NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550329 |
4ar0   |
18459 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4ar0
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 1081
_Distance_constraint_stats_list.Viol_count 1349
_Distance_constraint_stats_list.Viol_total 2082.172
_Distance_constraint_stats_list.Viol_max 1.216
_Distance_constraint_stats_list.Viol_rms 0.0400
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0772
_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 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.002 0.002 3 0 "[ . 1 . 2]"
1 15 ILE 0.763 0.136 12 0 "[ . 1 . 2]"
1 16 PRO 0.887 0.136 12 0 "[ . 1 . 2]"
1 17 THR 0.308 0.075 13 0 "[ . 1 . 2]"
1 18 THR 0.067 0.044 13 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 2.920 0.335 10 0 "[ . 1 . 2]"
1 21 LEU 3.244 0.335 10 0 "[ . 1 . 2]"
1 22 TYR 0.194 0.096 20 0 "[ . 1 . 2]"
1 23 PHE 0.131 0.069 19 0 "[ . 1 . 2]"
1 24 GLU 0.126 0.069 19 0 "[ . 1 . 2]"
1 26 ALA 0.289 0.112 16 0 "[ . 1 . 2]"
1 27 MET 0.681 0.124 15 0 "[ . 1 . 2]"
1 28 GLY 0.358 0.124 15 0 "[ . 1 . 2]"
1 30 THR 0.012 0.012 10 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 18.319 1.161 15 19 [***********-**+****2]
1 33 LYS 18.309 1.161 15 19 [***********-**+****2]
1 34 ILE 3.214 0.192 19 0 "[ . 1 . 2]"
1 35 SER 0.692 0.192 19 0 "[ . 1 . 2]"
1 36 LEU 0.735 0.209 1 0 "[ . 1 . 2]"
1 37 ASP 0.146 0.093 14 0 "[ . 1 . 2]"
1 38 PHE 0.263 0.249 9 0 "[ . 1 . 2]"
1 39 GLN 0.462 0.249 9 0 "[ . 1 . 2]"
1 40 ASP 0.130 0.033 13 0 "[ . 1 . 2]"
1 41 VAL 1.998 0.311 16 0 "[ . 1 . 2]"
1 42 GLU 0.882 0.073 16 0 "[ . 1 . 2]"
1 43 ILE 0.765 0.047 8 0 "[ . 1 . 2]"
1 44 ARG 0.704 0.065 20 0 "[ . 1 . 2]"
1 45 THR 0.498 0.122 16 0 "[ . 1 . 2]"
1 46 ILE 1.538 0.127 12 0 "[ . 1 . 2]"
1 47 LEU 4.529 0.238 14 0 "[ . 1 . 2]"
1 48 GLN 0.094 0.048 9 0 "[ . 1 . 2]"
1 49 ILE 0.291 0.049 6 0 "[ . 1 . 2]"
1 50 LEU 2.613 0.127 12 0 "[ . 1 . 2]"
1 51 ALA 11.420 0.934 19 4 "[ * . * -1 . +2]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 1.287 0.132 11 0 "[ . 1 . 2]"
1 54 SER 0.601 0.133 14 0 "[ . 1 . 2]"
1 55 GLY 0.212 0.059 20 0 "[ . 1 . 2]"
1 56 MET 3.376 0.134 8 0 "[ . 1 . 2]"
1 57 ASN 1.031 0.127 8 0 "[ . 1 . 2]"
1 58 ILE 12.991 0.934 19 4 "[ * . * -1 . +2]"
1 59 VAL 1.971 0.295 17 0 "[ . 1 . 2]"
1 60 ALA 1.963 0.295 17 0 "[ . 1 . 2]"
1 61 SER 0.104 0.026 15 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.158 0.158 6 0 "[ . 1 . 2]"
1 64 VAL 5.884 1.216 16 3 "[ -. 1 * .+ 2]"
1 65 ASN 1.849 0.357 18 0 "[ . 1 . 2]"
1 66 GLY 0.832 0.259 4 0 "[ . 1 . 2]"
1 67 LYS 1.201 0.080 12 0 "[ . 1 . 2]"
1 68 MET 1.959 0.080 12 0 "[ . 1 . 2]"
1 69 THR 0.348 0.048 2 0 "[ . 1 . 2]"
1 70 LEU 0.336 0.051 16 0 "[ . 1 . 2]"
1 71 SER 0.151 0.046 2 0 "[ . 1 . 2]"
1 72 LEU 0.099 0.030 18 0 "[ . 1 . 2]"
1 73 LYS 1.275 0.169 20 0 "[ . 1 . 2]"
1 74 ASP 1.820 0.188 5 0 "[ . 1 . 2]"
1 75 VAL 2.183 0.189 18 0 "[ . 1 . 2]"
1 76 PRO 0.251 0.126 9 0 "[ . 1 . 2]"
1 77 TRP 2.888 0.127 11 0 "[ . 1 . 2]"
1 78 ASP 0.070 0.052 7 0 "[ . 1 . 2]"
1 79 GLN 0.164 0.084 5 0 "[ . 1 . 2]"
1 80 ALA 1.704 0.134 12 0 "[ . 1 . 2]"
1 81 LEU 2.940 0.204 19 0 "[ . 1 . 2]"
1 82 ASP 0.985 0.090 12 0 "[ . 1 . 2]"
1 83 LEU 3.913 0.317 4 0 "[ . 1 . 2]"
1 84 VAL 6.021 0.317 4 0 "[ . 1 . 2]"
1 85 MET 2.921 0.238 9 0 "[ . 1 . 2]"
1 86 GLN 1.211 0.157 11 0 "[ . 1 . 2]"
1 87 ALA 1.357 0.135 19 0 "[ . 1 . 2]"
