NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
391970 |
1pn5   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pn5
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 980
_Distance_constraint_stats_list.Viol_count 2080
_Distance_constraint_stats_list.Viol_total 3645.903
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0415
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0876
_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 59 MET 5.205 0.368 6 0 "[ . 1 . 2]"
1 60 ALA 1.101 0.093 7 0 "[ . 1 . 2]"
1 61 GLY 1.199 0.091 14 0 "[ . 1 . 2]"
1 62 GLY 1.155 0.138 2 0 "[ . 1 . 2]"
1 63 ALA 4.417 0.117 15 0 "[ . 1 . 2]"
1 64 TRP 6.542 0.110 18 0 "[ . 1 . 2]"
1 65 GLY 0.176 0.073 12 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.812 0.086 14 0 "[ . 1 . 2]"
1 68 ALA 3.628 0.210 16 0 "[ . 1 . 2]"
1 69 CYS 1.333 0.089 10 0 "[ . 1 . 2]"
1 70 TYR 3.007 0.246 10 0 "[ . 1 . 2]"
1 71 LEU 2.773 0.117 5 0 "[ . 1 . 2]"
1 72 GLU 3.978 0.525 13 2 "[- . 1 + . 2]"
1 73 PHE 2.753 0.102 6 0 "[ . 1 . 2]"
1 74 LEU 6.171 0.768 15 6 "[ .* *** -+ 2]"
1 75 LYS 1.825 0.107 19 0 "[ . 1 . 2]"
1 76 LYS 4.705 0.195 1 0 "[ . 1 . 2]"
1 77 GLU 2.359 0.529 4 1 "[ +. 1 . 2]"
1 78 GLU 5.912 0.118 6 0 "[ . 1 . 2]"
1 79 LEU 3.038 0.099 17 0 "[ . 1 . 2]"
1 80 LYS 2.875 0.129 16 0 "[ . 1 . 2]"
1 81 GLU 3.151 0.114 3 0 "[ . 1 . 2]"
1 82 PHE 4.080 0.405 15 0 "[ . 1 . 2]"
1 83 GLN 1.357 0.149 17 0 "[ . 1 . 2]"
1 84 LEU 2.904 0.095 3 0 "[ . 1 . 2]"
1 85 LEU 2.490 0.114 3 0 "[ . 1 . 2]"
1 86 LEU 0.504 0.067 6 0 "[ . 1 . 2]"
1 87 ALA 0.311 0.079 8 0 "[ . 1 . 2]"
1 88 ASN 0.249 0.079 8 0 "[ . 1 . 2]"
1 89 LYS 7.179 0.769 6 2 "[ .+ 1 . - 2]"
1 90 ALA 1.818 0.280 8 0 "[ . 1 . 2]"
1 91 HIS 2.796 0.152 20 0 "[ . 1 . 2]"
1 92 SER 1.241 0.099 10 0 "[ . 1 . 2]"
1 93 ARG 0.376 0.091 16 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 SER 1.154 0.121 3 0 "[ . 1 . 2]"
1 97 GLY 1.551 0.200 11 0 "[ . 1 . 2]"
1 98 GLU 10.120 0.814 3 3 "[ + . 1- . *2]"
1 99 THR 5.844 0.814 3 3 "[ + . 1- . *2]"
1 100 PRO 1.920 0.088 2 0 "[ . 1 . 2]"
1 101 ALA 0.925 0.087 4 0 "[ . 1 . 2]"
1 102 GLN 11.768 0.950 20 7 "[ -** *1 . * *+]"
1 103 PRO 5.246 0.680 6 1 "[ .+ 1 . 2]"
1 104 GLU 3.396 0.088 14 0 "[ . 1 . 2]"
1 105 LYS 2.773 0.106 11 0 "[ . 1 . 2]"
1 106 THR 1.675 0.096 18 0 "[ . 1 . 2]"
1 107 SER 4.941 0.414 17 0 "[ . 1 . 2]"
1 108 GLY 1.119 0.311 17 0 "[ . 1 . 2]"
1 109 MET 6.556 0.585 14 3 "[ . 1 *+.- 2]"
1 110 GLU 5.164 0.397 17 0 "[ . 1 . 2]"
1 111 VAL 3.181 0.099 5 0 "[ . 1 . 2]"
1 112 ALA 6.470 0.118 1 0 "[ . 1 . 2]"
1 113 SER 0.573 0.075 10 0 "[ . 1 . 2]"
1 114 TYR 3.978 0.097 16 0 "[ . 1 . 2]"
1 115 LEU 2.963 0.097 16 0 "[ . 1 . 2]"
1 116 VAL 8.138 0.301 9 0 "[ . 1 . 2]"
1 117 ALA 2.291 0.109 16 0 "[ . 1 . 2]"
1 118 GLN 1.762 0.080 18 0 "[ . 1 . 2]"
1 119 TYR 7.794 0.144 9 0 "[ . 1 . 2]"
1 120 GLY 1.846 0.091 19 0 "[ . 1 . 2]"
1 121 GLU 6.578 0.301 9 0 "[ . 1 . 2]"
1 122 GLN 7.508 0.916 12 2 "[ . 1 + -. 2]"
1 123 ARG 12.671 0.821 5 4 "[ + *- . * 2]"
1 124 ALA 6.675 0.916 12 2 "[ . 1 + -. 2]"
1 125 TRP 5.070 0.111 17 0 "[ . 1 . 2]"
1 126 ASP 4.643 0.236 3 0 "[ . 1 . 2]"
1 127 LEU 8.145 0.821 5 4 "[ + *- . * 2]"
1 128 ALA 1.605 0.110 11 0 "[ . 1 . 2]"
1 129 LEU 3.030 0.110 11 0 "[ . 1 . 2]"
1 130 HIS 2.395 0.096 17 0 "[ . 1 . 2]"
1 131 THR 1.152 0.094 15 0 "[ . 1 . 2]"
1 132 TRP 2.194 0.096 17 0 "[ . 1 . 2]"
1 133 GLU 0.634 0.433 1 0 "[ . 1 . 2]"
1 134 GLN 0.351 0.110 10 0 "[ . 1 . 2]"
1 135 MET 13.882 0.768 15 6 "[ .* *** -+ 2]"
1 136 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 LEU 1.454 0.101 4 0 "[ . 1 . 2]"
1 138 ARG 4.861 0.132 18 0 "[ . 1 . 2]"
1 139 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 LEU 3.609 0.332 10 0 "[ . 1 . 2]"
1 141 CYS 0.689 0.262 8 0 "[ . 1 . 2]"
1 142 ALA 2.785 0.132 18 0 "[ . 1 . 2]"
1 143 GLN 4.447 0.861 4 3 "[ +. - * . 2]"
1 144 ALA 4.232 0.861 4 3 "[ +. - * . 2]"
1 145 GLN 4.262 0.265 13 0 "[ . 1 . 2]"
1 146 GLU 4.820 0.106 13 0 "[ . 1 . 2]"
1 147 GLY 1.589 0.105 20 0 "[ . 1 . 2]"
1 148 ALA 2.051 0.102 3 0 "[ . 1 . 2]"
1 149 GLY 1.068 0.093 16 0 "[ . 1 . 2]"
1 150 HIS 1.375 0.105 10 0 "[ . 1 . 2]"
1 151 SER 0.485 0.105 10 0 "[ . 1 . 2]"
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 59 MET H 1 59 MET QB . . 3.620 2.895 1.997 3.433 . 0 0 "[ . 1 . 2]" 1
2 1 59 MET H 1 59 MET HG2 . . 4.150 3.310 2.477 4.518 0.368 6 0 "[ . 1 . 2]" 1
3 1 59 MET H 1 59 MET HG3 . . 4.470 3.095 1.730 4.479 0.009 20 0 "[ . 1 . 2]" 1
4 1 59 MET H 1 60 ALA H . . 4.310 4.059 1.750 4.403 0.093 7 0 "[ . 1 . 2]" 1
5 1 59 MET HA 1 59 MET ME . . 4.050 3.969 2.196 4.158 0.108 16 0 "[ . 1 . 2]" 1
6 1 59 MET HA 1 59 MET HG2 . . 3.970 3.591 2.341 4.199 0.229 3 0 "[ . 1 . 2]" 1
7 1 59 MET HA 1 59 MET HG3 . . 4.130 3.585 2.807 3.994 . 0 0 "[ . 1 . 2]" 1
8 1 59 MET HA 1 60 ALA H . . 3.000 2.578 2.117 3.080 0.080 15 0 "[ . 1 . 2]" 1
9 1 59 MET HA 1 60 ALA MB . . 4.950 4.014 3.515 4.343 . 0 0 "[ . 1 . 2]" 1
10 1 59 MET QB 1 60 ALA H . . 3.970 2.361 1.742 3.746 . 0 0 "[ . 1 . 2]" 1
11 1 59 MET QB 1 60 ALA MB . . 4.040 3.856 3.472 4.011 . 0 0 "[ . 1 . 2]" 1
12 1 59 MET ME 1 59 MET HG2 . . 3.850 2.993 2.343 3.469 . 0 0 "[ . 1 . 2]" 1
13 1 59 MET ME 1 59 MET HG3 . . 3.430 2.846 2.183 3.464 0.034 13 0 "[ . 1 . 2]" 1
14 1 59 MET ME 1 64 TRP HH2 . . 4.040 3.773 2.803 4.138 0.098 19 0 "[ . 1 . 2]" 1
15 1 59 MET ME 1 64 TRP HZ2 . . 4.980 4.526 2.290 5.078 0.098 11 0 "[ . 1 . 2]" 1
16 1 60 ALA H 1 60 ALA MB . . 3.170 2.483 2.142 3.192 0.022 2 0 "[ . 1 . 2]" 1
17 1 60 ALA HA 1 61 GLY H . . 3.030 2.385 2.148 3.085 0.055 16 0 "[ . 1 . 2]" 1
18 1 60 ALA HA 1 61 GLY QA . . 4.380 3.981 3.857 4.162 . 0 0 "[ . 1 . 2]" 1
19 1 60 ALA MB 1 61 GLY H . . 3.900 3.053 2.037 3.711 . 0 0 "[ . 1 . 2]" 1
20 1 61 GLY H 1 62 GLY H . . 4.680 3.147 1.876 4.469 . 0 0 "[ . 1 . 2]" 1
21 1 61 GLY H 1 63 ALA H . . 4.520 4.437 3.597 4.611 0.091 14 0 "[ . 1 . 2]" 1
22 1 61 GLY QA 1 64 TRP HD1 . . 4.790 4.097 2.301 4.753 . 0 0 "[ . 1 . 2]" 1
23 1 61 GLY QA 1 64 TRP HE3 . . 5.330 4.199 2.750 5.246 . 0 0 "[ . 1 . 2]" 1
24 1 61 GLY QA 1 64 TRP HZ2 . . 4.600 3.378 2.542 4.463 . 0 0 "[ . 1 . 2]" 1
25 1 62 GLY H 1 62 GLY QA . . 2.770 2.272 2.139 2.516 . 0 0 "[ . 1 . 2]" 1
26 1 62 GLY H 1 63 ALA H . . 4.530 2.851 1.798 4.063 . 0 0 "[ . 1 . 2]" 1
27 1 62 GLY H 1 63 ALA MB . . 5.030 4.669 3.911 5.142 0.112 8 0 "[ . 1 . 2]" 1
28 1 62 GLY QA 1 63 ALA H . . 3.320 2.602 2.195 2.900 . 0 0 "[ . 1 . 2]" 1
29 1 62 GLY QA 1 63 ALA MB . . 4.290 3.641 3.205 3.986 . 0 0 "[ . 1 . 2]" 1
30 1 62 GLY QA 1 64 TRP H . . 5.110 4.298 3.666 4.888 . 0 0 "[ . 1 . 2]" 1
31 1 62 GLY QA 1 116 VAL MG1 . . 4.830 4.319 2.895 4.968 0.138 2 0 "[ . 1 . 2]" 1
32 1 63 ALA H 1 63 ALA MB . . 3.350 2.722 2.098 3.154 . 0 0 "[ . 1 . 2]" 1
33 1 63 ALA H 1 64 TRP H . . 4.750 2.611 1.748 3.918 . 0 0 "[ . 1 . 2]" 1
34 1 63 ALA HA 1 64 TRP HA . . 4.340 4.399 4.301 4.430 0.090 20 0 "[ . 1 . 2]" 1
35 1 63 ALA MB 1 64 TRP H . . 4.320 3.603 2.597 3.810 . 0 0 "[ . 1 . 2]" 1
36 1 63 ALA MB 1 64 TRP HD1 . . 4.880 3.592 2.393 4.415 . 0 0 "[ . 1 . 2]" 1
37 1 63 ALA MB 1 116 VAL HB . . 3.730 3.694 2.151 3.847 0.117 15 0 "[ . 1 . 2]" 1
38 1 63 ALA MB 1 121 GLU H . . 5.100 4.308 3.684 5.192 0.092 2 0 "[ . 1 . 2]" 1
39 1 63 ALA MB 1 121 GLU QB . . 4.510 3.306 2.039 4.470 . 0 0 "[ . 1 . 2]" 1
40 1 63 ALA MB 1 121 GLU HG2 . . 4.840 2.837 2.121 4.791 . 0 0 "[ . 1 . 2]" 1
41 1 63 ALA MB 1 121 GLU HG3 . . 5.150 2.982 2.126 4.314 . 0 0 "[ . 1 . 2]" 1
42 1 64 TRP H 1 64 TRP HB2 . . 3.940 3.634 2.322 3.950 0.010 13 0 "[ . 1 . 2]" 1
43 1 64 TRP H 1 64 TRP HD1 . . 4.730 3.679 3.013 4.224 . 0 0 "[ . 1 . 2]" 1
44 1 64 TRP H 1 65 GLY H . . 4.280 3.474 1.826 4.353 0.073 12 0 "[ . 1 . 2]" 1
45 1 64 TRP H 1 65 GLY QA . . 4.590 4.112 3.554 4.474 . 0 0 "[ . 1 . 2]" 1
46 1 64 TRP H 1 116 VAL MG2 . . 5.270 4.354 3.704 5.062 . 0 0 "[ . 1 . 2]" 1
47 1 64 TRP HA 1 64 TRP HE3 . . 4.720 4.550 3.917 4.802 0.082 2 0 "[ . 1 . 2]" 1
48 1 64 TRP HA 1 112 ALA MB . . 4.370 4.153 3.055 4.480 0.110 18 0 "[ . 1 . 2]" 1
49 1 64 TRP HA 1 116 VAL MG2 . . 4.080 3.827 3.292 4.189 0.109 17 0 "[ . 1 . 2]" 1
50 1 64 TRP HB2 1 65 GLY H . . 4.470 2.900 1.882 4.468 . 0 0 "[ . 1 . 2]" 1
51 1 64 TRP HD1 1 112 ALA MB . . 4.430 3.778 2.649 4.502 0.072 17 0 "[ . 1 . 2]" 1
52 1 64 TRP HD1 1 116 VAL HB . . 4.680 3.366 2.811 4.337 . 0 0 "[ . 1 . 2]" 1
53 1 64 TRP HD1 1 116 VAL MG1 . . 4.650 3.664 3.079 4.688 0.038 2 0 "[ . 1 . 2]" 1
54 1 64 TRP HD1 1 116 VAL MG2 . . 4.460 2.625 2.093 3.640 . 0 0 "[ . 1 . 2]" 1
55 1 64 TRP HE1 1 112 ALA MB . . 4.760 4.336 3.574 4.842 0.082 9 0 "[ . 1 . 2]" 1
56 1 64 TRP HE1 1 113 SER H . . 4.270 4.031 3.364 4.345 0.075 10 0 "[ . 1 . 2]" 1
57 1 64 TRP HE1 1 116 VAL HB . . 4.750 4.575 3.926 4.835 0.085 2 0 "[ . 1 . 2]" 1
58 1 64 TRP HE3 1 65 GLY QA . . 4.520 2.937 2.218 3.952 . 0 0 "[ . 1 . 2]" 1
59 1 64 TRP HE3 1 68 ALA MB . . 4.660 3.301 2.102 4.679 0.019 15 0 "[ . 1 . 2]" 1
60 1 64 TRP HE3 1 112 ALA MB . . 5.020 3.694 2.312 5.115 0.095 17 0 "[ . 1 . 2]" 1
61 1 64 TRP HZ3 1 68 ALA MB . . 5.080 3.619 1.988 5.178 0.098 15 0 "[ . 1 . 2]" 1
62 1 66 ARG H 1 67 LEU H . . 4.190 2.859 2.116 3.230 . 0 0 "[ . 1 . 2]" 1
63 1 66 ARG HA 1 69 CYS QB . . 4.090 3.036 2.079 3.880 . 0 0 "[ . 1 . 2]" 1
64 1 67 LEU H 1 67 LEU QB . . 3.800 2.374 2.047 2.826 . 0 0 "[ . 1 . 2]" 1
65 1 67 LEU H 1 67 LEU QD . . 5.190 2.922 1.844 3.786 . 0 0 "[ . 1 . 2]" 1
66 1 67 LEU HA 1 67 LEU QD . . 3.950 2.540 1.997 3.410 . 0 0 "[ . 1 . 2]" 1
67 1 67 LEU HA 1 70 TYR QD . . 4.570 2.479 2.047 4.378 . 0 0 "[ . 1 . 2]" 1
68 1 67 LEU HA 1 125 TRP HZ3 . . 4.350 4.234 3.250 4.436 0.086 14 0 "[ . 1 . 2]" 1
69 1 67 LEU QB 1 68 ALA HA . . 4.510 3.931 3.466 4.422 . 0 0 "[ . 1 . 2]" 1
70 1 67 LEU QD 1 112 ALA HA . . 3.890 3.089 2.050 3.929 0.039 16 0 "[ . 1 . 2]" 1
71 1 67 LEU QD 1 112 ALA MB . . 3.870 2.556 1.893 3.753 . 0 0 "[ . 1 . 2]" 1
72 1 67 LEU QD 1 115 LEU QD . . 3.740 3.331 2.027 3.787 0.047 8 0 "[ . 1 . 2]" 1
73 1 67 LEU QD 1 125 TRP QB . . 4.950 3.003 2.223 4.327 . 0 0 "[ . 1 . 2]" 1
74 1 67 LEU QD 1 125 TRP HE3 . . 5.100 2.555 2.207 2.839 . 0 0 "[ . 1 . 2]" 1
75 1 67 LEU QD 1 125 TRP HH2 . . 4.370 3.643 2.912 4.232 . 0 0 "[ . 1 . 2]" 1
76 1 67 LEU QD 1 125 TRP HZ3 . . 5.080 2.834 1.948 3.760 . 0 0 "[ . 1 . 2]" 1
77 1 68 ALA H 1 68 ALA MB . . 3.340 2.246 2.203 2.300 . 0 0 "[ . 1 . 2]" 1
78 1 68 ALA H 1 69 CYS H . . 3.480 2.766 2.592 3.020 . 0 0 "[ . 1 . 2]" 1
