[ ]" 1
556 1 10 VAL H 1 20 LEU HA . . 4.440 4.435 4.435 4.435 . 0 0 "[ ]" 1
557 1 34 ILE HA 1 38 LYS H . . 4.520 3.978 3.978 3.978 . 0 0 "[ ]" 1
558 1 34 ILE H 1 35 GLU HG2 . . 5.220 4.974 4.974 4.974 . 0 0 "[ ]" 1
559 1 33 PHE HB3 1 34 ILE H . . 3.650 2.353 2.353 2.353 . 0 0 "[ ]" 1
560 1 33 PHE H 1 34 ILE H . . 3.540 3.015 3.015 3.015 . 0 0 "[ ]" 1
561 1 79 LYS HA 1 81 VAL H . . 3.870 3.645 3.645 3.645 . 0 0 "[ ]" 1
562 1 89 LYS QB 1 91 LYS H . . 5.160 4.788 4.788 4.788 . 0 0 "[ ]" 1
563 1 91 LYS H 1 94 GLU H . . 4.980 4.915 4.915 4.915 . 0 0 "[ ]" 1
564 1 90 ALA H 1 91 LYS H . . 3.270 2.743 2.743 2.743 . 0 0 "[ ]" 1
565 1 82 GLU H 1 83 ASP H . . 3.570 2.552 2.552 2.552 . 0 0 "[ ]" 1
566 1 51 VAL HB 1 53 TYR H . . 4.510 3.163 3.163 3.163 . 0 0 "[ ]" 1
567 1 85 LEU H 1 88 VAL H . . 5.040 4.924 4.924 4.924 . 0 0 "[ ]" 1
568 1 132 PHE HB3 1 133 ILE H . . 3.770 2.405 2.405 2.405 . 0 0 "[ ]" 1
569 1 91 LYS QG 1 93 CYS H . . 5.500 5.538 5.538 5.538 0.038 1 0 "[ ]" 1
570 1 91 LYS HA 1 93 CYS H . . 4.210 4.035 4.035 4.035 . 0 0 "[ ]" 1
571 1 93 CYS H 1 95 ALA H . . 4.170 3.992 3.992 3.992 . 0 0 "[ ]" 1
572 1 78 GLY QA 1 80 VAL H . . 4.180 4.110 4.110 4.110 . 0 0 "[ ]" 1
573 1 79 LYS QE 1 80 VAL H . . 5.010 3.510 3.510 3.510 . 0 0 "[ ]" 1
574 1 79 LYS QG 1 80 VAL H . . 4.020 2.546 2.546 2.546 . 0 0 "[ ]" 1
575 1 80 VAL H 1 81 VAL MG1 . . 4.650 4.076 4.076 4.076 . 0 0 "[ ]" 1
576 1 57 PRO HD3 1 58 LEU H . . 4.200 3.960 3.960 3.960 . 0 0 "[ ]" 1
577 1 135 GLN HG2 1 136 LYS H . . 4.700 4.206 4.206 4.206 . 0 0 "[ ]" 1
578 1 133 ILE HA 1 136 LYS H . . 4.480 4.524 4.524 4.524 0.044 1 0 "[ ]" 1
579 1 131 GLN HA 1 133 ILE H . . 5.420 4.910 4.910 4.910 . 0 0 "[ ]" 1
580 1 131 GLN QB 1 133 ILE H . . 5.470 5.297 5.297 5.297 . 0 0 "[ ]" 1
581 1 132 PHE HB2 1 133 ILE H . . 3.770 3.512 3.512 3.512 . 0 0 "[ ]" 1
582 1 126 TYR QB 1 130 ILE H . . 4.930 4.619 4.619 4.619 . 0 0 "[ ]" 1
583 1 128 ASP QB 1 130 ILE H . . 4.760 4.760 4.760 4.760 0.000 1 0 "[ ]" 1
584 1 130 ILE H 1 131 GLN QB . . 5.070 4.852 4.852 4.852 . 0 0 "[ ]" 1
585 1 130 ILE H 1 130 ILE HB . . 3.200 2.842 2.842 2.842 . 0 0 "[ ]" 1
586 1 130 ILE H 1 130 ILE HG12 . . 3.710 2.200 2.200 2.200 . 0 0 "[ ]" 1
587 1 130 ILE H 1 130 ILE HG13 . . 3.710 3.712 3.712 3.712 0.002 1 0 "[ ]" 1
588 1 86 SER H 1 88 VAL MG2 . . 5.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
589 1 84 TRP HB3 1 86 SER H . . 5.120 5.115 5.115 5.115 . 0 0 "[ ]" 1
590 1 84 TRP HA 1 86 SER H . . 5.370 4.988 4.988 4.988 . 0 0 "[ ]" 1
591 1 84 TRP HE3 1 86 SER H . . 5.120 4.967 4.967 4.967 . 0 0 "[ ]" 1
592 1 121 GLU HG2 1 122 SER H . . 4.730 4.742 4.742 4.742 0.012 1 0 "[ ]" 1
593 1 147 THR H 1 148 TYR QB . . 4.670 4.486 4.486 4.486 . 0 0 "[ ]" 1
594 1 146 LEU MD1 1 147 THR H . . 4.490 4.549 4.549 4.549 0.059 1 0 "[ ]" 1
595 1 20 LEU MD1 1 40 TYR H . . 5.500 5.305 5.305 5.305 . 0 0 "[ ]" 1
596 1 141 ILE H 1 142 ASN HA . . 4.900 4.542 4.542 4.542 . 0 0 "[ ]" 1
597 1 40 TYR H 1 41 GLY H . . 3.410 2.729 2.729 2.729 . 0 0 "[ ]" 1
598 1 122 SER H 1 122 SER QB . . 3.330 2.394 2.394 2.394 . 0 0 "[ ]" 1
599 1 119 LEU HA 1 122 SER H . . 4.220 3.882 3.882 3.882 . 0 0 "[ ]" 1
600 1 141 ILE H 1 146 LEU HG . . 5.500 5.502 5.502 5.502 0.002 1 0 "[ ]" 1
601 1 70 PHE H 1 71 ASP QB . . 4.730 4.747 4.747 4.747 0.017 1 0 "[ ]" 1
602 1 96 PRO HD2 1 97 GLY H . . 5.500 3.391 3.391 3.391 . 0 0 "[ ]" 1
603 1 95 ALA MB 1 97 GLY H . . 5.150 2.730 2.730 2.730 . 0 0 "[ ]" 1
604 1 68 TRP HB3 1 70 PHE H . . 5.380 5.120 5.120 5.120 . 0 0 "[ ]" 1
605 1 70 PHE H 1 71 ASP HA . . 4.860 4.886 4.886 4.886 0.026 1 0 "[ ]" 1
606 1 37 LEU MD1 1 41 GLY H . . 5.500 5.512 5.512 5.512 0.012 1 0 "[ ]" 1
607 1 43 THR H 1 44 THR HB . . 5.500 4.713 4.713 4.713 . 0 0 "[ ]" 1
608 1 42 ALA H 1 43 THR H . . 4.960 3.704 3.704 3.704 . 0 0 "[ ]" 1
609 1 145 GLN HA 1 145 GLN HE21 . . 5.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
610 1 145 GLN HE21 1 146 LEU HG . . 5.500 4.256 4.256 4.256 . 0 0 "[ ]" 1
611 1 113 VAL H 1 116 ALA H . . 5.080 5.091 5.091 5.091 0.011 1 0 "[ ]" 1
612 1 99 CYS H 1 99 CYS HB3 . . 3.840 3.587 3.587 3.587 . 0 0 "[ ]" 1
613 1 117 LEU H 1 118 ALA H . . 3.820 2.769 2.769 2.769 . 0 0 "[ ]" 1
614 1 119 LEU H 1 120 ILE HA . . 5.500 5.519 5.519 5.519 0.019 1 0 "[ ]" 1
615 1 133 ILE H 1 133 ILE HB . . 3.790 3.683 3.683 3.683 . 0 0 "[ ]" 1
616 1 133 ILE H 1 133 ILE MG . . 3.240 2.572 2.572 2.572 . 0 0 "[ ]" 1
617 1 158 LEU H 1 158 LEU HG . . 4.150 2.383 2.383 2.383 . 0 0 "[ ]" 1
618 1 158 LEU H 1 158 LEU MD1 . . 4.590 3.786 3.786 3.786 . 0 0 "[ ]" 1
619 1 9 PRO HB2 1 10 VAL H . . 4.310 2.487 2.487 2.487 . 0 0 "[ ]" 1
620 1 10 VAL H 1 10 VAL HB . . 3.510 2.555 2.555 2.555 . 0 0 "[ ]" 1
621 1 37 LEU H 1 37 LEU HB2 . . 3.760 3.621 3.621 3.621 . 0 0 "[ ]" 1
622 1 119 LEU H 1 121 GLU H . . 4.670 4.343 4.343 4.343 . 0 0 "[ ]" 1
623 1 86 SER H 1 87 LEU H . . 3.510 2.976 2.976 2.976 . 0 0 "[ ]" 1
624 1 12 VAL H 1 18 ARG HG3 . . 4.970 3.931 3.931 3.931 . 0 0 "[ ]" 1
625 1 100 VAL H 1 101 ALA HA . . 5.310 4.932 4.932 4.932 . 0 0 "[ ]" 1
626 1 12 VAL H 1 19 PHE HA . . 5.500 4.736 4.736 4.736 . 0 0 "[ ]" 1
627 1 148 TYR H 1 149 LEU H . . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
628 1 18 ARG H 1 19 PHE H . . 4.910 4.357 4.357 4.357 . 0 0 "[ ]" 1
629 1 14 TYR H 1 18 ARG H . . 4.900 4.856 4.856 4.856 . 0 0 "[ ]" 1
630 1 18 ARG H 1 92 PHE QD . . 3.410 3.438 3.438 3.438 0.028 1 0 "[ ]" 1
631 1 18 ARG H 1 92 PHE HB2 . . 4.880 4.106 4.106 4.106 . 0 0 "[ ]" 1
632 1 17 MET HA 1 18 ARG H . . 3.350 2.695 2.695 2.695 . 0 0 "[ ]" 1
633 1 17 MET ME 1 18 ARG H . . 4.970 4.996 4.996 4.996 0.026 1 0 "[ ]" 1
634 1 18 ARG H 1 18 ARG QB . . 3.870 2.731 2.731 2.731 . 0 0 "[ ]" 1
635 1 18 ARG H 1 18 ARG HG2 . . 5.500 4.734 4.734 4.734 . 0 0 "[ ]" 1
636 1 13 SER HA 1 17 MET H . . 5.500 4.851 4.851 4.851 . 0 0 "[ ]" 1
637 1 14 TYR H 1 14 TYR HB3 . . 3.810 3.180 3.180 3.180 . 0 0 "[ ]" 1
638 1 45 VAL HB 1 66 VAL H . . 5.180 4.978 4.978 4.978 . 0 0 "[ ]" 1
639 1 45 VAL H 1 45 VAL HB . . 3.920 3.854 3.854 3.854 . 0 0 "[ ]" 1
640 1 37 LEU MD2 1 45 VAL H . . 5.380 5.386 5.386 5.386 0.006 1 0 "[ ]" 1
641 1 66 VAL HA 1 67 ASP H . . 2.780 2.095 2.095 2.095 . 0 0 "[ ]" 1
642 1 129 ALA H 1 129 ALA MB . . 2.960 2.153 2.153 2.153 . 0 0 "[ ]" 1
643 1 80 VAL H 1 80 VAL MG2 . . 2.950 2.188 2.188 2.188 . 0 0 "[ ]" 1
644 1 80 VAL H 1 80 VAL HB . . 3.010 2.466 2.466 2.466 . 0 0 "[ ]" 1
645 1 29 THR H 1 30 LEU HA . . 4.670 4.684 4.684 4.684 0.014 1 0 "[ ]" 1
646 1 150 GLU H 1 152 TYR H . . 4.370 4.034 4.034 4.034 . 0 0 "[ ]" 1
647 1 71 ASP QB 1 74 ALA H . . 4.040 3.886 3.886 3.886 . 0 0 "[ ]" 1
648 1 59 GLU H 1 60 LYS H . . 3.370 2.529 2.529 2.529 . 0 0 "[ ]" 1
649 1 115 VAL HA 1 118 ALA H . . 3.880 3.613 3.613 3.613 . 0 0 "[ ]" 1
650 1 34 ILE H 1 36 ASP H . . 4.360 4.020 4.020 4.020 . 0 0 "[ ]" 1
651 1 152 TYR HA 1 153 ARG H . . 3.090 2.097 2.097 2.097 . 0 0 "[ ]" 1
652 1 152 TYR HB2 1 153 ARG H . . 4.350 4.371 4.371 4.371 0.021 1 0 "[ ]" 1
653 1 153 ARG H 1 153 ARG QD . . 4.970 4.407 4.407 4.407 . 0 0 "[ ]" 1
654 1 44 THR MG 1 45 VAL H . . 3.430 2.740 2.740 2.740 . 0 0 "[ ]" 1
655 1 45 VAL H 1 45 VAL MG1 . . 3.650 2.728 2.728 2.728 . 0 0 "[ ]" 1
656 1 45 VAL H 1 45 VAL MG2 . . 3.460 2.259 2.259 2.259 . 0 0 "[ ]" 1
657 1 65 VAL H 1 65 VAL MG1 . . 3.830 3.849 3.849 3.849 0.019 1 0 "[ ]" 1
658 1 45 VAL H 1 65 VAL HA . . 3.810 3.087 3.087 3.087 . 0 0 "[ ]" 1
659 1 45 VAL H 1 65 VAL H . . 5.370 4.720 4.720 4.720 . 0 0 "[ ]" 1
660 1 45 VAL H 1 101 ALA H . . 5.500 4.864 4.864 4.864 . 0 0 "[ ]" 1
661 1 37 LEU MD1 1 38 LYS H . . 4.040 2.195 2.195 2.195 . 0 0 "[ ]" 1
662 1 9 PRO HA 1 10 VAL H . . 3.050 2.431 2.431 2.431 . 0 0 "[ ]" 1
663 1 18 ARG HG2 1 20 LEU H . . 5.110 4.847 4.847 4.847 . 0 0 "[ ]" 1
664 1 44 THR H 1 45 VAL H . . 4.340 4.295 4.295 4.295 . 0 0 "[ ]" 1
665 1 11 GLU H 1 12 VAL HA . . 5.200 5.216 5.216 5.216 0.016 1 0 "[ ]" 1
666 1 12 VAL H 1 20 LEU MD1 . . 4.070 4.093 4.093 4.093 0.023 1 0 "[ ]" 1
667 1 14 TYR HA 1 15 LYS H . . 3.400 2.357 2.357 2.357 . 0 0 "[ ]" 1
668 1 74 ALA H 1 75 PRO QD . . 4.350 4.387 4.387 4.387 0.037 1 0 "[ ]" 1
669 1 55 LYS H 1 56 THR MG . . 4.590 4.043 4.043 4.043 . 0 0 "[ ]" 1
670 1 118 ALA MB 1 121 GLU H . . 4.670 4.675 4.675 4.675 0.005 1 0 "[ ]" 1
671 1 15 LYS HB2 1 16 HIS H . . 4.230 3.981 3.981 3.981 . 0 0 "[ ]" 1
672 1 46 VAL H 1 47 ARG HA . . 5.050 4.939 4.939 4.939 . 0 0 "[ ]" 1
673 1 45 VAL HA 1 46 VAL H . . 3.550 2.153 2.153 2.153 . 0 0 "[ ]" 1
674 1 15 LYS H 1 15 LYS HG2 . . 4.180 2.238 2.238 2.238 . 0 0 "[ ]" 1
675 1 84 TRP HE1 1 114 LEU MD1 . . 3.890 2.146 2.146 2.146 . 0 0 "[ ]" 1
676 1 26 THR HB 1 30 LEU H . . 5.010 4.072 4.072 4.072 . 0 0 "[ ]" 1
677 1 44 THR HA 1 64 THR H . . 3.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
678 1 54 ASP H 1 54 ASP HB2 . . 4.180 2.781 2.781 2.781 . 0 0 "[ ]" 1
679 1 54 ASP H 1 54 ASP HB3 . . 4.180 2.718 2.718 2.718 . 0 0 "[ ]" 1
680 1 63 ILE HG12 1 64 THR H . . 4.270 4.218 4.218 4.218 . 0 0 "[ ]" 1
681 1 124 MET H 1 124 MET HG3 . . 4.770 4.558 4.558 4.558 . 0 0 "[ ]" 1
682 1 155 LYS H 1 156 GLN H . . 4.670 4.538 4.538 4.538 . 0 0 "[ ]" 1
683 1 153 ARG HA 1 155 LYS H . . 3.550 3.620 3.620 3.620 0.070 1 0 "[ ]" 1
684 1 154 PRO QB 1 155 LYS H . . 3.970 3.840 3.840 3.840 . 0 0 "[ ]" 1
685 1 93 CYS HA 1 95 ALA H . . 4.530 4.061 4.061 4.061 . 0 0 "[ ]" 1
686 1 32 THR HA 1 36 ASP H . . 4.450 4.467 4.467 4.467 0.017 1 0 "[ ]" 1
687 1 36 ASP H 1 36 ASP HB3 . . 3.680 3.330 3.330 3.330 . 0 0 "[ ]" 1
688 1 112 PRO HA 1 116 ALA H . . 4.430 3.862 3.862 3.862 . 0 0 "[ ]" 1
689 1 120 ILE MG 1 121 GLU H . . 3.710 3.007 3.007 3.007 . 0 0 "[ ]" 1
690 1 101 ALA MB 1 102 VAL H . . 3.600 3.082 3.082 3.082 . 0 0 "[ ]" 1
691 1 12 VAL MG2 1 19 PHE H . . 4.480 4.426 4.426 4.426 . 0 0 "[ ]" 1
692 1 117 LEU HA 1 121 GLU H . . 4.410 4.161 4.161 4.161 . 0 0 "[ ]" 1
693 1 116 ALA H 1 116 ALA MB . . 3.300 2.133 2.133 2.133 . 0 0 "[ ]" 1
694 1 95 ALA H 1 95 ALA MB . . 2.980 2.439 2.439 2.439 . 0 0 "[ ]" 1
695 1 115 VAL H 1 116 ALA H . . 3.790 2.963 2.963 2.963 . 0 0 "[ ]" 1
696 1 132 PHE H 1 132 PHE HB2 . . 3.630 2.301 2.301 2.301 . 0 0 "[ ]" 1
697 1 132 PHE H 1 132 PHE HB3 . . 3.630 2.740 2.740 2.740 . 0 0 "[ ]" 1
698 1 70 PHE QD 1 71 ASP H . . 3.930 3.017 3.017 3.017 . 0 0 "[ ]" 1
699 1 132 PHE H 1 132 PHE QD . . 4.340 4.125 4.125 4.125 . 0 0 "[ ]" 1
700 1 15 LYS HG2 1 17 MET H . . 5.500 5.218 5.218 5.218 . 0 0 "[ ]" 1
701 1 57 PRO HD2 1 58 LEU H . . 4.200 2.937 2.937 2.937 . 0 0 "[ ]" 1
702 1 80 VAL HA 1 82 GLU H . . 4.590 4.241 4.241 4.241 . 0 0 "[ ]" 1
703 1 135 GLN H 1 136 LYS H . . 3.390 2.851 2.851 2.851 . 0 0 "[ ]" 1
704 1 81 VAL MG2 1 82 GLU H . . 3.330 2.064 2.064 2.064 . 0 0 "[ ]" 1
705 1 82 GLU H 1 84 TRP H . . 4.770 3.943 3.943 3.943 . 0 0 "[ ]" 1
706 1 88 VAL H 1 88 VAL HB . . 3.300 2.693 2.693 2.693 . 0 0 "[ ]" 1
707 1 87 LEU HB3 1 88 VAL H . . 3.630 2.379 2.379 2.379 . 0 0 "[ ]" 1
708 1 88 VAL H 1 89 LYS H . . 3.560 2.713 2.713 2.713 . 0 0 "[ ]" 1
709 1 133 ILE HA 1 135 GLN H . . 4.430 3.650 3.650 3.650 . 0 0 "[ ]" 1
710 1 14 TYR QE 1 119 LEU H . . 4.880 4.894 4.894 4.894 0.014 1 0 "[ ]" 1
711 1 52 THR HB 1 53 TYR H . . 4.530 4.383 4.383 4.383 . 0 0 "[ ]" 1
712 1 88 VAL H 1 89 LYS HA . . 5.420 5.438 5.438 5.438 0.018 1 0 "[ ]" 1
713 1 85 LEU HA 1 88 VAL H . . 4.100 3.550 3.550 3.550 . 0 0 "[ ]" 1
714 1 52 THR MG 1 53 TYR H . . 4.460 4.415 4.415 4.415 . 0 0 "[ ]" 1
715 1 119 LEU H 1 119 LEU HB3 . . 3.320 2.677 2.677 2.677 . 0 0 "[ ]" 1
716 1 132 PHE H 1 133 ILE H . . 3.520 2.520 2.520 2.520 . 0 0 "[ ]" 1
717 1 133 ILE H 1 134 ARG H . . 3.790 2.518 2.518 2.518 . 0 0 "[ ]" 1
718 1 133 ILE H 1 133 ILE HG13 . . 4.250 2.312 2.312 2.312 . 0 0 "[ ]" 1
719 1 55 LYS HA 1 58 LEU H . . 4.580 4.583 4.583 4.583 0.003 1 0 "[ ]" 1
720 1 57 PRO HB2 1 58 LEU H . . 3.120 2.883 2.883 2.883 . 0 0 "[ ]" 1
721 1 58 LEU H 1 58 LEU QB . . 3.140 2.311 2.311 2.311 . 0 0 "[ ]" 1
722 1 117 LEU H 1 117 LEU MD1 . . 4.330 4.230 4.230 4.230 . 0 0 "[ ]" 1
723 1 113 VAL H 1 133 ILE MD . . 4.360 4.019 4.019 4.019 . 0 0 "[ ]" 1
724 1 113 VAL H 1 113 VAL HB . . 3.710 2.504 2.504 2.504 . 0 0 "[ ]" 1
725 1 151 LYS H 1 152 TYR HA . . 4.980 4.810 4.810 4.810 . 0 0 "[ ]" 1
726 1 113 VAL H 1 114 LEU H . . 3.660 2.809 2.809 2.809 . 0 0 "[ ]" 1
727 1 86 SER H 1 86 SER QB . . 3.150 2.263 2.263 2.263 . 0 0 "[ ]" 1
728 1 147 THR H 1 147 THR HB . . 4.200 3.732 3.732 3.732 . 0 0 "[ ]" 1
729 1 85 LEU HB3 1 86 SER H . . 3.370 3.427 3.427 3.427 0.057 1 0 "[ ]" 1
730 1 86 SER H 1 89 LYS QG . . 5.500 5.509 5.509 5.509 0.009 1 0 "[ ]" 1
731 1 146 LEU H 1 147 THR H . . 3.870 2.146 2.146 2.146 . 0 0 "[ ]" 1
732 1 121 GLU H 1 122 SER H . . 3.680 2.885 2.885 2.885 . 0 0 "[ ]" 1
733 1 62 GLY H 1 63 ILE HG12 . . 5.500 5.492 5.492 5.492 . 0 0 "[ ]" 1
734 1 62 GLY H 1 63 ILE HG13 . . 4.450 3.970 3.970 3.970 . 0 0 "[ ]" 1
735 1 61 ASP HB3 1 62 GLY H . . 4.230 3.359 3.359 3.359 . 0 0 "[ ]" 1
736 1 61 ASP HB2 1 62 GLY H . . 4.230 4.234 4.234 4.234 0.004 1 0 "[ ]" 1
737 1 120 ILE H 1 124 MET H . . 5.270 5.022 5.022 5.022 . 0 0 "[ ]" 1
738 1 64 THR H 1 64 THR HB . . 3.160 2.529 2.529 2.529 . 0 0 "[ ]" 1
739 1 63 ILE MG 1 64 THR H . . 3.350 2.667 2.667 2.667 . 0 0 "[ ]" 1
740 1 55 LYS HA 1 56 THR H . . 3.440 2.063 2.063 2.063 . 0 0 "[ ]" 1
741 1 88 VAL HA 1 91 LYS H . . 4.350 3.570 3.570 3.570 . 0 0 "[ ]" 1
742 1 44 THR HA 1 64 THR HB . . 3.520 2.552 2.552 2.552 . 0 0 "[ ]" 1
743 1 40 TYR HA 1 40 TYR QD . . 3.580 2.845 2.845 2.845 . 0 0 "[ ]" 1
744 1 152 TYR HA 1 152 TYR QE . . 4.330 4.349 4.349 4.349 0.019 1 0 "[ ]" 1
745 1 39 LYS HA 1 39 LYS HG2 . . 3.680 2.809 2.809 2.809 . 0 0 "[ ]" 1
746 1 75 PRO HG3 1 79 LYS QG . . 4.300 2.772 2.772 2.772 . 0 0 "[ ]" 1
747 1 63 ILE HA 1 63 ILE HG12 . . 3.980 2.450 2.450 2.450 . 0 0 "[ ]" 1
748 1 63 ILE HA 1 63 ILE HG13 . . 3.840 2.944 2.944 2.944 . 0 0 "[ ]" 1
749 1 63 ILE HA 1 63 ILE MD . . 3.920 3.829 3.829 3.829 . 0 0 "[ ]" 1
750 1 161 LYS QG 1 162 ASP HA . . 4.510 4.258 4.258 4.258 . 0 0 "[ ]" 1
751 1 161 LYS HA 1 161 LYS QG . . 3.800 2.646 2.646 2.646 . 0 0 "[ ]" 1
752 1 75 PRO HG2 1 79 LYS QG . . 4.560 2.907 2.907 2.907 . 0 0 "[ ]" 1
753 1 89 LYS HA 1 89 LYS QG . . 3.270 3.238 3.238 3.238 . 0 0 "[ ]" 1
754 1 146 LEU HA 1 146 LEU MD2 . . 3.690 3.222 3.222 3.222 . 0 0 "[ ]" 1
755 1 57 PRO HA 1 58 LEU HA . . 4.840 4.719 4.719 4.719 . 0 0 "[ ]" 1
756 1 59 GLU HA 1 60 LYS HA . . 4.710 4.733 4.733 4.733 0.023 1 0 "[ ]" 1
757 1 30 LEU HA 1 34 ILE QG . . 4.180 3.932 3.932 3.932 . 0 0 "[ ]" 1
758 1 89 LYS HA 1 89 LYS QE . . 4.620 3.278 3.278 3.278 . 0 0 "[ ]" 1
759 1 58 LEU HA 1 61 ASP HB2 . . 4.390 3.147 3.147 3.147 . 0 0 "[ ]" 1
760 1 121 GLU HA 1 121 GLU HG2 . . 3.850 3.166 3.166 3.166 . 0 0 "[ ]" 1
761 1 34 ILE QG 1 35 GLU HG2 . . 5.380 5.405 5.405 5.405 0.025 1 0 "[ ]" 1
762 1 30 LEU HG 1 34 ILE QG . . 4.030 2.849 2.849 2.849 . 0 0 "[ ]" 1
763 1 34 ILE QG 1 58 LEU HG . . 3.840 2.484 2.484 2.484 . 0 0 "[ ]" 1
764 1 134 ARG HA 1 140 ALA MB . . 3.800 2.899 2.899 2.899 . 0 0 "[ ]" 1
765 1 34 ILE MG 1 58 LEU HA . . 3.690 3.208 3.208 3.208 . 0 0 "[ ]" 1
766 1 58 LEU HA 1 58 LEU MD2 . . 3.990 3.490 3.490 3.490 . 0 0 "[ ]" 1
767 1 34 ILE QG 1 34 ILE MG . . 2.730 2.238 2.238 2.238 . 0 0 "[ ]" 1
768 1 38 LYS HA 1 63 ILE MD . . 4.410 3.892 3.892 3.892 . 0 0 "[ ]" 1
769 1 130 ILE MG 1 131 GLN HA . . 4.010 3.558 3.558 3.558 . 0 0 "[ ]" 1