1 88 ARG 0.667 0.180 16 0 "[ . 1 . 2]"
1 89 ASN 0.995 0.118 2 0 "[ . 1 . 2]"
1 90 LEU 6.566 0.232 15 0 "[ . 1 . 2]"
1 91 ASP 3.788 0.230 20 0 "[ . 1 . 2]"
1 92 MET 1.947 0.131 17 0 "[ . 1 . 2]"
1 93 ARG 1.595 0.142 13 0 "[ . 1 . 2]"
1 94 GLN 1.313 0.297 20 0 "[ . 1 . 2]"
1 95 GLN 1.463 0.193 20 0 "[ . 1 . 2]"
1 97 ASN 0.108 0.108 19 0 "[ . 1 . 2]"
1 98 ILE 1.186 0.108 19 0 "[ . 1 . 2]"
1 99 VAL 4.970 0.297 20 0 "[ . 1 . 2]"
1 100 ASN 1.206 0.120 3 0 "[ . 1 . 2]"
1 101 ILE 2.051 0.086 13 0 "[ . 1 . 2]"
1 102 ALA 2.919 0.232 15 0 "[ . 1 . 2]"
1 103 PRO 3.398 1.216 16 3 "[ -. 1 * .+ 2]"
1 104 ARG 0.359 0.072 6 0 "[ . 1 . 2]"
1 105 ASP 0.521 0.140 6 0 "[ . 1 . 2]"
1 106 GLU 0.109 0.031 5 0 "[ . 1 . 2]"
1 107 LEU 2.636 0.159 7 0 "[ . 1 . 2]"
1 108 LEU 2.553 0.266 19 0 "[ . 1 . 2]"
1 109 ALA 0.736 0.138 20 0 "[ . 1 . 2]"
1 110 LYS 0.020 0.016 20 0 "[ . 1 . 2]"
1 111 ASP 1.580 0.323 17 0 "[ . 1 . 2]"
1 112 LYS 1.619 0.323 17 0 "[ . 1 . 2]"
1 113 ALA 0.477 0.120 11 0 "[ . 1 . 2]"
1 114 PHE 0.649 0.120 11 0 "[ . 1 . 2]"
1 115 LEU 0.281 0.093 9 0 "[ . 1 . 2]"
1 116 GLN 0.206 0.093 9 0 "[ . 1 . 2]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 0.602 0.213 9 0 "[ . 1 . 2]"
1 122 ALA 0.602 0.213 9 0 "[ . 1 . 2]"
1 123 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LEU 0.034 0.034 2 0 "[ . 1 . 2]"
1 125 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ALA 0.129 0.057 14 0 "[ . 1 . 2]"
1 127 LEU 0.221 0.087 11 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 11 SER H 1 11 SER QB 2.705 . 3.610 2.656 2.350 3.404 . 0 0 "[ . 1 . 2]" 1
2 1 13 TYR H 1 13 TYR QB 2.745 . 3.690 2.588 2.266 3.390 . 0 0 "[ . 1 . 2]" 1
3 1 14 ASP H 1 14 ASP QB 2.750 . 3.700 2.484 2.179 3.029 . 0 0 "[ . 1 . 2]" 1
4 1 14 ASP HA 1 15 ILE H 2.665 . 3.530 2.574 2.061 3.532 0.002 3 0 "[ . 1 . 2]" 1
5 1 15 ILE H 1 15 ILE HB 2.895 . 3.990 3.356 2.356 4.012 0.022 1 0 "[ . 1 . 2]" 1
6 1 15 ILE H 1 15 ILE MG 3.085 . 4.370 2.757 1.996 3.772 . 0 0 "[ . 1 . 2]" 1
7 1 15 ILE HA 1 15 ILE MD 3.055 . 4.310 3.426 1.965 4.231 . 0 0 "[ . 1 . 2]" 1
8 1 15 ILE HA 1 15 ILE MG 2.690 . 3.580 2.609 2.189 3.253 . 0 0 "[ . 1 . 2]" 1
9 1 15 ILE HA 1 16 PRO HD3 2.580 . 3.360 2.793 2.333 3.270 . 0 0 "[ . 1 . 2]" 1
10 1 15 ILE HB 1 16 PRO HD3 3.115 . 4.430 3.300 2.098 4.468 0.038 4 0 "[ . 1 . 2]" 1
11 1 15 ILE MD 1 16 PRO QB 3.570 . 5.340 5.093 4.087 5.476 0.136 12 0 "[ . 1 . 2]" 1
12 1 15 ILE MG 1 16 PRO HD3 3.085 . 4.370 3.526 2.341 4.364 . 0 0 "[ . 1 . 2]" 1
13 1 16 PRO HA 1 17 THR H 2.540 . 3.280 2.576 2.148 3.355 0.075 13 0 "[ . 1 . 2]" 1
14 1 17 THR H 1 17 THR HB 2.915 . 4.030 3.152 2.500 4.072 0.042 15 0 "[ . 1 . 2]" 1
15 1 17 THR H 1 17 THR MG 2.935 . 4.070 3.177 2.044 3.978 . 0 0 "[ . 1 . 2]" 1
16 1 17 THR HA 1 17 THR MG 2.625 . 3.450 2.437 2.196 3.238 . 0 0 "[ . 1 . 2]" 1
17 1 17 THR HA 1 18 THR H 2.665 . 3.530 2.694 2.095 3.574 0.044 13 0 "[ . 1 . 2]" 1
18 1 18 THR H 1 18 THR MG 3.075 . 4.350 3.026 2.042 3.983 . 0 0 "[ . 1 . 2]" 1
19 1 18 THR HA 1 18 THR MG 2.685 . 3.570 2.526 2.192 3.252 . 0 0 "[ . 1 . 2]" 1
20 1 19 GLU H 1 19 GLU QB 2.730 . 3.660 2.665 2.214 3.381 . 0 0 "[ . 1 . 2]" 1
21 1 20 ASN HA 1 21 LEU H 2.560 . 3.320 2.254 1.844 3.422 0.102 16 0 "[ . 1 . 2]" 1
22 1 20 ASN HA 1 21 LEU HG 3.105 . 4.410 4.409 3.871 4.745 0.335 10 0 "[ . 1 . 2]" 1
23 1 20 ASN QB 1 21 LEU H 3.135 . 4.470 2.693 1.797 3.940 0.003 16 0 "[ . 1 . 2]" 1