79 1 68 ALA H 1 70 TYR H . . 5.010 4.568 4.274 4.991 . 0 0 "[ . 1 . 2]" 1
80 1 68 ALA H 1 112 ALA MB . . 4.260 3.767 3.064 4.329 0.069 14 0 "[ . 1 . 2]" 1
81 1 68 ALA HA 1 71 LEU H . . 4.750 3.235 2.890 3.818 . 0 0 "[ . 1 . 2]" 1
82 1 68 ALA HA 1 71 LEU QB . . 4.520 2.308 1.939 2.995 . 0 0 "[ . 1 . 2]" 1
83 1 68 ALA HA 1 71 LEU QD . . 4.530 2.729 2.221 3.413 . 0 0 "[ . 1 . 2]" 1
84 1 68 ALA HA 1 71 LEU HG . . 4.600 3.799 2.385 4.687 0.087 14 0 "[ . 1 . 2]" 1
85 1 68 ALA HA 1 109 MET HA . . 4.540 3.586 2.974 4.216 . 0 0 "[ . 1 . 2]" 1
86 1 68 ALA HA 1 112 ALA MB . . 3.570 3.421 2.561 3.668 0.098 14 0 "[ . 1 . 2]" 1
87 1 68 ALA MB 1 69 CYS H . . 3.730 3.029 2.677 3.409 . 0 0 "[ . 1 . 2]" 1
88 1 68 ALA MB 1 69 CYS HA . . 4.940 4.011 3.786 4.315 . 0 0 "[ . 1 . 2]" 1
89 1 68 ALA MB 1 71 LEU QB . . 3.800 3.563 3.133 3.917 0.117 5 0 "[ . 1 . 2]" 1
90 1 68 ALA MB 1 71 LEU QD . . 5.010 3.717 3.320 4.391 . 0 0 "[ . 1 . 2]" 1
91 1 68 ALA MB 1 109 MET HA . . 3.680 2.158 1.866 2.476 . 0 0 "[ . 1 . 2]" 1
92 1 68 ALA MB 1 109 MET QB . . 4.090 2.442 2.036 3.461 . 0 0 "[ . 1 . 2]" 1
93 1 68 ALA MB 1 109 MET HG2 . . 4.380 3.897 2.111 4.590 0.210 16 0 "[ . 1 . 2]" 1
94 1 68 ALA MB 1 109 MET HG3 . . 4.490 4.390 3.491 4.600 0.110 5 0 "[ . 1 . 2]" 1
95 1 68 ALA MB 1 112 ALA MB . . 3.970 2.874 2.079 3.536 . 0 0 "[ . 1 . 2]" 1
96 1 69 CYS H 1 69 CYS QB . . 3.340 2.277 2.022 2.526 . 0 0 "[ . 1 . 2]" 1
97 1 69 CYS H 1 70 TYR H . . 3.640 2.627 2.120 2.955 . 0 0 "[ . 1 . 2]" 1
98 1 69 CYS H 1 70 TYR QD . . 5.210 3.753 3.161 4.387 . 0 0 "[ . 1 . 2]" 1
99 1 69 CYS H 1 70 TYR QE . . 5.110 5.071 4.396 5.199 0.089 10 0 "[ . 1 . 2]" 1
100 1 69 CYS HA 1 72 GLU H . . 4.400 3.612 3.180 4.445 0.045 6 0 "[ . 1 . 2]" 1
101 1 69 CYS HA 1 72 GLU QB . . 4.000 2.758 2.090 4.059 0.059 15 0 "[ . 1 . 2]" 1
102 1 69 CYS QB 1 70 TYR H . . 3.840 2.611 2.221 3.226 . 0 0 "[ . 1 . 2]" 1
103 1 69 CYS QB 1 70 TYR HA . . 4.290 4.205 3.918 4.372 0.082 1 0 "[ . 1 . 2]" 1
104 1 70 TYR H 1 70 TYR HB2 . . 3.700 2.553 2.391 2.714 . 0 0 "[ . 1 . 2]" 1
105 1 70 TYR H 1 70 TYR HB3 . . 4.100 3.609 3.552 3.686 . 0 0 "[ . 1 . 2]" 1
106 1 70 TYR H 1 70 TYR QD . . 3.830 2.243 1.764 3.080 . 0 0 "[ . 1 . 2]" 1
107 1 70 TYR H 1 71 LEU H . . 3.630 2.567 1.858 2.855 . 0 0 "[ . 1 . 2]" 1
108 1 70 TYR H 1 72 GLU H . . 4.870 4.109 3.398 4.828 . 0 0 "[ . 1 . 2]" 1
109 1 70 TYR HA 1 70 TYR QD . . 3.620 3.012 2.264 3.368 . 0 0 "[ . 1 . 2]" 1
110 1 70 TYR HA 1 73 PHE QB . . 4.270 3.596 2.726 4.372 0.102 6 0 "[ . 1 . 2]" 1
111 1 70 TYR HA 1 73 PHE QD . . 3.940 3.786 3.172 4.036 0.096 20 0 "[ . 1 . 2]" 1
112 1 70 TYR HA 1 140 LEU QD . . 4.390 3.042 2.638 3.617 . 0 0 "[ . 1 . 2]" 1
113 1 70 TYR HB2 1 71 LEU H . . 4.560 2.818 2.293 3.656 . 0 0 "[ . 1 . 2]" 1
114 1 70 TYR HB2 1 125 TRP HH2 . . 4.460 2.555 2.206 2.819 . 0 0 "[ . 1 . 2]" 1
115 1 70 TYR HB3 1 125 TRP HH2 . . 4.410 3.384 2.569 3.993 . 0 0 "[ . 1 . 2]" 1
116 1 70 TYR HB3 1 140 LEU QD . . 4.590 2.384 2.039 3.020 . 0 0 "[ . 1 . 2]" 1
117 1 70 TYR HB3 1 144 ALA MB . . 5.110 4.796 3.694 5.207 0.097 4 0 "[ . 1 . 2]" 1
118 1 70 TYR QD 1 140 LEU QD . . 3.850 2.538 2.054 3.099 . 0 0 "[ . 1 . 2]" 1
119 1 70 TYR QE 1 140 LEU QD . . 4.690 4.169 3.685 4.696 0.006 20 0 "[ . 1 . 2]" 1
120 1 70 TYR QE 1 143 GLN HB2 . . 3.900 2.980 2.265 4.146 0.246 10 0 "[ . 1 . 2]" 1
121 1 70 TYR QE 1 144 ALA H . . 4.390 3.481 2.500 4.377 . 0 0 "[ . 1 . 2]" 1
122 1 70 TYR QE 1 144 ALA HA . . 4.110 3.095 2.385 4.201 0.091 7 0 "[ . 1 . 2]" 1
123 1 70 TYR QE 1 144 ALA MB . . 4.190 3.364 2.638 4.230 0.040 18 0 "[ . 1 . 2]" 1
124 1 71 LEU H 1 71 LEU QD . . 4.210 2.816 2.210 3.391 . 0 0 "[ . 1 . 2]" 1
125 1 71 LEU H 1 71 LEU HG . . 4.670 3.144 2.161 4.549 . 0 0 "[ . 1 . 2]" 1
126 1 71 LEU H 1 72 GLU H . . 3.700 2.669 2.226 3.011 . 0 0 "[ . 1 . 2]" 1
127 1 71 LEU HA 1 71 LEU QD . . 3.330 2.212 2.065 2.371 . 0 0 "[ . 1 . 2]" 1
128 1 71 LEU HA 1 72 GLU HA . . 4.790 4.593 4.452 4.771 . 0 0 "[ . 1 . 2]" 1
129 1 71 LEU HA 1 73 PHE H . . 4.020 3.955 3.549 4.092 0.072 12 0 "[ . 1 . 2]" 1
130 1 71 LEU HA 1 74 LEU H . . 4.430 4.047 3.535 4.412 . 0 0 "[ . 1 . 2]" 1
131 1 71 LEU HA 1 74 LEU QD . . 3.410 2.105 1.928 2.490 . 0 0 "[ . 1 . 2]" 1
132 1 71 LEU QB 1 79 LEU QD . . 3.420 2.620 2.131 3.488 0.068 8 0 "[ . 1 . 2]" 1
133 1 71 LEU QD 1 72 GLU H . . 4.760 4.324 4.087 4.499 . 0 0 "[ . 1 . 2]" 1
134 1 71 LEU QD 1 74 LEU QD . . 3.570 2.794 2.334 3.298 . 0 0 "[ . 1 . 2]" 1
135 1 71 LEU QD 1 74 LEU HG . . 4.850 4.593 3.854 4.845 . 0 0 "[ . 1 . 2]" 1
136 1 71 LEU QD 1 79 LEU QD . . 3.660 2.851 2.135 3.309 . 0 0 "[ . 1 . 2]" 1
137 1 71 LEU QD 1 82 PHE QD . . 5.220 3.578 2.715 4.072 . 0 0 "[ . 1 . 2]" 1
138 1 71 LEU QD 1 82 PHE QE . . 5.170 3.074 2.013 3.978 . 0 0 "[ . 1 . 2]" 1
139 1 71 LEU QD 1 82 PHE HZ . . 4.730 3.543 2.709 4.621 . 0 0 "[ . 1 . 2]" 1
140 1 71 LEU QD 1 111 VAL H . . 5.110 4.376 3.884 4.960 . 0 0 "[ . 1 . 2]" 1
141 1 71 LEU QD 1 111 VAL HB . . 3.770 3.202 2.429 3.840 0.070 19 0 "[ . 1 . 2]" 1
142 1 71 LEU QD 1 111 VAL QG . . 3.760 2.700 1.875 3.352 . 0 0 "[ . 1 . 2]" 1
143 1 71 LEU QD 1 112 ALA H . . 4.190 3.304 2.928 3.710 . 0 0 "[ . 1 . 2]" 1
144 1 71 LEU QD 1 112 ALA HA . . 3.810 3.468 2.930 3.846 0.036 6 0 "[ . 1 . 2]" 1
145 1 71 LEU QD 1 112 ALA MB . . 3.600 2.685 2.174 3.183 . 0 0 "[ . 1 . 2]" 1
146 1 71 LEU QD 1 125 TRP HE3 . . 5.310 4.244 3.702 4.915 . 0 0 "[ . 1 . 2]" 1
147 1 71 LEU QD 1 125 TRP HH2 . . 3.740 2.975 2.007 3.752 0.012 10 0 "[ . 1 . 2]" 1
148 1 71 LEU QD 1 125 TRP HZ3 . . 4.900 2.603 1.967 3.343 . 0 0 "[ . 1 . 2]" 1
149 1 71 LEU HG 1 125 TRP HH2 . . 4.660 4.447 3.098 4.756 0.096 17 0 "[ . 1 . 2]" 1
150 1 72 GLU H 1 72 GLU QB . . 3.240 2.379 2.053 2.908 . 0 0 "[ . 1 . 2]" 1
151 1 72 GLU H 1 72 GLU HG3 . . 4.110 3.867 2.112 4.635 0.525 13 2 "[- . 1 + . 2]" 1
152 1 72 GLU H 1 73 PHE H . . 3.870 2.132 1.803 2.533 . 0 0 "[ . 1 . 2]" 1
153 1 72 GLU H 1 74 LEU H . . 5.020 4.136 3.615 5.061 0.041 2 0 "[ . 1 . 2]" 1
154 1 72 GLU HA 1 74 LEU QD . . 4.880 3.909 3.058 4.859 . 0 0 "[ . 1 . 2]" 1
155 1 72 GLU QB 1 73 PHE H . . 3.920 3.370 2.946 3.932 0.012 14 0 "[ . 1 . 2]" 1
156 1 73 PHE H 1 73 PHE QB . . 3.090 2.190 2.058 2.374 . 0 0 "[ . 1 . 2]" 1
157 1 73 PHE H 1 73 PHE QD . . 4.600 3.095 2.292 3.570 . 0 0 "[ . 1 . 2]" 1
158 1 73 PHE H 1 74 LEU H . . 3.270 2.599 2.296 2.791 . 0 0 "[ . 1 . 2]" 1
159 1 73 PHE H 1 74 LEU QD . . 4.880 3.438 2.929 3.895 . 0 0 "[ . 1 . 2]" 1
160 1 73 PHE H 1 140 LEU QD . . 4.890 4.455 4.074 4.797 . 0 0 "[ . 1 . 2]" 1
161 1 73 PHE HA 1 73 PHE QD . . 3.930 3.423 3.119 3.721 . 0 0 "[ . 1 . 2]" 1
162 1 73 PHE QB 1 74 LEU H . . 4.030 3.226 2.954 3.800 . 0 0 "[ . 1 . 2]" 1
163 1 73 PHE QB 1 140 LEU QD . . 3.740 3.415 2.783 3.753 0.013 20 0 "[ . 1 . 2]" 1
164 1 73 PHE QD 1 140 LEU QD . . 4.400 2.302 1.927 2.848 . 0 0 "[ . 1 . 2]" 1
165 1 73 PHE QE 1 137 LEU QD . . 5.260 3.084 2.078 3.707 . 0 0 "[ . 1 . 2]" 1
166 1 73 PHE HZ 1 74 LEU QD . . 5.250 3.292 2.092 3.862 . 0 0 "[ . 1 . 2]" 1
167 1 73 PHE HZ 1 135 MET ME . . 4.670 4.649 3.401 4.772 0.102 14 0 "[ . 1 . 2]" 1
168 1 73 PHE HZ 1 137 LEU QD . . 4.160 2.571 2.117 3.940 . 0 0 "[ . 1 . 2]" 1
169 1 73 PHE HZ 1 140 LEU QD . . 4.950 3.046 2.296 4.070 . 0 0 "[ . 1 . 2]" 1
170 1 74 LEU H 1 74 LEU QB . . 3.120 2.791 2.023 3.000 . 0 0 "[ . 1 . 2]" 1
171 1 74 LEU H 1 74 LEU QD . . 3.730 2.168 1.801 2.821 . 0 0 "[ . 1 . 2]" 1
172 1 74 LEU HA 1 74 LEU QD . . 3.810 3.341 2.075 3.458 . 0 0 "[ . 1 . 2]" 1
173 1 74 LEU HA 1 75 LYS H . . 3.200 2.304 2.157 2.457 . 0 0 "[ . 1 . 2]" 1
174 1 74 LEU HA 1 79 LEU H . . 5.140 5.203 5.083 5.221 0.081 4 0 "[ . 1 . 2]" 1
175 1 74 LEU QB 1 75 LYS H . . 3.590 2.349 2.218 2.572 . 0 0 "[ . 1 . 2]" 1
176 1 74 LEU QB 1 78 GLU H . . 4.740 3.364 2.968 4.671 . 0 0 "[ . 1 . 2]" 1
177 1 74 LEU QB 1 79 LEU H . . 4.140 3.152 2.866 3.516 . 0 0 "[ . 1 . 2]" 1
178 1 74 LEU QD 1 75 LYS H . . 4.230 3.578 2.413 3.929 . 0 0 "[ . 1 . 2]" 1
179 1 74 LEU QD 1 78 GLU H . . 4.190 3.733 3.521 3.947 . 0 0 "[ . 1 . 2]" 1
180 1 74 LEU QD 1 78 GLU QB . . 4.890 2.241 1.951 3.619 . 0 0 "[ . 1 . 2]" 1
181 1 74 LEU QD 1 79 LEU H . . 4.650 2.925 2.559 3.300 . 0 0 "[ . 1 . 2]" 1
182 1 74 LEU QD 1 79 LEU HA . . 3.680 2.462 2.112 2.828 . 0 0 "[ . 1 . 2]" 1
183 1 74 LEU QD 1 79 LEU HB2 . . 4.410 2.493 2.006 3.197 . 0 0 "[ . 1 . 2]" 1
184 1 74 LEU QD 1 79 LEU HB3 . . 4.820 3.774 3.359 4.206 . 0 0 "[ . 1 . 2]" 1
185 1 74 LEU QD 1 79 LEU QD . . 3.490 2.188 1.977 2.846 . 0 0 "[ . 1 . 2]" 1
186 1 74 LEU QD 1 80 LYS H . . 4.950 4.576 4.295 4.869 . 0 0 "[ . 1 . 2]" 1
187 1 74 LEU QD 1 82 PHE H . . 5.160 4.173 3.875 4.494 . 0 0 "[ . 1 . 2]" 1
188 1 74 LEU QD 1 82 PHE HB2 . . 4.820 3.213 2.839 3.475 . 0 0 "[ . 1 . 2]" 1
189 1 74 LEU QD 1 82 PHE HB3 . . 4.830 3.726 3.349 4.137 . 0 0 "[ . 1 . 2]" 1
190 1 74 LEU QD 1 135 MET ME . . 3.530 2.123 1.920 2.331 . 0 0 "[ . 1 . 2]" 1
191 1 74 LEU QD 1 135 MET HG2 . . 5.180 5.405 5.091 5.948 0.768 15 6 "[ .* *** -+ 2]" 1
192 1 74 LEU QD 1 137 LEU QD . . 3.760 3.168 2.356 3.434 . 0 0 "[ . 1 . 2]" 1
193 1 74 LEU QD 1 140 LEU QD . . 3.730 2.891 2.219 3.490 . 0 0 "[ . 1 . 2]" 1
194 1 74 LEU HG 1 79 LEU QD . . 4.720 3.670 2.221 4.505 . 0 0 "[ . 1 . 2]" 1
195 1 75 LYS H 1 79 LEU HB2 . . 4.190 3.918 3.315 4.192 0.002 2 0 "[ . 1 . 2]" 1
196 1 75 LYS H 1 79 LEU HB3 . . 4.970 4.813 4.442 5.036 0.066 13 0 "[ . 1 . 2]" 1
197 1 75 LYS HA 1 76 LYS H . . 3.270 2.747 2.482 3.026 . 0 0 "[ . 1 . 2]" 1
198 1 75 LYS HA 1 76 LYS QD . . 3.990 3.822 3.142 4.089 0.099 3 0 "[ . 1 . 2]" 1
199 1 75 LYS HA 1 77 GLU H . . 4.610 4.520 4.265 4.680 0.070 10 0 "[ . 1 . 2]" 1
200 1 75 LYS HA 1 79 LEU HB2 . . 3.430 3.277 2.980 3.529 0.099 17 0 "[ . 1 . 2]" 1
201 1 75 LYS QB 1 76 LYS H . . 4.110 2.057 1.851 2.309 . 0 0 "[ . 1 . 2]" 1
202 1 75 LYS QB 1 76 LYS HA . . 4.460 4.432 4.319 4.551 0.091 15 0 "[ . 1 . 2]" 1
203 1 75 LYS QB 1 77 GLU H . . 4.090 3.134 2.822 3.584 . 0 0 "[ . 1 . 2]" 1
204 1 75 LYS QB 1 78 GLU H . . 4.690 4.557 4.045 4.797 0.107 19 0 "[ . 1 . 2]" 1
205 1 76 LYS H 1 76 LYS HB2 . . 3.580 2.713 2.175 3.622 0.042 7 0 "[ . 1 . 2]" 1
206 1 76 LYS H 1 76 LYS HB3 . . 3.690 3.285 2.300 3.644 . 0 0 "[ . 1 . 2]" 1
207 1 76 LYS H 1 76 LYS QD . . 4.840 2.204 1.800 3.428 . 0 0 "[ . 1 . 2]" 1
208 1 76 LYS H 1 76 LYS HG2 . . 4.450 3.725 2.322 4.246 . 0 0 "[ . 1 . 2]" 1
209 1 76 LYS H 1 76 LYS HG3 . . 4.250 3.679 2.918 4.154 . 0 0 "[ . 1 . 2]" 1