770 1 87 LEU HA 1 87 LEU HG . . 3.170 3.172 3.172 3.172 0.002 1 0 "[ ]" 1
771 1 87 LEU HG 1 91 LYS QG . . 3.630 2.529 2.529 2.529 . 0 0 "[ ]" 1
772 1 95 ALA MB 1 98 SER HA . . 4.160 3.763 3.763 3.763 . 0 0 "[ ]" 1
773 1 87 LEU HA 1 87 LEU MD2 . . 4.050 4.022 4.022 4.022 . 0 0 "[ ]" 1
774 1 91 LYS QG 1 100 VAL MG2 . . 4.140 2.627 2.627 2.627 . 0 0 "[ ]" 1
775 1 92 PHE HA 1 92 PHE QD . . 3.340 3.068 3.068 3.068 . 0 0 "[ ]" 1
776 1 14 TYR QE 1 119 LEU HA . . 4.360 4.404 4.404 4.404 0.044 1 0 "[ ]" 1
777 1 157 ARG HA 1 158 LEU MD2 . . 4.120 4.133 4.133 4.133 0.013 1 0 "[ ]" 1
778 1 85 LEU HA 1 158 LEU MD2 . . 4.250 3.790 3.790 3.790 . 0 0 "[ ]" 1
779 1 81 VAL HA 1 81 VAL MG2 . . 3.500 3.283 3.283 3.283 . 0 0 "[ ]" 1
780 1 145 GLN HA 1 148 TYR QB . . 3.870 3.898 3.898 3.898 0.028 1 0 "[ ]" 1
781 1 145 GLN HA 1 145 GLN HG2 . . 4.070 2.312 2.312 2.312 . 0 0 "[ ]" 1
782 1 121 GLU HB3 1 158 LEU MD2 . . 4.300 4.019 4.019 4.019 . 0 0 "[ ]" 1
783 1 122 SER HA 1 158 LEU HB3 . . 4.690 3.546 3.546 3.546 . 0 0 "[ ]" 1
784 1 37 LEU HA 1 37 LEU HG . . 4.030 3.658 3.658 3.658 . 0 0 "[ ]" 1
785 1 37 LEU HA 1 101 ALA MB . . 4.390 3.482 3.482 3.482 . 0 0 "[ ]" 1
786 1 37 LEU HA 1 42 ALA MB . . 3.410 2.451 2.451 2.451 . 0 0 "[ ]" 1
787 1 145 GLN HA 1 146 LEU MD2 . . 4.870 4.104 4.104 4.104 . 0 0 "[ ]" 1
788 1 20 LEU HG 1 37 LEU HA . . 4.220 3.703 3.703 3.703 . 0 0 "[ ]" 1
789 1 14 TYR HA 1 14 TYR QD . . 3.410 2.546 2.546 2.546 . 0 0 "[ ]" 1
790 1 45 VAL MG2 1 46 VAL HA . . 4.590 4.065 4.065 4.065 . 0 0 "[ ]" 1
791 1 134 ARG HA 1 135 GLN HA . . 4.930 4.907 4.907 4.907 . 0 0 "[ ]" 1
792 1 119 LEU HA 1 122 SER QB . . 4.020 3.684 3.684 3.684 . 0 0 "[ ]" 1
793 1 79 LYS HA 1 81 VAL MG2 . . 4.320 2.582 2.582 2.582 . 0 0 "[ ]" 1
794 1 135 GLN HA 1 135 GLN HG3 . . 3.830 3.740 3.740 3.740 . 0 0 "[ ]" 1
795 1 145 GLN HA 1 145 GLN HG3 . . 4.070 2.453 2.453 2.453 . 0 0 "[ ]" 1
796 1 117 LEU HA 1 117 LEU HG . . 4.030 3.753 3.753 3.753 . 0 0 "[ ]" 1
797 1 119 LEU HA 1 119 LEU HG . . 4.070 3.199 3.199 3.199 . 0 0 "[ ]" 1
798 1 15 LYS HA 1 15 LYS HG2 . . 3.860 3.796 3.796 3.796 . 0 0 "[ ]" 1
799 1 30 LEU HA 1 31 SER HA . . 5.260 4.984 4.984 4.984 . 0 0 "[ ]" 1
800 1 90 ALA HA 1 91 LYS HA . . 5.500 4.873 4.873 4.873 . 0 0 "[ ]" 1
801 1 85 LEU HA 1 86 SER HA . . 4.920 4.829 4.829 4.829 . 0 0 "[ ]" 1
802 1 94 GLU HA 1 94 GLU HG3 . . 4.240 3.727 3.727 3.727 . 0 0 "[ ]" 1
803 1 85 LEU HA 1 87 LEU HB3 . . 5.110 5.039 5.039 5.039 . 0 0 "[ ]" 1
804 1 45 VAL MG2 1 58 LEU HG . . 4.340 4.039 4.039 4.039 . 0 0 "[ ]" 1
805 1 45 VAL MG2 1 63 ILE HB . . 4.360 4.220 4.220 4.220 . 0 0 "[ ]" 1
806 1 45 VAL MG2 1 58 LEU MD2 . . 3.460 2.399 2.399 2.399 . 0 0 "[ ]" 1
807 1 45 VAL MG2 1 65 VAL MG2 . . 3.560 2.005 2.005 2.005 . 0 0 "[ ]" 1
808 1 85 LEU HA 1 85 LEU HG . . 3.980 3.720 3.720 3.720 . 0 0 "[ ]" 1
809 1 37 LEU MD1 1 45 VAL MG2 . . 3.950 3.912 3.912 3.912 . 0 0 "[ ]" 1
810 1 85 LEU HA 1 88 VAL MG2 . . 3.750 3.527 3.527 3.527 . 0 0 "[ ]" 1
811 1 19 PHE QE 1 88 VAL MG1 . . 3.470 2.006 2.006 2.006 . 0 0 "[ ]" 1
812 1 117 LEU MD2 1 148 TYR QD . . 4.600 3.422 3.422 3.422 . 0 0 "[ ]" 1
813 1 84 TRP HZ2 1 115 VAL MG1 . . 4.150 4.154 4.154 4.154 0.004 1 0 "[ ]" 1
814 1 119 LEU MD2 1 126 TYR HA . . 5.170 5.193 5.193 5.193 0.023 1 0 "[ ]" 1
815 1 88 VAL MG1 1 89 LYS HA . . 4.670 4.395 4.395 4.395 . 0 0 "[ ]" 1
816 1 79 LYS HA 1 80 VAL MG2 . . 5.390 5.040 5.040 5.040 . 0 0 "[ ]" 1
817 1 115 VAL MG1 1 116 ALA HA . . 4.490 3.794 3.794 3.794 . 0 0 "[ ]" 1
818 1 30 LEU HA 1 33 PHE HB2 . . 3.840 2.828 2.828 2.828 . 0 0 "[ ]" 1
819 1 88 VAL HA 1 88 VAL MG1 . . 3.510 2.233 2.233 2.233 . 0 0 "[ ]" 1
820 1 91 LYS HA 1 94 GLU QB . . 4.030 3.841 3.841 3.841 . 0 0 "[ ]" 1
821 1 114 LEU HA 1 117 LEU HB2 . . 4.560 3.408 3.408 3.408 . 0 0 "[ ]" 1
822 1 36 ASP HA 1 39 LYS QD . . 4.230 3.579 3.579 3.579 . 0 0 "[ ]" 1
823 1 91 LYS HA 1 91 LYS QD . . 3.080 2.580 2.580 2.580 . 0 0 "[ ]" 1
824 1 114 LEU HA 1 114 LEU HG . . 4.020 2.785 2.785 2.785 . 0 0 "[ ]" 1
825 1 119 LEU MD2 1 120 ILE MD . . 3.400 3.376 3.376 3.376 . 0 0 "[ ]" 1
826 1 114 LEU HA 1 115 VAL MG2 . . 5.110 4.808 4.808 4.808 . 0 0 "[ ]" 1
827 1 68 TRP HE3 1 80 VAL MG2 . . 4.620 4.511 4.511 4.511 . 0 0 "[ ]" 1
828 1 68 TRP HZ3 1 80 VAL MG2 . . 5.280 5.297 5.297 5.297 0.017 1 0 "[ ]" 1
829 1 148 TYR QD 1 149 LEU HA . . 4.480 3.895 3.895 3.895 . 0 0 "[ ]" 1
830 1 19 PHE HZ 1 88 VAL MG1 . . 3.920 2.577 2.577 2.577 . 0 0 "[ ]" 1
831 1 16 HIS HD2 1 88 VAL MG1 . . 5.500 5.506 5.506 5.506 0.006 1 0 "[ ]" 1
832 1 59 GLU HA 1 65 VAL MG2 . . 4.190 2.969 2.969 2.969 . 0 0 "[ ]" 1
833 1 119 LEU MD2 1 129 ALA HA . . 4.430 2.354 2.354 2.354 . 0 0 "[ ]" 1
834 1 58 LEU HA 1 65 VAL MG2 . . 5.500 5.390 5.390 5.390 . 0 0 "[ ]" 1
835 1 64 THR HB 1 65 VAL MG2 . . 5.500 5.399 5.399 5.399 . 0 0 "[ ]" 1
836 1 80 VAL HA 1 80 VAL MG2 . . 3.350 2.329 2.329 2.329 . 0 0 "[ ]" 1
837 1 149 LEU HA 1 152 TYR HB3 . . 4.110 2.719 2.719 2.719 . 0 0 "[ ]" 1
838 1 149 LEU HA 1 152 TYR HB2 . . 4.320 4.133 4.133 4.133 . 0 0 "[ ]" 1
839 1 59 GLU QG 1 65 VAL MG2 . . 4.560 3.352 3.352 3.352 . 0 0 "[ ]" 1
840 1 59 GLU HB2 1 65 VAL MG2 . . 3.360 2.520 2.520 2.520 . 0 0 "[ ]" 1
841 1 55 LYS HB2 1 65 VAL MG2 . . 3.860 2.233 2.233 2.233 . 0 0 "[ ]" 1
842 1 63 ILE HB 1 65 VAL MG2 . . 3.600 3.287 3.287 3.287 . 0 0 "[ ]" 1
843 1 119 LEU HB2 1 119 LEU MD2 . . 3.580 2.304 2.304 2.304 . 0 0 "[ ]" 1
844 1 119 LEU MD2 1 129 ALA MB . . 3.990 2.088 2.088 2.088 . 0 0 "[ ]" 1
845 1 149 LEU HA 1 149 LEU HG . . 3.960 2.656 2.656 2.656 . 0 0 "[ ]" 1
846 1 63 ILE MG 1 65 VAL MG2 . . 3.660 2.469 2.469 2.469 . 0 0 "[ ]" 1
847 1 33 PHE QE 1 37 LEU MD2 . . 4.520 2.443 2.443 2.443 . 0 0 "[ ]" 1
848 1 32 THR HA 1 32 THR MG . . 3.040 2.417 2.417 2.417 . 0 0 "[ ]" 1
849 1 79 LYS HA 1 81 VAL MG1 . . 4.480 4.167 4.167 4.167 . 0 0 "[ ]" 1
850 1 81 VAL MG1 1 84 TRP HB2 . . 4.460 4.298 4.298 4.298 . 0 0 "[ ]" 1
851 1 32 THR MG 1 33 PHE HB3 . . 5.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
852 1 37 LEU MD2 1 45 VAL HB . . 4.610 3.370 3.370 3.370 . 0 0 "[ ]" 1
853 1 87 LEU HG 1 100 VAL MG2 . . 4.450 4.135 4.135 4.135 . 0 0 "[ ]" 1
854 1 91 LYS QD 1 100 VAL MG2 . . 4.630 3.423 3.423 3.423 . 0 0 "[ ]" 1
855 1 91 LYS QB 1 100 VAL MG2 . . 3.460 1.978 1.978 1.978 . 0 0 "[ ]" 1
856 1 37 LEU MD2 1 45 VAL MG2 . . 3.550 3.571 3.571 3.571 0.021 1 0 "[ ]" 1
857 1 88 VAL MG1 1 100 VAL MG2 . . 3.620 3.629 3.629 3.629 0.009 1 0 "[ ]" 1
858 1 37 LEU MD2 1 63 ILE MG . . 4.290 3.808 3.808 3.808 . 0 0 "[ ]" 1
859 1 51 VAL MG2 1 69 PRO HA . . 4.420 4.427 4.427 4.427 0.007 1 0 "[ ]" 1
860 1 26 THR MG 1 30 LEU HA . . 4.620 3.105 3.105 3.105 . 0 0 "[ ]" 1
861 1 56 THR MG 1 57 PRO HD2 . . 4.040 2.031 2.031 2.031 . 0 0 "[ ]" 1
862 1 88 VAL HA 1 100 VAL MG2 . . 4.140 3.600 3.600 3.600 . 0 0 "[ ]" 1
863 1 56 THR MG 1 57 PRO HG2 . . 3.860 3.951 3.951 3.951 0.091 1 0 "[ ]" 1
864 1 125 LYS HA 1 125 LYS QG . . 3.320 2.318 2.318 2.318 . 0 0 "[ ]" 1
865 1 28 ALA MB 1 29 THR MG . . 3.260 2.909 2.909 2.909 . 0 0 "[ ]" 1
866 1 128 ASP HA 1 129 ALA MB . . 5.100 5.018 5.018 5.018 . 0 0 "[ ]" 1
867 1 55 LYS HA 1 65 VAL MG2 . . 4.240 3.532 3.532 3.532 . 0 0 "[ ]" 1
868 1 43 THR MG 1 63 ILE MD . . 4.840 4.215 4.215 4.215 . 0 0 "[ ]" 1
869 1 19 PHE QD 1 100 VAL MG1 . . 4.170 3.594 3.594 3.594 . 0 0 "[ ]" 1
870 1 51 VAL MG2 1 70 PHE QD . . 3.850 3.878 3.878 3.878 0.028 1 0 "[ ]" 1
871 1 19 PHE QE 1 44 THR MG . . 4.990 4.995 4.995 4.995 0.005 1 0 "[ ]" 1
872 1 12 VAL MG1 1 14 TYR QD . . 4.300 3.315 3.315 3.315 . 0 0 "[ ]" 1
873 1 19 PHE HZ 1 100 VAL MG1 . . 3.670 2.666 2.666 2.666 . 0 0 "[ ]" 1
874 1 13 SER HA 1 18 ARG HA . . 3.380 2.316 2.316 2.316 . 0 0 "[ ]" 1
875 1 44 THR MG 1 65 VAL HA . . 4.990 4.521 4.521 4.521 . 0 0 "[ ]" 1
876 1 44 THR MG 1 45 VAL HA . . 3.690 3.577 3.577 3.577 . 0 0 "[ ]" 1
877 1 12 VAL HA 1 12 VAL MG1 . . 3.620 3.324 3.324 3.324 . 0 0 "[ ]" 1
878 1 50 GLU HA 1 51 VAL MG2 . . 4.550 3.931 3.931 3.931 . 0 0 "[ ]" 1
879 1 34 ILE MG 1 35 GLU HA . . 3.980 3.405 3.405 3.405 . 0 0 "[ ]" 1
880 1 44 THR HB 1 100 VAL MG1 . . 3.660 2.625 2.625 2.625 . 0 0 "[ ]" 1
881 1 12 VAL MG2 1 13 SER HB3 . . 5.060 5.068 5.068 5.068 0.008 1 0 "[ ]" 1
882 1 84 TRP HB3 1 114 LEU MD1 . . 5.050 5.106 5.106 5.106 0.056 1 0 "[ ]" 1
883 1 19 PHE HB3 1 100 VAL MG1 . . 4.740 4.770 4.770 4.770 0.030 1 0 "[ ]" 1
884 1 44 THR MG 1 88 VAL HA . . 5.500 5.532 5.532 5.532 0.032 1 0 "[ ]" 1
885 1 128 ASP HA 1 131 GLN HG3 . . 5.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
886 1 124 MET HA 1 124 MET HG3 . . 3.800 2.678 2.678 2.678 . 0 0 "[ ]" 1
887 1 34 ILE MG 1 35 GLU HG2 . . 4.170 3.429 3.429 3.429 . 0 0 "[ ]" 1
888 1 34 ILE MG 1 38 LYS QB . . 4.410 3.448 3.448 3.448 . 0 0 "[ ]" 1
889 1 10 VAL MG2 1 21 ILE QG . . 3.530 3.533 3.533 3.533 0.003 1 0 "[ ]" 1
890 1 15 LYS HB2 1 16 HIS HA . . 5.090 4.832 4.832 4.832 . 0 0 "[ ]" 1
891 1 155 LYS QD 1 156 GLN HA . . 3.950 2.947 2.947 2.947 . 0 0 "[ ]" 1
892 1 18 ARG HA 1 18 ARG HG3 . . 4.040 2.466 2.466 2.466 . 0 0 "[ ]" 1
893 1 87 LEU HG 1 88 VAL MG2 . . 4.400 2.674 2.674 2.674 . 0 0 "[ ]" 1
894 1 18 ARG HA 1 18 ARG HG2 . . 4.190 2.981 2.981 2.981 . 0 0 "[ ]" 1
895 1 44 THR MG 1 91 LYS QB . . 3.230 2.939 2.939 2.939 . 0 0 "[ ]" 1
896 1 120 ILE MD 1 124 MET HA . . 5.450 5.463 5.463 5.463 0.013 1 0 "[ ]" 1
897 1 88 VAL MG1 1 100 VAL MG1 . . 4.440 4.470 4.470 4.470 0.030 1 0 "[ ]" 1
898 1 44 THR MG 1 100 VAL MG2 . . 3.600 2.697 2.697 2.697 . 0 0 "[ ]" 1
899 1 88 VAL MG2 1 100 VAL MG1 . . 4.170 3.974 3.974 3.974 . 0 0 "[ ]" 1
900 1 44 THR MG 1 66 VAL MG2 . . 3.580 2.874 2.874 2.874 . 0 0 "[ ]" 1
901 1 84 TRP HZ3 1 88 VAL MG2 . . 3.810 2.840 2.840 2.840 . 0 0 "[ ]" 1
902 1 33 PHE QD 1 34 ILE MG . . 4.620 4.628 4.628 4.628 0.008 1 0 "[ ]" 1
903 1 10 VAL MG1 1 11 GLU HA . . 4.410 4.006 4.006 4.006 . 0 0 "[ ]" 1
904 1 64 THR MG 1 65 VAL HA . . 4.380 4.006 4.006 4.006 . 0 0 "[ ]" 1
905 1 45 VAL HA 1 101 ALA MB . . 3.670 2.812 2.812 2.812 . 0 0 "[ ]" 1
906 1 9 PRO HA 1 10 VAL MG1 . . 5.470 5.488 5.488 5.488 0.018 1 0 "[ ]" 1
907 1 44 THR MG 1 64 THR HB . . 3.370 2.373 2.373 2.373 . 0 0 "[ ]" 1
908 1 51 VAL HA 1 52 THR MG . . 4.460 3.542 3.542 3.542 . 0 0 "[ ]" 1
909 1 51 VAL MG1 1 68 TRP HB3 . . 5.500 5.516 5.516 5.516 0.016 1 0 "[ ]" 1
910 1 33 PHE HB3 1 34 ILE MG . . 5.500 5.512 5.512 5.512 0.012 1 0 "[ ]" 1
911 1 51 VAL MG1 1 67 ASP HB3 . . 4.520 2.915 2.915 2.915 . 0 0 "[ ]" 1
912 1 50 GLU HG2 1 52 THR MG . . 4.180 3.753 3.753 3.753 . 0 0 "[ ]" 1
913 1 87 LEU HB3 1 88 VAL MG2 . . 4.630 3.052 3.052 3.052 . 0 0 "[ ]" 1
914 1 45 VAL HB 1 101 ALA MB . . 4.620 3.438 3.438 3.438 . 0 0 "[ ]" 1
915 1 64 THR MG 1 65 VAL HB . . 5.000 5.000 5.000 5.000 0.000 1 0 "[ ]" 1
916 1 13 SER HA 1 18 ARG QB . . 4.340 2.909 2.909 2.909 . 0 0 "[ ]" 1
917 1 10 VAL MG1 1 21 ILE QG . . 3.310 2.856 2.856 2.856 . 0 0 "[ ]" 1
918 1 88 VAL MG2 1 118 ALA MB . . 3.930 3.936 3.936 3.936 0.006 1 0 "[ ]" 1
919 1 91 LYS QD 1 100 VAL MG1 . . 3.800 3.850 3.850 3.850 0.050 1 0 "[ ]" 1
920 1 44 THR MG 1 91 LYS QD . . 3.440 1.961 1.961 1.961 . 0 0 "[ ]" 1
921 1 34 ILE MG 1 38 LYS HG3 . . 3.880 3.886 3.886 3.886 0.006 1 0 "[ ]" 1
922 1 100 VAL MG1 1 101 ALA MB . . 4.050 4.077 4.077 4.077 0.027 1 0 "[ ]" 1
923 1 91 LYS QB 1 100 VAL MG1 . . 3.430 3.442 3.442 3.442 0.012 1 0 "[ ]" 1
924 1 87 LEU MD1 1 88 VAL MG2 . . 4.330 3.999 3.999 3.999 . 0 0 "[ ]" 1
925 1 63 ILE MG 1 64 THR MG . . 4.650 4.596 4.596 4.596 . 0 0 "[ ]" 1
926 1 88 VAL MG2 1 100 VAL MG2 . . 4.150 4.098 4.098 4.098 . 0 0 "[ ]" 1
927 1 37 LEU MD1 1 101 ALA MB . . 4.900 3.487 3.487 3.487 . 0 0 "[ ]" 1
928 1 37 LEU MD2 1 101 ALA MB . . 3.330 2.375 2.375 2.375 . 0 0 "[ ]" 1
929 1 55 LYS HA 1 65 VAL MG1 . . 4.600 3.935 3.935 3.935 . 0 0 "[ ]" 1
930 1 50 GLU HA 1 51 VAL MG1 . . 4.410 4.000 4.000 4.000 . 0 0 "[ ]" 1
931 1 51 VAL MG1 1 67 ASP HB2 . . 4.520 2.145 2.145 2.145 . 0 0 "[ ]" 1
932 1 59 GLU QG 1 65 VAL MG1 . . 5.500 5.504 5.504 5.504 0.004 1 0 "[ ]" 1
933 1 116 ALA HA 1 119 LEU HB3 . . 3.950 2.412 2.412 2.412 . 0 0 "[ ]" 1
934 1 116 ALA HA 1 133 ILE MG . . 3.730 2.727 2.727 2.727 . 0 0 "[ ]" 1
935 1 116 ALA HA 1 119 LEU MD2 . . 4.820 2.951 2.951 2.951 . 0 0 "[ ]" 1
936 1 63 ILE MG 1 65 VAL MG1 . . 4.450 4.274 4.274 4.274 . 0 0 "[ ]" 1
937 1 70 PHE HA 1 70 PHE QD . . 4.090 3.715 3.715 3.715 . 0 0 "[ ]" 1
938 1 51 VAL MG1 1 70 PHE QD . . 5.500 5.070 5.070 5.070 . 0 0 "[ ]" 1
939 1 65 VAL HA 1 65 VAL MG1 . . 3.520 2.210 2.210 2.210 . 0 0 "[ ]" 1
940 1 65 VAL MG1 1 66 VAL HA . . 4.460 3.809 3.809 3.809 . 0 0 "[ ]" 1
941 1 68 TRP HB2 1 80 VAL MG1 . . 4.810 4.223 4.223 4.223 . 0 0 "[ ]" 1
942 1 55 LYS HB3 1 65 VAL MG1 . . 3.320 2.072 2.072 2.072 . 0 0 "[ ]" 1
943 1 80 VAL MG1 1 83 ASP HB2 . . 4.560 3.410 3.410 3.410 . 0 0 "[ ]" 1
944 1 18 ARG QB 1 99 CYS HA . . 3.870 2.961 2.961 2.961 . 0 0 "[ ]" 1
945 1 155 LYS HA 1 155 LYS HG2 . . 3.700 2.283 2.283 2.283 . 0 0 "[ ]" 1
946 1 116 ALA HA 1 119 LEU HB2 . . 4.330 2.765 2.765 2.765 . 0 0 "[ ]" 1
947 1 68 TRP HZ3 1 80 VAL MG1 . . 4.580 3.037 3.037 3.037 . 0 0 "[ ]" 1
948 1 68 TRP HH2 1 80 VAL MG1 . . 4.620 3.339 3.339 3.339 . 0 0 "[ ]" 1
949 1 118 ALA HA 1 121 GLU HA . . 5.370 5.332 5.332 5.332 . 0 0 "[ ]" 1
950 1 80 VAL MG1 1 81 VAL HA . . 4.410 4.022 4.022 4.022 . 0 0 "[ ]" 1
951 1 151 LYS HA 1 151 LYS QG . . 3.480 2.267 2.267 2.267 . 0 0 "[ ]" 1
952 1 80 VAL MG1 1 81 VAL MG1 . . 4.350 4.348 4.348 4.348 . 0 0 "[ ]" 1
953 1 130 ILE MG 1 140 ALA MB . . 3.340 2.866 2.866 2.866 . 0 0 "[ ]" 1
954 1 69 PRO HA 1 74 ALA MB . . 4.590 3.294 3.294 3.294 . 0 0 "[ ]" 1
955 1 112 PRO HA 1 140 ALA MB . . 5.440 5.293 5.293 5.293 . 0 0 "[ ]" 1
956 1 69 PRO HD2 1 74 ALA MB . . 5.500 5.505 5.505 5.505 0.005 1 0 "[ ]" 1
957 1 129 ALA HA 1 132 PHE HB2 . . 4.070 2.641 2.641 2.641 . 0 0 "[ ]" 1
958 1 129 ALA HA 1 132 PHE HB3 . . 4.070 2.841 2.841 2.841 . 0 0 "[ ]" 1
959 1 118 ALA HA 1 121 GLU HB3 . . 4.200 4.088 4.088 4.088 . 0 0 "[ ]" 1
960 1 118 ALA HA 1 121 GLU HB2 . . 4.100 2.468 2.468 2.468 . 0 0 "[ ]" 1
961 1 134 ARG QB 1 140 ALA MB . . 3.620 2.265 2.265 2.265 . 0 0 "[ ]" 1
962 1 140 ALA MB 1 146 LEU MD2 . . 3.870 3.311 3.311 3.311 . 0 0 "[ ]" 1
963 1 120 ILE MD 1 129 ALA HA . . 4.320 4.060 4.060 4.060 . 0 0 "[ ]" 1
964 1 42 ALA MB 1 63 ILE MD . . 5.450 5.074 5.074 5.074 . 0 0 "[ ]" 1
965 1 117 LEU MD1 1 118 ALA HA . . 4.530 3.568 3.568 3.568 . 0 0 "[ ]" 1
966 1 42 ALA MB 1 100 VAL HA . . 4.460 3.219 3.219 3.219 . 0 0 "[ ]" 1
967 1 38 LYS HA 1 42 ALA MB . . 5.200 4.309 4.309 4.309 . 0 0 "[ ]" 1
968 1 42 ALA MB 1 99 CYS HB2 . . 4.150 3.455 3.455 3.455 . 0 0 "[ ]" 1
969 1 37 LEU HB3 1 42 ALA MB . . 4.010 2.930 2.930 2.930 . 0 0 "[ ]" 1
970 1 20 LEU HB2 1 42 ALA MB . . 3.960 2.667 2.667 2.667 . 0 0 "[ ]" 1
971 1 37 LEU HB2 1 42 ALA MB . . 4.160 2.118 2.118 2.118 . 0 0 "[ ]" 1
972 1 11 GLU HA 1 18 ARG HG2 . . 3.950 3.763 3.763 3.763 . 0 0 "[ ]" 1
973 1 42 ALA MB 1 101 ALA MB . . 3.040 1.993 1.993 1.993 . 0 0 "[ ]" 1
974 1 42 ALA MB 1 100 VAL MG1 . . 4.760 4.364 4.364 4.364 . 0 0 "[ ]" 1
975 1 20 LEU HB3 1 42 ALA MB . . 4.100 3.816 3.816 3.816 . 0 0 "[ ]" 1
976 1 17 MET HA 1 92 PHE QD . . 3.990 2.397 2.397 2.397 . 0 0 "[ ]" 1
977 1 64 THR MG 1 66 VAL MG1 . . 4.470 4.322 4.322 4.322 . 0 0 "[ ]" 1
978 1 11 GLU HA 1 20 LEU HB3 . . 4.790 4.623 4.623 4.623 . 0 0 "[ ]" 1
979 1 66 VAL MG1 1 87 LEU MD1 . . 4.300 3.005 3.005 3.005 . 0 0 "[ ]" 1
980 1 11 GLU HA 1 20 LEU MD1 . . 3.900 2.209 2.209 2.209 . 0 0 "[ ]" 1