24 1 21 LEU H 1 21 LEU QB 2.735 . 3.670 2.715 2.237 3.493 . 0 0 "[ . 1 . 2]" 1
25 1 21 LEU H 1 21 LEU QD 3.170 . 4.540 2.495 1.770 3.385 0.030 8 0 "[ . 1 . 2]" 1
26 1 21 LEU H 1 21 LEU HG 2.910 . 4.020 3.214 2.048 4.068 0.048 17 0 "[ . 1 . 2]" 1
27 1 21 LEU HA 1 21 LEU MD1 3.145 . 4.490 3.258 2.158 4.153 . 0 0 "[ . 1 . 2]" 1
28 1 21 LEU HA 1 21 LEU MD2 3.145 . 4.490 3.112 1.979 4.110 . 0 0 "[ . 1 . 2]" 1
29 1 21 LEU HA 1 22 TYR H 2.565 . 3.330 2.526 2.065 3.426 0.096 20 0 "[ . 1 . 2]" 1
30 1 21 LEU QB 1 22 TYR H 2.910 . 4.020 2.952 2.053 4.017 . 0 0 "[ . 1 . 2]" 1
31 1 21 LEU HB2 1 22 TYR H 3.245 . 4.690 3.516 2.255 4.594 . 0 0 "[ . 1 . 2]" 1
32 1 21 LEU HB3 1 22 TYR H 3.245 . 4.690 3.501 2.067 4.433 . 0 0 "[ . 1 . 2]" 1
33 1 21 LEU QD 1 22 TYR H 3.480 . 5.160 3.718 3.143 4.514 . 0 0 "[ . 1 . 2]" 1
34 1 22 TYR H 1 22 TYR QB 2.680 . 3.560 2.628 2.301 3.368 . 0 0 "[ . 1 . 2]" 1
35 1 22 TYR QB 1 23 PHE H 3.090 . 4.380 3.134 1.795 4.021 0.005 7 0 "[ . 1 . 2]" 1
36 1 23 PHE H 1 24 GLU H 2.685 . 3.570 2.789 1.992 3.639 0.069 19 0 "[ . 1 . 2]" 1
37 1 26 ALA H 1 26 ALA MB 2.680 . 3.560 2.396 2.249 2.867 . 0 0 "[ . 1 . 2]" 1
38 1 26 ALA HA 1 27 MET H 2.560 . 3.320 2.612 2.117 3.432 0.112 16 0 "[ . 1 . 2]" 1
39 1 27 MET HA 1 27 MET ME 3.200 . 4.600 3.792 1.856 4.634 0.034 1 0 "[ . 1 . 2]" 1
40 1 27 MET ME 1 28 GLY H 3.240 . 4.680 4.244 2.360 4.804 0.124 15 0 "[ . 1 . 2]" 1
41 1 30 THR H 1 30 THR MG 2.900 . 4.000 3.364 1.992 4.012 0.012 10 0 "[ . 1 . 2]" 1
42 1 30 THR HA 1 30 THR MG 2.535 . 3.270 2.527 2.240 3.262 . 0 0 "[ . 1 . 2]" 1
43 1 31 GLY HA3 1 77 TRP HE1 2.920 . 4.040 2.651 1.889 3.589 . 0 0 "[ . 1 . 2]" 1
44 1 32 ARG H 1 32 ARG HB2 2.945 . 4.090 3.036 2.435 3.791 . 0 0 "[ . 1 . 2]" 1
45 1 32 ARG H 1 32 ARG HB3 2.945 . 4.090 2.969 2.331 3.803 . 0 0 "[ . 1 . 2]" 1
46 1 32 ARG H 1 77 TRP HD1 2.900 . 4.000 3.422 2.607 4.007 0.007 19 0 "[ . 1 . 2]" 1
47 1 32 ARG H 1 77 TRP HE1 2.985 . 4.170 2.671 2.081 3.527 . 0 0 "[ . 1 . 2]" 1
48 1 32 ARG HA 1 33 LYS H 2.630 . 3.460 2.429 2.207 2.856 . 0 0 "[ . 1 . 2]" 1
49 1 32 ARG HA 1 33 LYS HG3 2.995 . 4.190 5.058 3.251 5.351 1.161 15 19 [***********-**+****2] 1
50 1 33 LYS H 1 33 LYS HG3 3.190 . 4.580 3.483 2.244 3.740 . 0 0 "[ . 1 . 2]" 1
51 1 33 LYS HA 1 33 LYS HG3 2.630 . 3.460 2.551 2.336 2.735 . 0 0 "[ . 1 . 2]" 1
52 1 33 LYS HA 1 34 ILE H 2.665 . 3.530 2.214 2.128 2.314 . 0 0 "[ . 1 . 2]" 1
53 1 33 LYS HB2 1 74 ASP HA 2.845 . 3.890 2.803 2.116 3.502 . 0 0 "[ . 1 . 2]" 1
54 1 33 LYS HB2 1 75 VAL H 3.415 . 5.030 3.828 3.152 4.576 . 0 0 "[ . 1 . 2]" 1
55 1 33 LYS HB3 1 34 ILE H 3.130 . 4.460 4.007 3.955 4.096 . 0 0 "[ . 1 . 2]" 1
56 1 33 LYS QE 1 33 LYS HG3 2.575 . 3.350 2.668 2.295 3.305 . 0 0 "[ . 1 . 2]" 1
57 1 34 ILE H 1 34 ILE MD 3.105 . 4.410 3.980 3.145 4.199 . 0 0 "[ . 1 . 2]" 1
58 1 34 ILE H 1 34 ILE HG13 3.105 . 4.410 2.688 2.321 3.943 . 0 0 "[ . 1 . 2]" 1
59 1 34 ILE H 1 34 ILE MG 2.920 . 4.040 3.026 2.786 3.952 . 0 0 "[ . 1 . 2]" 1
60 1 34 ILE H 1 35 SER H 3.165 . 4.530 4.335 4.207 4.419 . 0 0 "[ . 1 . 2]" 1
61 1 34 ILE H 1 74 ASP HA 3.525 . 5.250 3.985 3.189 4.770 . 0 0 "[ . 1 . 2]" 1
62 1 34 ILE H 1 75 VAL H 2.825 . 3.850 3.193 2.578 3.826 . 0 0 "[ . 1 . 2]" 1
63 1 34 ILE H 1 76 PRO HA 3.165 . 4.530 3.011 2.422 3.615 . 0 0 "[ . 1 . 2]" 1
64 1 34 ILE H 1 77 TRP H 3.155 . 4.510 4.042 3.627 4.544 0.034 9 0 "[ . 1 . 2]" 1