210 1 76 LYS H 1 77 GLU H . . 3.940 2.928 2.627 3.173 . 0 0 "[ . 1 . 2]" 1
211 1 76 LYS HA 1 76 LYS QD . . 3.760 3.176 2.154 3.819 0.059 3 0 "[ . 1 . 2]" 1
212 1 76 LYS HA 1 76 LYS HG2 . . 3.970 3.583 3.139 3.837 . 0 0 "[ . 1 . 2]" 1
213 1 76 LYS HA 1 76 LYS HG3 . . 4.140 2.995 2.200 4.212 0.072 7 0 "[ . 1 . 2]" 1
214 1 76 LYS HA 1 78 GLU H . . 4.350 4.193 3.619 4.427 0.077 19 0 "[ . 1 . 2]" 1
215 1 76 LYS HA 1 79 LEU H . . 4.430 3.470 3.145 3.837 . 0 0 "[ . 1 . 2]" 1
216 1 76 LYS HA 1 79 LEU HB3 . . 3.190 2.329 1.994 2.925 . 0 0 "[ . 1 . 2]" 1
217 1 76 LYS HA 1 79 LEU QD . . 4.810 3.271 2.749 3.790 . 0 0 "[ . 1 . 2]" 1
218 1 76 LYS HB2 1 76 LYS QD . . 3.350 2.736 2.222 3.369 0.019 18 0 "[ . 1 . 2]" 1
219 1 76 LYS HB2 1 76 LYS QE . . 4.560 3.841 2.207 4.549 . 0 0 "[ . 1 . 2]" 1
220 1 76 LYS HB2 1 77 GLU H . . 3.970 3.433 2.799 4.053 0.083 4 0 "[ . 1 . 2]" 1
221 1 76 LYS HB3 1 76 LYS QD . . 3.240 3.021 2.298 3.435 0.195 1 0 "[ . 1 . 2]" 1
222 1 76 LYS HB3 1 77 GLU H . . 3.970 3.904 2.923 4.060 0.090 4 0 "[ . 1 . 2]" 1
223 1 76 LYS QD 1 79 LEU QD . . 4.980 3.706 2.070 4.947 . 0 0 "[ . 1 . 2]" 1
224 1 76 LYS QE 1 76 LYS HG3 . . 3.570 2.625 2.245 3.425 . 0 0 "[ . 1 . 2]" 1
225 1 76 LYS HG3 1 77 GLU H . . 5.500 4.936 3.849 5.531 0.031 11 0 "[ . 1 . 2]" 1
226 1 77 GLU H 1 77 GLU HB2 . . 3.400 2.437 2.175 2.799 . 0 0 "[ . 1 . 2]" 1
227 1 77 GLU H 1 77 GLU HB3 . . 3.740 3.514 2.965 3.621 . 0 0 "[ . 1 . 2]" 1
228 1 77 GLU H 1 77 GLU HG2 . . 4.100 3.466 1.845 4.629 0.529 4 1 "[ +. 1 . 2]" 1
229 1 77 GLU H 1 78 GLU H . . 3.590 3.064 2.655 3.455 . 0 0 "[ . 1 . 2]" 1
230 1 77 GLU HA 1 77 GLU HG2 . . 3.370 2.864 2.453 3.693 0.323 9 0 "[ . 1 . 2]" 1
231 1 77 GLU HA 1 77 GLU HG3 . . 3.810 2.842 2.228 3.852 0.042 10 0 "[ . 1 . 2]" 1
232 1 77 GLU HB3 1 78 GLU H . . 4.540 3.265 2.328 4.096 . 0 0 "[ . 1 . 2]" 1
233 1 78 GLU H 1 79 LEU H . . 3.490 1.996 1.766 2.194 . 0 0 "[ . 1 . 2]" 1
234 1 78 GLU H 1 79 LEU HB2 . . 4.180 4.137 3.913 4.254 0.074 6 0 "[ . 1 . 2]" 1
235 1 78 GLU H 1 80 LYS H . . 4.670 3.738 3.372 4.100 . 0 0 "[ . 1 . 2]" 1
236 1 78 GLU H 1 135 MET ME . . 4.680 4.770 4.634 4.798 0.118 6 0 "[ . 1 . 2]" 1
237 1 78 GLU HA 1 80 LYS H . . 3.970 3.890 3.514 4.057 0.087 17 0 "[ . 1 . 2]" 1
238 1 78 GLU HA 1 81 GLU QB . . 4.220 2.428 2.167 3.387 . 0 0 "[ . 1 . 2]" 1
239 1 78 GLU HA 1 81 GLU QG . . 3.530 3.576 3.178 3.636 0.106 9 0 "[ . 1 . 2]" 1
240 1 78 GLU QB 1 135 MET HB3 . . 4.040 3.986 3.406 4.138 0.098 19 0 "[ . 1 . 2]" 1
241 1 78 GLU QB 1 135 MET ME . . 3.890 2.010 1.901 2.226 . 0 0 "[ . 1 . 2]" 1
242 1 79 LEU H 1 79 LEU HB2 . . 3.850 2.361 2.209 2.470 . 0 0 "[ . 1 . 2]" 1
243 1 79 LEU H 1 79 LEU HB3 . . 3.680 2.526 2.372 2.658 . 0 0 "[ . 1 . 2]" 1
244 1 79 LEU H 1 79 LEU QD . . 4.150 3.683 3.585 3.737 . 0 0 "[ . 1 . 2]" 1
245 1 79 LEU H 1 79 LEU HG . . 4.840 4.473 4.339 4.559 . 0 0 "[ . 1 . 2]" 1
246 1 79 LEU H 1 80 LYS H . . 3.670 2.683 2.502 2.895 . 0 0 "[ . 1 . 2]" 1
247 1 79 LEU H 1 135 MET ME . . 5.000 4.449 4.196 4.680 . 0 0 "[ . 1 . 2]" 1
248 1 79 LEU HA 1 79 LEU QD . . 3.170 2.127 1.982 2.282 . 0 0 "[ . 1 . 2]" 1
249 1 79 LEU HA 1 82 PHE H . . 3.940 3.542 2.950 3.884 . 0 0 "[ . 1 . 2]" 1
250 1 79 LEU HA 1 82 PHE HB3 . . 4.350 2.816 2.476 3.211 . 0 0 "[ . 1 . 2]" 1
251 1 79 LEU HA 1 135 MET ME . . 4.070 3.886 3.592 4.161 0.091 11 0 "[ . 1 . 2]" 1
252 1 79 LEU HB2 1 80 LYS H . . 3.960 3.843 3.685 4.026 0.066 7 0 "[ . 1 . 2]" 1
253 1 79 LEU QD 1 80 LYS H . . 4.150 3.713 3.410 3.933 . 0 0 "[ . 1 . 2]" 1
254 1 79 LEU QD 1 82 PHE HB3 . . 4.980 3.095 2.421 3.563 . 0 0 "[ . 1 . 2]" 1
255 1 79 LEU QD 1 82 PHE QD . . 4.440 3.825 3.126 4.297 . 0 0 "[ . 1 . 2]" 1
256 1 79 LEU QD 1 106 THR HA . . 3.810 3.355 2.022 3.895 0.085 11 0 "[ . 1 . 2]" 1
257 1 79 LEU QD 1 106 THR MG . . 5.140 4.460 3.263 5.075 . 0 0 "[ . 1 . 2]" 1
258 1 79 LEU QD 1 107 SER H . . 4.730 4.049 3.419 4.713 . 0 0 "[ . 1 . 2]" 1
259 1 79 LEU QD 1 107 SER HA . . 4.180 3.211 2.132 4.151 . 0 0 "[ . 1 . 2]" 1
260 1 79 LEU QD 1 108 GLY H . . 4.270 3.228 2.466 4.080 . 0 0 "[ . 1 . 2]" 1
261 1 79 LEU QD 1 108 GLY HA2 . . 4.210 2.517 1.954 3.390 . 0 0 "[ . 1 . 2]" 1
262 1 79 LEU QD 1 111 VAL HB . . 4.580 3.702 2.837 4.551 . 0 0 "[ . 1 . 2]" 1
263 1 79 LEU QD 1 111 VAL QG . . 3.570 2.507 1.982 3.148 . 0 0 "[ . 1 . 2]" 1
264 1 79 LEU HG 1 111 VAL QG . . 4.870 3.883 2.683 4.746 . 0 0 "[ . 1 . 2]" 1
265 1 80 LYS H 1 80 LYS QB . . 3.030 2.332 2.229 2.459 . 0 0 "[ . 1 . 2]" 1
266 1 80 LYS HA 1 80 LYS QD . . 3.790 2.808 2.030 3.909 0.119 14 0 "[ . 1 . 2]" 1
267 1 80 LYS HA 1 80 LYS HG2 . . 3.810 3.159 2.175 3.890 0.080 8 0 "[ . 1 . 2]" 1
268 1 80 LYS HA 1 80 LYS HG3 . . 3.820 3.312 2.817 3.668 . 0 0 "[ . 1 . 2]" 1
269 1 80 LYS HA 1 82 PHE H . . 4.570 4.482 3.304 4.640 0.070 11 0 "[ . 1 . 2]" 1
270 1 80 LYS HA 1 83 GLN QB . . 4.130 3.432 2.430 4.214 0.084 7 0 "[ . 1 . 2]" 1
271 1 80 LYS HA 1 84 LEU H . . 4.360 4.059 2.958 4.421 0.061 4 0 "[ . 1 . 2]" 1
272 1 80 LYS HA 1 84 LEU QB . . 4.240 4.101 3.160 4.236 . 0 0 "[ . 1 . 2]" 1
273 1 80 LYS QB 1 80 LYS QD . . 3.220 2.385 2.136 2.537 . 0 0 "[ . 1 . 2]" 1
274 1 80 LYS QB 1 80 LYS QE . . 3.690 3.445 2.324 3.819 0.129 16 0 "[ . 1 . 2]" 1
275 1 80 LYS QD 1 84 LEU QD . . 4.530 3.268 2.164 4.335 . 0 0 "[ . 1 . 2]" 1
276 1 80 LYS QE 1 80 LYS HG2 . . 3.470 2.835 2.073 3.329 . 0 0 "[ . 1 . 2]" 1
277 1 80 LYS QE 1 80 LYS HG3 . . 3.900 2.672 2.184 3.591 . 0 0 "[ . 1 . 2]" 1
278 1 80 LYS QE 1 84 LEU QB . . 2.490 2.175 1.855 2.555 0.065 6 0 "[ . 1 . 2]" 1
279 1 80 LYS QE 1 84 LEU QD . . 3.830 2.337 1.740 3.184 . 0 0 "[ . 1 . 2]" 1
280 1 80 LYS HG3 1 84 LEU QD . . 4.780 3.478 2.325 4.794 0.014 17 0 "[ . 1 . 2]" 1
281 1 81 GLU H 1 81 GLU QB . . 3.390 2.279 2.070 2.386 . 0 0 "[ . 1 . 2]" 1
282 1 81 GLU H 1 81 GLU QG . . 3.540 2.809 2.322 3.605 0.065 16 0 "[ . 1 . 2]" 1
283 1 81 GLU HA 1 81 GLU QG . . 3.260 2.257 2.003 3.191 . 0 0 "[ . 1 . 2]" 1
284 1 81 GLU HA 1 84 LEU H . . 4.400 3.439 3.058 4.191 . 0 0 "[ . 1 . 2]" 1
285 1 81 GLU HA 1 84 LEU QD . . 3.090 2.624 2.083 3.158 0.068 13 0 "[ . 1 . 2]" 1
286 1 81 GLU HA 1 85 LEU H . . 3.580 3.342 3.068 3.590 0.010 7 0 "[ . 1 . 2]" 1
287 1 81 GLU HA 1 85 LEU QD . . 4.730 3.381 1.746 4.045 . 0 0 "[ . 1 . 2]" 1
288 1 81 GLU HA 1 85 LEU HG . . 3.560 3.198 2.792 3.674 0.114 3 0 "[ . 1 . 2]" 1
289 1 81 GLU QB 1 82 PHE H . . 3.780 2.809 2.443 3.610 . 0 0 "[ . 1 . 2]" 1
290 1 81 GLU QB 1 84 LEU QD . . 4.850 3.990 3.383 4.545 . 0 0 "[ . 1 . 2]" 1
291 1 81 GLU QB 1 85 LEU QD . . 3.740 2.339 1.932 3.486 . 0 0 "[ . 1 . 2]" 1
292 1 81 GLU QG 1 82 PHE H . . 4.810 4.210 2.638 4.670 . 0 0 "[ . 1 . 2]" 1
293 1 81 GLU QG 1 84 LEU QD . . 4.690 3.035 2.273 4.397 . 0 0 "[ . 1 . 2]" 1
294 1 81 GLU QG 1 85 LEU H . . 4.700 4.656 3.906 4.807 0.107 2 0 "[ . 1 . 2]" 1
295 1 81 GLU QG 1 85 LEU QD . . 3.440 2.956 1.916 3.323 . 0 0 "[ . 1 . 2]" 1
296 1 81 GLU QG 1 85 LEU HG . . 3.940 3.535 2.237 4.053 0.113 13 0 "[ . 1 . 2]" 1
297 1 82 PHE H 1 82 PHE HB2 . . 3.670 2.376 2.195 2.747 . 0 0 "[ . 1 . 2]" 1
298 1 82 PHE H 1 82 PHE HB3 . . 3.690 2.670 2.474 2.814 . 0 0 "[ . 1 . 2]" 1
299 1 82 PHE H 1 83 GLN H . . 3.520 3.067 2.563 3.351 . 0 0 "[ . 1 . 2]" 1
300 1 82 PHE H 1 135 MET ME . . 3.610 3.384 2.655 3.678 0.068 11 0 "[ . 1 . 2]" 1
301 1 82 PHE HA 1 82 PHE QD . . 3.960 3.000 2.655 3.260 . 0 0 "[ . 1 . 2]" 1
302 1 82 PHE HA 1 84 LEU H . . 4.370 4.348 3.944 4.451 0.081 18 0 "[ . 1 . 2]" 1
303 1 82 PHE HA 1 85 LEU HB2 . . 4.390 3.151 2.956 3.301 . 0 0 "[ . 1 . 2]" 1
304 1 82 PHE HA 1 85 LEU HB3 . . 4.850 4.788 4.220 4.925 0.075 18 0 "[ . 1 . 2]" 1
305 1 82 PHE HA 1 85 LEU QD . . 3.810 3.351 2.784 3.836 0.026 9 0 "[ . 1 . 2]" 1
306 1 82 PHE HA 1 131 THR MG . . 3.760 2.343 1.968 2.771 . 0 0 "[ . 1 . 2]" 1
307 1 82 PHE HB2 1 135 MET ME . . 4.210 2.504 2.113 2.966 . 0 0 "[ . 1 . 2]" 1
308 1 82 PHE HB3 1 83 GLN H . . 4.450 2.478 2.092 3.347 . 0 0 "[ . 1 . 2]" 1
309 1 82 PHE HB3 1 135 MET ME . . 3.910 3.896 3.423 4.315 0.405 15 0 "[ . 1 . 2]" 1
310 1 82 PHE QD 1 83 GLN H . . 4.470 3.309 2.671 4.264 . 0 0 "[ . 1 . 2]" 1
311 1 82 PHE QD 1 83 GLN HA . . 4.140 3.008 2.483 3.947 . 0 0 "[ . 1 . 2]" 1
312 1 82 PHE QD 1 86 LEU QB . . 4.630 3.638 3.013 4.294 . 0 0 "[ . 1 . 2]" 1
313 1 82 PHE QD 1 111 VAL QG . . 4.670 3.739 3.346 4.069 . 0 0 "[ . 1 . 2]" 1
314 1 82 PHE QD 1 128 ALA MB . . 5.220 4.474 4.065 4.806 . 0 0 "[ . 1 . 2]" 1
315 1 82 PHE QD 1 131 THR MG . . 3.930 2.824 2.229 3.760 . 0 0 "[ . 1 . 2]" 1
316 1 82 PHE QE 1 86 LEU QD . . 4.470 2.752 1.927 4.287 . 0 0 "[ . 1 . 2]" 1
317 1 82 PHE QE 1 111 VAL QG . . 4.410 4.169 3.542 4.398 . 0 0 "[ . 1 . 2]" 1
318 1 82 PHE QE 1 115 LEU QD . . 4.540 2.959 2.054 3.959 . 0 0 "[ . 1 . 2]" 1
319 1 82 PHE QE 1 128 ALA HA . . 3.810 3.538 3.173 3.807 . 0 0 "[ . 1 . 2]" 1
320 1 82 PHE QE 1 128 ALA MB . . 4.120 2.627 2.100 3.105 . 0 0 "[ . 1 . 2]" 1
321 1 82 PHE QE 1 131 THR MG . . 5.020 3.435 3.003 4.032 . 0 0 "[ . 1 . 2]" 1
322 1 82 PHE HZ 1 128 ALA HA . . 3.920 3.133 2.015 3.993 0.073 2 0 "[ . 1 . 2]" 1
323 1 82 PHE HZ 1 128 ALA MB . . 3.780 2.106 1.992 2.333 . 0 0 "[ . 1 . 2]" 1
324 1 82 PHE HZ 1 131 THR MG . . 4.690 4.357 3.723 4.784 0.094 15 0 "[ . 1 . 2]" 1
325 1 83 GLN H 1 83 GLN QB . . 3.480 2.317 2.108 2.648 . 0 0 "[ . 1 . 2]" 1
326 1 83 GLN H 1 83 GLN HG2 . . 4.450 3.817 2.002 4.587 0.137 2 0 "[ . 1 . 2]" 1
327 1 83 GLN H 1 83 GLN HG3 . . 4.590 3.989 2.478 4.631 0.041 14 0 "[ . 1 . 2]" 1
328 1 83 GLN H 1 84 LEU H . . 3.710 2.693 2.165 3.037 . 0 0 "[ . 1 . 2]" 1
329 1 83 GLN HA 1 83 GLN HG2 . . 4.100 3.206 2.174 4.249 0.149 17 0 "[ . 1 . 2]" 1
330 1 83 GLN HA 1 86 LEU QB . . 3.800 2.642 2.309 3.012 . 0 0 "[ . 1 . 2]" 1
331 1 83 GLN HA 1 86 LEU QD . . 3.770 2.815 2.031 3.687 . 0 0 "[ . 1 . 2]" 1
332 1 83 GLN HA 1 111 VAL QG . . 4.920 3.869 3.174 4.503 . 0 0 "[ . 1 . 2]" 1
333 1 83 GLN HG2 1 111 VAL QG . . 4.700 3.449 2.161 4.293 . 0 0 "[ . 1 . 2]" 1
334 1 84 LEU H 1 84 LEU QB . . 3.230 2.117 1.940 2.357 . 0 0 "[ . 1 . 2]" 1
335 1 84 LEU H 1 84 LEU QD . . 4.040 3.512 3.252 3.668 . 0 0 "[ . 1 . 2]" 1
336 1 84 LEU H 1 84 LEU HG . . 4.030 3.674 3.011 4.125 0.095 3 0 "[ . 1 . 2]" 1
337 1 84 LEU H 1 85 LEU H . . 3.590 2.613 2.342 2.820 . 0 0 "[ . 1 . 2]" 1
338 1 84 LEU H 1 85 LEU QD . . 5.480 4.538 3.383 4.949 . 0 0 "[ . 1 . 2]" 1
339 1 84 LEU H 1 86 LEU H . . 4.010 3.782 3.293 4.077 0.067 6 0 "[ . 1 . 2]" 1
340 1 84 LEU HA 1 84 LEU QD . . 2.930 2.824 2.362 2.974 0.044 9 0 "[ . 1 . 2]" 1