981 1 10 VAL HB 1 21 ILE MG . . 4.720 4.775 4.775 4.775 0.055 1 0 "[ ]" 1
982 1 120 ILE HA 1 129 ALA MB . . 4.510 4.049 4.049 4.049 . 0 0 "[ ]" 1
983 1 90 ALA MB 1 91 LYS HA . . 4.090 3.948 3.948 3.948 . 0 0 "[ ]" 1
984 1 115 VAL HA 1 118 ALA MB . . 3.910 3.508 3.508 3.508 . 0 0 "[ ]" 1
985 1 90 ALA MB 1 94 GLU HG3 . . 5.400 5.032 5.032 5.032 . 0 0 "[ ]" 1
986 1 124 MET HG2 1 129 ALA MB . . 4.510 2.746 2.746 2.746 . 0 0 "[ ]" 1
987 1 90 ALA MB 1 94 GLU QB . . 4.300 3.886 3.886 3.886 . 0 0 "[ ]" 1
988 1 119 LEU HB3 1 129 ALA MB . . 3.690 2.936 2.936 2.936 . 0 0 "[ ]" 1
989 1 89 LYS QB 1 90 ALA MB . . 4.240 3.765 3.765 3.765 . 0 0 "[ ]" 1
990 1 88 VAL HB 1 118 ALA MB . . 4.350 4.112 4.112 4.112 . 0 0 "[ ]" 1
991 1 118 ALA MB 1 119 LEU HB2 . . 4.470 4.401 4.401 4.401 . 0 0 "[ ]" 1
992 1 124 MET QB 1 129 ALA MB . . 3.820 3.013 3.013 3.013 . 0 0 "[ ]" 1
993 1 120 ILE MD 1 129 ALA MB . . 3.450 1.878 1.878 1.878 . 0 0 "[ ]" 1
994 1 119 LEU HG 1 129 ALA MB . . 3.560 2.750 2.750 2.750 . 0 0 "[ ]" 1
995 1 115 VAL MG1 1 118 ALA MB . . 4.280 3.620 3.620 3.620 . 0 0 "[ ]" 1
996 1 95 ALA MB 1 96 PRO HA . . 5.020 4.431 4.431 4.431 . 0 0 "[ ]" 1
997 1 126 TYR HA 1 129 ALA MB . . 3.580 2.054 2.054 2.054 . 0 0 "[ ]" 1
998 1 116 ALA HA 1 129 ALA MB . . 3.990 3.608 3.608 3.608 . 0 0 "[ ]" 1
999 1 95 ALA MB 1 96 PRO QG . . 4.610 3.574 3.574 3.574 . 0 0 "[ ]" 1
1000 1 8 ALA MB 1 9 PRO HG3 . . 4.460 4.482 4.482 4.482 0.022 1 0 "[ ]" 1
1001 1 119 LEU HB2 1 129 ALA MB . . 4.110 4.119 4.119 4.119 0.009 1 0 "[ ]" 1
1002 1 112 PRO HA 1 116 ALA MB . . 4.370 4.409 4.409 4.409 0.039 1 0 "[ ]" 1
1003 1 38 LYS QB 1 63 ILE MG . . 5.500 4.799 4.799 4.799 . 0 0 "[ ]" 1
1004 1 63 ILE MG 1 65 VAL HB . . 5.500 4.836 4.836 4.836 . 0 0 "[ ]" 1
1005 1 7 PRO QG 1 8 ALA MB . . 5.500 5.506 5.506 5.506 0.006 1 0 "[ ]" 1
1006 1 116 ALA MB 1 133 ILE HG12 . . 4.490 2.626 2.626 2.626 . 0 0 "[ ]" 1
1007 1 116 ALA MB 1 133 ILE HG13 . . 4.490 3.835 3.835 3.835 . 0 0 "[ ]" 1
1008 1 45 VAL MG1 1 63 ILE MG . . 3.610 1.992 1.992 1.992 . 0 0 "[ ]" 1
1009 1 45 VAL MG2 1 63 ILE MG . . 3.220 2.285 2.285 2.285 . 0 0 "[ ]" 1
1010 1 63 ILE MD 1 63 ILE MG . . 3.080 2.058 2.058 2.058 . 0 0 "[ ]" 1
1011 1 129 ALA HA 1 133 ILE MG . . 4.500 4.369 4.369 4.369 . 0 0 "[ ]" 1
1012 1 112 PRO HA 1 133 ILE MG . . 4.420 4.312 4.312 4.312 . 0 0 "[ ]" 1
1013 1 113 VAL HA 1 116 ALA MB . . 3.670 2.667 2.667 2.667 . 0 0 "[ ]" 1
1014 1 119 LEU HB2 1 133 ILE MG . . 4.240 3.848 3.848 3.848 . 0 0 "[ ]" 1
1015 1 130 ILE HG13 1 130 ILE MG . . 3.670 2.214 2.214 2.214 . 0 0 "[ ]" 1
1016 1 120 ILE MG 1 126 TYR QB . . 4.440 3.467 3.467 3.467 . 0 0 "[ ]" 1
1017 1 120 ILE MG 1 121 GLU HB3 . . 4.990 4.907 4.907 4.907 . 0 0 "[ ]" 1
1018 1 130 ILE HG12 1 130 ILE MG . . 3.670 3.176 3.176 3.176 . 0 0 "[ ]" 1
1019 1 120 ILE MG 1 124 MET QB . . 4.660 4.078 4.078 4.078 . 0 0 "[ ]" 1
1020 1 130 ILE MG 1 146 LEU MD1 . . 4.250 3.956 3.956 3.956 . 0 0 "[ ]" 1
1021 1 130 ILE MG 1 146 LEU MD2 . . 4.420 4.108 4.108 4.108 . 0 0 "[ ]" 1
1022 1 68 TRP HA 1 68 TRP HD1 . . 3.570 2.079 2.079 2.079 . 0 0 "[ ]" 1
1023 1 153 ARG HA 1 154 PRO QD . . 3.150 2.033 2.033 2.033 . 0 0 "[ ]" 1
1024 1 153 ARG HA 1 154 PRO QG . . 4.100 3.964 3.964 3.964 . 0 0 "[ ]" 1
1025 1 42 ALA HA 1 99 CYS HB3 . . 4.180 2.415 2.415 2.415 . 0 0 "[ ]" 1
1026 1 8 ALA MB 1 9 PRO HD2 . . 3.810 2.132 2.132 2.132 . 0 0 "[ ]" 1
1027 1 95 ALA HA 1 96 PRO HD2 . . 3.260 2.660 2.660 2.660 . 0 0 "[ ]" 1
1028 1 95 ALA HA 1 96 PRO HD3 . . 3.310 2.476 2.476 2.476 . 0 0 "[ ]" 1
1029 1 56 THR HB 1 57 PRO HD3 . . 4.460 3.938 3.938 3.938 . 0 0 "[ ]" 1
1030 1 8 ALA HA 1 9 PRO HD2 . . 3.390 2.407 2.407 2.407 . 0 0 "[ ]" 1
1031 1 116 ALA HA 1 120 ILE MD . . 3.600 3.616 3.616 3.616 0.016 1 0 "[ ]" 1
1032 1 120 ILE MD 1 126 TYR QB . . 3.460 2.509 2.509 2.509 . 0 0 "[ ]" 1
1033 1 120 ILE HB 1 120 ILE MD . . 3.380 2.319 2.319 2.319 . 0 0 "[ ]" 1
1034 1 95 ALA MB 1 96 PRO HD2 . . 3.830 2.056 2.056 2.056 . 0 0 "[ ]" 1
1035 1 95 ALA MB 1 96 PRO HD3 . . 3.980 3.277 3.277 3.277 . 0 0 "[ ]" 1
1036 1 120 ILE MD 1 120 ILE MG . . 3.420 3.203 3.203 3.203 . 0 0 "[ ]" 1
1037 1 119 LEU HG 1 120 ILE MD . . 3.320 2.999 2.999 2.999 . 0 0 "[ ]" 1
1038 1 117 LEU MD2 1 120 ILE MD . . 5.000 4.179 4.179 4.179 . 0 0 "[ ]" 1
1039 1 20 LEU HB2 1 101 ALA HA . . 4.030 2.270 2.270 2.270 . 0 0 "[ ]" 1
1040 1 20 LEU HB3 1 101 ALA HA . . 4.050 3.125 3.125 3.125 . 0 0 "[ ]" 1
1041 1 21 ILE MD 1 21 ILE MG . . 3.080 2.069 2.069 2.069 . 0 0 "[ ]" 1
1042 1 130 ILE MD 1 146 LEU HA . . 4.080 3.933 3.933 3.933 . 0 0 "[ ]" 1
1043 1 34 ILE HA 1 63 ILE MD . . 4.230 3.815 3.815 3.815 . 0 0 "[ ]" 1
1044 1 58 LEU QB 1 63 ILE MD . . 4.090 2.482 2.482 2.482 . 0 0 "[ ]" 1
1045 1 12 VAL HB 1 21 ILE MD . . 4.520 2.203 2.203 2.203 . 0 0 "[ ]" 1
1046 1 126 TYR QE 1 150 GLU QG . . 4.030 4.074 4.074 4.074 0.044 1 0 "[ ]" 1
1047 1 10 VAL HB 1 21 ILE MD . . 3.830 3.255 3.255 3.255 . 0 0 "[ ]" 1
1048 1 38 LYS QB 1 63 ILE MD . . 3.970 2.327 2.327 2.327 . 0 0 "[ ]" 1
1049 1 130 ILE HB 1 130 ILE MD . . 3.380 3.255 3.255 3.255 . 0 0 "[ ]" 1
1050 1 45 VAL MG1 1 63 ILE MD . . 3.420 3.035 3.035 3.035 . 0 0 "[ ]" 1
1051 1 130 ILE MD 1 146 LEU MD2 . . 3.200 3.081 3.081 3.081 . 0 0 "[ ]" 1
1052 1 34 ILE MG 1 63 ILE MD . . 3.030 2.331 2.331 2.331 . 0 0 "[ ]" 1
1053 1 133 ILE MD 1 134 ARG HA . . 4.690 3.978 3.978 3.978 . 0 0 "[ ]" 1
1054 1 112 PRO HA 1 133 ILE MD . . 4.110 3.905 3.905 3.905 . 0 0 "[ ]" 1
1055 1 116 ALA HA 1 133 ILE MD . . 3.790 3.855 3.855 3.855 0.065 1 0 "[ ]" 1
1056 1 133 ILE HB 1 133 ILE MD . . 3.210 2.228 2.228 2.228 . 0 0 "[ ]" 1
1057 1 116 ALA MB 1 133 ILE MD . . 3.220 1.878 1.878 1.878 . 0 0 "[ ]" 1
1058 1 133 ILE MD 1 140 ALA MB . . 3.660 1.932 1.932 1.932 . 0 0 "[ ]" 1
1059 1 53 TYR QE 1 55 LYS HA . . 4.340 2.490 2.490 2.490 . 0 0 "[ ]" 1
1060 1 53 TYR QE 1 58 LEU QB . . 4.570 4.337 4.337 4.337 . 0 0 "[ ]" 1
1061 1 53 TYR QE 1 58 LEU HG . . 3.850 3.351 3.351 3.351 . 0 0 "[ ]" 1
1062 1 39 LYS QD 1 40 TYR QE . . 4.460 4.114 4.114 4.114 . 0 0 "[ ]" 1
1063 1 20 LEU HB2 1 101 ALA MB . . 4.140 2.664 2.664 2.664 . 0 0 "[ ]" 1
1064 1 68 TRP HZ2 1 83 ASP HB2 . . 4.280 4.118 4.118 4.118 . 0 0 "[ ]" 1
1065 1 68 TRP HZ2 1 83 ASP HB3 . . 4.280 2.395 2.395 2.395 . 0 0 "[ ]" 1
1066 1 66 VAL MG1 1 68 TRP HZ2 . . 4.060 3.525 3.525 3.525 . 0 0 "[ ]" 1
1067 1 84 TRP HZ2 1 115 VAL HA . . 3.660 2.304 2.304 2.304 . 0 0 "[ ]" 1
1068 1 18 ARG QB 1 18 ARG HD3 . . 3.910 2.802 2.802 2.802 . 0 0 "[ ]" 1
1069 1 84 TRP HZ2 1 118 ALA MB . . 3.890 3.392 3.392 3.392 . 0 0 "[ ]" 1
1070 1 18 ARG QB 1 18 ARG HD2 . . 3.910 2.174 2.174 2.174 . 0 0 "[ ]" 1
1071 1 19 PHE HB3 1 21 ILE MD . . 4.110 3.590 3.590 3.590 . 0 0 "[ ]" 1
1072 1 19 PHE HB2 1 88 VAL MG1 . . 4.780 4.851 4.851 4.851 0.071 1 0 "[ ]" 1
1073 1 157 ARG HA 1 157 ARG QD . . 3.800 3.407 3.407 3.407 . 0 0 "[ ]" 1
1074 1 68 TRP HH2 1 87 LEU HB2 . . 4.860 4.190 4.190 4.190 . 0 0 "[ ]" 1
1075 1 125 LYS HA 1 125 LYS QE . . 4.060 3.049 3.049 3.049 . 0 0 "[ ]" 1
1076 1 86 SER HA 1 89 LYS QE . . 5.210 4.788 4.788 4.788 . 0 0 "[ ]" 1
1077 1 91 LYS HA 1 91 LYS HE2 . . 4.650 1.975 1.975 1.975 . 0 0 "[ ]" 1
1078 1 15 LYS HA 1 15 LYS HE2 . . 4.860 4.874 4.874 4.874 0.014 1 0 "[ ]" 1
1079 1 79 LYS QE 1 80 VAL HA . . 4.130 2.378 2.378 2.378 . 0 0 "[ ]" 1
1080 1 15 LYS HA 1 15 LYS HE3 . . 4.860 4.675 4.675 4.675 . 0 0 "[ ]" 1
1081 1 75 PRO HG3 1 79 LYS QE . . 3.970 2.525 2.525 2.525 . 0 0 "[ ]" 1
1082 1 89 LYS QB 1 89 LYS QE . . 3.790 2.201 2.201 2.201 . 0 0 "[ ]" 1
1083 1 60 LYS QB 1 60 LYS QE . . 4.010 3.761 3.761 3.761 . 0 0 "[ ]" 1
1084 1 38 LYS QB 1 38 LYS QE . . 4.070 3.505 3.505 3.505 . 0 0 "[ ]" 1
1085 1 15 LYS HB3 1 15 LYS HE2 . . 3.710 3.740 3.740 3.740 0.030 1 0 "[ ]" 1
1086 1 15 LYS HB3 1 15 LYS HE3 . . 3.710 3.037 3.037 3.037 . 0 0 "[ ]" 1
1087 1 89 LYS QE 1 89 LYS QG . . 3.120 2.278 2.278 2.278 . 0 0 "[ ]" 1
1088 1 89 LYS QE 1 158 LEU MD2 . . 4.180 2.766 2.766 2.766 . 0 0 "[ ]" 1
1089 1 79 LYS QE 1 80 VAL MG2 . . 3.820 2.885 2.885 2.885 . 0 0 "[ ]" 1
1090 1 14 TYR HB2 1 16 HIS HD2 . . 4.800 3.845 3.845 3.845 . 0 0 "[ ]" 1
1091 1 146 LEU HB2 1 147 THR HA . . 4.810 4.608 4.608 4.608 . 0 0 "[ ]" 1
1092 1 146 LEU HB3 1 147 THR HA . . 4.810 4.473 4.473 4.473 . 0 0 "[ ]" 1
1093 1 58 LEU HA 1 61 ASP HB3 . . 4.390 2.848 2.848 2.848 . 0 0 "[ ]" 1
1094 1 59 GLU QG 1 60 LYS QE . . 4.130 3.846 3.846 3.846 . 0 0 "[ ]" 1
1095 1 125 LYS QE 1 125 LYS QG . . 3.190 2.373 2.373 2.373 . 0 0 "[ ]" 1
1096 1 79 LYS QE 1 79 LYS QG . . 2.980 2.263 2.263 2.263 . 0 0 "[ ]" 1
1097 1 87 LEU MD1 1 91 LYS HE3 . . 4.070 2.637 2.637 2.637 . 0 0 "[ ]" 1
1098 1 85 LEU HB3 1 121 GLU HB3 . . 4.940 4.943 4.943 4.943 0.003 1 0 "[ ]" 1
1099 1 85 LEU HB3 1 158 LEU MD2 . . 4.440 3.097 3.097 3.097 . 0 0 "[ ]" 1
1100 1 37 LEU HB2 1 38 LYS HA . . 4.340 4.297 4.297 4.297 . 0 0 "[ ]" 1
1101 1 58 LEU QB 1 63 ILE HB . . 4.190 3.774 3.774 3.774 . 0 0 "[ ]" 1
1102 1 34 ILE QG 1 58 LEU QB . . 4.650 2.642 2.642 2.642 . 0 0 "[ ]" 1
1103 1 34 ILE MG 1 58 LEU QB . . 4.260 2.097 2.097 2.097 . 0 0 "[ ]" 1
1104 1 37 LEU HB2 1 63 ILE MD . . 4.330 4.361 4.361 4.361 0.031 1 0 "[ ]" 1
1105 1 37 LEU HB3 1 101 ALA MB . . 4.680 2.383 2.383 2.383 . 0 0 "[ ]" 1
1106 1 37 LEU HB2 1 101 ALA MB . . 4.730 2.575 2.575 2.575 . 0 0 "[ ]" 1
1107 1 37 LEU HB3 1 63 ILE MD . . 5.380 5.346 5.346 5.346 . 0 0 "[ ]" 1
1108 1 80 VAL MG1 1 83 ASP HB3 . . 4.560 2.829 2.829 2.829 . 0 0 "[ ]" 1
1109 1 126 TYR QB 1 149 LEU QB . . 4.820 2.853 2.853 2.853 . 0 0 "[ ]" 1
1110 1 32 THR HA 1 35 GLU HG2 . . 4.340 4.184 4.184 4.184 . 0 0 "[ ]" 1
1111 1 35 GLU HA 1 35 GLU HG2 . . 3.850 2.534 2.534 2.534 . 0 0 "[ ]" 1
1112 1 127 GLU HA 1 127 GLU HG3 . . 4.090 3.621 3.621 3.621 . 0 0 "[ ]" 1
1113 1 34 ILE HB 1 35 GLU HG2 . . 3.720 3.340 3.340 3.340 . 0 0 "[ ]" 1
1114 1 91 LYS QB 1 94 GLU HG2 . . 5.170 4.337 4.337 4.337 . 0 0 "[ ]" 1
1115 1 82 GLU HA 1 82 GLU QG . . 3.340 3.373 3.373 3.373 0.033 1 0 "[ ]" 1
1116 1 150 GLU HA 1 150 GLU QG . . 3.830 2.314 2.314 2.314 . 0 0 "[ ]" 1
1117 1 150 GLU HB3 1 150 GLU QG . . 2.740 2.422 2.422 2.422 . 0 0 "[ ]" 1
1118 1 50 GLU HG3 1 52 THR MG . . 4.180 3.842 3.842 3.842 . 0 0 "[ ]" 1
1119 1 117 LEU MD1 1 121 GLU HG3 . . 4.510 2.779 2.779 2.779 . 0 0 "[ ]" 1
1120 1 45 VAL HB 1 65 VAL HA . . 4.480 4.512 4.512 4.512 0.032 1 0 "[ ]" 1
1121 1 10 VAL HB 1 21 ILE HB . . 3.990 4.012 4.012 4.012 0.022 1 0 "[ ]" 1
1122 1 17 MET HB2 1 92 PHE QD . . 4.330 3.145 3.145 3.145 . 0 0 "[ ]" 1
1123 1 45 VAL HB 1 63 ILE MG . . 4.230 4.232 4.232 4.232 0.002 1 0 "[ ]" 1
1124 1 12 VAL HB 1 19 PHE HB3 . . 5.470 5.441 5.441 5.441 . 0 0 "[ ]" 1
1125 1 12 VAL HB 1 19 PHE HB2 . . 4.940 4.950 4.950 4.950 0.010 1 0 "[ ]" 1
1126 1 43 THR HB 1 63 ILE HA . . 4.010 3.300 3.300 3.300 . 0 0 "[ ]" 1
1127 1 135 GLN HG3 1 136 LYS HA . . 4.500 4.219 4.219 4.219 . 0 0 "[ ]" 1
1128 1 131 GLN HA 1 131 GLN HG3 . . 3.950 2.855 2.855 2.855 . 0 0 "[ ]" 1
1129 1 29 THR HB 1 32 THR MG . . 4.990 4.989 4.989 4.989 . 0 0 "[ ]" 1
1130 1 43 THR HB 1 63 ILE HG13 . . 4.390 4.412 4.412 4.412 0.022 1 0 "[ ]" 1
1131 1 145 GLN HG2 1 146 LEU MD1 . . 4.610 2.856 2.856 2.856 . 0 0 "[ ]" 1
1132 1 120 ILE MD 1 124 MET QB . . 4.010 2.859 2.859 2.859 . 0 0 "[ ]" 1
1133 1 156 GLN HA 1 156 GLN QG . . 3.540 2.304 2.304 2.304 . 0 0 "[ ]" 1
1134 1 64 THR MG 1 66 VAL HB . . 5.180 4.762 4.762 4.762 . 0 0 "[ ]" 1
1135 1 43 THR HB 1 63 ILE MD . . 4.670 4.685 4.685 4.685 0.015 1 0 "[ ]" 1
1136 1 29 THR HA 1 32 THR HB . . 5.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
1137 1 29 THR HB 1 32 THR HB . . 3.930 3.932 3.932 3.932 0.002 1 0 "[ ]" 1
1138 1 121 GLU HA 1 154 PRO QB . . 4.020 3.381 3.381 3.381 . 0 0 "[ ]" 1
1139 1 131 GLN HA 1 131 GLN HG2 . . 3.950 2.718 2.718 2.718 . 0 0 "[ ]" 1
1140 1 81 VAL HA 1 84 TRP HB3 . . 4.050 2.663 2.663 2.663 . 0 0 "[ ]" 1
1141 1 56 THR HB 1 60 LYS HG2 . . 5.480 5.499 5.499 5.499 0.019 1 0 "[ ]" 1
1142 1 120 ILE MG 1 154 PRO QB . . 3.750 2.018 2.018 2.018 . 0 0 "[ ]" 1
1143 1 29 THR MG 1 32 THR HB . . 5.450 4.769 4.769 4.769 . 0 0 "[ ]" 1
1144 1 81 VAL HA 1 84 TRP HB2 . . 3.970 2.704 2.704 2.704 . 0 0 "[ ]" 1
1145 1 81 VAL HA 1 117 LEU MD1 . . 3.990 2.845 2.845 2.845 . 0 0 "[ ]" 1
1146 1 81 VAL HA 1 117 LEU MD2 . . 4.570 3.236 3.236 3.236 . 0 0 "[ ]" 1
1147 1 124 MET HA 1 124 MET HG2 . . 3.710 3.700 3.700 3.700 . 0 0 "[ ]" 1
1148 1 79 LYS HB3 1 79 LYS QE . . 4.450 4.121 4.121 4.121 . 0 0 "[ ]" 1
1149 1 124 MET HG3 1 128 ASP QB . . 3.670 2.276 2.276 2.276 . 0 0 "[ ]" 1
1150 1 124 MET HG2 1 128 ASP QB . . 4.100 3.123 3.123 3.123 . 0 0 "[ ]" 1
1151 1 124 MET HG3 1 129 ALA MB . . 4.390 3.389 3.389 3.389 . 0 0 "[ ]" 1
1152 1 120 ILE MD 1 124 MET HG3 . . 4.440 4.416 4.416 4.416 . 0 0 "[ ]" 1
1153 1 120 ILE MD 1 124 MET HG2 . . 4.130 3.867 3.867 3.867 . 0 0 "[ ]" 1
1154 1 125 LYS HB2 1 128 ASP QB . . 4.250 3.021 3.021 3.021 . 0 0 "[ ]" 1
1155 1 125 LYS HB3 1 128 ASP QB . . 4.250 3.975 3.975 3.975 . 0 0 "[ ]" 1
1156 1 55 LYS HB3 1 65 VAL MG2 . . 3.720 2.615 2.615 2.615 . 0 0 "[ ]" 1
1157 1 9 PRO HB2 1 20 LEU HB3 . . 4.030 3.173 3.173 3.173 . 0 0 "[ ]" 1
1158 1 89 LYS QB 1 158 LEU MD2 . . 3.750 3.250 3.250 3.250 . 0 0 "[ ]" 1
1159 1 55 LYS HB2 1 65 VAL MG1 . . 3.630 2.922 2.922 2.922 . 0 0 "[ ]" 1
1160 1 125 LYS HB3 1 125 LYS QE . . 4.470 4.301 4.301 4.301 . 0 0 "[ ]" 1
1161 1 135 GLN HG3 1 136 LYS QB . . 3.510 3.533 3.533 3.533 0.023 1 0 "[ ]" 1
1162 1 59 GLU HB3 1 60 LYS QB . . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
1163 1 115 VAL HA 1 115 VAL MG1 . . 3.200 2.388 2.388 2.388 . 0 0 "[ ]" 1
1164 1 34 ILE HA 1 37 LEU HG . . 4.220 2.148 2.148 2.148 . 0 0 "[ ]" 1
1165 1 34 ILE HA 1 37 LEU MD1 . . 3.780 2.191 2.191 2.191 . 0 0 "[ ]" 1
1166 1 81 VAL HB 1 82 GLU HA . . 4.180 4.238 4.238 4.238 0.058 1 0 "[ ]" 1
1167 1 34 ILE HB 1 35 GLU HA . . 4.280 4.291 4.291 4.291 0.011 1 0 "[ ]" 1
1168 1 81 VAL HB 1 84 TRP HB2 . . 5.200 5.007 5.007 5.007 . 0 0 "[ ]" 1
1169 1 19 PHE QE 1 88 VAL HA . . 4.470 3.229 3.229 3.229 . 0 0 "[ ]" 1
1170 1 88 VAL HA 1 91 LYS QB . . 3.950 2.871 2.871 2.871 . 0 0 "[ ]" 1
1171 1 88 VAL HA 1 91 LYS QG . . 4.540 3.337 3.337 3.337 . 0 0 "[ ]" 1
1172 1 147 THR HB 1 150 GLU HB2 . . 3.670 3.386 3.386 3.386 . 0 0 "[ ]" 1
1173 1 115 VAL HB 1 116 ALA MB . . 4.050 4.062 4.062 4.062 0.012 1 0 "[ ]" 1
1174 1 19 PHE QE 1 88 VAL HB . . 4.620 4.687 4.687 4.687 0.067 1 0 "[ ]" 1
1175 1 85 LEU HA 1 88 VAL HB . . 4.330 3.280 3.280 3.280 . 0 0 "[ ]" 1
1176 1 57 PRO HA 1 60 LYS QB . . 3.520 3.170 3.170 3.170 . 0 0 "[ ]" 1
1177 1 17 MET HG3 1 19 PHE QE . . 4.560 4.234 4.234 4.234 . 0 0 "[ ]" 1
1178 1 68 TRP HB3 1 80 VAL MG2 . . 4.240 3.633 3.633 3.633 . 0 0 "[ ]" 1
1179 1 68 TRP HB2 1 80 VAL MG2 . . 5.320 4.827 4.827 4.827 . 0 0 "[ ]" 1
1180 1 91 LYS QB 1 91 LYS QD . . 3.420 2.401 2.401 2.401 . 0 0 "[ ]" 1
1181 1 13 SER HB3 1 18 ARG HA . . 5.370 5.179 5.179 5.179 . 0 0 "[ ]" 1
1182 1 14 TYR HA 1 15 LYS HB3 . . 4.610 4.628 4.628 4.628 0.018 1 0 "[ ]" 1
1183 1 32 THR HA 1 35 GLU HG3 . . 3.450 2.544 2.544 2.544 . 0 0 "[ ]" 1
1184 1 32 THR HA 1 35 GLU HB2 . . 3.640 2.703 2.703 2.703 . 0 0 "[ ]" 1
1185 1 80 VAL HA 1 83 ASP HB2 . . 4.250 2.471 2.471 2.471 . 0 0 "[ ]" 1
1186 1 13 SER HB3 1 18 ARG HG2 . . 5.430 5.438 5.438 5.438 0.008 1 0 "[ ]" 1
1187 1 94 GLU QB 1 95 ALA MB . . 4.210 4.051 4.051 4.051 . 0 0 "[ ]" 1
1188 1 55 LYS HA 1 58 LEU HG . . 4.630 4.650 4.650 4.650 0.020 1 0 "[ ]" 1