65 1 34 ILE HA 1 34 ILE MG 2.640 . 3.480 2.406 2.318 2.507 . 0 0 "[ . 1 . 2]" 1
66 1 34 ILE HB 1 34 ILE MD 2.590 . 3.380 2.370 2.305 2.490 . 0 0 "[ . 1 . 2]" 1
67 1 34 ILE HB 1 35 SER H 2.535 . 3.270 2.800 2.502 3.462 0.192 19 0 "[ . 1 . 2]" 1
68 1 34 ILE HB 1 77 TRP H 3.435 . 5.070 4.947 3.301 5.197 0.127 11 0 "[ . 1 . 2]" 1
69 1 34 ILE HB 1 77 TRP HD1 3.305 . 4.810 4.861 4.769 4.916 0.106 16 0 "[ . 1 . 2]" 1
70 1 34 ILE MD 1 35 SER H 3.225 . 4.650 4.316 3.645 4.669 0.019 8 0 "[ . 1 . 2]" 1
71 1 34 ILE MD 1 53 GLU QB 3.570 . 5.340 4.269 1.962 5.222 . 0 0 "[ . 1 . 2]" 1
72 1 34 ILE MD 1 77 TRP H 2.995 . 4.190 3.290 1.786 3.814 0.014 9 0 "[ . 1 . 2]" 1
73 1 34 ILE MD 1 77 TRP HA 2.775 . 3.750 2.578 1.974 3.458 . 0 0 "[ . 1 . 2]" 1
74 1 34 ILE MD 1 77 TRP HB2 2.840 . 3.880 1.976 1.792 2.910 0.008 4 0 "[ . 1 . 2]" 1
75 1 34 ILE MD 1 77 TRP HB3 2.840 . 3.880 3.084 2.650 3.895 0.015 2 0 "[ . 1 . 2]" 1
76 1 34 ILE MD 1 77 TRP HD1 3.090 . 4.380 3.516 1.804 4.396 0.016 2 0 "[ . 1 . 2]" 1
77 1 34 ILE HG13 1 34 ILE MG 2.785 . 3.770 2.327 2.135 2.411 . 0 0 "[ . 1 . 2]" 1
78 1 34 ILE HG13 1 77 TRP H 3.245 . 4.690 3.012 2.479 4.373 . 0 0 "[ . 1 . 2]" 1
79 1 34 ILE MG 1 35 SER H 2.825 . 3.850 3.613 1.884 3.870 0.020 8 0 "[ . 1 . 2]" 1
80 1 34 ILE MG 1 53 GLU QB 3.025 . 4.250 3.477 2.124 4.382 0.132 11 0 "[ . 1 . 2]" 1
81 1 34 ILE MG 1 76 PRO HB2 3.650 . 5.500 5.100 4.445 5.626 0.126 9 0 "[ . 1 . 2]" 1
82 1 34 ILE MG 1 77 TRP H 3.055 . 4.310 2.803 2.401 4.219 . 0 0 "[ . 1 . 2]" 1
83 1 34 ILE MG 1 77 TRP HA 3.295 . 4.790 3.990 3.389 4.799 0.009 2 0 "[ . 1 . 2]" 1
84 1 34 ILE MG 1 77 TRP QB 2.820 . 3.840 2.539 1.907 3.910 0.070 19 0 "[ . 1 . 2]" 1
85 1 34 ILE MG 1 77 TRP HD1 3.400 . 5.000 2.478 2.078 4.745 . 0 0 "[ . 1 . 2]" 1
86 1 35 SER H 1 35 SER HB2 2.845 . 3.890 3.512 2.626 3.906 0.016 9 0 "[ . 1 . 2]" 1
87 1 35 SER H 1 35 SER QB 2.585 . 3.370 2.653 2.452 3.051 . 0 0 "[ . 1 . 2]" 1
88 1 35 SER H 1 35 SER HB3 2.845 . 3.890 2.851 2.491 3.717 . 0 0 "[ . 1 . 2]" 1
89 1 35 SER H 1 36 LEU H 3.165 . 4.530 4.118 3.920 4.311 . 0 0 "[ . 1 . 2]" 1
90 1 35 SER HA 1 36 LEU H 2.400 . 3.000 2.121 2.034 2.233 . 0 0 "[ . 1 . 2]" 1
91 1 35 SER HA 1 72 LEU HB2 3.270 . 4.740 3.478 2.873 3.990 . 0 0 "[ . 1 . 2]" 1
92 1 35 SER HA 1 72 LEU HB3 3.380 . 4.960 3.156 2.655 3.900 . 0 0 "[ . 1 . 2]" 1
93 1 35 SER HA 1 72 LEU QD 3.620 . 5.440 4.236 3.472 4.890 . 0 0 "[ . 1 . 2]" 1
94 1 35 SER QB 1 36 LEU H 2.745 . 3.690 3.425 3.274 3.766 0.076 20 0 "[ . 1 . 2]" 1
95 1 36 LEU H 1 36 LEU QB 2.580 . 3.360 2.821 2.675 3.382 0.022 1 0 "[ . 1 . 2]" 1
96 1 36 LEU H 1 36 LEU MD1 3.300 . 4.800 4.152 2.327 4.830 0.030 7 0 "[ . 1 . 2]" 1
97 1 36 LEU H 1 36 LEU MD2 3.300 . 4.800 3.878 2.616 4.778 . 0 0 "[ . 1 . 2]" 1
98 1 36 LEU H 1 37 ASP H 3.190 . 4.580 4.121 3.682 4.289 . 0 0 "[ . 1 . 2]" 1
99 1 36 LEU H 1 72 LEU H 2.945 . 4.090 3.169 2.670 3.687 . 0 0 "[ . 1 . 2]" 1
100 1 36 LEU H 1 72 LEU HB2 2.895 . 3.990 3.505 3.095 3.968 . 0 0 "[ . 1 . 2]" 1
101 1 36 LEU H 1 72 LEU HB3 2.635 . 3.470 2.188 1.773 2.977 0.027 3 0 "[ . 1 . 2]" 1
102 1 36 LEU H 1 72 LEU QD 3.430 . 5.060 3.528 2.728 4.351 . 0 0 "[ . 1 . 2]" 1
103 1 36 LEU HA 1 36 LEU MD1 3.050 . 4.300 3.121 2.084 3.926 . 0 0 "[ . 1 . 2]" 1
104 1 36 LEU HA 1 36 LEU QD 2.455 . 3.110 2.341 2.034 3.319 0.209 1 0 "[ . 1 . 2]" 1
105 1 36 LEU HA 1 36 LEU MD2 3.050 . 4.300 2.913 2.041 4.067 . 0 0 "[ . 1 . 2]" 1