341 1 84 LEU HA 1 87 ALA MB . . 4.020 3.071 2.464 3.527 . 0 0 "[ . 1 . 2]" 1
342 1 84 LEU QB 1 85 LEU H . . 3.830 2.662 1.954 3.416 . 0 0 "[ . 1 . 2]" 1
343 1 84 LEU QB 1 85 LEU HA . . 5.170 4.431 3.906 4.851 . 0 0 "[ . 1 . 2]" 1
344 1 84 LEU QB 1 86 LEU H . . 5.240 4.608 4.432 4.710 . 0 0 "[ . 1 . 2]" 1
345 1 84 LEU QD 1 85 LEU H . . 3.920 3.020 2.838 3.374 . 0 0 "[ . 1 . 2]" 1
346 1 84 LEU QD 1 88 ASN HD21 . . 4.600 3.609 2.337 4.621 0.021 4 0 "[ . 1 . 2]" 1
347 1 84 LEU HG 1 85 LEU H . . 4.640 3.353 1.948 4.678 0.038 15 0 "[ . 1 . 2]" 1
348 1 85 LEU H 1 85 LEU HB2 . . 3.860 2.451 2.109 2.540 . 0 0 "[ . 1 . 2]" 1
349 1 85 LEU H 1 85 LEU HB3 . . 4.000 3.540 3.279 3.625 . 0 0 "[ . 1 . 2]" 1
350 1 85 LEU H 1 85 LEU QD . . 3.790 2.894 1.770 3.095 . 0 0 "[ . 1 . 2]" 1
351 1 85 LEU H 1 85 LEU HG . . 3.280 2.313 2.036 3.378 0.098 13 0 "[ . 1 . 2]" 1
352 1 85 LEU H 1 86 LEU H . . 3.670 2.788 2.593 2.955 . 0 0 "[ . 1 . 2]" 1
353 1 85 LEU H 1 131 THR MG . . 4.970 4.091 3.778 4.649 . 0 0 "[ . 1 . 2]" 1
354 1 85 LEU HA 1 85 LEU QD . . 2.870 2.196 2.072 2.543 . 0 0 "[ . 1 . 2]" 1
355 1 85 LEU HA 1 85 LEU HG . . 3.980 3.072 2.475 3.305 . 0 0 "[ . 1 . 2]" 1
356 1 85 LEU HA 1 88 ASN QB . . 3.870 2.412 2.043 2.872 . 0 0 "[ . 1 . 2]" 1
357 1 85 LEU HA 1 88 ASN HD21 . . 4.680 3.548 2.816 4.138 . 0 0 "[ . 1 . 2]" 1
358 1 85 LEU HB2 1 86 LEU H . . 3.970 2.816 2.473 3.303 . 0 0 "[ . 1 . 2]" 1
359 1 85 LEU HB2 1 131 THR MG . . 3.700 2.425 2.151 2.917 . 0 0 "[ . 1 . 2]" 1
360 1 85 LEU HB3 1 131 THR MG . . 4.230 2.964 2.478 3.546 . 0 0 "[ . 1 . 2]" 1
361 1 85 LEU QD 1 86 LEU H . . 4.710 4.167 3.903 4.380 . 0 0 "[ . 1 . 2]" 1
362 1 85 LEU QD 1 88 ASN QB . . 4.170 3.466 2.915 3.943 . 0 0 "[ . 1 . 2]" 1
363 1 85 LEU QD 1 131 THR MG . . 3.660 3.106 2.572 3.645 . 0 0 "[ . 1 . 2]" 1
364 1 85 LEU QD 1 134 GLN HA . . 5.110 4.437 3.578 5.163 0.053 13 0 "[ . 1 . 2]" 1
365 1 85 LEU QD 1 134 GLN QB . . 4.580 2.385 1.827 3.358 . 0 0 "[ . 1 . 2]" 1
366 1 85 LEU QD 1 135 MET H . . 4.680 3.811 3.044 4.510 . 0 0 "[ . 1 . 2]" 1
367 1 85 LEU QD 1 135 MET HG2 . . 3.780 2.751 2.018 3.626 . 0 0 "[ . 1 . 2]" 1
368 1 85 LEU QD 1 135 MET HG3 . . 3.770 2.730 2.006 3.757 . 0 0 "[ . 1 . 2]" 1
369 1 86 LEU H 1 86 LEU QB . . 3.260 2.127 1.979 2.269 . 0 0 "[ . 1 . 2]" 1
370 1 86 LEU H 1 86 LEU QD . . 4.080 3.663 3.449 3.745 . 0 0 "[ . 1 . 2]" 1
371 1 86 LEU H 1 88 ASN H . . 4.460 3.887 3.497 4.199 . 0 0 "[ . 1 . 2]" 1
372 1 86 LEU H 1 131 THR MG . . 4.400 2.866 2.428 3.221 . 0 0 "[ . 1 . 2]" 1
373 1 86 LEU HA 1 86 LEU QD . . 3.280 2.765 2.195 3.095 . 0 0 "[ . 1 . 2]" 1
374 1 86 LEU HA 1 86 LEU HG . . 4.060 3.116 2.251 3.950 . 0 0 "[ . 1 . 2]" 1
375 1 86 LEU HA 1 89 LYS H . . 4.500 3.541 3.119 4.062 . 0 0 "[ . 1 . 2]" 1
376 1 86 LEU HA 1 89 LYS QB . . 4.200 2.795 2.184 3.629 . 0 0 "[ . 1 . 2]" 1
377 1 86 LEU QB 1 87 ALA H . . 3.940 2.545 2.078 3.451 . 0 0 "[ . 1 . 2]" 1
378 1 86 LEU QB 1 131 THR HB . . 4.150 3.801 3.421 4.137 . 0 0 "[ . 1 . 2]" 1
379 1 86 LEU QB 1 131 THR MG . . 3.990 2.294 1.943 2.744 . 0 0 "[ . 1 . 2]" 1
380 1 86 LEU QD 1 87 ALA H . . 4.580 3.144 2.827 3.638 . 0 0 "[ . 1 . 2]" 1
381 1 86 LEU QD 1 87 ALA HA . . 4.160 2.964 2.433 3.728 . 0 0 "[ . 1 . 2]" 1
382 1 86 LEU QD 1 87 ALA MB . . 5.320 3.409 2.866 4.166 . 0 0 "[ . 1 . 2]" 1
383 1 86 LEU QD 1 88 ASN H . . 4.730 4.584 4.130 4.702 . 0 0 "[ . 1 . 2]" 1
384 1 86 LEU QD 1 115 LEU QD . . 3.750 1.867 1.721 2.126 . 0 0 "[ . 1 . 2]" 1
385 1 86 LEU QD 1 119 TYR QD . . 4.680 4.012 3.399 4.380 . 0 0 "[ . 1 . 2]" 1
386 1 86 LEU QD 1 119 TYR QE . . 3.780 2.888 2.252 3.780 0.000 18 0 "[ . 1 . 2]" 1
387 1 86 LEU QD 1 127 LEU HB2 . . 4.800 4.402 3.955 4.740 . 0 0 "[ . 1 . 2]" 1
388 1 86 LEU QD 1 127 LEU HB3 . . 4.310 3.684 2.586 4.324 0.014 5 0 "[ . 1 . 2]" 1
389 1 86 LEU QD 1 127 LEU QD . . 3.260 1.940 1.782 2.106 . 0 0 "[ . 1 . 2]" 1
390 1 86 LEU QD 1 128 ALA HA . . 4.410 2.675 2.039 4.109 . 0 0 "[ . 1 . 2]" 1
391 1 86 LEU QD 1 128 ALA MB . . 5.030 2.777 2.106 4.061 . 0 0 "[ . 1 . 2]" 1
392 1 86 LEU QD 1 131 THR MG . . 5.240 3.242 2.693 3.830 . 0 0 "[ . 1 . 2]" 1
393 1 86 LEU HG 1 87 ALA H . . 4.750 3.824 2.345 4.791 0.041 9 0 "[ . 1 . 2]" 1
394 1 87 ALA H 1 87 ALA MB . . 2.930 2.215 2.109 2.249 . 0 0 "[ . 1 . 2]" 1
395 1 87 ALA H 1 88 ASN H . . 3.600 2.657 2.492 2.832 . 0 0 "[ . 1 . 2]" 1
396 1 87 ALA HA 1 88 ASN H . . 3.610 3.502 3.314 3.574 . 0 0 "[ . 1 . 2]" 1
397 1 87 ALA HA 1 127 LEU QD . . 4.640 4.222 3.897 4.440 . 0 0 "[ . 1 . 2]" 1
398 1 87 ALA MB 1 88 ASN H . . 3.300 2.819 2.385 3.272 . 0 0 "[ . 1 . 2]" 1
399 1 87 ALA MB 1 88 ASN HA . . 4.750 4.032 3.867 4.196 . 0 0 "[ . 1 . 2]" 1
400 1 87 ALA MB 1 88 ASN QB . . 4.380 4.084 3.594 4.459 0.079 8 0 "[ . 1 . 2]" 1
401 1 88 ASN H 1 88 ASN QB . . 2.970 2.264 2.149 2.355 . 0 0 "[ . 1 . 2]" 1
402 1 88 ASN H 1 88 ASN HD21 . . 5.290 4.630 2.452 5.060 . 0 0 "[ . 1 . 2]" 1
403 1 88 ASN QB 1 89 LYS H . . 3.580 2.657 2.297 3.173 . 0 0 "[ . 1 . 2]" 1
404 1 88 ASN QB 1 89 LYS QB . . 4.610 4.016 3.698 4.465 . 0 0 "[ . 1 . 2]" 1
405 1 89 LYS H 1 89 LYS QB . . 3.110 2.065 1.861 2.461 . 0 0 "[ . 1 . 2]" 1
406 1 89 LYS H 1 89 LYS QD . . 4.750 4.258 2.048 4.840 0.090 16 0 "[ . 1 . 2]" 1
407 1 89 LYS H 1 89 LYS HG3 . . 3.940 4.083 3.897 4.435 0.495 9 0 "[ . 1 . 2]" 1
408 1 89 LYS H 1 90 ALA H . . 3.710 2.717 2.140 2.957 . 0 0 "[ . 1 . 2]" 1
409 1 89 LYS H 1 90 ALA MB . . 4.750 4.319 3.751 4.588 . 0 0 "[ . 1 . 2]" 1
410 1 89 LYS HA 1 89 LYS QD . . 3.640 2.908 2.146 3.722 0.082 20 0 "[ . 1 . 2]" 1
411 1 89 LYS HA 1 89 LYS HE3 . . 4.180 3.730 1.888 4.949 0.769 6 2 "[ .+ 1 . - 2]" 1
412 1 89 LYS HA 1 89 LYS HG3 . . 3.580 3.336 2.314 3.733 0.153 9 0 "[ . 1 . 2]" 1
413 1 89 LYS QB 1 90 ALA H . . 3.300 2.384 1.866 2.865 . 0 0 "[ . 1 . 2]" 1
414 1 89 LYS QB 1 90 ALA MB . . 4.930 3.957 3.408 4.303 . 0 0 "[ . 1 . 2]" 1
415 1 89 LYS QB 1 127 LEU QD . . 4.460 2.591 1.971 3.430 . 0 0 "[ . 1 . 2]" 1
416 1 89 LYS QD 1 89 LYS HG3 . . 2.580 2.330 2.135 2.586 0.006 3 0 "[ . 1 . 2]" 1
417 1 89 LYS QD 1 127 LEU QD . . 4.620 3.288 2.118 4.071 . 0 0 "[ . 1 . 2]" 1
418 1 89 LYS HE2 1 127 LEU QD . . 5.160 4.547 3.110 5.149 . 0 0 "[ . 1 . 2]" 1
419 1 89 LYS HE3 1 89 LYS HG3 . . 4.010 3.134 2.137 3.892 . 0 0 "[ . 1 . 2]" 1
420 1 89 LYS HE3 1 127 LEU QD . . 5.180 4.335 3.031 5.111 . 0 0 "[ . 1 . 2]" 1
421 1 89 LYS HG2 1 90 ALA H . . 4.590 4.484 3.921 4.870 0.280 8 0 "[ . 1 . 2]" 1
422 1 89 LYS HG3 1 90 ALA H . . 4.800 3.928 2.765 4.847 0.047 16 0 "[ . 1 . 2]" 1
423 1 89 LYS HG3 1 127 LEU QD . . 4.560 3.133 2.262 4.452 . 0 0 "[ . 1 . 2]" 1
424 1 90 ALA H 1 90 ALA MB . . 3.130 2.401 2.167 2.788 . 0 0 "[ . 1 . 2]" 1
425 1 90 ALA H 1 127 LEU QD . . 4.870 2.950 2.288 3.631 . 0 0 "[ . 1 . 2]" 1
426 1 90 ALA HA 1 91 HIS HD2 . . 4.490 3.992 2.740 4.574 0.084 8 0 "[ . 1 . 2]" 1
427 1 90 ALA HA 1 127 LEU QD . . 4.010 2.779 2.019 3.579 . 0 0 "[ . 1 . 2]" 1
428 1 90 ALA MB 1 91 HIS H . . 4.460 2.556 1.872 3.709 . 0 0 "[ . 1 . 2]" 1
429 1 90 ALA MB 1 91 HIS HD2 . . 4.490 3.801 2.273 4.601 0.111 17 0 "[ . 1 . 2]" 1
430 1 90 ALA MB 1 127 LEU QD . . 3.800 2.621 1.856 3.599 . 0 0 "[ . 1 . 2]" 1
431 1 91 HIS H 1 91 HIS HB2 . . 4.060 3.764 2.919 4.139 0.079 17 0 "[ . 1 . 2]" 1
432 1 91 HIS HA 1 91 HIS HD2 . . 4.670 4.206 3.924 4.601 . 0 0 "[ . 1 . 2]" 1
433 1 91 HIS HA 1 92 SER H . . 3.490 2.718 2.166 3.564 0.074 4 0 "[ . 1 . 2]" 1
434 1 91 HIS HB2 1 91 HIS HD2 . . 3.820 3.712 2.555 3.972 0.152 20 0 "[ . 1 . 2]" 1
435 1 91 HIS HB3 1 91 HIS HD2 . . 3.960 3.440 2.847 3.945 . 0 0 "[ . 1 . 2]" 1
436 1 91 HIS HD2 1 92 SER QB . . 4.530 4.336 3.456 4.629 0.099 10 0 "[ . 1 . 2]" 1
437 1 92 SER QB 1 93 ARG H . . 4.480 2.824 1.876 4.055 . 0 0 "[ . 1 . 2]" 1
438 1 92 SER QB 1 93 ARG HA . . 4.520 4.243 3.667 4.611 0.091 16 0 "[ . 1 . 2]" 1
439 1 93 ARG H 1 93 ARG HB2 . . 4.140 3.060 2.261 3.773 . 0 0 "[ . 1 . 2]" 1
440 1 93 ARG H 1 93 ARG QG . . 4.800 3.865 2.963 4.423 . 0 0 "[ . 1 . 2]" 1
441 1 93 ARG HA 1 93 ARG HB3 . . 3.060 2.797 2.407 3.054 . 0 0 "[ . 1 . 2]" 1
442 1 93 ARG HA 1 93 ARG QD . . 4.140 3.750 2.128 4.158 0.018 3 0 "[ . 1 . 2]" 1
443 1 93 ARG HA 1 93 ARG QG . . 3.390 2.304 2.065 2.465 . 0 0 "[ . 1 . 2]" 1
444 1 93 ARG HA 1 94 SER H . . 3.650 2.792 2.119 3.614 . 0 0 "[ . 1 . 2]" 1
445 1 93 ARG HB2 1 93 ARG QD . . 3.450 2.613 2.260 3.508 0.058 14 0 "[ . 1 . 2]" 1
446 1 93 ARG HB2 1 93 ARG QG . . 2.780 2.375 2.124 2.540 . 0 0 "[ . 1 . 2]" 1
447 1 93 ARG HB3 1 93 ARG QD . . 3.400 2.690 2.137 3.375 . 0 0 "[ . 1 . 2]" 1
448 1 94 SER H 1 94 SER QB . . 3.810 2.874 2.144 3.382 . 0 0 "[ . 1 . 2]" 1
449 1 95 SER HA 1 95 SER QB . . 2.630 2.322 2.146 2.474 . 0 0 "[ . 1 . 2]" 1
450 1 95 SER QB 1 96 SER H . . 3.990 2.757 1.898 3.963 . 0 0 "[ . 1 . 2]" 1
451 1 96 SER HA 1 96 SER QB . . 2.640 2.299 2.134 2.497 . 0 0 "[ . 1 . 2]" 1
452 1 96 SER HA 1 97 GLY H . . 3.460 2.773 2.178 3.540 0.080 1 0 "[ . 1 . 2]" 1
453 1 96 SER QB 1 98 GLU H . . 4.010 3.318 2.639 4.080 0.070 5 0 "[ . 1 . 2]" 1
454 1 96 SER QB 1 98 GLU QG . . 3.860 3.444 2.118 3.981 0.121 3 0 "[ . 1 . 2]" 1
455 1 97 GLY H 1 98 GLU H . . 3.160 2.564 1.690 3.215 0.055 10 0 "[ . 1 . 2]" 1
456 1 97 GLY HA2 1 98 GLU H . . 3.410 3.176 2.272 3.610 0.200 11 0 "[ . 1 . 2]" 1
457 1 98 GLU H 1 98 GLU HB2 . . 3.670 2.974 2.051 3.750 0.080 6 0 "[ . 1 . 2]" 1
458 1 98 GLU H 1 98 GLU HB3 . . 3.270 3.277 2.422 3.757 0.487 3 0 "[ . 1 . 2]" 1
459 1 98 GLU H 1 98 GLU QG . . 3.550 2.606 1.860 3.641 0.091 12 0 "[ . 1 . 2]" 1
460 1 98 GLU HA 1 98 GLU QG . . 3.560 2.833 2.127 3.410 . 0 0 "[ . 1 . 2]" 1
461 1 98 GLU HA 1 99 THR H . . 2.740 2.355 2.118 2.822 0.082 16 0 "[ . 1 . 2]" 1
462 1 98 GLU HB2 1 99 THR H . . 3.820 3.688 2.501 4.634 0.814 3 3 "[ + . 1- . *2]" 1
463 1 98 GLU QG 1 99 THR H . . 4.650 4.056 2.530 4.717 0.067 19 0 "[ . 1 . 2]" 1
464 1 99 THR H 1 99 THR HB . . 3.390 3.212 1.979 3.488 0.098 14 0 "[ . 1 . 2]" 1
465 1 99 THR H 1 99 THR MG . . 4.100 3.230 2.126 4.026 . 0 0 "[ . 1 . 2]" 1
466 1 99 THR H 1 100 PRO HD3 . . 5.330 4.758 3.964 5.255 . 0 0 "[ . 1 . 2]" 1
467 1 99 THR HA 1 99 THR MG . . 3.430 2.586 2.179 3.254 . 0 0 "[ . 1 . 2]" 1
468 1 99 THR HA 1 100 PRO HD2 . . 2.900 2.579 2.244 2.967 0.067 9 0 "[ . 1 . 2]" 1
469 1 99 THR HA 1 100 PRO HD3 . . 2.800 2.359 2.129 2.565 . 0 0 "[ . 1 . 2]" 1
470 1 99 THR HB 1 100 PRO HD2 . . 3.740 3.179 2.078 3.825 0.085 14 0 "[ . 1 . 2]" 1