1189 1 120 ILE HG13 1 126 TYR HA . . 3.630 2.787 2.787 2.787 . 0 0 "[ ]" 1
1190 1 11 GLU QG 1 13 SER HB3 . . 4.600 4.603 4.603 4.603 0.003 1 0 "[ ]" 1
1191 1 80 VAL HA 1 83 ASP HB3 . . 4.250 3.270 3.270 3.270 . 0 0 "[ ]" 1
1192 1 18 ARG QB 1 99 CYS HB2 . . 4.700 4.701 4.701 4.701 0.001 1 0 "[ ]" 1
1193 1 58 LEU HG 1 63 ILE MD . . 4.830 4.095 4.095 4.095 . 0 0 "[ ]" 1
1194 1 16 HIS HD2 1 122 SER QB . . 4.640 4.104 4.104 4.104 . 0 0 "[ ]" 1
1195 1 134 ARG HA 1 134 ARG QG . . 3.580 2.362 2.362 2.362 . 0 0 "[ ]" 1
1196 1 147 THR HB 1 150 GLU HB3 . . 4.300 3.737 3.737 3.737 . 0 0 "[ ]" 1
1197 1 121 GLU HB2 1 122 SER QB . . 4.680 4.684 4.684 4.684 0.004 1 0 "[ ]" 1
1198 1 122 SER QB 1 124 MET ME . . 5.160 5.179 5.179 5.179 0.019 1 0 "[ ]" 1
1199 1 130 ILE HA 1 130 ILE HG12 . . 4.230 3.488 3.488 3.488 . 0 0 "[ ]" 1
1200 1 130 ILE HA 1 140 ALA MB . . 4.460 3.476 3.476 3.476 . 0 0 "[ ]" 1
1201 1 120 ILE HG13 1 129 ALA MB . . 3.670 3.224 3.224 3.224 . 0 0 "[ ]" 1
1202 1 130 ILE HA 1 133 ILE HG13 . . 4.720 2.537 2.537 2.537 . 0 0 "[ ]" 1
1203 1 50 GLU QB 1 52 THR MG . . 4.170 3.226 3.226 3.226 . 0 0 "[ ]" 1
1204 1 130 ILE HA 1 146 LEU MD1 . . 5.500 4.183 4.183 4.183 . 0 0 "[ ]" 1
1205 1 130 ILE HA 1 130 ILE MG . . 3.270 2.341 2.341 2.341 . 0 0 "[ ]" 1
1206 1 36 ASP HA 1 40 TYR QD . . 4.620 3.570 3.570 3.570 . 0 0 "[ ]" 1
1207 1 125 LYS HA 1 125 LYS QD . . 4.200 3.359 3.359 3.359 . 0 0 "[ ]" 1
1208 1 32 THR HA 1 35 GLU HB3 . . 4.440 4.318 4.318 4.318 . 0 0 "[ ]" 1
1209 1 120 ILE HA 1 126 TYR HA . . 5.230 4.881 4.881 4.881 . 0 0 "[ ]" 1
1210 1 127 GLU HB2 1 128 ASP QB . . 4.360 4.079 4.079 4.079 . 0 0 "[ ]" 1
1211 1 60 LYS QB 1 60 LYS QD . . 2.920 2.554 2.554 2.554 . 0 0 "[ ]" 1
1212 1 70 PHE QD 1 74 ALA MB . . 4.470 2.497 2.497 2.497 . 0 0 "[ ]" 1
1213 1 32 THR MG 1 35 GLU HB3 . . 5.030 4.618 4.618 4.618 . 0 0 "[ ]" 1
1214 1 56 THR MG 1 59 GLU HB3 . . 5.380 5.159 5.159 5.159 . 0 0 "[ ]" 1
1215 1 120 ILE HA 1 120 ILE MG . . 3.510 2.666 2.666 2.666 . 0 0 "[ ]" 1
1216 1 58 LEU MD2 1 59 GLU HB3 . . 4.330 4.349 4.349 4.349 0.019 1 0 "[ ]" 1
1217 1 68 TRP HD1 1 80 VAL MG2 . . 4.520 4.536 4.536 4.536 0.016 1 0 "[ ]" 1
1218 1 68 TRP HD1 1 80 VAL MG1 . . 5.270 4.586 4.586 4.586 . 0 0 "[ ]" 1
1219 1 155 LYS HA 1 155 LYS QD . . 3.990 3.521 3.521 3.521 . 0 0 "[ ]" 1
1220 1 60 LYS HA 1 60 LYS QD . . 3.550 2.605 2.605 2.605 . 0 0 "[ ]" 1
1221 1 120 ILE HA 1 120 ILE HG13 . . 3.930 2.367 2.367 2.367 . 0 0 "[ ]" 1
1222 1 118 ALA MB 1 121 GLU HB2 . . 4.040 3.959 3.959 3.959 . 0 0 "[ ]" 1
1223 1 120 ILE HA 1 124 MET QB . . 4.110 2.174 2.174 2.174 . 0 0 "[ ]" 1
1224 1 116 ALA MB 1 133 ILE HA . . 5.500 5.209 5.209 5.209 . 0 0 "[ ]" 1
1225 1 133 ILE HA 1 140 ALA MB . . 5.500 5.359 5.359 5.359 . 0 0 "[ ]" 1
1226 1 120 ILE HA 1 120 ILE MD . . 3.740 2.722 2.722 2.722 . 0 0 "[ ]" 1
1227 1 133 ILE HA 1 133 ILE MG . . 3.330 2.180 2.180 2.180 . 0 0 "[ ]" 1
1228 1 51 VAL HA 1 51 VAL MG1 . . 3.260 2.289 2.289 2.289 . 0 0 "[ ]" 1
1229 1 20 LEU HG 1 40 TYR QD . . 3.950 3.709 3.709 3.709 . 0 0 "[ ]" 1
1230 1 59 GLU QG 1 60 LYS QD . . 4.210 2.308 2.308 2.308 . 0 0 "[ ]" 1
1231 1 155 LYS QD 1 156 GLN QG . . 4.240 3.448 3.448 3.448 . 0 0 "[ ]" 1
1232 1 134 ARG QB 1 135 GLN HB3 . . 5.050 4.707 4.707 4.707 . 0 0 "[ ]" 1
1233 1 121 GLU HB2 1 158 LEU HB2 . . 5.500 4.262 4.262 4.262 . 0 0 "[ ]" 1
1234 1 133 ILE HA 1 133 ILE HG12 . . 3.930 3.965 3.965 3.965 0.035 1 0 "[ ]" 1
1235 1 60 LYS QD 1 60 LYS HG2 . . 2.610 2.369 2.369 2.369 . 0 0 "[ ]" 1
1236 1 133 ILE HA 1 133 ILE HG13 . . 3.930 3.687 3.687 3.687 . 0 0 "[ ]" 1
1237 1 128 ASP HA 1 131 GLN QB . . 4.310 3.499 3.499 3.499 . 0 0 "[ ]" 1
1238 1 135 GLN HB2 1 136 LYS HA . . 5.500 5.250 5.250 5.250 . 0 0 "[ ]" 1
1239 1 132 PHE HA 1 135 GLN HB3 . . 4.090 3.631 3.631 3.631 . 0 0 "[ ]" 1
1240 1 157 ARG HA 1 157 ARG HG2 . . 3.920 3.512 3.512 3.512 . 0 0 "[ ]" 1
1241 1 157 ARG HA 1 157 ARG HG3 . . 3.920 2.271 2.271 2.271 . 0 0 "[ ]" 1
1242 1 130 ILE HA 1 130 ILE HG13 . . 4.230 3.811 3.811 3.811 . 0 0 "[ ]" 1
1243 1 141 ILE HA 1 142 ASN QB . . 5.280 4.845 4.845 4.845 . 0 0 "[ ]" 1
1244 1 130 ILE HB 1 131 GLN QB . . 4.790 4.313 4.313 4.313 . 0 0 "[ ]" 1
1245 1 126 TYR HA 1 126 TYR QD . . 3.890 3.616 3.616 3.616 . 0 0 "[ ]" 1
1246 1 126 TYR QD 1 127 GLU HA . . 4.340 3.473 3.473 3.473 . 0 0 "[ ]" 1
1247 1 126 TYR QD 1 146 LEU HG . . 3.960 3.559 3.559 3.559 . 0 0 "[ ]" 1
1248 1 126 TYR QD 1 149 LEU QB . . 3.840 2.025 2.025 2.025 . 0 0 "[ ]" 1
1249 1 145 GLN HB2 1 146 LEU MD1 . . 4.970 4.798 4.798 4.798 . 0 0 "[ ]" 1
1250 1 141 ILE HA 1 146 LEU MD2 . . 5.320 2.378 2.378 2.378 . 0 0 "[ ]" 1
1251 1 126 TYR QD 1 130 ILE MD . . 3.370 2.080 2.080 2.080 . 0 0 "[ ]" 1
1252 1 126 TYR QD 1 149 LEU HG . . 3.850 3.880 3.880 3.880 0.030 1 0 "[ ]" 1
1253 1 126 TYR QD 1 148 TYR QE . . 3.870 3.906 3.906 3.906 0.036 1 0 "[ ]" 1
1254 1 95 ALA HA 1 96 PRO QG . . 4.190 4.217 4.217 4.217 0.027 1 0 "[ ]" 1
1255 1 126 TYR QD 1 149 LEU HA . . 4.630 4.636 4.636 4.636 0.006 1 0 "[ ]" 1
1256 1 63 ILE HB 1 64 THR HA . . 5.290 5.211 5.211 5.211 . 0 0 "[ ]" 1
1257 1 64 THR HA 1 64 THR MG . . 3.160 2.367 2.367 2.367 . 0 0 "[ ]" 1
1258 1 9 PRO HA 1 10 VAL MG2 . . 4.110 3.422 3.422 3.422 . 0 0 "[ ]" 1
1259 1 64 THR HA 1 65 VAL MG2 . . 4.240 3.865 3.865 3.865 . 0 0 "[ ]" 1
1260 1 120 ILE HG12 1 126 TYR QD . . 4.560 4.096 4.096 4.096 . 0 0 "[ ]" 1
1261 1 14 TYR QD 1 115 VAL MG1 . . 4.360 3.190 3.190 3.190 . 0 0 "[ ]" 1
1262 1 63 ILE HG12 1 63 ILE MG . . 3.540 2.372 2.372 2.372 . 0 0 "[ ]" 1
1263 1 86 SER QB 1 89 LYS QB . . 5.190 4.293 4.293 4.293 . 0 0 "[ ]" 1
1264 1 7 PRO HA 1 8 ALA MB . . 4.710 3.947 3.947 3.947 . 0 0 "[ ]" 1
1265 1 8 ALA HA 1 9 PRO HG3 . . 4.820 4.656 4.656 4.656 . 0 0 "[ ]" 1
1266 1 85 LEU HG 1 121 GLU HG3 . . 3.780 2.420 2.420 2.420 . 0 0 "[ ]" 1
1267 1 121 GLU HB3 1 158 LEU HG . . 3.920 2.372 2.372 2.372 . 0 0 "[ ]" 1
1268 1 85 LEU HG 1 121 GLU HB2 . . 4.240 3.988 3.988 3.988 . 0 0 "[ ]" 1
1269 1 90 ALA MB 1 93 CYS QB . . 4.170 3.323 3.323 3.323 . 0 0 "[ ]" 1
1270 1 19 PHE QD 1 88 VAL MG1 . . 4.230 3.441 3.441 3.441 . 0 0 "[ ]" 1
1271 1 33 PHE QE 1 37 LEU MD1 . . 4.460 4.320 4.320 4.320 . 0 0 "[ ]" 1
1272 1 117 LEU MD1 1 148 TYR QE . . 3.710 3.576 3.576 3.576 . 0 0 "[ ]" 1
1273 1 44 THR HA 1 65 VAL HA . . 5.240 4.760 4.760 4.760 . 0 0 "[ ]" 1
1274 1 121 GLU HA 1 154 PRO HA . . 4.490 3.176 3.176 3.176 . 0 0 "[ ]" 1
1275 1 44 THR HA 1 63 ILE HA . . 4.620 4.057 4.057 4.057 . 0 0 "[ ]" 1
1276 1 146 LEU HA 1 146 LEU HG . . 3.920 3.645 3.645 3.645 . 0 0 "[ ]" 1
1277 1 117 LEU HA 1 117 LEU MD1 . . 4.090 2.710 2.710 2.710 . 0 0 "[ ]" 1
1278 1 19 PHE QE 1 92 PHE HB3 . . 5.140 5.179 5.179 5.179 0.039 1 0 "[ ]" 1
1279 1 121 GLU HG2 1 154 PRO HA . . 5.500 4.509 4.509 4.509 . 0 0 "[ ]" 1
1280 1 153 ARG QG 1 154 PRO QG . . 4.120 3.518 3.518 3.518 . 0 0 "[ ]" 1
1281 1 37 LEU MD1 1 38 LYS QB . . 4.380 2.385 2.385 2.385 . 0 0 "[ ]" 1
1282 1 37 LEU MD1 1 42 ALA MB . . 4.100 3.489 3.489 3.489 . 0 0 "[ ]" 1
1283 1 120 ILE MG 1 154 PRO HA . . 4.320 2.926 2.926 2.926 . 0 0 "[ ]" 1
1284 1 44 THR HA 1 44 THR MG . . 3.320 2.555 2.555 2.555 . 0 0 "[ ]" 1
1285 1 37 LEU MD1 1 45 VAL MG1 . . 3.670 2.218 2.218 2.218 . 0 0 "[ ]" 1
1286 1 81 VAL MG1 1 117 LEU MD1 . . 3.370 3.151 3.151 3.151 . 0 0 "[ ]" 1
1287 1 34 ILE MG 1 37 LEU MD1 . . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
1288 1 44 THR HA 1 45 VAL MG2 . . 4.670 3.911 3.911 3.911 . 0 0 "[ ]" 1
1289 1 130 ILE MD 1 146 LEU HG . . 3.790 2.001 2.001 2.001 . 0 0 "[ ]" 1
1290 1 37 LEU MD1 1 63 ILE MD . . 3.570 1.910 1.910 1.910 . 0 0 "[ ]" 1
1291 1 44 THR HA 1 63 ILE MG . . 4.150 2.783 2.783 2.783 . 0 0 "[ ]" 1
1292 1 37 LEU MD1 1 63 ILE MG . . 3.680 2.777 2.777 2.777 . 0 0 "[ ]" 1
1293 1 92 PHE QD 1 93 CYS HA . . 4.670 3.936 3.936 3.936 . 0 0 "[ ]" 1
1294 1 45 VAL HA 1 100 VAL HA . . 4.580 4.447 4.447 4.447 . 0 0 "[ ]" 1
1295 1 26 THR HB 1 30 LEU HG . . 5.060 4.811 4.811 4.811 . 0 0 "[ ]" 1
1296 1 153 ARG QG 1 155 LYS HA . . 4.350 4.365 4.365 4.365 0.015 1 0 "[ ]" 1
1297 1 125 LYS HA 1 126 TYR HA . . 4.700 4.236 4.236 4.236 . 0 0 "[ ]" 1
1298 1 46 VAL HA 1 66 VAL HA . . 4.640 4.646 4.646 4.646 0.006 1 0 "[ ]" 1
1299 1 44 THR HB 1 100 VAL HA . . 4.030 2.754 2.754 2.754 . 0 0 "[ ]" 1
1300 1 87 LEU MD2 1 88 VAL HB . . 4.940 4.785 4.785 4.785 . 0 0 "[ ]" 1
1301 1 155 LYS QD 1 156 GLN HB3 . . 4.410 4.062 4.062 4.062 . 0 0 "[ ]" 1
1302 1 91 LYS QB 1 100 VAL HA . . 4.610 4.611 4.611 4.611 0.001 1 0 "[ ]" 1
1303 1 100 VAL HA 1 100 VAL MG1 . . 3.600 2.359 2.359 2.359 . 0 0 "[ ]" 1
1304 1 120 ILE MD 1 126 TYR HA . . 3.500 1.957 1.957 1.957 . 0 0 "[ ]" 1
1305 1 46 VAL HA 1 66 VAL HB . . 3.560 2.160 2.160 2.160 . 0 0 "[ ]" 1
1306 1 12 VAL HA 1 12 VAL MG2 . . 3.160 2.196 2.196 2.196 . 0 0 "[ ]" 1
1307 1 58 LEU MD2 1 63 ILE MD . . 3.460 2.251 2.251 2.251 . 0 0 "[ ]" 1
1308 1 114 LEU HG 1 115 VAL MG2 . . 4.100 3.438 3.438 3.438 . 0 0 "[ ]" 1
1309 1 87 LEU MD2 1 88 VAL MG2 . . 4.210 2.388 2.388 2.388 . 0 0 "[ ]" 1
1310 1 46 VAL HA 1 66 VAL MG1 . . 4.540 3.795 3.795 3.795 . 0 0 "[ ]" 1
1311 1 52 THR HA 1 52 THR MG . . 3.130 2.392 2.392 2.392 . 0 0 "[ ]" 1
1312 1 21 ILE HA 1 21 ILE MG . . 3.510 2.142 2.142 2.142 . 0 0 "[ ]" 1
1313 1 21 ILE HA 1 21 ILE MD . . 3.690 3.598 3.598 3.598 . 0 0 "[ ]" 1
1314 1 33 PHE HA 1 36 ASP HB2 . . 4.600 2.700 2.700 2.700 . 0 0 "[ ]" 1
1315 1 33 PHE HA 1 36 ASP HB3 . . 4.600 3.846 3.846 3.846 . 0 0 "[ ]" 1
1316 1 32 THR MG 1 33 PHE HA . . 4.530 3.809 3.809 3.809 . 0 0 "[ ]" 1
1317 1 65 VAL HA 1 65 VAL MG2 . . 3.510 2.485 2.485 2.485 . 0 0 "[ ]" 1
1318 1 45 VAL MG2 1 65 VAL HA . . 4.100 2.044 2.044 2.044 . 0 0 "[ ]" 1
1319 1 87 LEU MD1 1 91 LYS QB . . 4.100 3.706 3.706 3.706 . 0 0 "[ ]" 1
1320 1 140 ALA MB 1 146 LEU MD1 . . 4.260 3.010 3.010 3.010 . 0 0 "[ ]" 1
1321 1 66 VAL HB 1 87 LEU MD1 . . 4.100 3.971 3.971 3.971 . 0 0 "[ ]" 1
1322 1 10 VAL HA 1 10 VAL MG2 . . 3.640 2.323 2.323 2.323 . 0 0 "[ ]" 1
1323 1 120 ILE MD 1 121 GLU HG2 . . 5.410 5.170 5.170 5.170 . 0 0 "[ ]" 1
1324 1 15 LYS HG3 1 16 HIS HD2 . . 4.770 3.469 3.469 3.469 . 0 0 "[ ]" 1
1325 1 15 LYS HG2 1 16 HIS HD2 . . 4.770 2.946 2.946 2.946 . 0 0 "[ ]" 1
1326 1 126 TYR QD 1 146 LEU MD2 . . 4.810 4.762 4.762 4.762 . 0 0 "[ ]" 1
1327 1 20 LEU HA 1 20 LEU HG . . 4.190 3.694 3.694 3.694 . 0 0 "[ ]" 1
1328 1 20 LEU HG 1 101 ALA HA . . 5.050 4.562 4.562 4.562 . 0 0 "[ ]" 1
1329 1 20 LEU HG 1 40 TYR HB3 . . 4.320 2.585 2.585 2.585 . 0 0 "[ ]" 1
1330 1 20 LEU HG 1 40 TYR HB2 . . 4.320 2.734 2.734 2.734 . 0 0 "[ ]" 1
1331 1 142 ASN QB 1 146 LEU MD2 . . 4.540 3.162 3.162 3.162 . 0 0 "[ ]" 1
1332 1 140 ALA HA 1 146 LEU MD2 . . 3.940 3.062 3.062 3.062 . 0 0 "[ ]" 1
1333 1 60 LYS HA 1 60 LYS HG3 . . 3.740 2.607 2.607 2.607 . 0 0 "[ ]" 1
1334 1 86 SER HA 1 89 LYS QG . . 4.650 3.204 3.204 3.204 . 0 0 "[ ]" 1
1335 1 57 PRO HA 1 60 LYS HG2 . . 4.890 4.914 4.914 4.914 0.024 1 0 "[ ]" 1
1336 1 89 LYS QG 1 158 LEU MD2 . . 4.710 4.521 4.521 4.521 . 0 0 "[ ]" 1
1337 1 20 LEU HG 1 101 ALA MB . . 4.370 3.860 3.860 3.860 . 0 0 "[ ]" 1
1338 1 11 GLU HB3 1 20 LEU HG . . 4.660 4.293 4.293 4.293 . 0 0 "[ ]" 1
1339 1 35 GLU HA 1 38 LYS QB . . 4.360 4.164 4.164 4.164 . 0 0 "[ ]" 1
1340 1 84 TRP HA 1 87 LEU MD2 . . 4.410 2.789 2.789 2.789 . 0 0 "[ ]" 1
1341 1 79 LYS HA 1 79 LYS QG . . 3.640 3.482 3.482 3.482 . 0 0 "[ ]" 1
1342 1 117 LEU MD2 1 148 TYR QE . . 3.540 2.418 2.418 2.418 . 0 0 "[ ]" 1
1343 1 20 LEU MD1 1 40 TYR HB2 . . 4.550 3.568 3.568 3.568 . 0 0 "[ ]" 1
1344 1 20 LEU MD1 1 40 TYR HB3 . . 4.550 3.001 3.001 3.001 . 0 0 "[ ]" 1
1345 1 117 LEU MD2 1 121 GLU HG2 . . 4.630 3.866 3.866 3.866 . 0 0 "[ ]" 1
1346 1 117 LEU MD2 1 121 GLU HG3 . . 5.180 4.663 4.663 4.663 . 0 0 "[ ]" 1
1347 1 117 LEU MD2 1 152 TYR HB3 . . 5.220 4.911 4.911 4.911 . 0 0 "[ ]" 1
1348 1 11 GLU HB3 1 20 LEU MD1 . . 3.600 2.128 2.128 2.128 . 0 0 "[ ]" 1
1349 1 9 PRO HB2 1 20 LEU MD1 . . 3.540 2.153 2.153 2.153 . 0 0 "[ ]" 1
1350 1 11 GLU HB2 1 20 LEU MD1 . . 4.030 3.098 3.098 3.098 . 0 0 "[ ]" 1
1351 1 20 LEU HB3 1 20 LEU MD1 . . 3.270 2.335 2.335 2.335 . 0 0 "[ ]" 1
1352 1 114 LEU HA 1 114 LEU MD1 . . 3.350 2.464 2.464 2.464 . 0 0 "[ ]" 1
1353 1 117 LEU MD2 1 152 TYR QE . . 4.750 4.022 4.022 4.022 . 0 0 "[ ]" 1
1354 1 29 THR HA 1 29 THR MG . . 2.960 2.430 2.430 2.430 . 0 0 "[ ]" 1
1355 1 43 THR HA 1 43 THR MG . . 2.690 2.384 2.384 2.384 . 0 0 "[ ]" 1
1356 1 81 VAL MG1 1 148 TYR QE . . 3.790 2.921 2.921 2.921 . 0 0 "[ ]" 1
1357 1 81 VAL MG1 1 117 LEU MD2 . . 3.960 1.994 1.994 1.994 . 0 0 "[ ]" 1
1358 1 100 VAL HA 1 100 VAL MG2 . . 3.490 2.464 2.464 2.464 . 0 0 "[ ]" 1
1359 1 44 THR HB 1 100 VAL MG2 . . 3.680 2.371 2.371 2.371 . 0 0 "[ ]" 1
1360 1 19 PHE QE 1 100 VAL MG2 . . 3.810 2.403 2.403 2.403 . 0 0 "[ ]" 1
1361 1 19 PHE HA 1 19 PHE QD . . 4.030 2.774 2.774 2.774 . 0 0 "[ ]" 1
1362 1 20 LEU HG 1 42 ALA MB . . 3.670 2.996 2.996 2.996 . 0 0 "[ ]" 1
1363 1 37 LEU MD2 1 42 ALA MB . . 3.670 3.672 3.672 3.672 0.002 1 0 "[ ]" 1
1364 1 42 ALA MB 1 101 ALA HA . . 4.800 3.257 3.257 3.257 . 0 0 "[ ]" 1
1365 1 70 PHE QE 1 74 ALA MB . . 4.870 2.415 2.415 2.415 . 0 0 "[ ]" 1
1366 1 84 TRP HZ3 1 118 ALA MB . . 3.930 2.234 2.234 2.234 . 0 0 "[ ]" 1
1367 1 14 TYR QE 1 118 ALA MB . . 4.960 4.393 4.393 4.393 . 0 0 "[ ]" 1
1368 1 126 TYR QD 1 129 ALA MB . . 5.060 4.243 4.243 4.243 . 0 0 "[ ]" 1
1369 1 120 ILE MG 1 126 TYR QD . . 5.180 4.412 4.412 4.412 . 0 0 "[ ]" 1
1370 1 120 ILE MG 1 148 TYR QD . . 5.500 5.147 5.147 5.147 . 0 0 "[ ]" 1
1371 1 126 TYR QD 1 130 ILE MG . . 5.150 5.145 5.145 5.145 . 0 0 "[ ]" 1
1372 1 120 ILE MG 1 121 GLU HA . . 4.560 3.044 3.044 3.044 . 0 0 "[ ]" 1
1373 1 120 ILE MG 1 125 LYS HA . . 4.990 3.479 3.479 3.479 . 0 0 "[ ]" 1
1374 1 120 ILE MG 1 126 TYR HA . . 4.420 4.464 4.464 4.464 0.044 1 0 "[ ]" 1
1375 1 117 LEU HA 1 120 ILE MG . . 4.900 4.527 4.527 4.527 . 0 0 "[ ]" 1
1376 1 130 ILE MG 1 131 GLN QB . . 4.940 4.703 4.703 4.703 . 0 0 "[ ]" 1
1377 1 58 LEU HA 1 63 ILE MD . . 3.700 3.487 3.487 3.487 . 0 0 "[ ]" 1
1378 1 126 TYR QB 1 130 ILE MD . . 4.320 3.285 3.285 3.285 . 0 0 "[ ]" 1
1379 1 63 ILE HB 1 63 ILE MD . . 3.110 2.537 2.537 2.537 . 0 0 "[ ]" 1
1380 1 20 LEU HB3 1 101 ALA MB . . 4.510 3.218 3.218 3.218 . 0 0 "[ ]" 1
1381 1 114 LEU HA 1 117 LEU HB3 . . 4.560 4.068 4.068 4.068 . 0 0 "[ ]" 1
1382 1 68 TRP HH2 1 87 LEU HB3 . . 4.420 3.639 3.639 3.639 . 0 0 "[ ]" 1
1383 1 114 LEU QB 1 115 VAL MG2 . . 4.140 2.800 2.800 2.800 . 0 0 "[ ]" 1
1384 1 125 LYS HB2 1 125 LYS QE . . 4.470 3.924 3.924 3.924 . 0 0 "[ ]" 1
1385 1 9 PRO HB2 1 20 LEU HG . . 4.230 4.262 4.262 4.262 0.032 1 0 "[ ]" 1
1386 1 14 TYR QE 1 115 VAL HA . . 5.500 5.437 5.437 5.437 . 0 0 "[ ]" 1
1387 1 13 SER HB2 1 18 ARG HA . . 4.370 4.018 4.018 4.018 . 0 0 "[ ]" 1
1388 1 12 VAL HA 1 13 SER HB2 . . 5.370 4.816 4.816 4.816 . 0 0 "[ ]" 1
1389 1 11 GLU QG 1 13 SER HB2 . . 4.450 4.010 4.010 4.010 . 0 0 "[ ]" 1
1390 1 13 SER HB2 1 18 ARG QB . . 4.710 3.167 3.167 3.167 . 0 0 "[ ]" 1
1391 1 13 SER HB3 1 18 ARG QB . . 4.780 4.656 4.656 4.656 . 0 0 "[ ]" 1
1392 1 13 SER HB2 1 18 ARG HG2 . . 4.490 3.905 3.905 3.905 . 0 0 "[ ]" 1
1393 1 42 ALA HA 1 99 CYS HB2 . . 4.180 2.917 2.917 2.917 . 0 0 "[ ]" 1
1394 1 19 PHE QE 1 87 LEU MD2 . . 3.910 3.352 3.352 3.352 . 0 0 "[ ]" 1
1395 1 68 TRP HH2 1 87 LEU MD2 . . 4.330 2.653 2.653 2.653 . 0 0 "[ ]" 1
1396 1 84 TRP HE3 1 117 LEU MD1 . . 4.430 2.937 2.937 2.937 . 0 0 "[ ]" 1
1397 1 84 TRP HH2 1 117 LEU MD1 . . 5.500 5.110 5.110 5.110 . 0 0 "[ ]" 1