106 1 36 LEU HA 1 37 ASP H 2.295 . 2.790 2.238 2.082 2.414 . 0 0 "[ . 1 . 2]" 1
107 1 36 LEU QB 1 37 ASP H 2.915 . 4.030 3.081 2.394 3.850 . 0 0 "[ . 1 . 2]" 1
108 1 36 LEU QD 1 37 ASP H 2.810 . 3.820 2.981 1.940 3.736 . 0 0 "[ . 1 . 2]" 1
109 1 36 LEU QD 1 46 ILE MG 3.235 . 4.670 4.117 2.894 4.681 0.011 3 0 "[ . 1 . 2]" 1
110 1 37 ASP H 1 37 ASP HB2 2.800 . 3.800 3.224 2.531 3.787 . 0 0 "[ . 1 . 2]" 1
111 1 37 ASP H 1 37 ASP HB3 2.800 . 3.800 3.085 2.481 3.893 0.093 14 0 "[ . 1 . 2]" 1
112 1 37 ASP H 1 38 PHE H 3.170 . 4.540 4.062 3.710 4.428 . 0 0 "[ . 1 . 2]" 1
113 1 37 ASP HA 1 38 PHE H 2.300 . 2.800 2.103 2.037 2.165 . 0 0 "[ . 1 . 2]" 1
114 1 37 ASP HB2 1 38 PHE H 3.175 . 4.550 4.024 3.467 4.478 . 0 0 "[ . 1 . 2]" 1
115 1 37 ASP HB3 1 38 PHE H 3.175 . 4.550 4.102 2.787 4.486 . 0 0 "[ . 1 . 2]" 1
116 1 38 PHE H 1 38 PHE HB2 2.555 . 3.310 2.535 2.395 2.775 . 0 0 "[ . 1 . 2]" 1
117 1 38 PHE H 1 70 LEU H 2.945 . 4.090 3.351 3.008 4.092 0.002 9 0 "[ . 1 . 2]" 1
118 1 38 PHE H 1 70 LEU QB 3.350 . 4.900 3.527 2.719 4.081 . 0 0 "[ . 1 . 2]" 1
119 1 38 PHE HA 1 39 GLN H 2.410 . 3.020 2.188 2.022 3.269 0.249 9 0 "[ . 1 . 2]" 1
120 1 38 PHE HA 1 41 VAL QG 2.690 . 3.580 2.728 2.368 3.176 . 0 0 "[ . 1 . 2]" 1
121 1 38 PHE HB2 1 46 ILE MD 3.230 . 4.660 3.403 2.879 3.954 . 0 0 "[ . 1 . 2]" 1
122 1 38 PHE HB2 1 70 LEU H 2.725 . 3.650 2.638 2.157 3.662 0.012 14 0 "[ . 1 . 2]" 1
123 1 38 PHE HB2 1 70 LEU QB 3.235 . 4.670 2.637 1.948 3.175 . 0 0 "[ . 1 . 2]" 1
124 1 39 GLN H 1 39 GLN QB 2.555 . 3.310 2.515 2.230 2.993 . 0 0 "[ . 1 . 2]" 1
125 1 39 GLN H 1 41 VAL QG 2.645 . 3.490 2.907 2.383 3.550 0.060 15 0 "[ . 1 . 2]" 1
126 1 39 GLN HA 1 40 ASP H 2.460 . 3.120 2.119 2.040 2.199 . 0 0 "[ . 1 . 2]" 1
127 1 39 GLN HA 1 40 ASP HA 3.265 . 4.730 4.324 4.250 4.411 . 0 0 "[ . 1 . 2]" 1
128 1 39 GLN HA 1 41 VAL H 3.530 . 5.260 4.293 3.448 4.933 . 0 0 "[ . 1 . 2]" 1
129 1 39 GLN HA 1 69 THR HB 3.525 . 5.250 4.605 4.043 5.070 . 0 0 "[ . 1 . 2]" 1
130 1 39 GLN HA 1 69 THR MG 2.515 . 3.230 1.994 1.906 2.146 . 0 0 "[ . 1 . 2]" 1
131 1 39 GLN QB 1 40 ASP H 2.995 . 4.190 3.541 3.055 3.951 . 0 0 "[ . 1 . 2]" 1
132 1 39 GLN QB 1 69 THR MG 2.970 . 4.140 3.261 2.262 3.793 . 0 0 "[ . 1 . 2]" 1
133 1 39 GLN HB2 1 69 THR MG 3.405 . 5.010 3.553 2.422 4.793 . 0 0 "[ . 1 . 2]" 1
134 1 39 GLN HB3 1 69 THR MG 3.405 . 5.010 4.123 2.712 4.749 . 0 0 "[ . 1 . 2]" 1
135 1 39 GLN QE 1 69 THR MG 3.150 . 4.500 3.377 1.950 4.521 0.021 4 0 "[ . 1 . 2]" 1
136 1 40 ASP H 1 40 ASP HB2 3.000 . 4.200 3.848 3.560 4.132 . 0 0 "[ . 1 . 2]" 1
137 1 40 ASP H 1 40 ASP QB 2.700 . 3.600 3.102 2.821 3.346 . 0 0 "[ . 1 . 2]" 1
138 1 40 ASP H 1 40 ASP HB3 3.000 . 4.200 3.273 2.957 3.547 . 0 0 "[ . 1 . 2]" 1
139 1 40 ASP H 1 41 VAL H 2.765 . 3.730 2.883 2.542 3.291 . 0 0 "[ . 1 . 2]" 1
140 1 40 ASP H 1 69 THR H 3.320 . 4.840 4.438 3.932 4.867 0.027 19 0 "[ . 1 . 2]" 1
141 1 40 ASP H 1 69 THR MG 2.825 . 3.850 2.699 1.786 3.267 0.014 9 0 "[ . 1 . 2]" 1
142 1 40 ASP H 1 70 LEU H 3.310 . 4.820 4.265 3.244 4.832 0.012 3 0 "[ . 1 . 2]" 1
143 1 40 ASP HA 1 41 VAL H 2.525 . 3.250 2.629 2.209 3.034 . 0 0 "[ . 1 . 2]" 1
144 1 40 ASP HA 1 67 LYS HD3 3.275 . 4.750 4.261 3.746 4.760 0.010 20 0 "[ . 1 . 2]" 1
145 1 40 ASP HA 1 68 MET H 3.650 . 5.500 4.109 3.453 4.552 . 0 0 "[ . 1 . 2]" 1