471 1 99 THR HB 1 100 PRO HD3 . . 4.460 4.202 3.431 4.548 0.088 2 0 "[ . 1 . 2]" 1
472 1 99 THR MG 1 100 PRO HD2 . . 3.880 2.548 1.934 3.755 . 0 0 "[ . 1 . 2]" 1
473 1 99 THR MG 1 100 PRO HD3 . . 4.540 3.594 3.052 4.154 . 0 0 "[ . 1 . 2]" 1
474 1 100 PRO HA 1 101 ALA H . . 2.560 2.387 2.223 2.633 0.073 6 0 "[ . 1 . 2]" 1
475 1 100 PRO HA 1 101 ALA MB . . 4.440 4.120 3.684 4.496 0.056 2 0 "[ . 1 . 2]" 1
476 1 100 PRO HB2 1 101 ALA H . . 3.760 2.725 2.063 3.067 . 0 0 "[ . 1 . 2]" 1
477 1 100 PRO HB3 1 101 ALA H . . 3.740 3.614 3.361 3.813 0.073 5 0 "[ . 1 . 2]" 1
478 1 100 PRO HG2 1 101 ALA H . . 4.780 4.396 3.702 4.685 . 0 0 "[ . 1 . 2]" 1
479 1 101 ALA H 1 101 ALA MB . . 2.890 2.746 2.214 2.977 0.087 4 0 "[ . 1 . 2]" 1
480 1 101 ALA HA 1 102 GLN H . . 2.580 2.456 2.103 2.663 0.083 8 0 "[ . 1 . 2]" 1
481 1 101 ALA MB 1 102 GLN H . . 3.760 2.940 1.839 3.799 0.039 3 0 "[ . 1 . 2]" 1
482 1 102 GLN H 1 102 GLN HB2 . . 3.170 3.036 2.198 3.762 0.592 7 3 "[ . + *1 . -2]" 1
483 1 102 GLN H 1 102 GLN HB3 . . 3.670 3.280 2.433 3.750 0.080 17 0 "[ . 1 . 2]" 1
484 1 102 GLN H 1 102 GLN HG2 . . 3.570 3.044 2.107 4.520 0.950 20 3 "[ - 1 . * +]" 1
485 1 102 GLN H 1 103 PRO HA . . 5.500 5.212 4.725 5.580 0.080 13 0 "[ . 1 . 2]" 1
486 1 102 GLN H 1 103 PRO HD3 . . 4.760 4.814 4.679 4.846 0.086 13 0 "[ . 1 . 2]" 1
487 1 102 GLN HA 1 102 GLN HG2 . . 3.870 3.263 2.394 3.814 . 0 0 "[ . 1 . 2]" 1
488 1 102 GLN HA 1 103 PRO HD2 . . 3.060 2.429 2.175 2.671 . 0 0 "[ . 1 . 2]" 1
489 1 102 GLN HA 1 103 PRO HD3 . . 2.940 2.219 2.088 2.390 . 0 0 "[ . 1 . 2]" 1
490 1 102 GLN HA 1 103 PRO QG . . 4.010 4.021 3.959 4.088 0.078 11 0 "[ . 1 . 2]" 1
491 1 102 GLN HB2 1 103 PRO HD2 . . 3.830 3.230 2.179 3.915 0.085 17 0 "[ . 1 . 2]" 1
492 1 102 GLN HB2 1 103 PRO HD3 . . 4.810 4.256 3.275 4.858 0.048 8 0 "[ . 1 . 2]" 1
493 1 102 GLN HB3 1 103 PRO HD2 . . 4.060 2.952 2.215 3.902 . 0 0 "[ . 1 . 2]" 1
494 1 102 GLN HE21 1 102 GLN HG2 . . 3.500 2.765 2.201 3.567 0.067 4 0 "[ . 1 . 2]" 1
495 1 102 GLN HG2 1 103 PRO HD2 . . 4.700 4.439 3.562 5.380 0.680 6 1 "[ .+ 1 . 2]" 1
496 1 103 PRO HA 1 104 GLU H . . 2.700 2.307 1.975 2.709 0.009 3 0 "[ . 1 . 2]" 1
497 1 103 PRO HA 1 104 GLU HA . . 4.390 4.428 4.265 4.475 0.085 3 0 "[ . 1 . 2]" 1
498 1 103 PRO HA 1 105 LYS H . . 5.110 4.378 3.848 5.169 0.059 2 0 "[ . 1 . 2]" 1
499 1 103 PRO HB2 1 104 GLU H . . 3.550 2.887 2.063 3.455 . 0 0 "[ . 1 . 2]" 1
500 1 103 PRO HB3 1 104 GLU H . . 3.780 3.668 3.406 3.860 0.080 10 0 "[ . 1 . 2]" 1
501 1 104 GLU H 1 104 GLU QB . . 2.890 2.467 2.084 2.796 . 0 0 "[ . 1 . 2]" 1
502 1 104 GLU H 1 104 GLU QG . . 4.260 2.946 1.836 3.482 . 0 0 "[ . 1 . 2]" 1
503 1 104 GLU H 1 105 LYS H . . 3.530 3.044 2.051 3.608 0.078 4 0 "[ . 1 . 2]" 1
504 1 104 GLU HA 1 105 LYS H . . 2.860 2.681 2.303 2.947 0.087 1 0 "[ . 1 . 2]" 1
505 1 104 GLU HA 1 105 LYS HA . . 4.400 4.417 4.259 4.488 0.088 14 0 "[ . 1 . 2]" 1
506 1 104 GLU QG 1 105 LYS H . . 4.810 4.401 3.423 4.667 . 0 0 "[ . 1 . 2]" 1
507 1 105 LYS H 1 105 LYS QB . . 3.480 2.844 2.452 3.476 . 0 0 "[ . 1 . 2]" 1
508 1 105 LYS H 1 105 LYS QG . . 3.920 3.067 2.160 4.010 0.090 12 0 "[ . 1 . 2]" 1
509 1 105 LYS H 1 111 VAL QG . . 4.930 4.725 4.078 4.949 0.019 4 0 "[ . 1 . 2]" 1
510 1 105 LYS HA 1 105 LYS QD . . 4.240 3.580 2.238 4.300 0.060 6 0 "[ . 1 . 2]" 1
511 1 105 LYS HA 1 106 THR H . . 3.240 2.265 2.152 2.670 . 0 0 "[ . 1 . 2]" 1
512 1 105 LYS HA 1 106 THR MG . . 4.670 3.938 3.395 4.460 . 0 0 "[ . 1 . 2]" 1
513 1 105 LYS HA 1 107 SER H . . 4.730 3.850 3.327 4.467 . 0 0 "[ . 1 . 2]" 1
514 1 105 LYS QB 1 106 THR H . . 4.010 3.147 2.002 3.818 . 0 0 "[ . 1 . 2]" 1
515 1 105 LYS QB 1 107 SER H . . 4.350 3.765 2.674 4.456 0.106 11 0 "[ . 1 . 2]" 1
516 1 105 LYS QB 1 111 VAL QG . . 3.850 2.738 1.928 3.458 . 0 0 "[ . 1 . 2]" 1
517 1 106 THR H 1 106 THR MG . . 3.880 2.686 2.103 3.556 . 0 0 "[ . 1 . 2]" 1
518 1 106 THR H 1 107 SER H . . 3.560 2.395 1.860 3.264 . 0 0 "[ . 1 . 2]" 1
519 1 106 THR HA 1 107 SER H . . 3.540 3.181 2.281 3.578 0.038 1 0 "[ . 1 . 2]" 1
520 1 106 THR HA 1 107 SER HA . . 4.300 4.367 4.262 4.396 0.096 18 0 "[ . 1 . 2]" 1
521 1 106 THR HA 1 111 VAL QG . . 4.750 3.633 2.343 4.761 0.011 5 0 "[ . 1 . 2]" 1
522 1 106 THR MG 1 107 SER H . . 4.660 3.670 2.169 4.519 . 0 0 "[ . 1 . 2]" 1
523 1 107 SER H 1 107 SER HB2 . . 4.000 2.815 2.509 3.819 . 0 0 "[ . 1 . 2]" 1
524 1 107 SER H 1 107 SER HB3 . . 4.200 3.675 2.496 3.896 . 0 0 "[ . 1 . 2]" 1
525 1 107 SER H 1 108 GLY H . . 4.730 4.446 4.199 4.632 . 0 0 "[ . 1 . 2]" 1
526 1 107 SER H 1 110 GLU H . . 4.360 3.925 3.386 4.412 0.052 6 0 "[ . 1 . 2]" 1
527 1 107 SER H 1 110 GLU HB2 . . 4.690 3.272 2.120 4.226 . 0 0 "[ . 1 . 2]" 1
528 1 107 SER H 1 110 GLU HB3 . . 4.150 3.515 1.985 4.547 0.397 17 0 "[ . 1 . 2]" 1
529 1 107 SER H 1 111 VAL QG . . 4.630 3.219 2.322 4.189 . 0 0 "[ . 1 . 2]" 1
530 1 107 SER HA 1 108 GLY H . . 3.200 2.286 2.095 2.449 . 0 0 "[ . 1 . 2]" 1
531 1 107 SER HA 1 109 MET H . . 4.600 4.434 4.102 4.682 0.082 15 0 "[ . 1 . 2]" 1
532 1 107 SER HB2 1 108 GLY H . . 3.930 3.777 2.970 4.014 0.084 10 0 "[ . 1 . 2]" 1
533 1 107 SER HB2 1 109 MET H . . 4.680 3.802 2.888 4.752 0.072 10 0 "[ . 1 . 2]" 1
534 1 107 SER HB3 1 108 GLY H . . 3.680 3.051 2.566 3.991 0.311 17 0 "[ . 1 . 2]" 1
535 1 107 SER HB3 1 109 MET H . . 4.170 3.500 2.759 4.584 0.414 17 0 "[ . 1 . 2]" 1
536 1 107 SER HB3 1 110 GLU H . . 4.150 3.814 2.502 4.545 0.395 17 0 "[ . 1 . 2]" 1
537 1 108 GLY H 1 109 MET H . . 3.900 2.872 2.496 3.294 . 0 0 "[ . 1 . 2]" 1
538 1 108 GLY HA2 1 111 VAL H . . 4.850 3.591 2.962 4.883 0.033 15 0 "[ . 1 . 2]" 1
539 1 108 GLY HA2 1 111 VAL HB . . 4.560 3.392 2.083 4.646 0.086 16 0 "[ . 1 . 2]" 1
540 1 109 MET H 1 109 MET QB . . 3.670 2.604 2.394 2.821 . 0 0 "[ . 1 . 2]" 1
541 1 109 MET H 1 109 MET ME . . 3.770 3.530 2.037 3.881 0.111 7 0 "[ . 1 . 2]" 1
542 1 109 MET H 1 109 MET HG2 . . 3.940 2.298 1.816 3.409 . 0 0 "[ . 1 . 2]" 1
543 1 109 MET H 1 109 MET HG3 . . 3.830 2.854 1.875 3.975 0.145 16 0 "[ . 1 . 2]" 1
544 1 109 MET H 1 110 GLU H . . 3.710 2.777 2.401 3.068 . 0 0 "[ . 1 . 2]" 1
545 1 109 MET HA 1 109 MET HG3 . . 3.670 3.767 3.493 4.255 0.585 14 3 "[ . 1 *+.- 2]" 1
546 1 109 MET HA 1 112 ALA MB . . 4.260 2.630 2.210 3.487 . 0 0 "[ . 1 . 2]" 1
547 1 109 MET QB 1 109 MET ME . . 2.440 2.260 2.097 2.466 0.026 12 0 "[ . 1 . 2]" 1
548 1 109 MET QB 1 110 GLU H . . 4.250 3.545 2.458 3.895 . 0 0 "[ . 1 . 2]" 1
549 1 109 MET ME 1 109 MET HG2 . . 3.650 2.855 2.313 3.446 . 0 0 "[ . 1 . 2]" 1
550 1 109 MET HG2 1 110 GLU H . . 4.410 3.432 2.129 4.499 0.089 1 0 "[ . 1 . 2]" 1
551 1 109 MET HG3 1 110 GLU H . . 4.310 3.125 2.370 4.471 0.161 14 0 "[ . 1 . 2]" 1
552 1 110 GLU H 1 110 GLU HB2 . . 3.490 2.399 2.106 2.715 . 0 0 "[ . 1 . 2]" 1
553 1 110 GLU H 1 110 GLU HB3 . . 3.380 3.135 2.161 3.575 0.195 1 0 "[ . 1 . 2]" 1
554 1 110 GLU H 1 111 VAL H . . 3.530 2.395 2.080 2.666 . 0 0 "[ . 1 . 2]" 1
555 1 110 GLU H 1 111 VAL QG . . 5.000 3.768 3.341 4.133 . 0 0 "[ . 1 . 2]" 1
556 1 110 GLU HA 1 112 ALA H . . 4.460 4.059 3.423 4.328 . 0 0 "[ . 1 . 2]" 1
557 1 110 GLU HA 1 112 ALA MB . . 4.180 4.253 4.045 4.298 0.118 1 0 "[ . 1 . 2]" 1
558 1 110 GLU HA 1 113 SER H . . 3.950 3.276 2.862 3.991 0.041 16 0 "[ . 1 . 2]" 1
559 1 110 GLU HB2 1 111 VAL H . . 4.640 3.277 2.309 4.015 . 0 0 "[ . 1 . 2]" 1
560 1 110 GLU HB2 1 111 VAL QG . . 5.090 4.028 2.897 5.027 . 0 0 "[ . 1 . 2]" 1
561 1 111 VAL H 1 111 VAL HB . . 3.310 2.672 2.291 3.409 0.099 5 0 "[ . 1 . 2]" 1
562 1 111 VAL H 1 111 VAL QG . . 3.380 2.129 1.764 2.480 . 0 0 "[ . 1 . 2]" 1
563 1 111 VAL H 1 112 ALA H . . 3.360 2.601 2.250 2.751 . 0 0 "[ . 1 . 2]" 1
564 1 111 VAL H 1 112 ALA HA . . 5.270 5.201 4.833 5.318 0.048 12 0 "[ . 1 . 2]" 1
565 1 111 VAL HA 1 111 VAL QG . . 3.330 2.181 2.114 2.326 . 0 0 "[ . 1 . 2]" 1
566 1 111 VAL HA 1 114 TYR HB3 . . 4.330 2.237 1.978 2.475 . 0 0 "[ . 1 . 2]" 1
567 1 111 VAL HA 1 114 TYR QD . . 4.140 2.788 2.277 3.106 . 0 0 "[ . 1 . 2]" 1
568 1 111 VAL HA 1 114 TYR QE . . 4.730 4.730 4.355 4.826 0.096 17 0 "[ . 1 . 2]" 1
569 1 111 VAL HA 1 115 LEU H . . 5.130 3.994 3.759 4.226 . 0 0 "[ . 1 . 2]" 1
570 1 111 VAL HB 1 112 ALA H . . 3.610 3.100 2.716 3.703 0.093 5 0 "[ . 1 . 2]" 1
571 1 111 VAL HB 1 112 ALA HA . . 4.640 4.593 4.210 4.705 0.065 8 0 "[ . 1 . 2]" 1
572 1 111 VAL QG 1 112 ALA H . . 4.090 3.112 2.216 3.609 . 0 0 "[ . 1 . 2]" 1
573 1 111 VAL QG 1 112 ALA HA . . 4.310 3.649 3.173 4.121 . 0 0 "[ . 1 . 2]" 1
574 1 111 VAL QG 1 114 TYR QD . . 3.620 2.706 2.172 3.281 . 0 0 "[ . 1 . 2]" 1
575 1 112 ALA H 1 112 ALA MB . . 3.480 2.215 2.141 2.291 . 0 0 "[ . 1 . 2]" 1
576 1 112 ALA H 1 113 SER H . . 3.650 3.020 2.598 3.378 . 0 0 "[ . 1 . 2]" 1
577 1 112 ALA H 1 115 LEU H . . 5.290 4.689 4.559 4.845 . 0 0 "[ . 1 . 2]" 1
578 1 112 ALA HA 1 114 TYR H . . 4.040 4.118 4.107 4.130 0.090 3 0 "[ . 1 . 2]" 1
579 1 112 ALA HA 1 115 LEU HB3 . . 4.610 3.741 2.718 4.670 0.060 4 0 "[ . 1 . 2]" 1
580 1 112 ALA HA 1 115 LEU QD . . 4.260 3.445 2.770 4.215 . 0 0 "[ . 1 . 2]" 1
581 1 112 ALA MB 1 113 SER H . . 3.750 2.333 2.150 2.529 . 0 0 "[ . 1 . 2]" 1
582 1 112 ALA MB 1 114 TYR H . . 5.160 4.242 4.095 4.404 . 0 0 "[ . 1 . 2]" 1
583 1 112 ALA MB 1 115 LEU QD . . 5.330 4.403 3.992 5.064 . 0 0 "[ . 1 . 2]" 1
584 1 112 ALA MB 1 116 VAL MG2 . . 5.220 3.699 3.256 4.144 . 0 0 "[ . 1 . 2]" 1
585 1 113 SER H 1 114 TYR H . . 3.660 2.702 2.560 2.834 . 0 0 "[ . 1 . 2]" 1
586 1 114 TYR H 1 114 TYR HB2 . . 3.760 3.042 2.777 3.315 . 0 0 "[ . 1 . 2]" 1
587 1 114 TYR H 1 114 TYR HB3 . . 3.360 2.127 2.061 2.207 . 0 0 "[ . 1 . 2]" 1
588 1 114 TYR H 1 114 TYR QD . . 4.290 3.773 3.548 4.062 . 0 0 "[ . 1 . 2]" 1
589 1 114 TYR H 1 115 LEU H . . 3.710 2.516 2.371 2.715 . 0 0 "[ . 1 . 2]" 1
590 1 114 TYR HA 1 114 TYR QD . . 3.460 3.116 2.600 3.376 . 0 0 "[ . 1 . 2]" 1
591 1 114 TYR HA 1 117 ALA MB . . 3.560 2.613 2.211 3.062 . 0 0 "[ . 1 . 2]" 1
592 1 114 TYR HB2 1 117 ALA MB . . 5.090 4.478 3.971 5.073 . 0 0 "[ . 1 . 2]" 1
593 1 114 TYR HB3 1 115 LEU H . . 3.840 2.933 2.470 3.126 . 0 0 "[ . 1 . 2]" 1
594 1 114 TYR QD 1 115 LEU H . . 3.870 2.843 2.593 3.176 . 0 0 "[ . 1 . 2]" 1
595 1 114 TYR QD 1 115 LEU HB2 . . 3.880 3.451 2.547 3.977 0.097 16 0 "[ . 1 . 2]" 1
596 1 114 TYR QD 1 115 LEU HB3 . . 4.870 4.708 4.017 4.965 0.095 18 0 "[ . 1 . 2]" 1
597 1 114 TYR QD 1 115 LEU QD . . 3.420 3.068 2.054 3.422 0.002 19 0 "[ . 1 . 2]" 1