1398 1 117 LEU MD1 1 148 TYR QD . . 5.500 5.039 5.039 5.039 . 0 0 "[ ]" 1
1399 1 53 TYR QE 1 58 LEU MD1 . . 4.360 2.043 2.043 2.043 . 0 0 "[ ]" 1
1400 1 55 LYS HA 1 58 LEU MD1 . . 3.890 2.207 2.207 2.207 . 0 0 "[ ]" 1
1401 1 58 LEU MD1 1 59 GLU HA . . 4.370 3.710 3.710 3.710 . 0 0 "[ ]" 1
1402 1 158 LEU HA 1 158 LEU MD1 . . 4.250 3.861 3.861 3.861 . 0 0 "[ ]" 1
1403 1 58 LEU HA 1 58 LEU MD1 . . 3.610 3.640 3.640 3.640 0.030 1 0 "[ ]" 1
1404 1 118 ALA HA 1 158 LEU MD1 . . 3.940 2.779 2.779 2.779 . 0 0 "[ ]" 1
1405 1 31 SER HA 1 31 SER QB . . 2.770 2.351 2.351 2.351 . 0 0 "[ ]" 1
1406 1 132 PHE HA 1 132 PHE QD . . 4.360 3.108 3.108 3.108 . 0 0 "[ ]" 1
1407 1 127 GLU HA 1 130 ILE HG12 . . 5.120 2.403 2.403 2.403 . 0 0 "[ ]" 1
1408 1 127 GLU HA 1 130 ILE HG13 . . 5.120 3.385 3.385 3.385 . 0 0 "[ ]" 1
1409 1 127 GLU HA 1 130 ILE MD . . 4.060 3.661 3.661 3.661 . 0 0 "[ ]" 1
1410 1 66 VAL HA 1 66 VAL MG1 . . 3.690 2.280 2.280 2.280 . 0 0 "[ ]" 1
1411 1 45 VAL HA 1 45 VAL MG1 . . 3.670 2.402 2.402 2.402 . 0 0 "[ ]" 1
1412 1 45 VAL HA 1 45 VAL MG2 . . 3.520 3.224 3.224 3.224 . 0 0 "[ ]" 1
1413 1 28 ALA MB 1 29 THR HA . . 4.700 4.159 4.159 4.159 . 0 0 "[ ]" 1
1414 1 66 VAL MG2 1 87 LEU MD1 . . 3.860 2.345 2.345 2.345 . 0 0 "[ ]" 1
1415 1 87 LEU MD1 1 91 LYS QD . . 3.770 2.306 2.306 2.306 . 0 0 "[ ]" 1
1416 1 87 LEU HB2 1 87 LEU MD1 . . 3.570 2.311 2.311 2.311 . 0 0 "[ ]" 1
1417 1 146 LEU HA 1 146 LEU MD1 . . 3.830 1.991 1.991 1.991 . 0 0 "[ ]" 1
1418 1 87 LEU MD1 1 91 LYS HA . . 4.730 4.773 4.773 4.773 0.043 1 0 "[ ]" 1
1419 1 126 TYR QE 1 146 LEU MD1 . . 5.200 4.170 4.170 4.170 . 0 0 "[ ]" 1
1420 1 145 GLN HE21 1 146 LEU MD1 . . 4.580 1.986 1.986 1.986 . 0 0 "[ ]" 1
1421 1 148 TYR HA 1 151 LYS HB2 . . 4.480 3.758 3.758 3.758 . 0 0 "[ ]" 1
1422 1 148 TYR HA 1 151 LYS HB3 . . 5.500 5.481 5.481 5.481 . 0 0 "[ ]" 1
1423 1 132 PHE HA 1 133 ILE MG . . 5.050 4.771 4.771 4.771 . 0 0 "[ ]" 1
1424 1 132 PHE HA 1 135 GLN HG2 . . 4.920 3.898 3.898 3.898 . 0 0 "[ ]" 1
1425 1 132 PHE HA 1 135 GLN HG3 . . 5.500 4.960 4.960 4.960 . 0 0 "[ ]" 1
1426 1 132 PHE HA 1 135 GLN HB2 . . 4.990 5.020 5.020 5.020 0.030 1 0 "[ ]" 1
1427 1 155 LYS HA 1 155 LYS HG3 . . 3.700 3.440 3.440 3.440 . 0 0 "[ ]" 1
1428 1 116 ALA HA 1 119 LEU HG . . 4.920 4.550 4.550 4.550 . 0 0 "[ ]" 1
1429 1 126 TYR QE 1 150 GLU HB2 . . 4.910 3.999 3.999 3.999 . 0 0 "[ ]" 1
1430 1 18 ARG QB 1 99 CYS HB3 . . 4.700 4.705 4.705 4.705 0.005 1 0 "[ ]" 1
1431 1 42 ALA MB 1 99 CYS HB3 . . 4.150 2.195 2.195 2.195 . 0 0 "[ ]" 1
1432 1 11 GLU HB2 1 18 ARG HE . . 4.970 2.728 2.728 2.728 . 0 0 "[ ]" 1
1433 1 11 GLU HB3 1 18 ARG HE . . 5.500 4.142 4.142 4.142 . 0 0 "[ ]" 1
1434 1 9 PRO HB3 1 40 TYR QE . . 5.500 5.285 5.285 5.285 . 0 0 "[ ]" 1
1435 1 11 GLU HB3 1 40 TYR QE . . 5.500 3.913 3.913 3.913 . 0 0 "[ ]" 1
1436 1 12 VAL MG2 1 19 PHE HB2 . . 4.640 4.668 4.668 4.668 0.028 1 0 "[ ]" 1
1437 1 20 LEU HG 1 40 TYR QE . . 5.360 5.122 5.122 5.122 . 0 0 "[ ]" 1
1438 1 20 LEU MD1 1 40 TYR QE . . 4.140 3.427 3.427 3.427 . 0 0 "[ ]" 1
1439 1 113 VAL HA 1 133 ILE MD . . 3.990 3.615 3.615 3.615 . 0 0 "[ ]" 1
1440 1 19 PHE HB3 1 21 ILE MG . . 4.470 3.656 3.656 3.656 . 0 0 "[ ]" 1
1441 1 63 ILE HA 1 63 ILE MG . . 3.490 2.515 2.515 2.515 . 0 0 "[ ]" 1
1442 1 63 ILE MG 1 64 THR HB . . 4.310 4.135 4.135 4.135 . 0 0 "[ ]" 1
1443 1 60 LYS HA 1 61 ASP HA . . 4.770 4.656 4.656 4.656 . 0 0 "[ ]" 1
1444 1 20 LEU HG 1 40 TYR HA . . 5.500 5.086 5.086 5.086 . 0 0 "[ ]" 1
1445 1 145 GLN HE21 1 146 LEU MD2 . . 5.120 2.439 2.439 2.439 . 0 0 "[ ]" 1
1446 1 130 ILE HA 1 146 LEU MD2 . . 5.500 5.466 5.466 5.466 . 0 0 "[ ]" 1
1447 1 68 TRP HH2 1 84 TRP HA . . 3.760 2.170 2.170 2.170 . 0 0 "[ ]" 1
1448 1 84 TRP HA 1 87 LEU HB3 . . 4.470 2.649 2.649 2.649 . 0 0 "[ ]" 1
1449 1 84 TRP HA 1 87 LEU HB2 . . 4.600 3.894 3.894 3.894 . 0 0 "[ ]" 1
1450 1 59 GLU HA 1 59 GLU QG . . 3.370 2.419 2.419 2.419 . 0 0 "[ ]" 1
1451 1 84 TRP HH2 1 114 LEU MD1 . . 5.090 5.102 5.102 5.102 0.012 1 0 "[ ]" 1
1452 1 9 PRO HA 1 20 LEU MD1 . . 4.760 4.364 4.364 4.364 . 0 0 "[ ]" 1
1453 1 10 VAL HA 1 20 LEU MD1 . . 4.890 3.707 3.707 3.707 . 0 0 "[ ]" 1
1454 1 20 LEU MD1 1 101 ALA HA . . 5.090 4.853 4.853 4.853 . 0 0 "[ ]" 1
1455 1 9 PRO HG3 1 20 LEU MD1 . . 4.760 3.104 3.104 3.104 . 0 0 "[ ]" 1
1456 1 64 THR MG 1 66 VAL MG2 . . 3.320 2.310 2.310 2.310 . 0 0 "[ ]" 1
1457 1 45 VAL MG2 1 66 VAL MG2 . . 4.180 4.204 4.204 4.204 0.024 1 0 "[ ]" 1
1458 1 65 VAL MG1 1 66 VAL MG1 . . 4.940 4.944 4.944 4.944 0.004 1 0 "[ ]" 1
1459 1 51 VAL MG1 1 67 ASP HA . . 4.560 2.133 2.133 2.133 . 0 0 "[ ]" 1
1460 1 74 ALA HA 1 75 PRO QD . . 3.560 2.094 2.094 2.094 . 0 0 "[ ]" 1
1461 1 74 ALA HA 1 75 PRO HG3 . . 4.620 4.547 4.547 4.547 . 0 0 "[ ]" 1
1462 1 147 THR HB 1 150 GLU QG . . 4.420 4.089 4.089 4.089 . 0 0 "[ ]" 1
1463 1 39 LYS HB3 1 40 TYR QD . . 4.590 3.167 3.167 3.167 . 0 0 "[ ]" 1
1464 1 39 LYS HB2 1 40 TYR QD . . 4.590 4.608 4.608 4.608 0.018 1 0 "[ ]" 1
1465 1 148 TYR HA 1 148 TYR QD . . 3.750 3.708 3.708 3.708 . 0 0 "[ ]" 1
1466 1 33 PHE HA 1 33 PHE QD . . 3.790 2.874 2.874 2.874 . 0 0 "[ ]" 1
1467 1 19 PHE QD 1 100 VAL HA . . 5.260 5.276 5.276 5.276 0.016 1 0 "[ ]" 1
1468 1 127 GLU HA 1 127 GLU HG2 . . 4.090 2.423 2.423 2.423 . 0 0 "[ ]" 1
1469 1 147 THR MG 1 148 TYR HA . . 5.500 5.540 5.540 5.540 0.040 1 0 "[ ]" 1
1470 1 56 THR HB 1 57 PRO HD2 . . 4.460 4.223 4.223 4.223 . 0 0 "[ ]" 1
1471 1 43 THR MG 1 63 ILE HA . . 5.200 4.662 4.662 4.662 . 0 0 "[ ]" 1
1472 1 68 TRP HD1 1 69 PRO HD2 . . 5.500 5.557 5.557 5.557 0.057 1 0 "[ ]" 1
1473 1 68 TRP HD1 1 69 PRO HD3 . . 5.500 5.497 5.497 5.497 . 0 0 "[ ]" 1
1474 1 68 TRP HA 1 69 PRO QG . . 5.240 5.263 5.263 5.263 0.023 1 0 "[ ]" 1
1475 1 68 TRP HA 1 69 PRO QB . . 5.500 5.387 5.387 5.387 . 0 0 "[ ]" 1
1476 1 51 VAL MG1 1 68 TRP HA . . 5.120 4.873 4.873 4.873 . 0 0 "[ ]" 1
1477 1 68 TRP HA 1 80 VAL MG2 . . 5.500 5.135 5.135 5.135 . 0 0 "[ ]" 1
1478 1 14 TYR QD 1 16 HIS HD2 . . 3.030 3.031 3.031 3.031 0.001 1 0 "[ ]" 1
1479 1 53 TYR HA 1 53 TYR QE . . 5.500 5.562 5.562 5.562 0.062 1 0 "[ ]" 1
1480 1 126 TYR QE 1 127 GLU HA . . 4.460 3.776 3.776 3.776 . 0 0 "[ ]" 1
1481 1 126 TYR QE 1 146 LEU HA . . 4.490 4.490 4.490 4.490 . 1 0 "[ ]" 1
1482 1 126 TYR HA 1 126 TYR QE . . 5.500 5.564 5.564 5.564 0.064 1 0 "[ ]" 1
1483 1 126 TYR QE 1 149 LEU HA . . 5.500 5.410 5.410 5.410 . 0 0 "[ ]" 1
1484 1 126 TYR QE 1 130 ILE MD . . 3.370 3.390 3.390 3.390 0.020 1 0 "[ ]" 1
1485 1 68 TRP HZ3 1 84 TRP HA . . 4.740 4.260 4.260 4.260 . 0 0 "[ ]" 1
1486 1 13 SER HB3 1 14 TYR HA . . 5.500 5.375 5.375 5.375 . 0 0 "[ ]" 1
1487 1 12 VAL HA 1 13 SER HB3 . . 5.070 4.614 4.614 4.614 . 0 0 "[ ]" 1
1488 1 13 SER HB2 1 18 ARG HD2 . . 4.860 3.074 3.074 3.074 . 0 0 "[ ]" 1
1489 1 13 SER HB2 1 18 ARG HD3 . . 4.860 4.069 4.069 4.069 . 0 0 "[ ]" 1
1490 1 68 TRP HZ3 1 84 TRP HB2 . . 5.320 4.090 4.090 4.090 . 0 0 "[ ]" 1
1491 1 68 TRP HZ2 1 87 LEU HB2 . . 4.810 3.502 3.502 3.502 . 0 0 "[ ]" 1
1492 1 68 TRP HZ2 1 87 LEU HB3 . . 5.160 4.026 4.026 4.026 . 0 0 "[ ]" 1
1493 1 68 TRP HZ2 1 84 TRP HA . . 5.030 3.736 3.736 3.736 . 0 0 "[ ]" 1
1494 1 19 PHE HA 1 101 ALA HA . . 5.060 4.444 4.444 4.444 . 0 0 "[ ]" 1
1495 1 19 PHE HA 1 20 LEU HA . . 5.390 4.461 4.461 4.461 . 0 0 "[ ]" 1
1496 1 19 PHE HA 1 100 VAL HB . . 4.760 3.019 3.019 3.019 . 0 0 "[ ]" 1
1497 1 68 TRP HZ3 1 87 LEU MD2 . . 4.610 3.925 3.925 3.925 . 0 0 "[ ]" 1
1498 1 68 TRP HZ2 1 80 VAL HA . . 5.290 5.264 5.264 5.264 . 0 0 "[ ]" 1
1499 1 148 TYR QD 1 151 LYS HB2 . . 5.500 5.520 5.520 5.520 0.020 1 0 "[ ]" 1
1500 1 69 PRO HA 1 70 PHE QD . . 4.980 4.507 4.507 4.507 . 0 0 "[ ]" 1
1501 1 37 LEU HA 1 40 TYR QD . . 4.770 3.399 3.399 3.399 . 0 0 "[ ]" 1
1502 1 11 GLU HB2 1 40 TYR QD . . 5.500 4.355 4.355 4.355 . 0 0 "[ ]" 1
1503 1 40 TYR QD 1 42 ALA MB . . 5.500 4.654 4.654 4.654 . 0 0 "[ ]" 1
1504 1 39 LYS QD 1 40 TYR QD . . 4.740 4.396 4.396 4.396 . 0 0 "[ ]" 1
1505 1 36 ASP HA 1 40 TYR QE . . 4.480 4.124 4.124 4.124 . 0 0 "[ ]" 1
1506 1 19 PHE HZ 1 87 LEU MD1 . . 4.680 4.352 4.352 4.352 . 0 0 "[ ]" 1
1507 1 19 PHE HZ 1 88 VAL MG2 . . 4.530 2.096 2.096 2.096 . 0 0 "[ ]" 1
1508 1 19 PHE HZ 1 87 LEU HG . . 4.710 3.359 3.359 3.359 . 0 0 "[ ]" 1
1509 1 88 VAL MG2 1 118 ALA HA . . 5.500 5.593 5.593 5.593 0.093 1 0 "[ ]" 1
1510 1 84 TRP HE3 1 114 LEU MD1 . . 5.240 5.272 5.272 5.272 0.032 1 0 "[ ]" 1
1511 1 84 TRP HD1 1 114 LEU MD1 . . 4.370 2.563 2.563 2.563 . 0 0 "[ ]" 1
1512 1 20 LEU MD1 1 101 ALA MB . . 4.890 4.527 4.527 4.527 . 0 0 "[ ]" 1
1513 1 73 GLY HA2 1 74 ALA MB . . 5.120 4.991 4.991 4.991 . 0 0 "[ ]" 1
1514 1 73 GLY HA3 1 74 ALA MB . . 5.120 4.477 4.477 4.477 . 0 0 "[ ]" 1
1515 1 69 PRO HD3 1 74 ALA MB . . 5.500 5.184 5.184 5.184 . 0 0 "[ ]" 1
1516 1 68 TRP HB2 1 74 ALA MB . . 5.500 5.137 5.137 5.137 . 0 0 "[ ]" 1
1517 1 68 TRP HB3 1 74 ALA MB . . 4.830 3.881 3.881 3.881 . 0 0 "[ ]" 1
1518 1 46 VAL HA 1 66 VAL MG2 . . 3.890 3.241 3.241 3.241 . 0 0 "[ ]" 1
1519 1 66 VAL HA 1 66 VAL MG2 . . 3.740 2.535 2.535 2.535 . 0 0 "[ ]" 1
1520 1 64 THR HB 1 66 VAL MG2 . . 4.680 4.060 4.060 4.060 . 0 0 "[ ]" 1
1521 1 65 VAL HA 1 66 VAL MG2 . . 4.780 3.405 3.405 3.405 . 0 0 "[ ]" 1
1522 1 66 VAL MG2 1 91 LYS QD . . 4.960 3.604 3.604 3.604 . 0 0 "[ ]" 1
1523 1 120 ILE MG 1 121 GLU HG2 . . 4.260 3.392 3.392 3.392 . 0 0 "[ ]" 1
1524 1 120 ILE MG 1 152 TYR HB3 . . 5.500 5.145 5.145 5.145 . 0 0 "[ ]" 1
1525 1 117 LEU MD2 1 120 ILE MG . . 4.610 4.258 4.258 4.258 . 0 0 "[ ]" 1
1526 1 153 ARG QD 1 154 PRO QD . . 4.740 4.272 4.272 4.272 . 0 0 "[ ]" 1
1527 1 20 LEU HA 1 101 ALA HA . . 5.080 4.353 4.353 4.353 . 0 0 "[ ]" 1
1528 1 8 ALA HA 1 9 PRO HG2 . . 4.820 4.592 4.592 4.592 . 0 0 "[ ]" 1
1529 1 126 TYR QE 1 146 LEU HG . . 4.510 3.898 3.898 3.898 . 0 0 "[ ]" 1
1530 1 126 TYR QE 1 149 LEU QB . . 4.050 2.430 2.430 2.430 . 0 0 "[ ]" 1
1531 1 14 TYR HB3 1 16 HIS HD2 . . 4.800 2.472 2.472 2.472 . 0 0 "[ ]" 1
1532 1 117 LEU HA 1 120 ILE HB . . 3.960 3.294 3.294 3.294 . 0 0 "[ ]" 1
1533 1 34 ILE HA 1 37 LEU HB2 . . 4.900 4.796 4.796 4.796 . 0 0 "[ ]" 1
1534 1 55 LYS HA 1 58 LEU QB . . 5.390 5.156 5.156 5.156 . 0 0 "[ ]" 1
1535 1 58 LEU QB 1 59 GLU HA . . 5.500 4.807 4.807 4.807 . 0 0 "[ ]" 1
1536 1 125 LYS HA 1 128 ASP QB . . 5.500 4.878 4.878 4.878 . 0 0 "[ ]" 1
1537 1 57 PRO HB3 1 58 LEU QB . . 5.350 5.378 5.378 5.378 0.028 1 0 "[ ]" 1
1538 1 132 PHE HB2 1 133 ILE MG . . 4.700 4.392 4.392 4.392 . 0 0 "[ ]" 1
1539 1 33 PHE HB2 1 34 ILE QG . . 4.930 4.825 4.825 4.825 . 0 0 "[ ]" 1
1540 1 129 ALA MB 1 132 PHE HB2 . . 4.840 4.210 4.210 4.210 . 0 0 "[ ]" 1
1541 1 120 ILE MD 1 128 ASP QB . . 5.060 5.096 5.096 5.096 0.036 1 0 "[ ]" 1
1542 1 119 LEU HB3 1 129 ALA HA . . 5.210 4.730 4.730 4.730 . 0 0 "[ ]" 1
1543 1 119 LEU HB2 1 129 ALA HA . . 5.500 5.518 5.518 5.518 0.018 1 0 "[ ]" 1
1544 1 119 LEU HB2 1 124 MET ME . . 5.210 4.888 4.888 4.888 . 0 0 "[ ]" 1
1545 1 119 LEU HB2 1 120 ILE MD . . 4.780 4.099 4.099 4.099 . 0 0 "[ ]" 1
1546 1 68 TRP HH2 1 83 ASP HB3 . . 5.420 3.648 3.648 3.648 . 0 0 "[ ]" 1
1547 1 68 TRP HH2 1 83 ASP HB2 . . 5.420 5.241 5.241 5.241 . 0 0 "[ ]" 1
1548 1 81 VAL MG2 1 82 GLU QG . . 4.760 3.246 3.246 3.246 . 0 0 "[ ]" 1
1549 1 91 LYS QD 1 94 GLU HG3 . . 5.500 4.838 4.838 4.838 . 0 0 "[ ]" 1
1550 1 90 ALA MB 1 94 GLU HG2 . . 5.400 4.627 4.627 4.627 . 0 0 "[ ]" 1
1551 1 91 LYS QD 1 94 GLU HG2 . . 5.500 3.808 3.808 3.808 . 0 0 "[ ]" 1
1552 1 91 LYS QB 1 94 GLU HG3 . . 5.170 4.468 4.468 4.468 . 0 0 "[ ]" 1
1553 1 121 GLU HG2 1 158 LEU HG . . 5.500 5.143 5.143 5.143 . 0 0 "[ ]" 1
1554 1 121 GLU HG3 1 158 LEU HG . . 5.500 4.068 4.068 4.068 . 0 0 "[ ]" 1
1555 1 121 GLU HG3 1 158 LEU MD1 . . 4.920 4.178 4.178 4.178 . 0 0 "[ ]" 1
1556 1 118 ALA HA 1 121 GLU HG2 . . 5.490 3.856 3.856 3.856 . 0 0 "[ ]" 1
1557 1 118 ALA HA 1 121 GLU HG3 . . 5.500 4.238 4.238 4.238 . 0 0 "[ ]" 1
1558 1 121 GLU HG2 1 148 TYR QE . . 5.010 4.576 4.576 4.576 . 0 0 "[ ]" 1
1559 1 126 TYR QE 1 127 GLU HG3 . . 5.050 3.900 3.900 3.900 . 0 0 "[ ]" 1
1560 1 126 TYR QE 1 127 GLU HG2 . . 5.050 2.974 2.974 2.974 . 0 0 "[ ]" 1
1561 1 82 GLU QG 1 83 ASP HA . . 4.500 4.029 4.029 4.029 . 0 0 "[ ]" 1
1562 1 17 MET HB3 1 92 PHE QD . . 4.340 2.974 2.974 2.974 . 0 0 "[ ]" 1
1563 1 44 THR HB 1 64 THR HB . . 4.950 4.316 4.316 4.316 . 0 0 "[ ]" 1
1564 1 43 THR HB 1 63 ILE MG . . 4.830 4.204 4.204 4.204 . 0 0 "[ ]" 1
1565 1 46 VAL HB 1 102 VAL HA . . 4.980 3.889 3.889 3.889 . 0 0 "[ ]" 1
1566 1 11 GLU HB3 1 40 TYR QD . . 5.380 3.369 3.369 3.369 . 0 0 "[ ]" 1
1567 1 56 THR HA 1 56 THR MG . . 3.060 3.080 3.080 3.080 0.020 1 0 "[ ]" 1
1568 1 79 LYS HB2 1 80 VAL HA . . 5.350 5.134 5.134 5.134 . 0 0 "[ ]" 1
1569 1 79 LYS QG 1 80 VAL HA . . 5.090 3.367 3.367 3.367 . 0 0 "[ ]" 1
1570 1 14 TYR QE 1 15 LYS HB3 . . 5.090 5.100 5.100 5.100 0.010 1 0 "[ ]" 1
1571 1 126 TYR QD 1 127 GLU HB2 . . 5.060 5.082 5.082 5.082 0.022 1 0 "[ ]" 1
1572 1 120 ILE HG13 1 126 TYR QD . . 5.010 4.758 4.758 4.758 . 0 0 "[ ]" 1
1573 1 120 ILE HG12 1 126 TYR HA . . 4.550 2.997 2.997 2.997 . 0 0 "[ ]" 1
1574 1 117 LEU HA 1 120 ILE HG12 . . 5.020 4.873 4.873 4.873 . 0 0 "[ ]" 1
1575 1 126 TYR QE 1 130 ILE HG13 . . 5.330 4.176 4.176 4.176 . 0 0 "[ ]" 1
1576 1 126 TYR QE 1 130 ILE HG12 . . 5.330 4.359 4.359 4.359 . 0 0 "[ ]" 1
1577 1 86 SER QB 1 89 LYS QG . . 4.730 4.762 4.762 4.762 0.032 1 0 "[ ]" 1
1578 1 140 ALA MB 1 141 ILE HA . . 4.480 4.387 4.387 4.387 . 0 0 "[ ]" 1
1579 1 117 LEU HB2 1 117 LEU MD1 . . 3.620 3.166 3.166 3.166 . 0 0 "[ ]" 1
1580 1 87 LEU HB2 1 87 LEU MD2 . . 3.330 2.623 2.623 2.623 . 0 0 "[ ]" 1
1581 1 87 LEU MD2 1 88 VAL HA . . 4.230 3.980 3.980 3.980 . 0 0 "[ ]" 1
1582 1 37 LEU HA 1 37 LEU MD1 . . 4.510 3.876 3.876 3.876 . 0 0 "[ ]" 1
1583 1 58 LEU MD2 1 63 ILE MG . . 3.560 2.148 2.148 2.148 . 0 0 "[ ]" 1
1584 1 87 LEU MD2 1 100 VAL MG2 . . 4.280 4.294 4.294 4.294 0.014 1 0 "[ ]" 1
1585 1 117 LEU HB3 1 117 LEU MD1 . . 3.620 2.283 2.283 2.283 . 0 0 "[ ]" 1
1586 1 117 LEU MD1 1 121 GLU HB3 . . 4.530 4.402 4.402 4.402 . 0 0 "[ ]" 1
1587 1 37 LEU MD1 1 38 LYS HA . . 5.080 3.065 3.065 3.065 . 0 0 "[ ]" 1
1588 1 87 LEU MD1 1 91 LYS HE2 . . 4.070 3.911 3.911 3.911 . 0 0 "[ ]" 1
1589 1 87 LEU MD1 1 88 VAL HA . . 4.960 4.288 4.288 4.288 . 0 0 "[ ]" 1
1590 1 34 ILE HA 1 58 LEU MD2 . . 4.830 4.667 4.667 4.667 . 0 0 "[ ]" 1
1591 1 84 TRP HA 1 87 LEU MD1 . . 5.190 5.006 5.006 5.006 . 0 0 "[ ]" 1
1592 1 68 TRP HZ2 1 87 LEU MD2 . . 4.700 3.233 3.233 3.233 . 0 0 "[ ]" 1
1593 1 155 LYS QD 1 156 GLN HB2 . . 4.410 2.566 2.566 2.566 . 0 0 "[ ]" 1
1594 1 84 TRP HB2 1 117 LEU MD1 . . 3.730 3.754 3.754 3.754 0.024 1 0 "[ ]" 1
1595 1 57 PRO HD2 1 58 LEU MD1 . . 4.810 3.060 3.060 3.060 . 0 0 "[ ]" 1
1596 1 85 LEU HA 1 158 LEU MD1 . . 4.700 4.397 4.397 4.397 . 0 0 "[ ]" 1
1597 1 57 PRO HD3 1 58 LEU MD1 . . 4.810 4.493 4.493 4.493 . 0 0 "[ ]" 1
1598 1 126 TYR QE 1 149 LEU HG . . 4.620 4.651 4.651 4.651 0.031 1 0 "[ ]" 1
1599 1 84 TRP HD1 1 114 LEU HG . . 5.250 4.346 4.346 4.346 . 0 0 "[ ]" 1
1600 1 84 TRP HH2 1 114 LEU HG . . 5.070 4.641 4.641 4.641 . 0 0 "[ ]" 1
1601 1 9 PRO HG3 1 20 LEU HG . . 4.830 4.403 4.403 4.403 . 0 0 "[ ]" 1
1602 1 9 PRO HG2 1 20 LEU MD1 . . 4.760 2.388 2.388 2.388 . 0 0 "[ ]" 1
1603 1 84 TRP HE3 1 85 LEU HG . . 4.740 4.610 4.610 4.610 . 0 0 "[ ]" 1
1604 1 19 PHE QE 1 87 LEU HG . . 4.580 4.466 4.466 4.466 . 0 0 "[ ]" 1
1605 1 90 ALA HA 1 93 CYS QB . . 3.600 2.041 2.041 2.041 . 0 0 "[ ]" 1