146 1 40 ASP HA 1 68 MET HA 3.455 . 5.110 4.653 3.933 5.143 0.033 13 0 "[ . 1 . 2]" 1
147 1 40 ASP QB 1 41 VAL H 3.030 . 4.260 3.953 3.787 4.213 . 0 0 "[ . 1 . 2]" 1
148 1 40 ASP HB2 1 41 VAL H 3.415 . 5.030 4.392 4.059 4.656 . 0 0 "[ . 1 . 2]" 1
149 1 40 ASP HB3 1 41 VAL H 3.415 . 5.030 4.507 4.143 4.831 . 0 0 "[ . 1 . 2]" 1
150 1 41 VAL H 1 41 VAL HB 2.550 . 3.300 2.843 2.507 3.611 0.311 16 0 "[ . 1 . 2]" 1
151 1 41 VAL H 1 41 VAL MG1 3.035 . 4.270 3.325 2.016 3.918 . 0 0 "[ . 1 . 2]" 1
152 1 41 VAL H 1 41 VAL QG 2.555 . 3.310 2.425 2.009 2.812 . 0 0 "[ . 1 . 2]" 1
153 1 41 VAL H 1 41 VAL MG2 3.035 . 4.270 2.820 2.193 4.004 . 0 0 "[ . 1 . 2]" 1
154 1 41 VAL H 1 42 GLU H 3.290 . 4.780 4.417 4.279 4.555 . 0 0 "[ . 1 . 2]" 1
155 1 41 VAL H 1 46 ILE MD 3.070 . 4.340 3.971 3.473 4.339 . 0 0 "[ . 1 . 2]" 1
156 1 41 VAL H 1 68 MET H 2.700 . 3.600 3.274 2.802 3.601 0.001 10 0 "[ . 1 . 2]" 1
157 1 41 VAL H 1 68 MET HA 3.650 . 5.500 5.023 4.553 5.408 . 0 0 "[ . 1 . 2]" 1
158 1 41 VAL H 1 69 THR H 3.650 . 5.500 5.157 4.556 5.534 0.034 13 0 "[ . 1 . 2]" 1
159 1 41 VAL H 1 69 THR HA 3.295 . 4.790 3.570 3.018 3.892 . 0 0 "[ . 1 . 2]" 1
160 1 41 VAL HA 1 41 VAL MG1 2.585 . 3.370 2.602 2.384 3.217 . 0 0 "[ . 1 . 2]" 1
161 1 41 VAL HA 1 41 VAL MG2 2.585 . 3.370 2.529 2.343 3.209 . 0 0 "[ . 1 . 2]" 1
162 1 41 VAL HA 1 42 GLU H 2.295 . 2.790 2.282 2.201 2.551 . 0 0 "[ . 1 . 2]" 1
163 1 41 VAL HA 1 46 ILE MD 3.650 . 5.500 5.083 4.659 5.445 . 0 0 "[ . 1 . 2]" 1
164 1 41 VAL HB 1 42 GLU H 3.215 . 4.630 3.732 2.039 4.117 . 0 0 "[ . 1 . 2]" 1
165 1 41 VAL HB 1 46 ILE MD 3.180 . 4.560 3.455 2.552 4.639 0.079 12 0 "[ . 1 . 2]" 1
166 1 41 VAL HB 1 68 MET H 3.650 . 5.500 4.860 4.347 5.575 0.075 3 0 "[ . 1 . 2]" 1
167 1 41 VAL QG 1 42 GLU H 2.455 . 3.110 2.397 2.140 2.805 . 0 0 "[ . 1 . 2]" 1
168 1 41 VAL QG 1 42 GLU HB2 3.205 . 4.610 4.462 4.304 4.683 0.073 16 0 "[ . 1 . 2]" 1
169 1 41 VAL QG 1 42 GLU HB3 3.270 . 4.740 4.263 3.056 4.779 0.039 16 0 "[ . 1 . 2]" 1
170 1 41 VAL QG 1 45 THR H 2.965 . 4.130 3.887 3.598 4.252 0.122 16 0 "[ . 1 . 2]" 1
171 1 41 VAL QG 1 45 THR HB 2.670 . 3.540 2.416 2.039 3.194 . 0 0 "[ . 1 . 2]" 1
172 1 41 VAL QG 1 46 ILE H 2.915 . 4.030 3.477 3.059 3.922 . 0 0 "[ . 1 . 2]" 1
173 1 41 VAL QG 1 46 ILE MD 2.720 . 3.640 2.793 1.887 3.573 . 0 0 "[ . 1 . 2]" 1
174 1 41 VAL MG1 1 42 GLU H 3.015 . 4.230 2.848 2.150 3.863 . 0 0 "[ . 1 . 2]" 1
175 1 41 VAL MG1 1 46 ILE MD 3.325 . 4.850 3.204 1.896 4.353 . 0 0 "[ . 1 . 2]" 1
176 1 41 VAL MG2 1 42 GLU H 3.015 . 4.230 3.453 2.242 4.040 . 0 0 "[ . 1 . 2]" 1
177 1 41 VAL MG2 1 46 ILE MD 3.325 . 4.850 3.749 2.143 4.508 . 0 0 "[ . 1 . 2]" 1
178 1 42 GLU H 1 42 GLU HB2 2.720 . 3.640 3.006 2.652 3.629 . 0 0 "[ . 1 . 2]" 1
179 1 42 GLU H 1 42 GLU HB3 2.680 . 3.560 3.277 2.354 3.598 0.038 10 0 "[ . 1 . 2]" 1
180 1 42 GLU H 1 42 GLU HG3 2.805 . 3.810 2.129 1.822 3.650 . 0 0 "[ . 1 . 2]" 1
181 1 42 GLU H 1 43 ILE H 3.295 . 4.790 4.510 4.446 4.565 . 0 0 "[ . 1 . 2]" 1
182 1 42 GLU H 1 67 LYS QB 3.570 . 5.340 4.185 3.232 4.975 . 0 0 "[ . 1 . 2]" 1
183 1 42 GLU HA 1 42 GLU HG3 2.910 . 4.020 3.546 2.804 3.773 . 0 0 "[ . 1 . 2]" 1
184 1 42 GLU HA 1 43 ILE H 2.455 . 3.110 2.124 2.050 2.230 . 0 0 "[ . 1 . 2]" 1
185 1 42 GLU HA 1 44 ARG H 3.140 . 4.480 3.956 3.537 4.205 . 0 0 "[ . 1 . 2]" 1
186 1 42 GLU HA 1 67 LYS H 3.205 . 4.610 4.421 4.210 4.618 0.008 18 0 "[ . 1 . 2]" 1