598 1 114 TYR QD 1 116 VAL H . . 5.500 5.300 5.087 5.527 0.027 1 0 "[ . 1 . 2]" 1
599 1 114 TYR QD 1 117 ALA MB . . 4.790 4.153 3.611 4.803 0.013 17 0 "[ . 1 . 2]" 1
600 1 114 TYR QD 1 118 GLN HG2 . . 4.440 3.496 2.979 4.130 . 0 0 "[ . 1 . 2]" 1
601 1 114 TYR QD 1 118 GLN HG3 . . 4.420 3.728 3.243 4.189 . 0 0 "[ . 1 . 2]" 1
602 1 114 TYR QE 1 115 LEU HA . . 4.350 4.076 3.570 4.419 0.069 1 0 "[ . 1 . 2]" 1
603 1 114 TYR QE 1 115 LEU QD . . 3.910 2.665 2.225 3.323 . 0 0 "[ . 1 . 2]" 1
604 1 114 TYR QE 1 118 GLN HG2 . . 4.980 3.585 2.873 4.000 . 0 0 "[ . 1 . 2]" 1
605 1 114 TYR QE 1 118 GLN HG3 . . 4.570 3.097 2.694 3.620 . 0 0 "[ . 1 . 2]" 1
606 1 115 LEU H 1 115 LEU HB2 . . 3.480 2.217 2.014 2.449 . 0 0 "[ . 1 . 2]" 1
607 1 115 LEU H 1 115 LEU HB3 . . 3.710 3.075 2.496 3.566 . 0 0 "[ . 1 . 2]" 1
608 1 115 LEU H 1 115 LEU QD . . 4.080 3.399 2.797 3.669 . 0 0 "[ . 1 . 2]" 1
609 1 115 LEU H 1 115 LEU HG . . 4.500 3.783 2.598 4.530 0.030 17 0 "[ . 1 . 2]" 1
610 1 115 LEU H 1 116 VAL H . . 3.860 2.742 2.574 2.897 . 0 0 "[ . 1 . 2]" 1
611 1 115 LEU H 1 124 ALA MB . . 4.760 4.683 4.328 4.851 0.091 13 0 "[ . 1 . 2]" 1
612 1 115 LEU HA 1 115 LEU QD . . 3.210 2.053 1.999 2.154 . 0 0 "[ . 1 . 2]" 1
613 1 115 LEU HA 1 115 LEU HG . . 4.100 2.837 2.583 3.013 . 0 0 "[ . 1 . 2]" 1
614 1 115 LEU HA 1 116 VAL HA . . 4.860 4.776 4.700 4.862 0.002 17 0 "[ . 1 . 2]" 1
615 1 115 LEU HA 1 118 GLN H . . 4.300 3.218 2.835 3.463 . 0 0 "[ . 1 . 2]" 1
616 1 115 LEU HA 1 118 GLN HB2 . . 4.410 2.555 2.257 2.918 . 0 0 "[ . 1 . 2]" 1
617 1 115 LEU HA 1 118 GLN HB3 . . 4.400 4.179 3.896 4.469 0.069 20 0 "[ . 1 . 2]" 1
618 1 115 LEU HA 1 118 GLN HG3 . . 4.720 3.274 2.472 4.132 . 0 0 "[ . 1 . 2]" 1
619 1 115 LEU HA 1 119 TYR QD . . 3.840 3.186 2.627 3.904 0.064 7 0 "[ . 1 . 2]" 1
620 1 115 LEU HA 1 119 TYR QE . . 4.490 3.958 3.359 4.492 0.002 20 0 "[ . 1 . 2]" 1
621 1 115 LEU HB2 1 115 LEU QD . . 3.270 2.174 2.067 2.337 . 0 0 "[ . 1 . 2]" 1
622 1 115 LEU HB3 1 116 VAL H . . 3.960 2.958 2.589 3.464 . 0 0 "[ . 1 . 2]" 1
623 1 115 LEU HB3 1 124 ALA MB . . 4.430 2.424 2.048 2.859 . 0 0 "[ . 1 . 2]" 1
624 1 115 LEU QD 1 116 VAL H . . 5.100 4.122 4.013 4.237 . 0 0 "[ . 1 . 2]" 1
625 1 115 LEU QD 1 118 GLN H . . 4.710 4.478 4.133 4.693 . 0 0 "[ . 1 . 2]" 1
626 1 115 LEU QD 1 119 TYR QE . . 3.430 2.471 2.034 3.432 0.002 18 0 "[ . 1 . 2]" 1
627 1 115 LEU HG 1 116 VAL H . . 4.650 4.504 4.134 4.730 0.080 18 0 "[ . 1 . 2]" 1
628 1 116 VAL H 1 116 VAL HB . . 3.370 2.563 2.343 2.862 . 0 0 "[ . 1 . 2]" 1
629 1 116 VAL H 1 116 VAL MG1 . . 4.090 3.813 3.714 3.872 . 0 0 "[ . 1 . 2]" 1
630 1 116 VAL H 1 116 VAL MG2 . . 3.400 2.168 1.981 2.380 . 0 0 "[ . 1 . 2]" 1
631 1 116 VAL H 1 117 ALA H . . 3.370 2.695 2.587 2.938 . 0 0 "[ . 1 . 2]" 1
632 1 116 VAL H 1 117 ALA MB . . 4.520 4.402 4.306 4.601 0.081 18 0 "[ . 1 . 2]" 1
633 1 116 VAL H 1 124 ALA MB . . 4.180 3.317 2.913 3.608 . 0 0 "[ . 1 . 2]" 1
634 1 116 VAL HA 1 116 VAL MG1 . . 3.400 2.458 2.293 2.610 . 0 0 "[ . 1 . 2]" 1
635 1 116 VAL HA 1 116 VAL MG2 . . 3.330 2.417 2.232 2.624 . 0 0 "[ . 1 . 2]" 1
636 1 116 VAL HA 1 119 TYR H . . 4.620 3.557 3.320 4.060 . 0 0 "[ . 1 . 2]" 1
637 1 116 VAL HA 1 120 GLY H . . 3.850 2.560 1.994 3.262 . 0 0 "[ . 1 . 2]" 1
638 1 116 VAL HA 1 120 GLY HA2 . . 4.480 3.105 2.448 3.810 . 0 0 "[ . 1 . 2]" 1
639 1 116 VAL HA 1 121 GLU H . . 4.500 4.335 3.718 4.608 0.108 11 0 "[ . 1 . 2]" 1
640 1 116 VAL HA 1 121 GLU HA . . 4.580 3.973 3.075 4.638 0.058 12 0 "[ . 1 . 2]" 1
641 1 116 VAL HA 1 124 ALA MB . . 3.690 2.388 2.096 2.767 . 0 0 "[ . 1 . 2]" 1
642 1 116 VAL HB 1 117 ALA H . . 3.860 3.068 2.706 3.471 . 0 0 "[ . 1 . 2]" 1
643 1 116 VAL HB 1 124 ALA MB . . 5.010 4.386 4.019 4.896 . 0 0 "[ . 1 . 2]" 1
644 1 116 VAL MG1 1 117 ALA H . . 4.550 3.813 3.369 4.211 . 0 0 "[ . 1 . 2]" 1
645 1 116 VAL MG1 1 117 ALA HA . . 4.650 3.896 3.436 4.275 . 0 0 "[ . 1 . 2]" 1
646 1 116 VAL MG1 1 117 ALA MB . . 5.230 4.396 3.755 4.724 . 0 0 "[ . 1 . 2]" 1
647 1 116 VAL MG1 1 120 GLY H . . 4.960 3.670 3.286 4.336 . 0 0 "[ . 1 . 2]" 1
648 1 116 VAL MG1 1 120 GLY HA3 . . 5.080 3.997 3.425 5.046 . 0 0 "[ . 1 . 2]" 1
649 1 116 VAL MG1 1 121 GLU H . . 4.070 3.112 2.225 4.045 . 0 0 "[ . 1 . 2]" 1
650 1 116 VAL MG1 1 121 GLU HA . . 3.680 3.371 2.502 3.788 0.108 20 0 "[ . 1 . 2]" 1
651 1 116 VAL MG1 1 121 GLU QB . . 4.240 3.679 2.671 4.354 0.114 12 0 "[ . 1 . 2]" 1
652 1 116 VAL MG1 1 121 GLU HG2 . . 4.490 3.488 2.207 4.534 0.044 7 0 "[ . 1 . 2]" 1
653 1 116 VAL MG1 1 121 GLU HG3 . . 4.430 3.495 2.106 4.558 0.128 18 0 "[ . 1 . 2]" 1
654 1 116 VAL MG1 1 124 ALA MB . . 3.970 3.595 3.233 4.003 0.033 1 0 "[ . 1 . 2]" 1
655 1 116 VAL MG2 1 117 ALA H . . 4.440 4.056 3.859 4.200 . 0 0 "[ . 1 . 2]" 1
656 1 116 VAL MG2 1 121 GLU H . . 5.110 4.255 3.443 5.006 . 0 0 "[ . 1 . 2]" 1
657 1 116 VAL MG2 1 121 GLU HA . . 3.390 2.894 2.081 3.478 0.088 3 0 "[ . 1 . 2]" 1
658 1 116 VAL MG2 1 121 GLU QB . . 4.670 3.999 2.238 4.774 0.104 20 0 "[ . 1 . 2]" 1
659 1 116 VAL MG2 1 121 GLU HG2 . . 4.960 3.699 2.775 4.833 . 0 0 "[ . 1 . 2]" 1
660 1 116 VAL MG2 1 121 GLU HG3 . . 4.740 4.198 2.081 5.041 0.301 9 0 "[ . 1 . 2]" 1
661 1 116 VAL MG2 1 124 ALA MB . . 3.730 2.415 2.059 3.007 . 0 0 "[ . 1 . 2]" 1
662 1 117 ALA H 1 117 ALA MB . . 2.790 2.275 2.227 2.396 . 0 0 "[ . 1 . 2]" 1
663 1 117 ALA H 1 119 TYR H . . 4.620 4.297 3.823 4.611 . 0 0 "[ . 1 . 2]" 1
664 1 117 ALA H 1 124 ALA MB . . 4.780 4.830 4.585 4.885 0.105 1 0 "[ . 1 . 2]" 1
665 1 117 ALA MB 1 118 GLN H . . 3.600 2.712 2.337 3.303 . 0 0 "[ . 1 . 2]" 1
666 1 117 ALA MB 1 118 GLN HA . . 4.710 3.979 3.727 4.263 . 0 0 "[ . 1 . 2]" 1
667 1 117 ALA MB 1 118 GLN QE . . 4.650 3.938 2.693 4.657 0.007 17 0 "[ . 1 . 2]" 1
668 1 117 ALA MB 1 118 GLN HG2 . . 3.730 3.391 2.894 3.790 0.060 16 0 "[ . 1 . 2]" 1
669 1 117 ALA MB 1 119 TYR H . . 4.820 4.805 4.562 4.929 0.109 16 0 "[ . 1 . 2]" 1
670 1 118 GLN H 1 118 GLN HB2 . . 3.270 2.360 2.244 2.496 . 0 0 "[ . 1 . 2]" 1
671 1 118 GLN H 1 118 GLN HB3 . . 3.540 3.572 3.531 3.613 0.073 2 0 "[ . 1 . 2]" 1
672 1 118 GLN H 1 118 GLN HG2 . . 4.110 2.580 2.208 3.204 . 0 0 "[ . 1 . 2]" 1
673 1 118 GLN H 1 118 GLN HG3 . . 3.770 3.557 3.120 3.848 0.078 6 0 "[ . 1 . 2]" 1
674 1 118 GLN H 1 119 TYR H . . 3.300 2.663 1.952 2.981 . 0 0 "[ . 1 . 2]" 1
675 1 118 GLN H 1 119 TYR QD . . 4.610 4.214 3.635 4.663 0.053 7 0 "[ . 1 . 2]" 1
676 1 118 GLN H 1 120 GLY H . . 5.030 4.235 3.177 5.085 0.055 1 0 "[ . 1 . 2]" 1
677 1 118 GLN HA 1 118 GLN QE . . 4.620 2.806 1.784 3.635 . 0 0 "[ . 1 . 2]" 1
678 1 118 GLN HA 1 118 GLN HG2 . . 4.260 2.822 2.527 3.368 . 0 0 "[ . 1 . 2]" 1
679 1 118 GLN HA 1 118 GLN HG3 . . 4.110 3.752 3.678 3.807 . 0 0 "[ . 1 . 2]" 1
680 1 118 GLN HB2 1 119 TYR H . . 3.970 2.511 2.185 2.768 . 0 0 "[ . 1 . 2]" 1
681 1 118 GLN HB2 1 119 TYR QD . . 4.200 2.486 2.241 2.900 . 0 0 "[ . 1 . 2]" 1
682 1 118 GLN HB2 1 119 TYR QE . . 3.650 3.170 2.864 3.366 . 0 0 "[ . 1 . 2]" 1
683 1 118 GLN HB3 1 119 TYR H . . 3.890 3.383 3.130 3.656 . 0 0 "[ . 1 . 2]" 1
684 1 118 GLN HB3 1 119 TYR QD . . 4.130 3.178 2.873 3.573 . 0 0 "[ . 1 . 2]" 1
685 1 118 GLN HG2 1 119 TYR H . . 4.740 4.520 4.144 4.691 . 0 0 "[ . 1 . 2]" 1
686 1 118 GLN HG3 1 119 TYR H . . 4.830 4.761 4.387 4.910 0.080 18 0 "[ . 1 . 2]" 1
687 1 118 GLN HG3 1 119 TYR QE . . 4.920 3.695 3.055 4.279 . 0 0 "[ . 1 . 2]" 1
688 1 119 TYR H 1 119 TYR HB2 . . 3.820 2.544 2.288 2.843 . 0 0 "[ . 1 . 2]" 1
689 1 119 TYR H 1 119 TYR QD . . 3.840 2.672 2.294 3.056 . 0 0 "[ . 1 . 2]" 1
690 1 119 TYR H 1 119 TYR QE . . 4.490 4.573 4.507 4.593 0.103 20 0 "[ . 1 . 2]" 1
691 1 119 TYR H 1 120 GLY HA2 . . 4.610 4.588 4.260 4.680 0.070 13 0 "[ . 1 . 2]" 1
692 1 119 TYR H 1 124 ALA MB . . 4.950 3.587 3.038 4.177 . 0 0 "[ . 1 . 2]" 1
693 1 119 TYR HA 1 119 TYR QD . . 3.460 2.889 2.264 3.235 . 0 0 "[ . 1 . 2]" 1
694 1 119 TYR HA 1 123 ARG QB . . 4.650 3.932 3.441 4.439 . 0 0 "[ . 1 . 2]" 1
695 1 119 TYR HB2 1 120 GLY H . . 4.570 2.895 1.869 3.641 . 0 0 "[ . 1 . 2]" 1
696 1 119 TYR HB2 1 124 ALA H . . 4.370 2.926 2.496 3.547 . 0 0 "[ . 1 . 2]" 1
697 1 119 TYR HB2 1 124 ALA MB . . 4.390 2.711 2.146 3.504 . 0 0 "[ . 1 . 2]" 1
698 1 119 TYR HB3 1 123 ARG QB . . 4.030 2.036 1.965 2.280 . 0 0 "[ . 1 . 2]" 1
699 1 119 TYR HB3 1 123 ARG QD . . 4.630 3.997 3.250 4.734 0.104 11 0 "[ . 1 . 2]" 1
700 1 119 TYR HB3 1 123 ARG HG2 . . 4.740 3.798 2.620 4.380 . 0 0 "[ . 1 . 2]" 1
701 1 119 TYR HB3 1 123 ARG HG3 . . 4.730 4.585 3.219 4.826 0.096 1 0 "[ . 1 . 2]" 1
702 1 119 TYR HB3 1 124 ALA MB . . 4.720 4.048 3.335 4.801 0.081 19 0 "[ . 1 . 2]" 1
703 1 119 TYR QD 1 123 ARG QB . . 4.310 2.603 2.010 3.194 . 0 0 "[ . 1 . 2]" 1
704 1 119 TYR QD 1 123 ARG QD . . 4.260 4.333 4.106 4.399 0.139 3 0 "[ . 1 . 2]" 1
705 1 119 TYR QD 1 123 ARG HG2 . . 4.890 3.309 2.668 4.142 . 0 0 "[ . 1 . 2]" 1
706 1 119 TYR QD 1 123 ARG HG3 . . 4.820 4.285 2.383 4.964 0.144 9 0 "[ . 1 . 2]" 1
707 1 119 TYR QD 1 124 ALA HA . . 4.300 3.368 2.573 4.367 0.067 17 0 "[ . 1 . 2]" 1
708 1 119 TYR QD 1 124 ALA MB . . 4.510 3.494 2.882 4.426 . 0 0 "[ . 1 . 2]" 1
709 1 119 TYR QD 1 127 LEU QD . . 4.290 3.341 2.890 3.780 . 0 0 "[ . 1 . 2]" 1
710 1 119 TYR QE 1 127 LEU QD . . 4.340 2.756 2.458 2.989 . 0 0 "[ . 1 . 2]" 1
711 1 120 GLY H 1 121 GLU H . . 4.200 4.240 4.100 4.291 0.091 19 0 "[ . 1 . 2]" 1
712 1 120 GLY H 1 124 ALA MB . . 4.940 3.160 2.091 3.980 . 0 0 "[ . 1 . 2]" 1
713 1 120 GLY HA3 1 121 GLU H . . 3.360 2.608 2.001 2.972 . 0 0 "[ . 1 . 2]" 1
714 1 120 GLY HA3 1 122 GLN H . . 4.630 3.670 3.290 4.280 . 0 0 "[ . 1 . 2]" 1
715 1 121 GLU H 1 121 GLU QB . . 3.000 2.411 2.003 2.800 . 0 0 "[ . 1 . 2]" 1
716 1 121 GLU H 1 121 GLU HG2 . . 4.010 3.480 1.944 4.203 0.193 20 0 "[ . 1 . 2]" 1
717 1 121 GLU H 1 121 GLU HG3 . . 4.120 2.918 1.854 4.138 0.018 3 0 "[ . 1 . 2]" 1
718 1 121 GLU H 1 122 GLN H . . 3.120 2.829 2.018 3.182 0.062 13 0 "[ . 1 . 2]" 1
719 1 121 GLU H 1 124 ALA MB . . 5.060 4.095 3.559 4.541 . 0 0 "[ . 1 . 2]" 1
720 1 121 GLU HA 1 121 GLU HG2 . . 3.970 2.782 2.100 4.187 0.217 8 0 "[ . 1 . 2]" 1
721 1 121 GLU HA 1 121 GLU HG3 . . 4.110 3.238 2.252 3.795 . 0 0 "[ . 1 . 2]" 1
722 1 121 GLU HA 1 124 ALA H . . 4.480 3.777 3.285 4.241 . 0 0 "[ . 1 . 2]" 1
723 1 121 GLU HA 1 124 ALA MB . . 3.800 2.388 1.953 2.826 . 0 0 "[ . 1 . 2]" 1
724 1 121 GLU QB 1 122 GLN H . . 3.640 3.135 2.480 3.736 0.096 8 0 "[ . 1 . 2]" 1
725 1 122 GLN H 1 122 GLN HB2 . . 2.950 2.285 2.092 2.517 . 0 0 "[ . 1 . 2]" 1