1606 1 57 PRO HG2 1 58 LEU HA . . 4.530 4.564 4.564 4.564 0.034 1 0 "[ ]" 1
1607 1 13 SER HB2 1 18 ARG HG3 . . 4.390 2.273 2.273 2.273 . 0 0 "[ ]" 1
1608 1 13 SER HB3 1 18 ARG HG3 . . 4.460 3.746 3.746 3.746 . 0 0 "[ ]" 1
1609 1 17 MET HG2 1 19 PHE QE . . 4.560 2.509 2.509 2.509 . 0 0 "[ ]" 1
1610 1 56 THR HA 1 60 LYS QE . . 4.880 3.240 3.240 3.240 . 0 0 "[ ]" 1
1611 1 121 GLU HG2 1 154 PRO QB . . 5.100 5.054 5.054 5.054 . 0 0 "[ ]" 1
1612 1 18 ARG QB 1 92 PHE QD . . 4.860 4.824 4.824 4.824 . 0 0 "[ ]" 1
1613 1 32 THR HB 1 35 GLU HG3 . . 5.500 5.532 5.532 5.532 0.032 1 0 "[ ]" 1
1614 1 119 LEU HB3 1 124 MET QB . . 4.700 4.115 4.115 4.115 . 0 0 "[ ]" 1
1615 1 65 VAL MG1 1 66 VAL HB . . 4.990 4.757 4.757 4.757 . 0 0 "[ ]" 1
1616 1 119 LEU MD2 1 124 MET QB . . 5.140 3.901 3.901 3.901 . 0 0 "[ ]" 1
1617 1 155 LYS HB3 1 157 ARG QD . . 5.500 5.382 5.382 5.382 . 0 0 "[ ]" 1
1618 1 19 PHE QD 1 100 VAL HB . . 4.070 3.024 3.024 3.024 . 0 0 "[ ]" 1
1619 1 59 GLU QG 1 60 LYS HG3 . . 4.470 4.489 4.489 4.489 0.019 1 0 "[ ]" 1
1620 1 11 GLU QG 1 18 ARG HE . . 4.980 1.963 1.963 1.963 . 0 0 "[ ]" 1
1621 1 11 GLU QG 1 20 LEU MD1 . . 4.920 3.819 3.819 3.819 . 0 0 "[ ]" 1
1622 1 10 VAL MG1 1 11 GLU QG . . 5.020 4.757 4.757 4.757 . 0 0 "[ ]" 1
1623 1 116 ALA MB 1 133 ILE HB . . 4.610 3.606 3.606 3.606 . 0 0 "[ ]" 1
1624 1 133 ILE HB 1 140 ALA MB . . 5.200 3.881 3.881 3.881 . 0 0 "[ ]" 1
1625 1 58 LEU HA 1 63 ILE HB . . 4.740 4.476 4.476 4.476 . 0 0 "[ ]" 1
1626 1 81 VAL MG2 1 152 TYR HB2 . . 5.250 3.158 3.158 3.158 . 0 0 "[ ]" 1
1627 1 117 LEU MD2 1 152 TYR HB2 . . 5.500 5.497 5.497 5.497 . 0 0 "[ ]" 1
1628 1 114 LEU QB 1 115 VAL MG1 . . 5.400 5.076 5.076 5.076 . 0 0 "[ ]" 1
1629 1 129 ALA MB 1 132 PHE HB3 . . 4.840 3.816 3.816 3.816 . 0 0 "[ ]" 1
1630 1 132 PHE HB3 1 133 ILE MG . . 4.700 2.820 2.820 2.820 . 0 0 "[ ]" 1
1631 1 124 MET QB 1 128 ASP QB . . 4.960 4.221 4.221 4.221 . 0 0 "[ ]" 1
1632 1 125 LYS QG 1 128 ASP QB . . 5.120 4.790 4.790 4.790 . 0 0 "[ ]" 1
1633 1 37 LEU HB2 1 63 ILE MG . . 4.790 4.804 4.804 4.804 0.014 1 0 "[ ]" 1
1634 1 58 LEU QB 1 63 ILE MG . . 4.520 3.977 3.977 3.977 . 0 0 "[ ]" 1
1635 1 85 LEU HB2 1 86 SER QB . . 4.970 4.260 4.260 4.260 . 0 0 "[ ]" 1
1636 1 121 GLU HB2 1 158 LEU HB3 . . 5.500 5.415 5.415 5.415 . 0 0 "[ ]" 1
1637 1 30 LEU HB3 1 34 ILE QG . . 5.210 5.004 5.004 5.004 . 0 0 "[ ]" 1
1638 1 30 LEU HB2 1 34 ILE QG . . 5.210 5.046 5.046 5.046 . 0 0 "[ ]" 1
1639 1 84 TRP HZ2 1 114 LEU QB . . 4.550 4.284 4.284 4.284 . 0 0 "[ ]" 1
1640 1 84 TRP HZ2 1 88 VAL MG2 . . 4.850 3.321 3.321 3.321 . 0 0 "[ ]" 1
1641 1 84 TRP HZ2 1 115 VAL MG2 . . 5.290 3.605 3.605 3.605 . 0 0 "[ ]" 1
1642 1 68 TRP HZ2 1 87 LEU MD1 . . 4.560 4.170 4.170 4.170 . 0 0 "[ ]" 1
1643 1 119 LEU HG 1 124 MET ME . . 4.260 2.905 2.905 2.905 . 0 0 "[ ]" 1
1644 1 8 ALA MB 1 9 PRO HD3 . . 3.810 3.432 3.432 3.432 . 0 0 "[ ]" 1
1645 1 8 ALA MB 1 9 PRO HG2 . . 4.460 3.660 3.660 3.660 . 0 0 "[ ]" 1
1646 1 120 ILE MG 1 154 PRO QG . . 3.360 3.381 3.381 3.381 0.021 1 0 "[ ]" 1
1647 1 118 ALA MB 1 158 LEU MD1 . . 3.920 2.827 2.827 2.827 . 0 0 "[ ]" 1
1648 1 85 LEU HA 1 118 ALA MB . . 4.810 4.876 4.876 4.876 0.066 1 0 "[ ]" 1
1649 1 51 VAL HA 1 67 ASP HA . . 5.500 5.505 5.505 5.505 0.005 1 0 "[ ]" 1
1650 1 60 LYS QB 1 61 ASP HA . . 4.870 4.359 4.359 4.359 . 0 0 "[ ]" 1
1651 1 66 VAL MG1 1 68 TRP HE3 . . 5.500 4.713 4.713 4.713 . 0 0 "[ ]" 1
1652 1 66 VAL MG1 1 68 TRP HH2 . . 5.500 4.707 4.707 4.707 . 0 0 "[ ]" 1
1653 1 11 GLU HA 1 20 LEU HG . . 4.560 4.633 4.633 4.633 0.073 1 0 "[ ]" 1
1654 1 17 MET HA 1 92 PHE HB2 . . 5.330 3.726 3.726 3.726 . 0 0 "[ ]" 1
1655 1 46 VAL HB 1 66 VAL MG1 . . 5.500 5.187 5.187 5.187 . 0 0 "[ ]" 1
1656 1 66 VAL MG1 1 87 LEU HB2 . . 5.500 4.402 4.402 4.402 . 0 0 "[ ]" 1
1657 1 46 VAL HB 1 66 VAL MG2 . . 4.930 4.677 4.677 4.677 . 0 0 "[ ]" 1
1658 1 13 SER HA 1 18 ARG HG2 . . 4.590 3.911 3.911 3.911 . 0 0 "[ ]" 1
1659 1 13 SER HA 1 18 ARG HG3 . . 4.420 2.331 2.331 2.331 . 0 0 "[ ]" 1
1660 1 12 VAL MG2 1 13 SER HA . . 4.840 4.337 4.337 4.337 . 0 0 "[ ]" 1
1661 1 19 PHE HA 1 21 ILE MG . . 5.500 5.512 5.512 5.512 0.012 1 0 "[ ]" 1
1662 1 18 ARG HA 1 18 ARG HD2 . . 5.500 4.331 4.331 4.331 . 0 0 "[ ]" 1
1663 1 14 TYR HB2 1 18 ARG HA . . 5.500 4.380 4.380 4.380 . 0 0 "[ ]" 1
1664 1 18 ARG HA 1 18 ARG HD3 . . 5.500 4.768 4.768 4.768 . 0 0 "[ ]" 1
1665 1 14 TYR HB3 1 18 ARG HA . . 5.500 5.533 5.533 5.533 0.033 1 0 "[ ]" 1
1666 1 17 MET HA 1 18 ARG HA . . 5.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
1667 1 17 MET HB2 1 18 ARG HA . . 4.920 4.330 4.330 4.330 . 0 0 "[ ]" 1
1668 1 16 HIS HA 1 16 HIS HD2 . . 4.730 4.454 4.454 4.454 . 0 0 "[ ]" 1
1669 1 56 THR MG 1 57 PRO HD3 . . 4.040 2.085 2.085 2.085 . 0 0 "[ ]" 1
1670 1 20 LEU HA 1 20 LEU MD1 . . 3.370 2.113 2.113 2.113 . 0 0 "[ ]" 1
1671 1 20 LEU MD1 1 40 TYR QD . . 4.150 2.765 2.765 2.765 . 0 0 "[ ]" 1
1672 1 42 ALA HA 1 101 ALA MB . . 4.790 4.240 4.240 4.240 . 0 0 "[ ]" 1
1673 1 33 PHE HA 1 37 LEU MD2 . . 5.280 4.092 4.092 4.092 . 0 0 "[ ]" 1
1674 1 37 LEU MD2 1 45 VAL HA . . 5.100 4.172 4.172 4.172 . 0 0 "[ ]" 1
1675 1 37 LEU MD2 1 101 ALA HA . . 5.500 4.931 4.931 4.931 . 0 0 "[ ]" 1
1676 1 117 LEU MD2 1 118 ALA HA . . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
1677 1 37 LEU MD2 1 38 LYS HA . . 5.500 5.559 5.559 5.559 0.059 1 0 "[ ]" 1
1678 1 117 LEU HA 1 117 LEU MD2 . . 3.430 2.008 2.008 2.008 . 0 0 "[ ]" 1
1679 1 9 PRO HD2 1 20 LEU MD1 . . 5.330 4.413 4.413 4.413 . 0 0 "[ ]" 1
1680 1 9 PRO HD3 1 20 LEU MD1 . . 5.330 4.792 4.792 4.792 . 0 0 "[ ]" 1
1681 1 20 LEU MD1 1 37 LEU HA . . 5.500 4.640 4.640 4.640 . 0 0 "[ ]" 1
1682 1 34 ILE HA 1 37 LEU MD2 . . 4.830 2.230 2.230 2.230 . 0 0 "[ ]" 1
1683 1 81 VAL HA 1 81 VAL MG1 . . 3.460 2.251 2.251 2.251 . 0 0 "[ ]" 1
1684 1 34 ILE HA 1 34 ILE MG . . 3.570 2.453 2.453 2.453 . 0 0 "[ ]" 1
1685 1 68 TRP HZ2 1 83 ASP HA . . 4.720 4.271 4.271 4.271 . 0 0 "[ ]" 1
1686 1 68 TRP HH2 1 83 ASP HA . . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
1687 1 80 VAL HA 1 83 ASP HA . . 5.500 5.287 5.287 5.287 . 0 0 "[ ]" 1
1688 1 30 LEU HA 1 33 PHE HB3 . . 3.940 2.071 2.071 2.071 . 0 0 "[ ]" 1
1689 1 91 LYS HA 1 91 LYS HE3 . . 4.650 3.509 3.509 3.509 . 0 0 "[ ]" 1
1690 1 30 LEU HA 1 33 PHE QD . . 4.470 3.672 3.672 3.672 . 0 0 "[ ]" 1
1691 1 87 LEU HA 1 87 LEU MD1 . . 3.390 2.489 2.489 2.489 . 0 0 "[ ]" 1
1692 1 126 TYR QE 1 150 GLU HA . . 5.500 4.801 4.801 4.801 . 0 0 "[ ]" 1
1693 1 117 LEU HA 1 121 GLU HG2 . . 5.350 3.989 3.989 3.989 . 0 0 "[ ]" 1
1694 1 37 LEU HA 1 40 TYR QE . . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
1695 1 158 LEU HA 1 158 LEU MD2 . . 3.150 2.196 2.196 2.196 . 0 0 "[ ]" 1
1696 1 33 PHE QD 1 34 ILE QG . . 4.090 2.447 2.447 2.447 . 0 0 "[ ]" 1
1697 1 33 PHE QE 1 34 ILE QG . . 4.890 4.022 4.022 4.022 . 0 0 "[ ]" 1
1698 1 15 LYS HA 1 15 LYS HG3 . . 3.860 3.782 3.782 3.782 . 0 0 "[ ]" 1
1699 1 84 TRP HA 1 88 VAL MG2 . . 4.960 3.269 3.269 3.269 . 0 0 "[ ]" 1
1700 1 19 PHE HB3 1 21 ILE HA . . 5.500 5.530 5.530 5.530 0.030 1 0 "[ ]" 1
1701 1 112 PRO HA 1 115 VAL HB . . 4.390 3.416 3.416 3.416 . 0 0 "[ ]" 1
1702 1 130 ILE MG 1 140 ALA HA . . 4.950 4.945 4.945 4.945 . 0 0 "[ ]" 1
1703 1 133 ILE MD 1 140 ALA HA . . 5.300 3.860 3.860 3.860 . 0 0 "[ ]" 1
1704 1 134 ARG QG 1 135 GLN HA . . 4.720 4.750 4.750 4.750 0.030 1 0 "[ ]" 1
1705 1 130 ILE HA 1 133 ILE HG12 . . 4.720 3.355 3.355 3.355 . 0 0 "[ ]" 1
1706 1 56 THR HA 1 60 LYS QD . . 4.300 2.637 2.637 2.637 . 0 0 "[ ]" 1
1707 1 55 LYS HB2 1 59 GLU HB2 . . 3.600 2.641 2.641 2.641 . 0 0 "[ ]" 1
1708 1 56 THR HA 1 57 PRO HD2 . . 4.060 3.846 3.846 3.846 . 0 0 "[ ]" 1
1709 1 56 THR HA 1 57 PRO HD3 . . 4.060 4.128 4.128 4.128 0.068 1 0 "[ ]" 1
1710 1 85 LEU HB3 1 158 LEU HG . . 4.090 3.970 3.970 3.970 . 0 0 "[ ]" 1
1711 1 153 ARG HA 1 153 ARG QG . . 3.950 2.182 2.182 2.182 . 0 0 "[ ]" 1
1712 1 87 LEU HG 1 88 VAL HA . . 3.570 2.938 2.938 2.938 . 0 0 "[ ]" 1
1713 1 145 GLN HB3 1 146 LEU MD1 . . 4.970 3.592 3.592 3.592 . 0 0 "[ ]" 1
1714 1 114 LEU MD2 1 115 VAL MG2 . . 3.410 2.332 2.332 2.332 . 0 0 "[ ]" 1
1715 1 79 LYS HB2 1 81 VAL MG2 . . 4.280 4.286 4.286 4.286 0.006 1 0 "[ ]" 1
1716 1 84 TRP HZ3 1 88 VAL MG1 . . 3.640 3.024 3.024 3.024 . 0 0 "[ ]" 1
1717 1 119 LEU HB3 1 119 LEU MD2 . . 3.270 2.341 2.341 2.341 . 0 0 "[ ]" 1
1718 1 119 LEU MD2 1 124 MET HG2 . . 3.840 3.312 3.312 3.312 . 0 0 "[ ]" 1
1719 1 116 ALA MB 1 119 LEU MD2 . . 4.990 3.549 3.549 3.549 . 0 0 "[ ]" 1
1720 1 115 VAL MG1 1 116 ALA MB . . 4.350 4.311 4.311 4.311 . 0 0 "[ ]" 1
1721 1 79 LYS QG 1 80 VAL MG2 . . 3.130 2.675 2.675 2.675 . 0 0 "[ ]" 1
1722 1 51 VAL MG2 1 53 TYR H . . 4.760 4.285 4.285 4.285 . 0 0 "[ ]" 1
1723 1 12 VAL MG2 1 14 TYR QD . . 3.570 3.265 3.265 3.265 . 0 0 "[ ]" 1
1724 1 51 VAL MG2 1 70 PHE HA . . 4.150 2.023 2.023 2.023 . 0 0 "[ ]" 1
1725 1 58 LEU HG 1 65 VAL MG1 . . 4.770 4.776 4.776 4.776 0.006 1 0 "[ ]" 1
1726 1 69 PRO HA 1 70 PHE HA . . 4.630 4.613 4.613 4.613 . 0 0 "[ ]" 1
1727 1 90 ALA MB 1 91 LYS QG . . 4.170 3.342 3.342 3.342 . 0 0 "[ ]" 1
1728 1 11 GLU QG 1 12 VAL HA . . 5.500 4.418 4.418 4.418 . 0 0 "[ ]" 1
1729 1 116 ALA MB 1 119 LEU HB3 . . 4.130 3.572 3.572 3.572 . 0 0 "[ ]" 1
1730 1 39 LYS HA 1 39 LYS HG3 . . 3.680 2.448 2.448 2.448 . 0 0 "[ ]" 1
1731 1 94 GLU HA 1 94 GLU HG2 . . 4.240 4.231 4.231 4.231 . 0 0 "[ ]" 1
1732 1 117 LEU HA 1 120 ILE MD . . 4.060 3.327 3.327 3.327 . 0 0 "[ ]" 1
1733 1 117 LEU MD1 1 121 GLU HG2 . . 4.200 2.320 2.320 2.320 . 0 0 "[ ]" 1
1734 1 130 ILE MD 1 140 ALA MB . . 4.410 3.115 3.115 3.115 . 0 0 "[ ]" 1
1735 1 10 VAL MG1 1 12 VAL HB . . 3.500 3.471 3.471 3.471 . 0 0 "[ ]" 1
1736 1 66 VAL HB 1 87 LEU MD2 . . 4.480 4.125 4.125 4.125 . 0 0 "[ ]" 1
1737 1 51 VAL HB 1 70 PHE HA . . 4.820 4.705 4.705 4.705 . 0 0 "[ ]" 1
1738 1 115 VAL HB 1 116 ALA HA . . 4.790 4.433 4.433 4.433 . 0 0 "[ ]" 1
1739 1 51 VAL MG1 1 68 TRP HB2 . . 4.590 4.602 4.602 4.602 0.012 1 0 "[ ]" 1
1740 1 87 LEU HB3 1 88 VAL HB . . 4.930 4.910 4.910 4.910 . 0 0 "[ ]" 1
1741 1 43 THR MG 1 99 CYS HB3 . . 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
1742 1 50 GLU QB 1 51 VAL H . . 4.690 3.656 3.656 3.656 . 0 0 "[ ]" 1
1743 1 32 THR H 1 35 GLU HB2 . . 5.500 5.502 5.502 5.502 0.002 1 0 "[ ]" 1
1744 1 134 ARG H 1 135 GLN HB3 . . 4.750 4.644 4.644 4.644 . 0 0 "[ ]" 1
1745 1 96 PRO HD2 1 98 SER HA . . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1
1746 1 130 ILE MG 1 146 LEU HG . . 4.580 3.859 3.859 3.859 . 0 0 "[ ]" 1
1747 1 88 VAL HA 1 100 VAL MG1 . . 5.320 4.551 4.551 4.551 . 0 0 "[ ]" 1
1748 1 51 VAL MG2 1 52 THR H . . 4.780 4.042 4.042 4.042 . 0 0 "[ ]" 1
1749 1 46 VAL HA 1 65 VAL MG1 . . 4.740 4.481 4.481 4.481 . 0 0 "[ ]" 1
1750 1 51 VAL MG1 1 52 THR H . . 4.460 3.697 3.697 3.697 . 0 0 "[ ]" 1
1751 1 95 ALA MB 1 98 SER QB . . 4.290 1.946 1.946 1.946 . 0 0 "[ ]" 1
1752 1 70 PHE HA 1 71 ASP QB . . 4.820 4.459 4.459 4.459 . 0 0 "[ ]" 1
1753 1 122 SER HA 1 158 LEU HB2 . . 4.690 2.706 2.706 2.706 . 0 0 "[ ]" 1
1754 1 71 ASP HA 1 72 ASP QB . . 4.700 4.546 4.546 4.546 . 0 0 "[ ]" 1
1755 1 85 LEU HB2 1 121 GLU HB3 . . 5.450 5.551 5.551 5.551 0.101 1 0 "[ ]" 1
1756 1 129 ALA MB 1 130 ILE HA . . 5.110 4.010 4.010 4.010 . 0 0 "[ ]" 1
1757 1 59 GLU QG 1 60 LYS HA . . 4.620 3.468 3.468 3.468 . 0 0 "[ ]" 1
1758 1 119 LEU HA 1 129 ALA MB . . 5.050 5.097 5.097 5.097 0.047 1 0 "[ ]" 1
1759 1 119 LEU HA 1 123 GLY H . . 5.500 5.400 5.400 5.400 . 0 0 "[ ]" 1
1760 1 119 LEU HA 1 120 ILE MD . . 4.560 4.459 4.459 4.459 . 0 0 "[ ]" 1
1761 1 149 LEU HA 1 151 LYS H . . 4.510 3.593 3.593 3.593 . 0 0 "[ ]" 1
1762 1 9 PRO HB2 1 10 VAL HB . . 5.380 4.987 4.987 4.987 . 0 0 "[ ]" 1
1763 1 45 VAL HB 1 46 VAL H . . 4.860 3.181 3.181 3.181 . 0 0 "[ ]" 1
1764 1 124 MET HA 1 128 ASP QB . . 5.280 4.482 4.482 4.482 . 0 0 "[ ]" 1
1765 1 150 GLU HA 1 151 LYS HA . . 4.970 4.594 4.594 4.594 . 0 0 "[ ]" 1
1766 1 17 MET HA 1 18 ARG QB . . 4.810 4.127 4.127 4.127 . 0 0 "[ ]" 1
1767 1 41 GLY H 1 42 ALA HA . . 5.210 5.188 5.188 5.188 . 0 0 "[ ]" 1
1768 1 8 ALA HA 1 9 PRO HD3 . . 3.390 2.526 2.526 2.526 . 0 0 "[ ]" 1
1769 1 21 ILE H 1 101 ALA HA . . 5.030 5.006 5.006 5.006 . 0 0 "[ ]" 1
1770 1 92 PHE H 1 93 CYS QB . . 4.420 3.895 3.895 3.895 . 0 0 "[ ]" 1
1771 1 85 LEU HG 1 121 GLU HG2 . . 4.460 4.139 4.139 4.139 . 0 0 "[ ]" 1
1772 1 85 LEU HG 1 121 GLU HB3 . . 3.630 3.153 3.153 3.153 . 0 0 "[ ]" 1
1773 1 34 ILE HA 1 37 LEU HB3 . . 4.450 4.535 4.535 4.535 0.085 1 0 "[ ]" 1
1774 1 19 PHE QE 1 100 VAL MG1 . . 4.380 2.820 2.820 2.820 . 0 0 "[ ]" 1
1775 1 66 VAL MG1 1 87 LEU MD2 . . 4.160 3.252 3.252 3.252 . 0 0 "[ ]" 1
1776 1 88 VAL MG1 1 118 ALA MB . . 3.890 3.450 3.450 3.450 . 0 0 "[ ]" 1
1777 1 90 ALA HA 1 93 CYS HA . . 5.210 4.700 4.700 4.700 . 0 0 "[ ]" 1
1778 1 86 SER HA 1 89 LYS QB . . 4.210 2.422 2.422 2.422 . 0 0 "[ ]" 1
1779 1 116 ALA MB 1 133 ILE MG . . 3.170 2.239 2.239 2.239 . 0 0 "[ ]" 1
1780 1 51 VAL MG1 1 52 THR HA . . 5.500 5.544 5.544 5.544 0.044 1 0 "[ ]" 1
1781 1 116 ALA H 1 133 ILE HB . . 4.660 4.681 4.681 4.681 0.021 1 0 "[ ]" 1
1782 1 119 LEU HA 1 120 ILE HA . . 4.730 4.742 4.742 4.742 0.012 1 0 "[ ]" 1
1783 1 119 LEU HA 1 119 LEU MD2 . . 3.920 3.765 3.765 3.765 . 0 0 "[ ]" 1
1784 1 35 GLU HA 1 35 GLU HG3 . . 4.050 3.620 3.620 3.620 . 0 0 "[ ]" 1
1785 1 35 GLU HG3 1 36 ASP H . . 4.650 4.587 4.587 4.587 . 0 0 "[ ]" 1
1786 1 120 ILE HA 1 124 MET HA . . 4.690 4.300 4.300 4.300 . 0 0 "[ ]" 1
1787 1 120 ILE HA 1 125 LYS HA . . 5.060 4.544 4.544 4.544 . 0 0 "[ ]" 1
1788 1 70 PHE HA 1 71 ASP HA . . 4.760 4.648 4.648 4.648 . 0 0 "[ ]" 1
1789 1 119 LEU HG 1 129 ALA HA . . 4.060 3.562 3.562 3.562 . 0 0 "[ ]" 1
1790 1 78 GLY QA 1 79 LYS HB3 . . 4.440 4.381 4.381 4.381 . 0 0 "[ ]" 1
1791 1 124 MET HG3 1 125 LYS HA . . 4.640 4.454 4.454 4.454 . 0 0 "[ ]" 1
1792 1 60 LYS H 1 61 ASP HA . . 5.270 5.300 5.300 5.300 0.030 1 0 "[ ]" 1
1793 1 53 TYR HA 1 54 ASP HA . . 4.370 4.389 4.389 4.389 0.019 1 0 "[ ]" 1
1794 1 81 VAL HB 1 82 GLU H . . 4.600 3.565 3.565 3.565 . 0 0 "[ ]" 1
1795 1 140 ALA HA 1 141 ILE HA . . 4.870 4.469 4.469 4.469 . 0 0 "[ ]" 1
1796 1 91 LYS QB 1 94 GLU QB . . 5.500 5.507 5.507 5.507 0.007 1 0 "[ ]" 1
1797 1 94 GLU QB 1 95 ALA HA . . 5.320 4.954 4.954 4.954 . 0 0 "[ ]" 1
1798 1 37 LEU MD1 1 58 LEU MD2 . . 3.660 3.442 3.442 3.442 . 0 0 "[ ]" 1
1799 1 58 LEU MD2 1 59 GLU HA . . 4.910 2.805 2.805 2.805 . 0 0 "[ ]" 1
1800 1 58 LEU MD2 1 63 ILE HG12 . . 4.070 4.115 4.115 4.115 0.045 1 0 "[ ]" 1
1801 1 19 PHE QE 1 87 LEU MD1 . . 5.330 4.878 4.878 4.878 . 0 0 "[ ]" 1
1802 1 68 TRP HH2 1 87 LEU MD1 . . 5.500 4.726 4.726 4.726 . 0 0 "[ ]" 1
1803 1 34 ILE QG 1 63 ILE MD . . 4.150 3.816 3.816 3.816 . 0 0 "[ ]" 1
1804 1 90 ALA HA 1 91 LYS QG . . 5.500 5.296 5.296 5.296 . 0 0 "[ ]" 1
1805 1 81 VAL MG2 1 117 LEU MD2 . . 5.070 4.023 4.023 4.023 . 0 0 "[ ]" 1
1806 1 80 VAL MG2 1 81 VAL H . . 4.970 4.198 4.198 4.198 . 0 0 "[ ]" 1
1807 1 14 TYR QE 1 115 VAL MG1 . . 3.800 2.718 2.718 2.718 . 0 0 "[ ]" 1
1808 1 63 ILE HA 1 65 VAL MG2 . . 4.920 4.876 4.876 4.876 . 0 0 "[ ]" 1
1809 1 19 PHE QD 1 100 VAL MG2 . . 4.770 3.359 3.359 3.359 . 0 0 "[ ]" 1
1810 1 37 LEU HA 1 37 LEU MD2 . . 4.070 3.931 3.931 3.931 . 0 0 "[ ]" 1
1811 1 26 THR HA 1 26 THR MG . . 2.950 2.299 2.299 2.299 . 0 0 "[ ]" 1
1812 1 12 VAL MG1 1 19 PHE H . . 4.450 2.572 2.572 2.572 . 0 0 "[ ]" 1