187 1 42 GLU HA 1 67 LYS QE 3.085 . 4.370 3.659 3.162 4.080 . 0 0 "[ . 1 . 2]" 1
188 1 42 GLU HA 1 68 MET H 3.035 . 4.270 3.578 3.075 4.235 . 0 0 "[ . 1 . 2]" 1
189 1 42 GLU HB2 1 43 ILE H 2.975 . 4.150 3.530 2.860 3.887 . 0 0 "[ . 1 . 2]" 1
190 1 42 GLU HB2 1 44 ARG H 3.130 . 4.460 3.857 2.300 4.510 0.050 5 0 "[ . 1 . 2]" 1
191 1 42 GLU HB2 1 45 THR H 3.365 . 4.930 4.219 2.674 4.958 0.028 16 0 "[ . 1 . 2]" 1
192 1 42 GLU HB3 1 44 ARG H 2.975 . 4.150 2.955 2.646 3.558 . 0 0 "[ . 1 . 2]" 1
193 1 42 GLU HB3 1 45 THR H 2.810 . 3.820 3.201 2.036 3.841 0.021 10 0 "[ . 1 . 2]" 1
194 1 42 GLU HG3 1 45 THR H 3.260 . 4.720 4.127 3.556 4.785 0.065 9 0 "[ . 1 . 2]" 1
195 1 43 ILE H 1 43 ILE HB 2.605 . 3.410 2.508 2.325 2.709 . 0 0 "[ . 1 . 2]" 1
196 1 43 ILE H 1 43 ILE MD 2.830 . 3.860 3.529 3.374 3.739 . 0 0 "[ . 1 . 2]" 1
197 1 43 ILE H 1 43 ILE HG13 2.845 . 3.890 3.323 3.030 3.680 . 0 0 "[ . 1 . 2]" 1
198 1 43 ILE H 1 43 ILE MG 2.855 . 3.910 3.747 3.714 3.783 . 0 0 "[ . 1 . 2]" 1
199 1 43 ILE H 1 44 ARG H 2.765 . 3.730 2.629 2.494 2.765 . 0 0 "[ . 1 . 2]" 1
200 1 43 ILE H 1 46 ILE MD 3.195 . 4.590 3.989 3.822 4.273 . 0 0 "[ . 1 . 2]" 1
201 1 43 ILE H 1 67 LYS H 3.325 . 4.850 4.461 3.891 4.862 0.012 10 0 "[ . 1 . 2]" 1
202 1 43 ILE H 1 67 LYS HA 2.745 . 3.690 2.609 2.073 3.030 . 0 0 "[ . 1 . 2]" 1
203 1 43 ILE H 1 67 LYS QB 3.250 . 4.700 4.104 3.463 4.585 . 0 0 "[ . 1 . 2]" 1
204 1 43 ILE HA 1 43 ILE MD 2.910 . 4.020 3.837 3.766 3.941 . 0 0 "[ . 1 . 2]" 1
205 1 43 ILE HA 1 43 ILE MG 2.670 . 3.540 2.442 2.310 2.603 . 0 0 "[ . 1 . 2]" 1
206 1 43 ILE HA 1 46 ILE H 2.935 . 4.070 3.247 3.086 3.505 . 0 0 "[ . 1 . 2]" 1
207 1 43 ILE HA 1 46 ILE HB 2.880 . 3.960 2.691 2.354 3.160 . 0 0 "[ . 1 . 2]" 1
208 1 43 ILE HA 1 46 ILE MD 2.625 . 3.450 2.043 1.946 2.178 . 0 0 "[ . 1 . 2]" 1
209 1 43 ILE HA 1 46 ILE MG 3.170 . 4.540 3.987 3.710 4.335 . 0 0 "[ . 1 . 2]" 1
210 1 43 ILE HA 1 47 LEU H 3.315 . 4.830 4.188 3.937 4.381 . 0 0 "[ . 1 . 2]" 1
211 1 43 ILE HB 1 43 ILE MD 2.680 . 3.560 2.436 2.365 2.487 . 0 0 "[ . 1 . 2]" 1
212 1 43 ILE HB 1 44 ARG H 2.780 . 3.760 2.756 2.490 2.964 . 0 0 "[ . 1 . 2]" 1
213 1 43 ILE MD 1 67 LYS H 3.205 . 4.610 3.758 2.797 4.377 . 0 0 "[ . 1 . 2]" 1
214 1 43 ILE MD 1 88 ARG QB 3.450 . 5.100 2.882 2.041 3.894 . 0 0 "[ . 1 . 2]" 1
215 1 43 ILE HG13 1 43 ILE MG 2.790 . 3.780 2.387 2.253 2.479 . 0 0 "[ . 1 . 2]" 1
216 1 43 ILE MG 1 44 ARG H 2.825 . 3.850 3.535 3.191 3.778 . 0 0 "[ . 1 . 2]" 1
217 1 43 ILE MG 1 44 ARG HA 3.200 . 4.600 3.554 3.129 4.085 . 0 0 "[ . 1 . 2]" 1
218 1 43 ILE MG 1 46 ILE H 3.115 . 4.430 4.414 4.298 4.475 0.045 18 0 "[ . 1 . 2]" 1
219 1 43 ILE MG 1 46 ILE HB 2.780 . 3.760 3.337 3.067 3.599 . 0 0 "[ . 1 . 2]" 1
220 1 43 ILE MG 1 47 LEU H 3.140 . 4.480 3.780 3.674 3.877 . 0 0 "[ . 1 . 2]" 1
221 1 43 ILE MG 1 47 LEU HA 3.480 . 5.160 5.094 4.745 5.207 0.047 8 0 "[ . 1 . 2]" 1
222 1 43 ILE MG 1 47 LEU HG 2.955 . 4.110 3.424 2.310 4.155 0.045 9 0 "[ . 1 . 2]" 1
223 1 43 ILE MG 1 68 MET QB 3.490 . 5.180 4.646 2.975 5.223 0.043 5 0 "[ . 1 . 2]" 1
224 1 44 ARG H 1 44 ARG QB 2.390 . 2.980 2.360 2.039 2.787 . 0 0 "[ . 1 . 2]" 1
225 1 44 ARG H 1 45 THR H 2.730 . 3.660 2.730 2.557 2.839 . 0 0 "[ . 1 . 2]" 1
226 1 44 ARG H 1 46 ILE MD 3.405 . 5.010 5.018 4.849 5.045 0.035 4 0 "[ . 1 . 2]" 1
227 1 44 ARG HA 1 46 ILE H 3.365 . 4.930 4.370 4.150 4.547 . 0 0 "[ . 1 . 2]" 1