726 1 122 GLN H 1 122 GLN HB3 . . 3.470 3.460 2.718 3.559 0.089 19 0 "[ . 1 . 2]" 1
727 1 122 GLN H 1 122 GLN QG . . 3.620 2.929 2.194 3.717 0.097 12 0 "[ . 1 . 2]" 1
728 1 122 GLN H 1 124 ALA H . . 4.590 3.767 3.292 3.986 . 0 0 "[ . 1 . 2]" 1
729 1 122 GLN HA 1 122 GLN QG . . 3.260 2.462 2.062 2.934 . 0 0 "[ . 1 . 2]" 1
730 1 122 GLN HA 1 123 ARG QD . . 4.440 4.477 4.157 4.550 0.110 12 0 "[ . 1 . 2]" 1
731 1 122 GLN HA 1 125 TRP QB . . 4.590 4.373 3.810 4.680 0.090 6 0 "[ . 1 . 2]" 1
732 1 122 GLN HA 1 126 ASP H . . 4.260 3.865 3.574 4.311 0.051 6 0 "[ . 1 . 2]" 1
733 1 122 GLN HB2 1 123 ARG H . . 3.780 2.310 1.873 3.488 . 0 0 "[ . 1 . 2]" 1
734 1 122 GLN HB2 1 124 ALA H . . 4.340 4.463 4.116 5.256 0.916 12 2 "[ . 1 + -. 2]" 1
735 1 122 GLN HB3 1 123 ARG H . . 3.810 2.580 2.012 2.924 . 0 0 "[ . 1 . 2]" 1
736 1 122 GLN QG 1 123 ARG H . . 3.970 4.025 3.737 4.065 0.095 18 0 "[ . 1 . 2]" 1
737 1 123 ARG H 1 123 ARG QB . . 3.220 2.312 2.097 2.895 . 0 0 "[ . 1 . 2]" 1
738 1 123 ARG H 1 123 ARG QD . . 4.430 2.447 2.015 3.129 . 0 0 "[ . 1 . 2]" 1
739 1 123 ARG H 1 123 ARG HG2 . . 4.630 3.904 2.194 4.403 . 0 0 "[ . 1 . 2]" 1
740 1 123 ARG H 1 123 ARG HG3 . . 4.560 4.037 3.682 4.380 . 0 0 "[ . 1 . 2]" 1
741 1 123 ARG H 1 124 ALA H . . 3.450 2.716 2.605 2.899 . 0 0 "[ . 1 . 2]" 1
742 1 123 ARG H 1 124 ALA MB . . 4.970 4.436 4.231 4.646 . 0 0 "[ . 1 . 2]" 1
743 1 123 ARG HA 1 123 ARG QD . . 3.660 2.513 1.918 2.969 . 0 0 "[ . 1 . 2]" 1
744 1 123 ARG HA 1 123 ARG HG3 . . 4.290 2.629 2.261 3.891 . 0 0 "[ . 1 . 2]" 1
745 1 123 ARG HA 1 126 ASP HB2 . . 3.400 3.249 1.990 3.520 0.120 11 0 "[ . 1 . 2]" 1
746 1 123 ARG HA 1 126 ASP HB3 . . 3.440 2.384 1.896 3.482 0.042 10 0 "[ . 1 . 2]" 1
747 1 123 ARG HA 1 127 LEU HB3 . . 4.270 3.477 2.673 4.333 0.063 8 0 "[ . 1 . 2]" 1
748 1 123 ARG QB 1 123 ARG QD . . 3.400 2.360 2.189 2.861 . 0 0 "[ . 1 . 2]" 1
749 1 123 ARG QB 1 124 ALA H . . 3.840 3.142 2.920 3.542 . 0 0 "[ . 1 . 2]" 1
750 1 123 ARG QD 1 124 ALA H . . 4.590 4.510 4.104 4.675 0.085 10 0 "[ . 1 . 2]" 1
751 1 123 ARG QD 1 126 ASP HB2 . . 4.510 4.002 2.816 4.585 0.075 4 0 "[ . 1 . 2]" 1
752 1 123 ARG QD 1 127 LEU H . . 5.130 4.785 3.653 5.203 0.073 5 0 "[ . 1 . 2]" 1
753 1 123 ARG QD 1 127 LEU QD . . 5.030 4.602 3.005 5.019 . 0 0 "[ . 1 . 2]" 1
754 1 123 ARG HG2 1 127 LEU HB2 . . 4.390 4.395 3.488 5.211 0.821 5 4 "[ + *- . * 2]" 1
755 1 123 ARG HG2 1 127 LEU QD . . 4.850 3.773 3.202 4.681 . 0 0 "[ . 1 . 2]" 1
756 1 123 ARG HG3 1 127 LEU QD . . 4.640 3.494 3.098 3.908 . 0 0 "[ . 1 . 2]" 1
757 1 124 ALA H 1 124 ALA MB . . 3.230 2.269 2.160 2.356 . 0 0 "[ . 1 . 2]" 1
758 1 124 ALA H 1 125 TRP H . . 3.680 2.758 2.598 2.870 . 0 0 "[ . 1 . 2]" 1
759 1 124 ALA HA 1 127 LEU H . . 4.520 4.557 4.333 4.608 0.088 5 0 "[ . 1 . 2]" 1
760 1 124 ALA HA 1 127 LEU QD . . 4.420 4.272 3.757 4.394 . 0 0 "[ . 1 . 2]" 1
761 1 124 ALA MB 1 125 TRP H . . 3.830 3.007 2.172 3.288 . 0 0 "[ . 1 . 2]" 1
762 1 125 TRP H 1 125 TRP QB . . 3.220 2.517 2.144 2.699 . 0 0 "[ . 1 . 2]" 1
763 1 125 TRP H 1 126 ASP H . . 3.540 2.256 2.036 2.727 . 0 0 "[ . 1 . 2]" 1
764 1 125 TRP HA 1 125 TRP HD1 . . 4.620 4.484 4.380 4.592 . 0 0 "[ . 1 . 2]" 1
765 1 125 TRP HA 1 125 TRP HE3 . . 4.330 2.139 1.980 2.406 . 0 0 "[ . 1 . 2]" 1
766 1 125 TRP HA 1 127 LEU H . . 4.190 4.213 4.089 4.273 0.083 7 0 "[ . 1 . 2]" 1
767 1 125 TRP HA 1 128 ALA H . . 4.370 3.447 3.120 3.681 . 0 0 "[ . 1 . 2]" 1
768 1 125 TRP HA 1 128 ALA MB . . 3.830 2.157 2.036 2.318 . 0 0 "[ . 1 . 2]" 1
769 1 125 TRP HA 1 129 LEU H . . 4.710 3.727 3.514 3.949 . 0 0 "[ . 1 . 2]" 1
770 1 125 TRP QB 1 126 ASP H . . 3.480 2.534 2.361 2.684 . 0 0 "[ . 1 . 2]" 1
771 1 125 TRP HD1 1 126 ASP H . . 4.690 4.729 4.217 4.771 0.081 5 0 "[ . 1 . 2]" 1
772 1 125 TRP HD1 1 129 LEU QD . . 3.800 2.646 2.250 3.095 . 0 0 "[ . 1 . 2]" 1
773 1 125 TRP HD1 1 129 LEU HG . . 4.910 4.824 4.162 5.003 0.093 11 0 "[ . 1 . 2]" 1
774 1 125 TRP HE1 1 129 LEU QD . . 3.980 2.787 2.438 3.076 . 0 0 "[ . 1 . 2]" 1
775 1 125 TRP HE1 1 144 ALA MB . . 4.520 2.337 1.825 3.340 . 0 0 "[ . 1 . 2]" 1
776 1 125 TRP HH2 1 144 ALA MB . . 4.320 4.200 3.488 4.431 0.111 17 0 "[ . 1 . 2]" 1
777 1 125 TRP HZ2 1 144 ALA MB . . 3.930 2.488 2.076 2.725 . 0 0 "[ . 1 . 2]" 1
778 1 126 ASP H 1 126 ASP HB2 . . 3.560 2.275 2.040 2.528 . 0 0 "[ . 1 . 2]" 1
779 1 126 ASP H 1 126 ASP HB3 . . 3.370 2.863 2.347 3.606 0.236 3 0 "[ . 1 . 2]" 1
780 1 126 ASP H 1 127 LEU H . . 3.550 3.085 2.816 3.297 . 0 0 "[ . 1 . 2]" 1
781 1 126 ASP H 1 129 LEU QB . . 4.890 4.884 4.644 4.995 0.105 11 0 "[ . 1 . 2]" 1
782 1 126 ASP HA 1 129 LEU H . . 4.470 3.782 3.533 4.150 . 0 0 "[ . 1 . 2]" 1
783 1 126 ASP HA 1 129 LEU QB . . 3.690 2.958 2.622 3.783 0.093 11 0 "[ . 1 . 2]" 1
784 1 126 ASP HA 1 129 LEU QD . . 3.820 2.888 2.120 3.566 . 0 0 "[ . 1 . 2]" 1
785 1 126 ASP HB2 1 127 LEU H . . 3.970 3.808 2.646 4.050 0.080 16 0 "[ . 1 . 2]" 1
786 1 126 ASP HB3 1 127 LEU H . . 4.160 2.928 2.510 3.762 . 0 0 "[ . 1 . 2]" 1
787 1 127 LEU H 1 127 LEU HB2 . . 3.910 2.896 2.196 3.471 . 0 0 "[ . 1 . 2]" 1
788 1 127 LEU H 1 127 LEU HB3 . . 3.660 2.329 2.057 2.680 . 0 0 "[ . 1 . 2]" 1
789 1 127 LEU H 1 127 LEU QD . . 4.140 3.674 3.473 3.746 . 0 0 "[ . 1 . 2]" 1
790 1 127 LEU H 1 128 ALA H . . 3.730 2.207 1.982 2.374 . 0 0 "[ . 1 . 2]" 1
791 1 127 LEU H 1 128 ALA MB . . 4.930 3.787 3.429 4.063 . 0 0 "[ . 1 . 2]" 1
792 1 127 LEU HA 1 127 LEU QD . . 3.100 2.691 2.397 2.964 . 0 0 "[ . 1 . 2]" 1
793 1 127 LEU HA 1 130 HIS H . . 4.290 3.546 3.111 3.961 . 0 0 "[ . 1 . 2]" 1
794 1 127 LEU HA 1 130 HIS QB . . 3.840 2.971 2.248 3.695 . 0 0 "[ . 1 . 2]" 1
795 1 127 LEU HB2 1 128 ALA H . . 4.000 3.921 3.415 4.090 0.090 5 0 "[ . 1 . 2]" 1
796 1 127 LEU HB3 1 128 ALA H . . 3.880 2.895 2.380 3.288 . 0 0 "[ . 1 . 2]" 1
797 1 127 LEU HB3 1 128 ALA MB . . 5.110 4.289 3.659 4.915 . 0 0 "[ . 1 . 2]" 1
798 1 127 LEU QD 1 128 ALA H . . 4.720 3.490 3.342 3.738 . 0 0 "[ . 1 . 2]" 1
799 1 127 LEU QD 1 128 ALA MB . . 4.180 3.984 3.814 4.135 . 0 0 "[ . 1 . 2]" 1
800 1 127 LEU QD 1 130 HIS H . . 4.930 4.399 3.975 4.883 . 0 0 "[ . 1 . 2]" 1
801 1 127 LEU QD 1 130 HIS QB . . 4.360 3.370 2.822 3.898 . 0 0 "[ . 1 . 2]" 1
802 1 127 LEU QD 1 130 HIS HD2 . . 4.840 3.601 2.381 4.393 . 0 0 "[ . 1 . 2]" 1
803 1 127 LEU HG 1 128 ALA H . . 5.500 3.698 2.599 5.245 . 0 0 "[ . 1 . 2]" 1
804 1 128 ALA H 1 128 ALA MB . . 3.350 2.146 1.941 2.329 . 0 0 "[ . 1 . 2]" 1
805 1 128 ALA H 1 129 LEU H . . 3.920 2.838 2.447 3.082 . 0 0 "[ . 1 . 2]" 1
806 1 128 ALA MB 1 129 LEU H . . 3.730 2.593 2.033 2.850 . 0 0 "[ . 1 . 2]" 1
807 1 128 ALA MB 1 129 LEU QD . . 3.310 3.275 3.008 3.420 0.110 11 0 "[ . 1 . 2]" 1
808 1 128 ALA MB 1 130 HIS H . . 5.050 4.642 4.242 4.995 . 0 0 "[ . 1 . 2]" 1
809 1 129 LEU H 1 129 LEU QB . . 3.220 2.145 1.964 2.244 . 0 0 "[ . 1 . 2]" 1
810 1 129 LEU H 1 129 LEU QD . . 4.210 2.620 2.321 2.983 . 0 0 "[ . 1 . 2]" 1
811 1 129 LEU H 1 129 LEU HG . . 3.980 3.612 2.530 4.066 0.086 13 0 "[ . 1 . 2]" 1
812 1 129 LEU H 1 130 HIS H . . 4.110 2.854 2.613 3.075 . 0 0 "[ . 1 . 2]" 1
813 1 129 LEU H 1 131 THR H . . 4.470 4.181 3.993 4.542 0.072 18 0 "[ . 1 . 2]" 1
814 1 129 LEU HA 1 129 LEU QD . . 3.400 2.361 1.985 3.278 . 0 0 "[ . 1 . 2]" 1
815 1 129 LEU QB 1 130 HIS H . . 3.480 2.702 2.290 3.521 0.041 11 0 "[ . 1 . 2]" 1
816 1 129 LEU QD 1 130 HIS H . . 4.840 4.056 3.220 4.346 . 0 0 "[ . 1 . 2]" 1
817 1 129 LEU QD 1 141 CYS HA . . 3.790 2.494 2.019 3.065 . 0 0 "[ . 1 . 2]" 1
818 1 129 LEU QD 1 141 CYS QB . . 4.720 3.442 2.211 3.825 . 0 0 "[ . 1 . 2]" 1
819 1 129 LEU QD 1 144 ALA HA . . 4.420 4.106 3.876 4.374 . 0 0 "[ . 1 . 2]" 1
820 1 129 LEU QD 1 145 GLN H . . 4.820 4.237 3.451 4.599 . 0 0 "[ . 1 . 2]" 1
821 1 129 LEU QD 1 145 GLN HA . . 4.990 4.468 3.893 4.780 . 0 0 "[ . 1 . 2]" 1
822 1 129 LEU QD 1 145 GLN HE21 . . 4.650 2.538 1.929 3.572 . 0 0 "[ . 1 . 2]" 1
823 1 129 LEU QD 1 145 GLN HE22 . . 4.650 2.885 2.173 4.215 . 0 0 "[ . 1 . 2]" 1
824 1 129 LEU QD 1 145 GLN HG2 . . 4.510 3.180 1.970 3.930 . 0 0 "[ . 1 . 2]" 1
825 1 129 LEU QD 1 145 GLN HG3 . . 4.230 2.310 1.997 3.284 . 0 0 "[ . 1 . 2]" 1
826 1 130 HIS H 1 130 HIS QB . . 3.090 2.174 2.031 2.386 . 0 0 "[ . 1 . 2]" 1
827 1 130 HIS H 1 131 THR H . . 4.010 2.763 2.451 2.978 . 0 0 "[ . 1 . 2]" 1
828 1 130 HIS HA 1 130 HIS HD2 . . 4.550 4.075 3.593 4.383 . 0 0 "[ . 1 . 2]" 1
829 1 130 HIS HA 1 133 GLU H . . 4.320 3.506 3.103 4.037 . 0 0 "[ . 1 . 2]" 1
830 1 130 HIS HA 1 133 GLU QB . . 4.100 3.084 2.537 3.805 . 0 0 "[ . 1 . 2]" 1
831 1 130 HIS QB 1 130 HIS HD2 . . 3.680 2.798 2.667 3.042 . 0 0 "[ . 1 . 2]" 1
832 1 130 HIS QB 1 131 THR H . . 3.780 2.917 2.415 3.713 . 0 0 "[ . 1 . 2]" 1
833 1 130 HIS HD2 1 131 THR HB . . 4.550 4.427 3.968 4.633 0.083 20 0 "[ . 1 . 2]" 1
834 1 130 HIS HD2 1 132 TRP H . . 4.650 4.738 4.717 4.746 0.096 17 0 "[ . 1 . 2]" 1
835 1 131 THR H 1 131 THR HB . . 3.880 2.542 1.984 3.512 . 0 0 "[ . 1 . 2]" 1
836 1 131 THR H 1 132 TRP H . . 3.550 2.708 2.487 3.204 . 0 0 "[ . 1 . 2]" 1
837 1 131 THR HA 1 131 THR MG . . 3.630 2.482 2.288 2.975 . 0 0 "[ . 1 . 2]" 1
838 1 131 THR HA 1 134 GLN QB . . 3.800 2.971 2.125 3.866 0.066 5 0 "[ . 1 . 2]" 1
839 1 131 THR HB 1 132 TRP H . . 4.140 3.197 2.632 4.016 . 0 0 "[ . 1 . 2]" 1
840 1 131 THR MG 1 132 TRP H . . 4.850 3.901 3.134 4.325 . 0 0 "[ . 1 . 2]" 1
841 1 131 THR MG 1 134 GLN QB . . 4.780 3.380 2.667 4.574 . 0 0 "[ . 1 . 2]" 1
842 1 131 THR MG 1 135 MET HG3 . . 4.970 3.449 2.339 4.662 . 0 0 "[ . 1 . 2]" 1
843 1 132 TRP H 1 132 TRP QB . . 3.880 2.429 2.178 2.797 . 0 0 "[ . 1 . 2]" 1
844 1 132 TRP H 1 133 GLU H . . 3.680 2.516 2.367 2.747 . 0 0 "[ . 1 . 2]" 1
845 1 132 TRP H 1 135 MET H . . 5.170 4.935 4.493 5.247 0.077 9 0 "[ . 1 . 2]" 1
846 1 132 TRP HA 1 135 MET H . . 4.460 3.236 2.417 3.809 . 0 0 "[ . 1 . 2]" 1
847 1 132 TRP HA 1 135 MET ME . . 4.190 3.782 3.021 4.275 0.085 8 0 "[ . 1 . 2]" 1
848 1 132 TRP QB 1 133 GLU H . . 3.970 3.040 2.469 3.664 . 0 0 "[ . 1 . 2]" 1
849 1 132 TRP QB 1 137 LEU H . . 4.660 3.704 2.908 4.578 . 0 0 "[ . 1 . 2]" 1
850 1 133 GLU H 1 133 GLU QB . . 3.350 2.159 1.988 2.341 . 0 0 "[ . 1 . 2]" 1
851 1 133 GLU H 1 134 GLN H . . 3.600 2.571 2.406 2.922 . 0 0 "[ . 1 . 2]" 1
852 1 133 GLU HA 1 133 GLU HG2 . . 3.800 3.085 2.181 4.233 0.433 1 0 "[ . 1 . 2]" 1
853 1 133 GLU HA 1 135 MET H . . 5.220 4.629 3.893 5.097 . 0 0 "[ . 1 . 2]" 1