1813 1 12 VAL MG1 1 13 SER H . . 4.560 4.250 4.250 4.250 . 0 0 "[ ]" 1
1814 1 114 LEU H 1 114 LEU MD1 . . 4.360 4.285 4.285 4.285 . 0 0 "[ ]" 1
1815 1 34 ILE MG 1 38 LYS QE . . 4.240 4.248 4.248 4.248 0.008 1 0 "[ ]" 1
1816 1 34 ILE MG 1 38 LYS HG2 . . 3.880 3.238 3.238 3.238 . 0 0 "[ ]" 1
1817 1 32 THR HA 1 35 GLU H . . 4.460 3.301 3.301 3.301 . 0 0 "[ ]" 1
1818 1 51 VAL MG2 1 69 PRO QB . . 3.970 3.971 3.971 3.971 0.001 1 0 "[ ]" 1
1819 1 80 VAL MG1 1 81 VAL H . . 4.010 3.794 3.794 3.794 . 0 0 "[ ]" 1
1820 1 79 LYS QG 1 80 VAL MG1 . . 4.700 4.747 4.747 4.747 0.047 1 0 "[ ]" 1
1821 1 134 ARG H 1 140 ALA MB . . 4.500 3.459 3.459 3.459 . 0 0 "[ ]" 1
1822 1 75 PRO HG2 1 79 LYS QE . . 4.310 3.115 3.115 3.115 . 0 0 "[ ]" 1
1823 1 74 ALA MB 1 75 PRO QD . . 3.360 2.233 2.233 2.233 . 0 0 "[ ]" 1
1824 1 71 ASP QB 1 74 ALA MB . . 4.550 4.530 4.530 4.530 . 0 0 "[ ]" 1
1825 1 74 ALA MB 1 75 PRO HG2 . . 4.940 3.870 3.870 3.870 . 0 0 "[ ]" 1
1826 1 74 ALA MB 1 75 PRO HG3 . . 5.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
1827 1 90 ALA MB 1 93 CYS H . . 4.310 4.136 4.136 4.136 . 0 0 "[ ]" 1
1828 1 119 LEU HA 1 124 MET ME . . 4.450 4.240 4.240 4.240 . 0 0 "[ ]" 1
1829 1 120 ILE MG 1 154 PRO QD . . 4.090 3.753 3.753 3.753 . 0 0 "[ ]" 1
1830 1 124 MET QB 1 124 MET ME . . 3.670 2.200 2.200 2.200 . 0 0 "[ ]" 1
1831 1 119 LEU MD2 1 124 MET ME . . 3.540 2.878 2.878 2.878 . 0 0 "[ ]" 1
1832 1 38 LYS HA 1 41 GLY H . . 4.730 3.413 3.413 3.413 . 0 0 "[ ]" 1
1833 1 130 ILE HA 1 130 ILE MD . . 3.960 2.307 2.307 2.307 . 0 0 "[ ]" 1
1834 1 128 ASP HA 1 131 GLN HG2 . . 5.500 5.481 5.481 5.481 . 0 0 "[ ]" 1
1835 1 11 GLU HB2 1 20 LEU H . . 5.500 5.542 5.542 5.542 0.042 1 0 "[ ]" 1
1836 1 44 THR HA 1 45 VAL HA . . 4.590 4.449 4.449 4.449 . 0 0 "[ ]" 1
1837 1 57 PRO HB2 1 58 LEU MD1 . . 4.570 4.551 4.551 4.551 . 0 0 "[ ]" 1
1838 1 20 LEU HB3 1 21 ILE HA . . 4.450 4.288 4.288 4.288 . 0 0 "[ ]" 1
1839 1 11 GLU HB2 1 20 LEU HA . . 5.340 4.110 4.110 4.110 . 0 0 "[ ]" 1
1840 1 20 LEU HA 1 21 ILE QG . . 5.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
1841 1 19 PHE H 1 20 LEU HA . . 4.910 4.932 4.932 4.932 0.022 1 0 "[ ]" 1
1842 1 44 THR H 1 100 VAL HA . . 4.520 3.371 3.371 3.371 . 0 0 "[ ]" 1
1843 1 18 ARG HG2 1 99 CYS HA . . 5.310 4.422 4.422 4.422 . 0 0 "[ ]" 1
1844 1 125 LYS H 1 126 TYR HA . . 5.500 4.879 4.879 4.879 . 0 0 "[ ]" 1
1845 1 126 TYR HA 1 129 ALA H . . 5.050 3.049 3.049 3.049 . 0 0 "[ ]" 1
1846 1 122 SER HA 1 158 LEU HG . . 4.830 4.789 4.789 4.789 . 0 0 "[ ]" 1
1847 1 43 THR MG 1 99 CYS HB2 . . 5.500 4.817 4.817 4.817 . 0 0 "[ ]" 1
1848 1 59 GLU HB3 1 60 LYS QD . . 3.380 2.531 2.531 2.531 . 0 0 "[ ]" 1
1849 1 153 ARG HA 1 153 ARG QD . . 4.100 3.932 3.932 3.932 . 0 0 "[ ]" 1
1850 1 126 TYR QB 1 129 ALA MB . . 4.470 3.159 3.159 3.159 . 0 0 "[ ]" 1
1851 1 63 ILE H 1 63 ILE MD . . 4.660 3.915 3.915 3.915 . 0 0 "[ ]" 1
1852 1 133 ILE MD 1 134 ARG H . . 4.580 3.313 3.313 3.313 . 0 0 "[ ]" 1
1853 1 9 PRO HA 1 10 VAL HB . . 4.700 4.514 4.514 4.514 . 0 0 "[ ]" 1
1854 1 82 GLU H 1 83 ASP HA . . 5.500 5.314 5.314 5.314 . 0 0 "[ ]" 1
1855 1 9 PRO HB3 1 20 LEU MD1 . . 4.550 3.613 3.613 3.613 . 0 0 "[ ]" 1
1856 1 125 LYS HB2 1 127 GLU H . . 5.120 4.354 4.354 4.354 . 0 0 "[ ]" 1
1857 1 125 LYS HB3 1 127 GLU H . . 5.120 3.089 3.089 3.089 . 0 0 "[ ]" 1
1858 1 120 ILE MD 1 126 TYR QD . . 4.390 4.311 4.311 4.311 . 0 0 "[ ]" 1
1859 1 30 LEU H 1 33 PHE HB3 . . 4.830 4.746 4.746 4.746 . 0 0 "[ ]" 1
1860 1 9 PRO HG2 1 20 LEU HG . . 4.830 4.265 4.265 4.265 . 0 0 "[ ]" 1
1861 1 44 THR HA 1 100 VAL HA . . 5.450 5.015 5.015 5.015 . 0 0 "[ ]" 1
1862 1 145 GLN HG3 1 146 LEU MD1 . . 4.610 4.379 4.379 4.379 . 0 0 "[ ]" 1
1863 1 58 LEU MD1 1 59 GLU HB2 . . 4.240 2.990 2.990 2.990 . 0 0 "[ ]" 1
1864 1 46 VAL HB 1 87 LEU MD1 . . 5.500 4.565 4.565 4.565 . 0 0 "[ ]" 1
1865 1 130 ILE HA 1 133 ILE MD . . 4.030 3.191 3.191 3.191 . 0 0 "[ ]" 1
1866 1 34 ILE HA 1 34 ILE QG . . 3.550 2.550 2.550 2.550 . 0 0 "[ ]" 1
1867 1 11 GLU HB3 1 20 LEU HA . . 4.340 4.036 4.036 4.036 . 0 0 "[ ]" 1
1868 1 84 TRP HA 1 85 LEU HA . . 4.880 4.665 4.665 4.665 . 0 0 "[ ]" 1
1869 1 58 LEU QB 1 65 VAL MG2 . . 4.080 4.164 4.164 4.164 0.084 1 0 "[ ]" 1
1870 1 58 LEU MD2 1 63 ILE HB . . 3.570 2.154 2.154 2.154 . 0 0 "[ ]" 1
1871 1 117 LEU MD1 1 120 ILE MG . . 4.540 4.418 4.418 4.418 . 0 0 "[ ]" 1
1872 1 60 LYS HA 1 60 LYS HG2 . . 3.770 3.733 3.733 3.733 . 0 0 "[ ]" 1
1873 1 80 VAL HA 1 80 VAL MG1 . . 3.570 2.458 2.458 2.458 . 0 0 "[ ]" 1
1874 1 120 ILE HG12 1 120 ILE MG . . 3.240 2.188 2.188 2.188 . 0 0 "[ ]" 1
1875 1 10 VAL MG1 1 12 VAL HA . . 3.970 3.982 3.982 3.982 0.012 1 0 "[ ]" 1
1876 1 125 LYS HA 1 126 TYR QB . . 4.690 4.232 4.232 4.232 . 0 0 "[ ]" 1
1877 1 11 GLU HA 1 11 GLU QG . . 3.870 3.529 3.529 3.529 . 0 0 "[ ]" 1
1878 1 7 PRO QB 1 8 ALA H . . 3.960 3.368 3.368 3.368 . 0 0 "[ ]" 1
1879 1 8 ALA H 1 9 PRO QD . . 4.970 4.483 4.483 4.483 . 0 0 "[ ]" 1
1880 1 8 ALA HA 1 9 PRO QG . . 4.220 4.118 4.118 4.118 . 0 0 "[ ]" 1
1881 1 8 ALA MB 1 9 PRO QG . . 3.850 3.505 3.505 3.505 . 0 0 "[ ]" 1
1882 1 8 ALA MB 1 9 PRO QD . . 3.170 2.113 2.113 2.113 . 0 0 "[ ]" 1
1883 1 9 PRO QG 1 20 LEU HB3 . . 4.940 3.970 3.970 3.970 . 0 0 "[ ]" 1
1884 1 9 PRO QG 1 20 LEU HG . . 4.220 3.858 3.858 3.858 . 0 0 "[ ]" 1
1885 1 9 PRO QG 1 20 LEU MD1 . . 3.880 2.314 2.314 2.314 . 0 0 "[ ]" 1
1886 1 9 PRO QG 1 40 TYR QD . . 4.580 3.090 3.090 3.090 . 0 0 "[ ]" 1
1887 1 9 PRO QG 1 40 TYR QE . . 4.080 2.776 2.776 2.776 . 0 0 "[ ]" 1
1888 1 9 PRO QD 1 20 LEU MD1 . . 4.680 4.076 4.076 4.076 . 0 0 "[ ]" 1
1889 1 11 GLU HA 1 18 ARG QD . . 4.610 4.644 4.644 4.644 0.034 1 0 "[ ]" 1
1890 1 11 GLU QG 1 18 ARG QD . . 4.760 3.264 3.264 3.264 . 0 0 "[ ]" 1
1891 1 13 SER HB3 1 18 ARG QD . . 4.510 4.547 4.547 4.547 0.037 1 0 "[ ]" 1
1892 1 14 TYR H 1 14 TYR QB . . 3.320 2.202 2.202 2.202 . 0 0 "[ ]" 1
1893 1 14 TYR QB 1 15 LYS H . . 4.280 2.953 2.953 2.953 . 0 0 "[ ]" 1
1894 1 14 TYR QB 1 16 HIS HD2 . . 4.220 2.444 2.444 2.444 . 0 0 "[ ]" 1
1895 1 14 TYR QB 1 18 ARG HA . . 4.640 4.222 4.222 4.222 . 0 0 "[ ]" 1
1896 1 14 TYR QB 1 88 VAL MG1 . . 4.800 4.853 4.853 4.853 0.053 1 0 "[ ]" 1
1897 1 14 TYR QD 1 15 LYS QG . . 4.590 2.287 2.287 2.287 . 0 0 "[ ]" 1
1898 1 14 TYR QD 1 15 LYS QD . . 4.370 3.691 3.691 3.691 . 0 0 "[ ]" 1
1899 1 14 TYR QE 1 15 LYS QG . . 4.490 3.850 3.850 3.850 . 0 0 "[ ]" 1
1900 1 15 LYS H 1 15 LYS QG . . 3.510 2.213 2.213 2.213 . 0 0 "[ ]" 1
1901 1 15 LYS HA 1 15 LYS QD . . 4.880 4.580 4.580 4.580 . 0 0 "[ ]" 1
1902 1 15 LYS HB3 1 15 LYS QD . . 3.610 2.509 2.509 2.509 . 0 0 "[ ]" 1
1903 1 15 LYS HB3 1 15 LYS QE . . 3.150 2.912 2.912 2.912 . 0 0 "[ ]" 1
1904 1 15 LYS QE 1 15 LYS QG . . 3.160 2.194 2.194 2.194 . 0 0 "[ ]" 1
1905 1 15 LYS QG 1 16 HIS H . . 4.200 2.426 2.426 2.426 . 0 0 "[ ]" 1
1906 1 15 LYS QG 1 16 HIS HA . . 4.240 3.534 3.534 3.534 . 0 0 "[ ]" 1
1907 1 15 LYS QG 1 16 HIS HD2 . . 4.200 2.793 2.793 2.793 . 0 0 "[ ]" 1
1908 1 15 LYS QG 1 17 MET H . . 4.720 4.642 4.642 4.642 . 0 0 "[ ]" 1
1909 1 15 LYS QD 1 16 HIS HD2 . . 4.290 4.118 4.118 4.118 . 0 0 "[ ]" 1
1910 1 15 LYS QD 1 122 SER QB . . 4.340 3.002 3.002 3.002 . 0 0 "[ ]" 1
1911 1 15 LYS QE 1 16 HIS HD2 . . 5.260 5.272 5.272 5.272 0.012 1 0 "[ ]" 1
1912 1 16 HIS QB 1 16 HIS HD2 . . 3.490 2.545 2.545 2.545 . 0 0 "[ ]" 1
1913 1 16 HIS QB 1 17 MET H . . 4.160 2.654 2.654 2.654 . 0 0 "[ ]" 1
1914 1 17 MET H 1 17 MET QG . . 3.230 2.916 2.916 2.916 . 0 0 "[ ]" 1
1915 1 17 MET QG 1 18 ARG H . . 4.980 3.709 3.709 3.709 . 0 0 "[ ]" 1
1916 1 17 MET QG 1 19 PHE QE . . 3.910 2.491 2.491 2.491 . 0 0 "[ ]" 1
1917 1 18 ARG HA 1 18 ARG QD . . 4.630 4.021 4.021 4.021 . 0 0 "[ ]" 1
1918 1 18 ARG QB 1 18 ARG QD . . 3.310 2.104 2.104 2.104 . 0 0 "[ ]" 1
1919 1 18 ARG QD 1 19 PHE H . . 5.330 4.759 4.759 4.759 . 0 0 "[ ]" 1
1920 1 20 LEU HG 1 99 CYS QB . . 5.230 4.200 4.200 4.200 . 0 0 "[ ]" 1
1921 1 25 PRO QB 1 26 THR H . . 3.170 2.026 2.026 2.026 . 0 0 "[ ]" 1
1922 1 26 THR H 1 30 LEU QD . . 5.290 5.292 5.292 5.292 0.002 1 0 "[ ]" 1
1923 1 26 THR HB 1 30 LEU QB . . 4.120 2.307 2.307 2.307 . 0 0 "[ ]" 1
1924 1 26 THR HB 1 30 LEU QD . . 3.940 2.368 2.368 2.368 . 0 0 "[ ]" 1
1925 1 26 THR MG 1 30 LEU QD . . 4.020 2.357 2.357 2.357 . 0 0 "[ ]" 1
1926 1 29 THR H 1 30 LEU QB . . 4.390 3.982 3.982 3.982 . 0 0 "[ ]" 1
1927 1 29 THR H 1 30 LEU QD . . 5.150 5.155 5.155 5.155 0.005 1 0 "[ ]" 1
1928 1 30 LEU H 1 30 LEU QB . . 2.870 2.273 2.273 2.273 . 0 0 "[ ]" 1
1929 1 30 LEU H 1 30 LEU QD . . 3.840 3.745 3.745 3.745 . 0 0 "[ ]" 1
1930 1 30 LEU HA 1 30 LEU QD . . 3.610 2.132 2.132 2.132 . 0 0 "[ ]" 1
1931 1 30 LEU QB 1 33 PHE H . . 5.340 4.843 4.843 4.843 . 0 0 "[ ]" 1
1932 1 30 LEU QB 1 34 ILE QG . . 4.480 4.477 4.477 4.477 . 0 0 "[ ]" 1
1933 1 30 LEU QD 1 33 PHE H . . 4.320 4.163 4.163 4.163 . 0 0 "[ ]" 1
1934 1 30 LEU QD 1 33 PHE HB2 . . 4.330 3.533 3.533 3.533 . 0 0 "[ ]" 1
1935 1 30 LEU QD 1 33 PHE HB3 . . 4.480 2.282 2.282 2.282 . 0 0 "[ ]" 1
1936 1 30 LEU QD 1 33 PHE QD . . 4.070 2.098 2.098 2.098 . 0 0 "[ ]" 1
1937 1 30 LEU QD 1 34 ILE H . . 3.970 3.261 3.261 3.261 . 0 0 "[ ]" 1
1938 1 30 LEU QD 1 35 GLU H . . 5.440 5.462 5.462 5.462 0.022 1 0 "[ ]" 1
1939 1 32 THR HA 1 36 ASP QB . . 5.070 4.956 4.956 4.956 . 0 0 "[ ]" 1
1940 1 32 THR MG 1 36 ASP QB . . 3.400 3.412 3.412 3.412 0.012 1 0 "[ ]" 1
1941 1 33 PHE HA 1 36 ASP QB . . 3.870 2.649 2.649 2.649 . 0 0 "[ ]" 1
1942 1 34 ILE MG 1 38 LYS QG . . 3.330 3.086 3.086 3.086 . 0 0 "[ ]" 1
1943 1 34 ILE MG 1 61 ASP QB . . 5.340 4.125 4.125 4.125 . 0 0 "[ ]" 1
1944 1 35 GLU H 1 36 ASP QB . . 4.560 4.299 4.299 4.299 . 0 0 "[ ]" 1
1945 1 35 GLU HA 1 38 LYS QG . . 3.540 2.229 2.229 2.229 . 0 0 "[ ]" 1
1946 1 36 ASP H 1 36 ASP QB . . 3.070 2.200 2.200 2.200 . 0 0 "[ ]" 1
1947 1 36 ASP HA 1 39 LYS QB . . 3.730 2.800 2.800 2.800 . 0 0 "[ ]" 1
1948 1 36 ASP HA 1 39 LYS QG . . 5.340 4.805 4.805 4.805 . 0 0 "[ ]" 1
1949 1 36 ASP QB 1 40 TYR H . . 5.270 4.941 4.941 4.941 . 0 0 "[ ]" 1
1950 1 36 ASP QB 1 40 TYR QD . . 4.460 3.445 3.445 3.445 . 0 0 "[ ]" 1
1951 1 36 ASP QB 1 40 TYR QE . . 4.230 3.920 3.920 3.920 . 0 0 "[ ]" 1
1952 1 37 LEU HA 1 40 TYR QB . . 4.900 2.584 2.584 2.584 . 0 0 "[ ]" 1
1953 1 38 LYS H 1 38 LYS QG . . 3.140 2.451 2.451 2.451 . 0 0 "[ ]" 1
1954 1 38 LYS HA 1 38 LYS QG . . 3.540 3.533 3.533 3.533 . 0 0 "[ ]" 1
1955 1 38 LYS QG 1 39 LYS H . . 4.410 2.907 2.907 2.907 . 0 0 "[ ]" 1
1956 1 39 LYS H 1 39 LYS QB . . 2.670 2.242 2.242 2.242 . 0 0 "[ ]" 1
1957 1 39 LYS HA 1 39 LYS QG . . 3.220 2.304 2.304 2.304 . 0 0 "[ ]" 1
1958 1 39 LYS QB 1 39 LYS QD . . 3.450 2.120 2.120 2.120 . 0 0 "[ ]" 1
1959 1 39 LYS QB 1 39 LYS QE . . 3.900 3.534 3.534 3.534 . 0 0 "[ ]" 1
1960 1 39 LYS QB 1 40 TYR H . . 3.250 2.475 2.475 2.475 . 0 0 "[ ]" 1
1961 1 39 LYS QB 1 40 TYR QE . . 4.060 4.055 4.055 4.055 . 0 0 "[ ]" 1
1962 1 39 LYS QB 1 41 GLY H . . 4.660 4.423 4.423 4.423 . 0 0 "[ ]" 1
1963 1 39 LYS QE 1 39 LYS QG . . 3.140 2.133 2.133 2.133 . 0 0 "[ ]" 1
1964 1 39 LYS QG 1 40 TYR QD . . 5.150 4.790 4.790 4.790 . 0 0 "[ ]" 1
1965 1 39 LYS QG 1 41 GLY H . . 5.340 5.091 5.091 5.091 . 0 0 "[ ]" 1
1966 1 40 TYR H 1 40 TYR QB . . 3.150 2.270 2.270 2.270 . 0 0 "[ ]" 1
1967 1 40 TYR QB 1 42 ALA H . . 3.810 3.083 3.083 3.083 . 0 0 "[ ]" 1
1968 1 40 TYR QB 1 42 ALA MB . . 4.640 2.991 2.991 2.991 . 0 0 "[ ]" 1
1969 1 41 GLY H 1 99 CYS QB . . 4.950 4.621 4.621 4.621 . 0 0 "[ ]" 1
1970 1 41 GLY QA 1 42 ALA MB . . 5.340 4.274 4.274 4.274 . 0 0 "[ ]" 1
1971 1 41 GLY QA 1 43 THR H . . 4.370 3.746 3.746 3.746 . 0 0 "[ ]" 1
1972 1 42 ALA H 1 99 CYS QB . . 4.330 3.241 3.241 3.241 . 0 0 "[ ]" 1
1973 1 42 ALA HA 1 99 CYS QB . . 3.530 2.305 2.305 2.305 . 0 0 "[ ]" 1
1974 1 44 THR MG 1 91 LYS QE . . 4.040 3.768 3.768 3.768 . 0 0 "[ ]" 1
1975 1 50 GLU H 1 50 GLU QG . . 4.660 4.370 4.370 4.370 . 0 0 "[ ]" 1
1976 1 50 GLU HA 1 50 GLU QG . . 3.620 2.465 2.465 2.465 . 0 0 "[ ]" 1
1977 1 50 GLU QG 1 51 VAL H . . 3.950 2.690 2.690 2.690 . 0 0 "[ ]" 1
1978 1 50 GLU QG 1 51 VAL MG1 . . 5.340 4.945 4.945 4.945 . 0 0 "[ ]" 1
1979 1 50 GLU QG 1 52 THR MG . . 3.510 3.382 3.382 3.382 . 0 0 "[ ]" 1
1980 1 51 VAL MG1 1 70 PHE QB . . 4.710 3.528 3.528 3.528 . 0 0 "[ ]" 1
1981 1 51 VAL MG2 1 67 ASP QB . . 4.650 2.513 2.513 2.513 . 0 0 "[ ]" 1
1982 1 51 VAL MG2 1 70 PHE QB . . 3.800 2.105 2.105 2.105 . 0 0 "[ ]" 1
1983 1 52 THR MG 1 53 TYR QB . . 5.340 5.190 5.190 5.190 . 0 0 "[ ]" 1
1984 1 54 ASP H 1 54 ASP QB . . 3.640 2.448 2.448 2.448 . 0 0 "[ ]" 1
1985 1 54 ASP QB 1 55 LYS H . . 4.140 3.823 3.823 3.823 . 0 0 "[ ]" 1
1986 1 56 THR HA 1 57 PRO QD . . 3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 1
1987 1 56 THR HB 1 57 PRO QD . . 3.870 3.620 3.620 3.620 . 0 0 "[ ]" 1
1988 1 56 THR MG 1 57 PRO QD . . 3.420 1.832 1.832 1.832 . 0 0 "[ ]" 1
1989 1 57 PRO QD 1 59 GLU H . . 4.920 4.141 4.141 4.141 . 0 0 "[ ]" 1
1990 1 58 LEU HA 1 61 ASP QB . . 3.730 2.648 2.648 2.648 . 0 0 "[ ]" 1
1991 1 61 ASP H 1 61 ASP QB . . 2.770 2.360 2.360 2.360 . 0 0 "[ ]" 1
1992 1 61 ASP H 1 62 GLY QA . . 4.720 4.396 4.396 4.396 . 0 0 "[ ]" 1
1993 1 61 ASP QB 1 62 GLY H . . 3.690 3.237 3.237 3.237 . 0 0 "[ ]" 1
1994 1 61 ASP QB 1 63 ILE H . . 4.280 3.795 3.795 3.795 . 0 0 "[ ]" 1
1995 1 61 ASP QB 1 63 ILE HG13 . . 5.340 3.454 3.454 3.454 . 0 0 "[ ]" 1
1996 1 61 ASP QB 1 63 ILE MD . . 3.600 3.477 3.477 3.477 . 0 0 "[ ]" 1
1997 1 64 THR HB 1 91 LYS QE . . 5.240 5.161 5.161 5.161 . 0 0 "[ ]" 1
1998 1 64 THR MG 1 91 LYS QE . . 4.420 3.931 3.931 3.931 . 0 0 "[ ]" 1
1999 1 67 ASP H 1 67 ASP QB . . 3.070 2.739 2.739 2.739 . 0 0 "[ ]" 1
2000 1 67 ASP HA 1 69 PRO QD . . 5.350 3.434 3.434 3.434 . 0 0 "[ ]" 1
2001 1 68 TRP H 1 69 PRO QD . . 4.170 2.218 2.218 2.218 . 0 0 "[ ]" 1
2002 1 68 TRP HA 1 69 PRO QD . . 3.540 3.531 3.531 3.531 . 0 0 "[ ]" 1
2003 1 68 TRP HE1 1 83 ASP QB . . 4.220 3.581 3.581 3.581 . 0 0 "[ ]" 1
2004 1 68 TRP HZ2 1 83 ASP QB . . 3.670 2.380 2.380 2.380 . 0 0 "[ ]" 1
2005 1 68 TRP HH2 1 83 ASP QB . . 4.620 3.583 3.583 3.583 . 0 0 "[ ]" 1
2006 1 69 PRO QD 1 70 PHE H . . 4.800 4.129 4.129 4.129 . 0 0 "[ ]" 1
2007 1 69 PRO QD 1 70 PHE QD . . 5.350 5.135 5.135 5.135 . 0 0 "[ ]" 1
2008 1 69 PRO QD 1 74 ALA MB . . 4.740 4.746 4.746 4.746 0.006 1 0 "[ ]" 1
2009 1 70 PHE QB 1 71 ASP H . . 4.190 3.512 3.512 3.512 . 0 0 "[ ]" 1
2010 1 70 PHE QB 1 71 ASP QB . . 4.680 3.942 3.942 3.942 . 0 0 "[ ]" 1
2011 1 70 PHE QB 1 74 ALA MB . . 5.120 4.350 4.350 4.350 . 0 0 "[ ]" 1
2012 1 73 GLY QA 1 74 ALA MB . . 4.310 4.175 4.175 4.175 . 0 0 "[ ]" 1
2013 1 80 VAL HA 1 83 ASP QB . . 3.630 2.402 2.402 2.402 . 0 0 "[ ]" 1
2014 1 80 VAL MG1 1 83 ASP QB . . 3.920 2.699 2.699 2.699 . 0 0 "[ ]" 1
2015 1 83 ASP QB 1 84 TRP H . . 3.230 2.687 2.687 2.687 . 0 0 "[ ]" 1
2016 1 84 TRP HE3 1 85 LEU QD . . 3.800 2.002 2.002 2.002 . 0 0 "[ ]" 1
2017 1 84 TRP HE1 1 117 LEU QB . . 3.750 2.912 2.912 2.912 . 0 0 "[ ]" 1
2018 1 85 LEU H 1 85 LEU QD . . 3.630 1.923 1.923 1.923 . 0 0 "[ ]" 1
2019 1 85 LEU HA 1 85 LEU QD . . 3.250 1.984 1.984 1.984 . 0 0 "[ ]" 1
2020 1 85 LEU QD 1 86 SER H . . 4.600 3.700 3.700 3.700 . 0 0 "[ ]" 1
2021 1 85 LEU QD 1 88 VAL HB . . 4.000 3.715 3.715 3.715 . 0 0 "[ ]" 1
2022 1 85 LEU QD 1 88 VAL MG2 . . 4.020 3.784 3.784 3.784 . 0 0 "[ ]" 1
2023 1 85 LEU QD 1 118 ALA HA . . 3.700 2.617 2.617 2.617 . 0 0 "[ ]" 1
2024 1 85 LEU QD 1 118 ALA MB . . 4.000 3.148 3.148 3.148 . 0 0 "[ ]" 1
2025 1 85 LEU QD 1 121 GLU HA . . 4.670 4.224 4.224 4.224 . 0 0 "[ ]" 1