854 1 133 GLU QB 1 134 GLN H . . 3.570 2.857 2.256 3.441 . 0 0 "[ . 1 . 2]" 1
855 1 134 GLN H 1 134 GLN QB . . 2.920 2.324 1.854 2.611 . 0 0 "[ . 1 . 2]" 1
856 1 134 GLN H 1 134 GLN QG . . 3.430 2.663 1.941 3.540 0.110 10 0 "[ . 1 . 2]" 1
857 1 134 GLN H 1 135 MET H . . 3.650 2.827 2.502 3.135 . 0 0 "[ . 1 . 2]" 1
858 1 134 GLN HA 1 134 GLN QG . . 3.590 2.604 2.147 3.194 . 0 0 "[ . 1 . 2]" 1
859 1 134 GLN HA 1 136 GLY H . . 5.060 4.285 3.642 4.888 . 0 0 "[ . 1 . 2]" 1
860 1 134 GLN QB 1 135 MET H . . 3.320 2.618 2.182 3.192 . 0 0 "[ . 1 . 2]" 1
861 1 135 MET H 1 135 MET HB2 . . 4.190 2.388 2.248 2.639 . 0 0 "[ . 1 . 2]" 1
862 1 135 MET H 1 135 MET HB3 . . 3.640 3.561 3.448 3.670 0.030 9 0 "[ . 1 . 2]" 1
863 1 135 MET H 1 135 MET ME . . 4.250 4.345 4.272 4.373 0.123 8 0 "[ . 1 . 2]" 1
864 1 135 MET H 1 135 MET HG2 . . 4.730 3.459 2.495 4.247 . 0 0 "[ . 1 . 2]" 1
865 1 135 MET H 1 135 MET HG3 . . 3.850 2.553 2.126 3.045 . 0 0 "[ . 1 . 2]" 1
866 1 135 MET HA 1 135 MET ME . . 4.780 4.227 3.824 4.463 . 0 0 "[ . 1 . 2]" 1
867 1 135 MET HA 1 135 MET HG2 . . 3.470 2.628 2.316 3.029 . 0 0 "[ . 1 . 2]" 1
868 1 135 MET HA 1 135 MET HG3 . . 3.930 3.058 2.320 3.553 . 0 0 "[ . 1 . 2]" 1
869 1 135 MET HA 1 137 LEU QD . . 4.880 3.843 3.700 4.306 . 0 0 "[ . 1 . 2]" 1
870 1 135 MET HB2 1 135 MET ME . . 3.020 2.551 2.432 2.730 . 0 0 "[ . 1 . 2]" 1
871 1 135 MET HB2 1 136 GLY H . . 4.250 3.151 2.362 3.555 . 0 0 "[ . 1 . 2]" 1
872 1 135 MET HB2 1 137 LEU H . . 4.390 3.091 2.610 3.601 . 0 0 "[ . 1 . 2]" 1
873 1 135 MET HB3 1 135 MET ME . . 3.040 2.298 2.014 2.680 . 0 0 "[ . 1 . 2]" 1
874 1 135 MET HB3 1 137 LEU QD . . 4.530 2.159 2.010 2.727 . 0 0 "[ . 1 . 2]" 1
875 1 135 MET ME 1 137 LEU QD . . 3.190 2.002 1.797 2.246 . 0 0 "[ . 1 . 2]" 1
876 1 135 MET ME 1 140 LEU QD . . 5.450 3.862 2.984 4.684 . 0 0 "[ . 1 . 2]" 1
877 1 135 MET ME 1 140 LEU HG . . 5.200 4.921 3.895 5.311 0.111 7 0 "[ . 1 . 2]" 1
878 1 136 GLY H 1 137 LEU H . . 3.100 2.513 1.748 2.818 . 0 0 "[ . 1 . 2]" 1
879 1 136 GLY H 1 137 LEU QD . . 5.010 3.594 2.596 3.923 . 0 0 "[ . 1 . 2]" 1
880 1 136 GLY HA3 1 137 LEU QD . . 5.000 3.604 2.786 4.056 . 0 0 "[ . 1 . 2]" 1
881 1 137 LEU H 1 137 LEU QD . . 3.870 2.307 1.729 3.000 . 0 0 "[ . 1 . 2]" 1
882 1 137 LEU HA 1 137 LEU QD . . 2.950 2.218 1.981 2.903 . 0 0 "[ . 1 . 2]" 1
883 1 137 LEU HA 1 138 ARG H . . 3.120 2.319 2.141 2.479 . 0 0 "[ . 1 . 2]" 1
884 1 137 LEU HA 1 138 ARG HA . . 4.430 4.486 4.386 4.507 0.077 5 0 "[ . 1 . 2]" 1
885 1 137 LEU HA 1 138 ARG QB . . 4.390 4.164 3.970 4.487 0.097 11 0 "[ . 1 . 2]" 1
886 1 137 LEU HA 1 140 LEU QD . . 4.930 4.160 3.213 4.820 . 0 0 "[ . 1 . 2]" 1
887 1 137 LEU QB 1 140 LEU QD . . 4.700 2.238 1.903 3.170 . 0 0 "[ . 1 . 2]" 1
888 1 137 LEU QB 1 140 LEU HG . . 2.990 2.633 2.122 3.042 0.052 2 0 "[ . 1 . 2]" 1
889 1 137 LEU QD 1 138 ARG H . . 4.020 3.757 3.514 3.994 . 0 0 "[ . 1 . 2]" 1
890 1 137 LEU QD 1 140 LEU QD . . 3.940 2.528 1.881 3.105 . 0 0 "[ . 1 . 2]" 1
891 1 137 LEU HG 1 140 LEU HG . . 3.790 3.329 2.686 3.891 0.101 4 0 "[ . 1 . 2]" 1
892 1 138 ARG H 1 138 ARG QB . . 2.980 2.115 2.025 2.318 . 0 0 "[ . 1 . 2]" 1
893 1 138 ARG H 1 138 ARG QD . . 4.120 4.000 2.201 4.230 0.110 4 0 "[ . 1 . 2]" 1
894 1 138 ARG H 1 138 ARG QG . . 3.880 3.728 3.054 3.955 0.075 8 0 "[ . 1 . 2]" 1
895 1 138 ARG HA 1 138 ARG QD . . 4.120 3.759 2.687 4.019 . 0 0 "[ . 1 . 2]" 1
896 1 138 ARG HA 1 138 ARG QG . . 3.660 2.290 2.072 3.484 . 0 0 "[ . 1 . 2]" 1
897 1 138 ARG HA 1 141 CYS QB . . 4.080 2.851 2.227 3.733 . 0 0 "[ . 1 . 2]" 1
898 1 138 ARG QB 1 138 ARG QD . . 3.050 2.157 2.010 2.463 . 0 0 "[ . 1 . 2]" 1
899 1 138 ARG QB 1 142 ALA MB . . 4.020 4.097 3.499 4.152 0.132 18 0 "[ . 1 . 2]" 1
900 1 138 ARG QG 1 141 CYS QB . . 4.640 3.681 2.300 4.557 . 0 0 "[ . 1 . 2]" 1
901 1 138 ARG QG 1 142 ALA MB . . 3.860 3.470 2.650 3.972 0.112 7 0 "[ . 1 . 2]" 1
902 1 139 SER HA 1 142 ALA MB . . 3.640 2.444 2.063 3.066 . 0 0 "[ . 1 . 2]" 1
903 1 140 LEU H 1 140 LEU HB2 . . 3.670 2.374 1.947 2.589 . 0 0 "[ . 1 . 2]" 1
904 1 140 LEU H 1 140 LEU HB3 . . 3.560 3.542 3.047 3.630 0.070 12 0 "[ . 1 . 2]" 1
905 1 140 LEU H 1 140 LEU QD . . 4.480 2.697 1.927 3.372 . 0 0 "[ . 1 . 2]" 1
906 1 140 LEU H 1 140 LEU HG . . 4.550 3.274 2.188 4.383 . 0 0 "[ . 1 . 2]" 1
907 1 140 LEU H 1 141 CYS H . . 4.070 2.612 2.079 2.987 . 0 0 "[ . 1 . 2]" 1
908 1 140 LEU H 1 142 ALA MB . . 5.400 4.513 4.169 4.931 . 0 0 "[ . 1 . 2]" 1
909 1 140 LEU HA 1 140 LEU QD . . 3.330 2.099 1.992 2.313 . 0 0 "[ . 1 . 2]" 1
910 1 140 LEU HA 1 143 GLN H . . 4.330 3.772 3.333 4.372 0.042 8 0 "[ . 1 . 2]" 1
911 1 140 LEU HA 1 143 GLN HB2 . . 3.780 3.239 2.350 4.112 0.332 10 0 "[ . 1 . 2]" 1
912 1 140 LEU HB2 1 141 CYS H . . 3.570 2.506 2.139 2.965 . 0 0 "[ . 1 . 2]" 1
913 1 140 LEU HB2 1 141 CYS QB . . 4.300 4.058 3.727 4.562 0.262 8 0 "[ . 1 . 2]" 1
914 1 140 LEU HB3 1 141 CYS H . . 4.230 3.254 2.015 3.785 . 0 0 "[ . 1 . 2]" 1
915 1 140 LEU QD 1 141 CYS H . . 5.150 3.940 3.525 4.205 . 0 0 "[ . 1 . 2]" 1
916 1 140 LEU QD 1 143 GLN HB2 . . 4.400 4.064 3.156 4.685 0.285 10 0 "[ . 1 . 2]" 1
917 1 140 LEU QD 1 144 ALA MB . . 5.500 4.363 3.614 4.973 . 0 0 "[ . 1 . 2]" 1
918 1 140 LEU HG 1 141 CYS H . . 4.770 4.536 4.178 4.843 0.073 9 0 "[ . 1 . 2]" 1
919 1 141 CYS H 1 142 ALA H . . 4.070 2.704 2.326 2.953 . 0 0 "[ . 1 . 2]" 1
920 1 141 CYS H 1 144 ALA MB . . 4.840 4.548 4.242 4.943 0.103 8 0 "[ . 1 . 2]" 1
921 1 141 CYS HA 1 144 ALA MB . . 3.870 2.590 2.243 2.988 . 0 0 "[ . 1 . 2]" 1
922 1 141 CYS QB 1 142 ALA H . . 3.670 2.569 2.402 2.833 . 0 0 "[ . 1 . 2]" 1
923 1 141 CYS QB 1 142 ALA HA . . 4.530 4.089 3.714 4.363 . 0 0 "[ . 1 . 2]" 1
924 1 141 CYS QB 1 142 ALA MB . . 4.840 3.791 3.580 3.957 . 0 0 "[ . 1 . 2]" 1
925 1 141 CYS QB 1 145 GLN HE21 . . 5.220 4.164 2.877 4.979 . 0 0 "[ . 1 . 2]" 1
926 1 142 ALA H 1 142 ALA MB . . 2.750 2.185 2.135 2.256 . 0 0 "[ . 1 . 2]" 1
927 1 142 ALA HA 1 145 GLN HE21 . . 4.670 4.130 2.754 4.750 0.080 2 0 "[ . 1 . 2]" 1
928 1 142 ALA HA 1 146 GLU QG . . 4.520 3.453 2.660 4.449 . 0 0 "[ . 1 . 2]" 1
929 1 142 ALA MB 1 143 GLN H . . 3.580 2.250 2.039 2.462 . 0 0 "[ . 1 . 2]" 1
930 1 142 ALA MB 1 143 GLN HB2 . . 4.610 4.167 3.590 4.472 . 0 0 "[ . 1 . 2]" 1
931 1 142 ALA MB 1 144 ALA H . . 4.720 4.324 4.132 4.493 . 0 0 "[ . 1 . 2]" 1
932 1 142 ALA MB 1 146 GLU QB . . 4.770 3.788 3.029 4.767 . 0 0 "[ . 1 . 2]" 1
933 1 142 ALA MB 1 146 GLU QG . . 5.150 3.291 2.531 4.176 . 0 0 "[ . 1 . 2]" 1
934 1 143 GLN H 1 143 GLN HB2 . . 3.070 2.343 2.134 2.505 . 0 0 "[ . 1 . 2]" 1
935 1 143 GLN H 1 143 GLN QG . . 3.790 2.784 2.302 3.876 0.086 12 0 "[ . 1 . 2]" 1
936 1 143 GLN H 1 144 ALA H . . 3.340 2.884 2.726 3.096 . 0 0 "[ . 1 . 2]" 1
937 1 143 GLN H 1 144 ALA MB . . 4.690 4.515 4.364 4.758 0.068 16 0 "[ . 1 . 2]" 1
938 1 143 GLN HA 1 146 GLU QB . . 4.010 2.691 2.057 4.116 0.106 13 0 "[ . 1 . 2]" 1
939 1 143 GLN HA 1 146 GLU QG . . 4.360 3.433 2.105 4.248 . 0 0 "[ . 1 . 2]" 1
940 1 143 GLN HB2 1 144 ALA H . . 3.350 3.261 2.679 4.211 0.861 4 3 "[ +. - * . 2]" 1
941 1 144 ALA H 1 144 ALA MB . . 2.910 2.222 2.148 2.326 . 0 0 "[ . 1 . 2]" 1
942 1 144 ALA H 1 145 GLN H . . 3.150 2.761 2.392 2.959 . 0 0 "[ . 1 . 2]" 1
943 1 144 ALA MB 1 145 GLN H . . 3.420 3.187 2.699 3.457 0.037 17 0 "[ . 1 . 2]" 1
944 1 144 ALA MB 1 145 GLN HA . . 4.470 4.266 4.118 4.557 0.087 8 0 "[ . 1 . 2]" 1
945 1 144 ALA MB 1 145 GLN HE21 . . 5.180 3.669 2.479 4.348 . 0 0 "[ . 1 . 2]" 1
946 1 144 ALA MB 1 145 GLN HG2 . . 4.600 4.034 3.047 4.699 0.099 16 0 "[ . 1 . 2]" 1
947 1 144 ALA MB 1 145 GLN HG3 . . 4.680 2.850 2.280 3.489 . 0 0 "[ . 1 . 2]" 1
948 1 145 GLN H 1 145 GLN QB . . 3.640 2.658 2.287 3.375 . 0 0 "[ . 1 . 2]" 1
949 1 145 GLN H 1 145 GLN HE21 . . 5.170 4.110 2.132 4.876 . 0 0 "[ . 1 . 2]" 1
950 1 145 GLN H 1 145 GLN HG3 . . 3.800 3.233 2.452 3.798 . 0 0 "[ . 1 . 2]" 1
951 1 145 GLN H 1 146 GLU QB . . 3.420 3.510 3.495 3.522 0.102 8 0 "[ . 1 . 2]" 1
952 1 145 GLN H 1 148 ALA H . . 5.500 4.952 4.272 5.541 0.041 12 0 "[ . 1 . 2]" 1
953 1 145 GLN HA 1 145 GLN HE21 . . 4.810 4.763 3.379 4.903 0.093 8 0 "[ . 1 . 2]" 1
954 1 145 GLN HA 1 145 GLN HG2 . . 3.630 2.612 2.288 3.895 0.265 13 0 "[ . 1 . 2]" 1
955 1 145 GLN HA 1 145 GLN HG3 . . 3.800 2.966 2.249 3.588 . 0 0 "[ . 1 . 2]" 1
956 1 145 GLN QB 1 146 GLU H . . 3.980 3.521 2.113 4.060 0.080 13 0 "[ . 1 . 2]" 1
957 1 146 GLU H 1 146 GLU QB . . 2.820 2.394 1.971 2.878 0.058 10 0 "[ . 1 . 2]" 1
958 1 146 GLU H 1 146 GLU QG . . 3.930 2.937 2.038 3.573 . 0 0 "[ . 1 . 2]" 1
959 1 146 GLU H 1 147 GLY H . . 3.490 2.933 2.158 3.587 0.097 7 0 "[ . 1 . 2]" 1
960 1 146 GLU H 1 148 ALA H . . 3.890 3.410 2.743 3.953 0.063 10 0 "[ . 1 . 2]" 1
961 1 146 GLU H 1 148 ALA MB . . 4.950 4.205 3.240 5.052 0.102 3 0 "[ . 1 . 2]" 1
962 1 146 GLU HA 1 146 GLU QB . . 2.760 2.398 2.114 2.565 . 0 0 "[ . 1 . 2]" 1
963 1 146 GLU HA 1 146 GLU QG . . 3.590 2.422 2.022 3.291 . 0 0 "[ . 1 . 2]" 1
964 1 146 GLU HA 1 147 GLY H . . 3.180 2.820 2.132 3.255 0.075 15 0 "[ . 1 . 2]" 1
965 1 146 GLU HA 1 147 GLY QA . . 4.350 4.033 3.695 4.316 . 0 0 "[ . 1 . 2]" 1
966 1 146 GLU QB 1 147 GLY H . . 3.800 3.775 3.509 3.905 0.105 20 0 "[ . 1 . 2]" 1
967 1 146 GLU QB 1 148 ALA H . . 4.430 4.115 2.894 4.528 0.098 15 0 "[ . 1 . 2]" 1
968 1 147 GLY H 1 148 ALA H . . 3.620 2.591 1.983 3.368 . 0 0 "[ . 1 . 2]" 1
969 1 147 GLY QA 1 148 ALA H . . 3.180 2.855 2.553 3.000 . 0 0 "[ . 1 . 2]" 1
970 1 148 ALA H 1 148 ALA MB . . 3.140 2.430 2.153 3.169 0.029 2 0 "[ . 1 . 2]" 1
971 1 148 ALA H 1 149 GLY H . . 4.070 3.548 2.173 4.163 0.093 16 0 "[ . 1 . 2]" 1
972 1 148 ALA HA 1 149 GLY H . . 3.390 2.842 2.047 3.473 0.083 3 0 "[ . 1 . 2]" 1
973 1 148 ALA MB 1 149 GLY H . . 4.070 2.976 1.851 3.768 . 0 0 "[ . 1 . 2]" 1
974 1 149 GLY QA 1 150 HIS HB2 . . 4.360 4.175 3.655 4.432 0.072 3 0 "[ . 1 . 2]" 1
975 1 150 HIS H 1 150 HIS HB3 . . 4.040 3.624 2.601 4.116 0.076 1 0 "[ . 1 . 2]" 1
976 1 150 HIS HA 1 150 HIS HB2 . . 2.980 2.818 2.365 3.040 0.060 6 0 "[ . 1 . 2]" 1
977 1 150 HIS HA 1 150 HIS HD2 . . 3.900 2.851 2.101 3.966 0.066 20 0 "[ . 1 . 2]" 1
978 1 150 HIS HB3 1 151 SER H . . 4.380 2.642 1.959 4.330 . 0 0 "[ . 1 . 2]" 1
979 1 150 HIS HB3 1 151 SER QB . . 4.560 4.475 3.632 4.665 0.105 10 0 "[ . 1 . 2]" 1
980 1 151 SER H 1 151 SER QB . . 3.690 2.723 2.196 3.520 . 0 0 "[ . 1 . 2]" 1
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