2026 1 85 LEU QD 1 121 GLU HB2 . . 3.700 2.218 2.218 2.218 . 0 0 "[ ]" 1
2027 1 85 LEU QD 1 121 GLU HB3 . . 3.290 2.530 2.530 2.530 . 0 0 "[ ]" 1
2028 1 85 LEU QD 1 121 GLU HG2 . . 3.820 2.644 2.644 2.644 . 0 0 "[ ]" 1
2029 1 85 LEU QD 1 121 GLU HG3 . . 3.510 1.814 1.814 1.814 . 0 0 "[ ]" 1
2030 1 85 LEU QD 1 158 LEU HG . . 3.810 2.342 2.342 2.342 . 0 0 "[ ]" 1
2031 1 85 LEU QD 1 158 LEU MD1 . . 3.260 2.150 2.150 2.150 . 0 0 "[ ]" 1
2032 1 85 LEU QD 1 158 LEU MD2 . . 3.510 2.321 2.321 2.321 . 0 0 "[ ]" 1
2033 1 87 LEU MD1 1 91 LYS QE . . 3.490 2.598 2.598 2.598 . 0 0 "[ ]" 1
2034 1 90 ALA MB 1 94 GLU QG . . 4.560 4.276 4.276 4.276 . 0 0 "[ ]" 1
2035 1 91 LYS H 1 91 LYS QE . . 4.200 2.822 2.822 2.822 . 0 0 "[ ]" 1
2036 1 91 LYS HA 1 91 LYS QE . . 3.900 1.965 1.965 1.965 . 0 0 "[ ]" 1
2037 1 91 LYS HA 1 94 GLU QG . . 4.250 2.350 2.350 2.350 . 0 0 "[ ]" 1
2038 1 91 LYS QB 1 91 LYS QE . . 4.380 3.252 3.252 3.252 . 0 0 "[ ]" 1
2039 1 91 LYS QB 1 94 GLU QG . . 4.510 3.919 3.919 3.919 . 0 0 "[ ]" 1
2040 1 91 LYS QD 1 94 GLU QG . . 4.840 3.675 3.675 3.675 . 0 0 "[ ]" 1
2041 1 91 LYS QE 1 92 PHE H . . 5.270 4.479 4.479 4.479 . 0 0 "[ ]" 1
2042 1 91 LYS QE 1 93 CYS H . . 5.340 4.867 4.867 4.867 . 0 0 "[ ]" 1
2043 1 92 PHE H 1 94 GLU QG . . 5.340 4.077 4.077 4.077 . 0 0 "[ ]" 1
2044 1 93 CYS H 1 94 GLU QG . . 4.180 3.501 3.501 3.501 . 0 0 "[ ]" 1
2045 1 93 CYS QB 1 94 GLU QG . . 4.230 4.251 4.251 4.251 0.021 1 0 "[ ]" 1
2046 1 94 GLU H 1 94 GLU QG . . 3.300 2.240 2.240 2.240 . 0 0 "[ ]" 1
2047 1 94 GLU HA 1 94 GLU QG . . 3.490 3.496 3.496 3.496 0.006 1 0 "[ ]" 1
2048 1 94 GLU QG 1 95 ALA H . . 3.800 2.556 2.556 2.556 . 0 0 "[ ]" 1
2049 1 94 GLU QG 1 95 ALA MB . . 4.090 3.192 3.192 3.192 . 0 0 "[ ]" 1
2050 1 96 PRO HA 1 97 GLY QA . . 4.260 4.142 4.142 4.142 . 0 0 "[ ]" 1
2051 1 96 PRO QB 1 97 GLY H . . 3.770 3.803 3.803 3.803 0.033 1 0 "[ ]" 1
2052 1 96 PRO QB 1 98 SER H . . 5.180 5.177 5.177 5.177 . 0 0 "[ ]" 1
2053 1 99 CYS H 1 99 CYS QB . . 3.360 2.617 2.617 2.617 . 0 0 "[ ]" 1
2054 1 112 PRO QB 1 116 ALA MB . . 4.530 3.502 3.502 3.502 . 0 0 "[ ]" 1
2055 1 112 PRO QB 1 133 ILE MG . . 4.490 3.165 3.165 3.165 . 0 0 "[ ]" 1
2056 1 112 PRO QB 1 133 ILE MD . . 3.570 1.992 1.992 1.992 . 0 0 "[ ]" 1
2057 1 112 PRO QB 1 140 ALA HA . . 5.170 5.108 5.108 5.108 . 0 0 "[ ]" 1
2058 1 112 PRO QB 1 140 ALA MB . . 3.900 3.169 3.169 3.169 . 0 0 "[ ]" 1
2059 1 114 LEU HA 1 117 LEU QB . . 3.880 3.244 3.244 3.244 . 0 0 "[ ]" 1
2060 1 116 ALA MB 1 133 ILE QG . . 3.740 2.583 2.583 2.583 . 0 0 "[ ]" 1
2061 1 117 LEU H 1 117 LEU QB . . 3.370 2.001 2.001 2.001 . 0 0 "[ ]" 1
2062 1 117 LEU QB 1 117 LEU MD1 . . 3.160 2.233 2.233 2.233 . 0 0 "[ ]" 1
2063 1 117 LEU MD2 1 149 LEU QD . . 5.330 4.806 4.806 4.806 . 0 0 "[ ]" 1
2064 1 119 LEU HG 1 132 PHE QB . . 5.090 4.336 4.336 4.336 . 0 0 "[ ]" 1
2065 1 120 ILE MG 1 149 LEU QD . . 4.220 1.878 1.878 1.878 . 0 0 "[ ]" 1
2066 1 120 ILE MD 1 132 PHE QB . . 5.340 5.257 5.257 5.257 . 0 0 "[ ]" 1
2067 1 121 GLU HA 1 157 ARG QB . . 4.020 4.047 4.047 4.047 0.027 1 0 "[ ]" 1
2068 1 121 GLU HB2 1 157 ARG QB . . 4.750 4.228 4.228 4.228 . 0 0 "[ ]" 1
2069 1 121 GLU HB2 1 158 LEU QB . . 4.830 4.113 4.113 4.113 . 0 0 "[ ]" 1
2070 1 121 GLU HB3 1 157 ARG QG . . 4.550 4.225 4.225 4.225 . 0 0 "[ ]" 1
2071 1 122 SER HA 1 158 LEU QB . . 3.910 2.626 2.626 2.626 . 0 0 "[ ]" 1
2072 1 122 SER QB 1 158 LEU QB . . 4.490 3.760 3.760 3.760 . 0 0 "[ ]" 1
2073 1 124 MET HA 1 125 LYS QB . . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 1
2074 1 125 LYS H 1 125 LYS QB . . 2.950 2.403 2.403 2.403 . 0 0 "[ ]" 1
2075 1 125 LYS QB 1 125 LYS QE . . 3.870 3.637 3.637 3.637 . 0 0 "[ ]" 1
2076 1 125 LYS QB 1 126 TYR H . . 3.710 3.158 3.158 3.158 . 0 0 "[ ]" 1
2077 1 125 LYS QB 1 127 GLU H . . 4.320 3.027 3.027 3.027 . 0 0 "[ ]" 1
2078 1 125 LYS QB 1 128 ASP QB . . 3.730 2.934 2.934 2.934 . 0 0 "[ ]" 1
2079 1 126 TYR QD 1 127 GLU QG . . 3.710 3.469 3.469 3.469 . 0 0 "[ ]" 1
2080 1 126 TYR QD 1 130 ILE QG . . 4.050 3.082 3.082 3.082 . 0 0 "[ ]" 1
2081 1 126 TYR QD 1 146 LEU QB . . 4.140 2.617 2.617 2.617 . 0 0 "[ ]" 1
2082 1 126 TYR QD 1 149 LEU QD . . 4.060 1.973 1.973 1.973 . 0 0 "[ ]" 1
2083 1 126 TYR QE 1 127 GLU QG . . 4.360 2.886 2.886 2.886 . 0 0 "[ ]" 1
2084 1 127 GLU H 1 127 GLU QG . . 3.290 2.361 2.361 2.361 . 0 0 "[ ]" 1
2085 1 127 GLU HA 1 127 GLU QG . . 3.550 2.389 2.389 2.389 . 0 0 "[ ]" 1
2086 1 127 GLU HA 1 130 ILE QG . . 4.380 2.355 2.355 2.355 . 0 0 "[ ]" 1
2087 1 128 ASP HA 1 131 GLN QG . . 4.760 4.146 4.146 4.146 . 0 0 "[ ]" 1
2088 1 129 ALA HA 1 132 PHE QB . . 3.540 2.431 2.431 2.431 . 0 0 "[ ]" 1
2089 1 129 ALA MB 1 130 ILE QG . . 3.960 3.993 3.993 3.993 0.033 1 0 "[ ]" 1
2090 1 130 ILE H 1 130 ILE QG . . 3.160 2.185 2.185 2.185 . 0 0 "[ ]" 1
2091 1 130 ILE H 1 133 ILE QG . . 4.700 4.232 4.232 4.232 . 0 0 "[ ]" 1
2092 1 130 ILE HA 1 130 ILE QG . . 3.720 3.229 3.229 3.229 . 0 0 "[ ]" 1
2093 1 130 ILE HA 1 133 ILE QG . . 3.990 2.465 2.465 2.465 . 0 0 "[ ]" 1
2094 1 130 ILE HB 1 131 GLN QE . . 4.520 3.594 3.594 3.594 . 0 0 "[ ]" 1
2095 1 130 ILE QG 1 130 ILE MG . . 3.180 2.175 2.175 2.175 . 0 0 "[ ]" 1
2096 1 130 ILE MG 1 131 GLN QG . . 4.440 3.446 3.446 3.446 . 0 0 "[ ]" 1
2097 1 130 ILE MG 1 131 GLN QE . . 4.830 4.740 4.740 4.740 . 0 0 "[ ]" 1
2098 1 130 ILE QG 1 131 GLN H . . 4.300 3.742 3.742 3.742 . 0 0 "[ ]" 1
2099 1 130 ILE QG 1 146 LEU MD1 . . 4.150 3.745 3.745 3.745 . 0 0 "[ ]" 1
2100 1 130 ILE QG 1 146 LEU MD2 . . 4.380 4.398 4.398 4.398 0.018 1 0 "[ ]" 1
2101 1 130 ILE MD 1 146 LEU QB . . 4.210 2.753 2.753 2.753 . 0 0 "[ ]" 1
2102 1 131 GLN H 1 131 GLN QG . . 3.280 2.190 2.190 2.190 . 0 0 "[ ]" 1
2103 1 131 GLN H 1 131 GLN QE . . 3.720 3.137 3.137 3.137 . 0 0 "[ ]" 1
2104 1 131 GLN H 1 132 PHE QB . . 5.050 4.324 4.324 4.324 . 0 0 "[ ]" 1
2105 1 131 GLN HA 1 131 GLN QG . . 3.380 2.477 2.477 2.477 . 0 0 "[ ]" 1
2106 1 131 GLN QB 1 131 GLN QE . . 3.780 3.017 3.017 3.017 . 0 0 "[ ]" 1
2107 1 131 GLN QB 1 132 PHE QB . . 5.340 4.025 4.025 4.025 . 0 0 "[ ]" 1
2108 1 131 GLN QG 1 132 PHE H . . 4.930 4.347 4.347 4.347 . 0 0 "[ ]" 1
2109 1 132 PHE H 1 132 PHE QB . . 2.960 2.189 2.189 2.189 . 0 0 "[ ]" 1
2110 1 132 PHE QB 1 133 ILE H . . 3.270 2.366 2.366 2.366 . 0 0 "[ ]" 1
2111 1 132 PHE QB 1 135 GLN HB3 . . 5.340 5.347 5.347 5.347 0.007 1 0 "[ ]" 1
2112 1 133 ILE H 1 133 ILE QG . . 3.550 2.142 2.142 2.142 . 0 0 "[ ]" 1
2113 1 133 ILE QG 1 134 ARG H . . 3.500 1.919 1.919 1.919 . 0 0 "[ ]" 1
2114 1 141 ILE HA 1 145 GLN QB . . 5.340 5.267 5.267 5.267 . 0 0 "[ ]" 1
2115 1 142 ASN H 1 145 GLN QB . . 3.710 3.187 3.187 3.187 . 0 0 "[ ]" 1
2116 1 142 ASN H 1 145 GLN QG . . 4.970 4.726 4.726 4.726 . 0 0 "[ ]" 1
2117 1 142 ASN HA 1 145 GLN QB . . 4.630 4.293 4.293 4.293 . 0 0 "[ ]" 1
2118 1 145 GLN QB 1 146 LEU H . . 4.150 2.626 2.626 2.626 . 0 0 "[ ]" 1
2119 1 145 GLN QB 1 146 LEU MD1 . . 4.100 3.497 3.497 3.497 . 0 0 "[ ]" 1
2120 1 145 GLN QG 1 146 LEU H . . 4.670 3.904 3.904 3.904 . 0 0 "[ ]" 1
2121 1 145 GLN QG 1 146 LEU HA . . 3.980 4.039 4.039 4.039 0.059 1 0 "[ ]" 1
2122 1 145 GLN QG 1 146 LEU MD1 . . 3.960 2.821 2.821 2.821 . 0 0 "[ ]" 1
2123 1 146 LEU H 1 146 LEU QB . . 3.010 2.496 2.496 2.496 . 0 0 "[ ]" 1
2124 1 146 LEU QB 1 146 LEU MD2 . . 3.190 2.226 2.226 2.226 . 0 0 "[ ]" 1
2125 1 146 LEU QB 1 147 THR H . . 3.620 2.755 2.755 2.755 . 0 0 "[ ]" 1
2126 1 146 LEU QB 1 147 THR HA . . 4.090 4.042 4.042 4.042 . 0 0 "[ ]" 1
2127 1 147 THR HB 1 151 LYS QD . . 4.490 4.358 4.358 4.358 . 0 0 "[ ]" 1
2128 1 147 THR HB 1 151 LYS QE . . 4.720 4.594 4.594 4.594 . 0 0 "[ ]" 1
2129 1 148 TYR HA 1 151 LYS QD . . 4.620 3.787 3.787 3.787 . 0 0 "[ ]" 1
2130 1 148 TYR QD 1 149 LEU QD . . 4.270 4.281 4.281 4.281 0.011 1 0 "[ ]" 1
2131 1 148 TYR QE 1 149 LEU QD . . 3.920 3.379 3.379 3.379 . 0 0 "[ ]" 1
2132 1 149 LEU HA 1 149 LEU QD . . 3.240 2.334 2.334 2.334 . 0 0 "[ ]" 1
2133 1 149 LEU QD 1 152 TYR HB2 . . 5.440 5.187 5.187 5.187 . 0 0 "[ ]" 1
2134 1 149 LEU QD 1 152 TYR HB3 . . 4.450 3.739 3.739 3.739 . 0 0 "[ ]" 1
2135 1 151 LYS H 1 151 LYS QE . . 4.890 4.851 4.851 4.851 . 0 0 "[ ]" 1
2136 1 151 LYS HA 1 151 LYS QD . . 3.680 3.401 3.401 3.401 . 0 0 "[ ]" 1
2137 1 151 LYS HB2 1 151 LYS QD . . 2.550 2.457 2.457 2.457 . 0 0 "[ ]" 1
2138 1 152 TYR HA 1 153 ARG QB . . 4.350 4.048 4.048 4.048 . 0 0 "[ ]" 1
2139 1 153 ARG H 1 153 ARG QB . . 3.020 2.259 2.259 2.259 . 0 0 "[ ]" 1
2140 1 153 ARG QB 1 153 ARG QD . . 3.120 2.126 2.126 2.126 . 0 0 "[ ]" 1
2141 1 153 ARG QB 1 154 PRO QD . . 4.220 3.582 3.582 3.582 . 0 0 "[ ]" 1
2142 1 153 ARG QB 1 155 LYS HB3 . . 4.880 3.944 3.944 3.944 . 0 0 "[ ]" 1
2143 1 153 ARG QD 1 156 GLN QB . . 4.530 4.073 4.073 4.073 . 0 0 "[ ]" 1
2144 1 155 LYS HA 1 155 LYS QG . . 3.210 2.252 2.252 2.252 . 0 0 "[ ]" 1
2145 1 155 LYS HB2 1 155 LYS QG . . 2.590 2.135 2.135 2.135 . 0 0 "[ ]" 1
2146 1 155 LYS HB3 1 156 GLN QB . . 4.520 3.819 3.819 3.819 . 0 0 "[ ]" 1
2147 1 155 LYS QE 1 155 LYS QG . . 3.210 2.169 2.169 2.169 . 0 0 "[ ]" 1
2148 1 155 LYS QG 1 156 GLN HA . . 4.620 4.001 4.001 4.001 . 0 0 "[ ]" 1
2149 1 155 LYS QG 1 156 GLN QB . . 5.060 4.277 4.277 4.277 . 0 0 "[ ]" 1
2150 1 155 LYS QD 1 156 GLN QB . . 3.850 2.539 2.539 2.539 . 0 0 "[ ]" 1
2151 1 156 GLN H 1 156 GLN QB . . 3.440 3.139 3.139 3.139 . 0 0 "[ ]" 1
2152 1 157 ARG HA 1 157 ARG QG . . 3.430 2.245 2.245 2.245 . 0 0 "[ ]" 1
2153 1 157 ARG QB 1 157 ARG QD . . 3.380 2.370 2.370 2.370 . 0 0 "[ ]" 1
2154 1 157 ARG QB 1 158 LEU H . . 4.390 2.103 2.103 2.103 . 0 0 "[ ]" 1
2155 1 157 ARG QB 1 158 LEU MD2 . . 3.890 3.143 3.143 3.143 . 0 0 "[ ]" 1
2156 1 161 LYS QB 1 162 ASP H . . 3.380 2.549 2.549 2.549 . 0 0 "[ ]" 1
2157 1 161 LYS QB 1 162 ASP HA . . 4.730 4.322 4.322 4.322 . 0 0 "[ ]" 1
2158 1 162 ASP H 1 162 ASP QB . . 3.180 2.480 2.480 2.480 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 0.627
_Distance_constraint_stats_list.Viol_max 0.128
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0273
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 VAL 0.000 0.000 . 0 "[ ]"
1 12 VAL 0.017 0.017 1 0 "[ ]"
1 18 ARG 0.079 0.062 1 0 "[ ]"
1 19 PHE 0.017 0.017 1 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 ILE 0.000 0.000 . 0 "[ ]"
1 33 PHE 0.021 0.014 1 0 "[ ]"
1 36 ASP 0.038 0.028 1 0 "[ ]"
1 37 LEU 0.021 0.014 1 0 "[ ]"
1 40 TYR 0.038 0.028 1 0 "[ ]"
1 44 THR 0.000 0.000 . 0 "[ ]"
1 45 VAL 0.000 0.000 . 0 "[ ]"
1 46 VAL 0.000 0.000 . 0 "[ ]"
1 47 ARG 0.092 0.058 1 0 "[ ]"
1 66 VAL 0.000 0.000 . 0 "[ ]"
1 68 TRP 0.092 0.058 1 0 "[ ]"
1 80 VAL 0.000 0.000 . 0 "[ ]"
1 81 VAL 0.041 0.025 1 0 "[ ]"
1 82 GLU 0.057 0.043 1 0 "[ ]"
1 83 ASP 0.006 0.006 1 0 "[ ]"
1 84 TRP 0.000 0.000 . 0 "[ ]"
1 85 LEU 0.041 0.025 1 0 "[ ]"
1 86 SER 0.057 0.043 1 0 "[ ]"
1 87 LEU 0.006 0.006 1 0 "[ ]"
1 88 VAL 0.000 0.000 . 0 "[ ]"
1 89 LYS 0.000 0.000 . 0 "[ ]"
1 100 VAL 0.079 0.062 1 0 "[ ]"
1 101 ALA 0.000 0.000 . 0 "[ ]"
1 102 VAL 0.000 0.000 . 0 "[ ]"
1 112 PRO 0.008 0.008 1 0 "[ ]"
1 114 LEU 0.019 0.019 1 0 "[ ]"
1 115 VAL 0.128 0.128 1 0 "[ ]"
1 116 ALA 0.008 0.008 1 0 "[ ]"
1 117 LEU 0.101 0.049 1 0 "[ ]"
1 118 ALA 0.141 0.128 1 0 "[ ]"
1 121 GLU 0.082 0.049 1 0 "[ ]"
1 122 SER 0.013 0.013 1 0 "[ ]"
1 125 LYS 0.026 0.015 1 0 "[ ]"
1 126 TYR 0.001 0.001 1 0 "[ ]"
1 129 ALA 0.026 0.015 1 0 "[ ]"
1 130 ILE 0.001 0.001 1 0 "[ ]"
1 133 ILE 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 VAL H 1 19 PHE O . . 2.000 1.783 1.783 1.783 0.017 1 0 "[ ]" 2
2 1 12 VAL N 1 19 PHE O . 2.700 3.000 2.793 2.793 2.793 . 0 0 "[ ]" 2
3 1 12 VAL O 1 19 PHE H . . 2.000 1.967 1.967 1.967 . 0 0 "[ ]" 2
4 1 12 VAL O 1 19 PHE N . 2.700 3.000 2.950 2.950 2.950 . 0 0 "[ ]" 2
5 1 20 LEU H 1 100 VAL O . . 2.000 1.868 1.868 1.868 . 0 0 "[ ]" 2
6 1 20 LEU N 1 100 VAL O . 2.700 3.000 2.782 2.782 2.782 . 0 0 "[ ]" 2
7 1 10 VAL O 1 21 ILE H . . 2.000 1.872 1.872 1.872 . 0 0 "[ ]" 2
8 1 10 VAL O 1 21 ILE N . 2.700 3.000 2.843 2.843 2.843 . 0 0 "[ ]" 2
9 1 33 PHE O 1 37 LEU H . . 2.000 2.006 2.006 2.006 0.006 1 0 "[ ]" 2
10 1 33 PHE O 1 37 LEU N . 2.700 3.000 3.014 3.014 3.014 0.014 1 0 "[ ]" 2
11 1 36 ASP O 1 40 TYR H . . 2.000 2.028 2.028 2.028 0.028 1 0 "[ ]" 2
12 1 36 ASP O 1 40 TYR N . 2.700 3.000 3.011 3.011 3.011 0.011 1 0 "[ ]" 2
13 1 46 VAL H 1 101 ALA O . . 2.000 1.952 1.952 1.952 . 0 0 "[ ]" 2
14 1 46 VAL N 1 101 ALA O . 2.700 3.000 2.945 2.945 2.945 . 0 0 "[ ]" 2
15 1 47 ARG H 1 66 VAL O . . 2.000 1.832 1.832 1.832 . 0 0 "[ ]" 2
16 1 47 ARG N 1 66 VAL O . 2.700 3.000 2.835 2.835 2.835 . 0 0 "[ ]" 2
17 1 45 VAL O 1 66 VAL H . . 2.000 1.967 1.967 1.967 . 0 0 "[ ]" 2
18 1 45 VAL O 1 66 VAL N . 2.700 3.000 2.920 2.920 2.920 . 0 0 "[ ]" 2
19 1 47 ARG O 1 68 TRP H . . 2.000 2.058 2.058 2.058 0.058 1 0 "[ ]" 2
20 1 47 ARG O 1 68 TRP N . 2.700 3.000 3.033 3.033 3.033 0.033 1 0 "[ ]" 2
21 1 80 VAL O 1 84 TRP H . . 2.000 1.888 1.888 1.888 . 0 0 "[ ]" 2
22 1 80 VAL O 1 84 TRP N . 2.700 3.000 2.772 2.772 2.772 . 0 0 "[ ]" 2
23 1 81 VAL O 1 85 LEU H . . 2.000 2.025 2.025 2.025 0.025 1 0 "[ ]" 2
24 1 81 VAL O 1 85 LEU N . 2.700 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 2
25 1 82 GLU O 1 86 SER H . . 2.000 2.043 2.043 2.043 0.043 1 0 "[ ]" 2
26 1 82 GLU O 1 86 SER N . 2.700 3.000 3.015 3.015 3.015 0.015 1 0 "[ ]" 2
27 1 83 ASP O 1 87 LEU H . . 2.000 2.006 2.006 2.006 0.006 1 0 "[ ]" 2
28 1 83 ASP O 1 87 LEU N . 2.700 3.000 2.877 2.877 2.877 . 0 0 "[ ]" 2
29 1 84 TRP O 1 88 VAL H . . 2.000 1.896 1.896 1.896 . 0 0 "[ ]" 2
30 1 84 TRP O 1 88 VAL N . 2.700 3.000 2.901 2.901 2.901 . 0 0 "[ ]" 2
31 1 85 LEU O 1 89 LYS H . . 2.000 1.945 1.945 1.945 . 0 0 "[ ]" 2
32 1 85 LEU O 1 89 LYS N . 2.700 3.000 2.888 2.888 2.888 . 0 0 "[ ]" 2
33 1 18 ARG O 1 100 VAL H . . 2.000 2.062 2.062 2.062 0.062 1 0 "[ ]" 2
34 1 18 ARG O 1 100 VAL N . 2.700 3.000 3.017 3.017 3.017 0.017 1 0 "[ ]" 2
35 1 44 THR O 1 101 ALA H . . 2.000 1.921 1.921 1.921 . 0 0 "[ ]" 2
36 1 44 THR O 1 101 ALA N . 2.700 3.000 2.899 2.899 2.899 . 0 0 "[ ]" 2
37 1 20 LEU O 1 102 VAL H . . 2.000 1.866 1.866 1.866 . 0 0 "[ ]" 2
38 1 20 LEU O 1 102 VAL N . 2.700 3.000 2.848 2.848 2.848 . 0 0 "[ ]" 2
39 1 112 PRO O 1 116 ALA H . . 2.000 2.008 2.008 2.008 0.008 1 0 "[ ]" 2
40 1 112 PRO O 1 116 ALA N . 2.700 3.000 2.989 2.989 2.989 . 0 0 "[ ]" 2
41 1 114 LEU O 1 117 LEU H . . 2.000 2.019 2.019 2.019 0.019 1 0 "[ ]" 2
42 1 114 LEU O 1 117 LEU N . 2.700 3.000 2.918 2.918 2.918 . 0 0 "[ ]" 2
43 1 115 VAL O 1 118 ALA H . . 2.000 2.128 2.128 2.128 0.128 1 0 "[ ]" 2
44 1 115 VAL O 1 118 ALA N . 2.700 3.000 2.924 2.924 2.924 . 0 0 "[ ]" 2
45 1 117 LEU O 1 121 GLU H . . 2.000 2.034 2.034 2.034 0.034 1 0 "[ ]" 2
46 1 117 LEU O 1 121 GLU N . 2.700 3.000 3.049 3.049 3.049 0.049 1 0 "[ ]" 2
47 1 118 ALA O 1 122 SER H . . 2.000 2.013 2.013 2.013 0.013 1 0 "[ ]" 2
48 1 118 ALA O 1 122 SER N . 2.700 3.000 2.912 2.912 2.912 . 0 0 "[ ]" 2
49 1 125 LYS O 1 129 ALA H . . 2.000 2.011 2.011 2.011 0.011 1 0 "[ ]" 2
50 1 125 LYS O 1 129 ALA N . 2.700 3.000 3.015 3.015 3.015 0.015 1 0 "[ ]" 2
51 1 126 TYR O 1 130 ILE H . . 2.000 2.001 2.001 2.001 0.001 1 0 "[ ]" 2
52 1 126 TYR O 1 130 ILE N . 2.700 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 2
53 1 129 ALA O 1 133 ILE H . . 2.000 1.961 1.961 1.961 . 0 0 "[ ]" 2
54 1 129 ALA O 1 133 ILE N . 2.700 3.000 2.966 2.966 2.966 . 0 0 "[ ]" 2
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