228 1 44 ARG HA 1 47 LEU H 3.050 . 4.300 3.842 3.448 4.156 . 0 0 "[ . 1 . 2]" 1
229 1 44 ARG HA 1 47 LEU HB2 3.420 . 5.040 4.817 4.017 5.105 0.065 20 0 "[ . 1 . 2]" 1
230 1 44 ARG HA 1 47 LEU QB 2.990 . 4.180 3.219 2.515 3.527 . 0 0 "[ . 1 . 2]" 1
231 1 44 ARG HA 1 47 LEU HB3 3.420 . 5.040 3.269 2.541 3.596 . 0 0 "[ . 1 . 2]" 1
232 1 44 ARG HA 1 47 LEU QD 2.770 . 3.740 3.011 2.145 3.748 0.008 11 0 "[ . 1 . 2]" 1
233 1 44 ARG HA 1 48 GLN H 3.600 . 5.400 4.674 4.144 5.044 . 0 0 "[ . 1 . 2]" 1
234 1 44 ARG HA 1 60 ALA MB 3.105 . 4.410 3.102 2.382 3.908 . 0 0 "[ . 1 . 2]" 1
235 1 44 ARG QB 1 45 THR H 2.735 . 3.670 2.745 2.303 3.623 . 0 0 "[ . 1 . 2]" 1
236 1 45 THR H 1 45 THR HB 2.465 . 3.130 2.487 2.386 2.556 . 0 0 "[ . 1 . 2]" 1
237 1 45 THR H 1 45 THR MG 2.815 . 3.830 3.732 3.676 3.776 . 0 0 "[ . 1 . 2]" 1
238 1 45 THR H 1 46 ILE H 2.540 . 3.280 2.514 2.377 2.630 . 0 0 "[ . 1 . 2]" 1
239 1 45 THR H 1 47 LEU H 3.215 . 4.630 4.400 4.096 4.561 . 0 0 "[ . 1 . 2]" 1
240 1 45 THR HA 1 45 THR MG 2.480 . 3.160 2.390 2.292 2.500 . 0 0 "[ . 1 . 2]" 1
241 1 45 THR HA 1 48 GLN H 2.880 . 3.960 3.569 3.197 3.899 . 0 0 "[ . 1 . 2]" 1
242 1 45 THR HA 1 48 GLN QB 2.970 . 4.140 3.379 2.209 4.140 0.000 17 0 "[ . 1 . 2]" 1
243 1 45 THR HA 1 48 GLN HG3 3.385 . 4.970 3.194 2.096 5.018 0.048 9 0 "[ . 1 . 2]" 1
244 1 45 THR HB 1 46 ILE H 2.755 . 3.710 2.790 2.580 2.980 . 0 0 "[ . 1 . 2]" 1
245 1 45 THR HB 1 46 ILE MD 3.650 . 5.500 4.830 4.371 5.324 . 0 0 "[ . 1 . 2]" 1
246 1 45 THR MG 1 46 ILE H 2.905 . 4.010 3.676 3.519 3.812 . 0 0 "[ . 1 . 2]" 1
247 1 45 THR MG 1 46 ILE HA 3.055 . 4.310 3.671 3.485 3.909 . 0 0 "[ . 1 . 2]" 1
248 1 45 THR MG 1 48 GLN QB 3.495 . 5.190 4.072 3.108 5.084 . 0 0 "[ . 1 . 2]" 1
249 1 45 THR MG 1 49 ILE MD 2.890 . 3.980 2.189 1.965 2.556 . 0 0 "[ . 1 . 2]" 1
250 1 46 ILE H 1 46 ILE HB 2.590 . 3.380 2.555 2.449 2.693 . 0 0 "[ . 1 . 2]" 1
251 1 46 ILE H 1 46 ILE MD 2.880 . 3.960 3.542 3.386 3.622 . 0 0 "[ . 1 . 2]" 1
252 1 46 ILE H 1 46 ILE MG 2.965 . 4.130 3.780 3.746 3.819 . 0 0 "[ . 1 . 2]" 1
253 1 46 ILE H 1 47 LEU H 2.670 . 3.540 2.800 2.650 2.989 . 0 0 "[ . 1 . 2]" 1
254 1 46 ILE H 1 47 LEU QD 3.360 . 4.920 3.968 3.504 4.681 . 0 0 "[ . 1 . 2]" 1
255 1 46 ILE H 1 49 ILE MD 3.325 . 4.850 4.396 4.121 4.895 0.045 14 0 "[ . 1 . 2]" 1
256 1 46 ILE HA 1 46 ILE MG 2.675 . 3.550 2.423 2.383 2.495 . 0 0 "[ . 1 . 2]" 1
257 1 46 ILE HA 1 49 ILE H 3.095 . 4.390 3.517 3.291 3.712 . 0 0 "[ . 1 . 2]" 1
258 1 46 ILE HA 1 49 ILE HB 3.025 . 4.250 2.832 2.605 3.297 . 0 0 "[ . 1 . 2]" 1
259 1 46 ILE HA 1 49 ILE MD 2.835 . 3.870 2.655 2.248 3.532 . 0 0 "[ . 1 . 2]" 1
260 1 46 ILE HA 1 49 ILE MG 3.225 . 4.650 4.122 3.818 4.426 . 0 0 "[ . 1 . 2]" 1
261 1 46 ILE HB 1 46 ILE MD 2.510 . 3.220 2.441 2.394 2.472 . 0 0 "[ . 1 . 2]" 1
262 1 46 ILE HB 1 47 LEU H 2.505 . 3.210 2.514 2.343 2.694 . 0 0 "[ . 1 . 2]" 1
263 1 46 ILE HB 1 47 LEU QD 3.320 . 4.840 2.820 2.371 3.755 . 0 0 "[ . 1 . 2]" 1
264 1 46 ILE HB 1 84 VAL QG 3.005 . 4.210 3.048 2.378 4.080 . 0 0 "[ . 1 . 2]" 1
265 1 46 ILE MD 1 67 LYS HA 3.200 . 4.600 4.412 3.964 4.656 0.056 16 0 "[ . 1 . 2]" 1
266 1 46 ILE MD 1 68 MET H 2.960 . 4.120 3.473 3.105 3.785 . 0 0 "[ . 1 . 2]" 1
267 1 46 ILE MD 1 68 MET QB 3.360 . 4.920 3.622 2.236 4.314 . 0 0 "[ . 1 . 2]" 1
268 1 46 ILE MD 1 68 MET ME 3.130 . 4.460 3.900 3.548 4.499 0.039 12 0 "[ . 1 . 2]" 1
269 1 46 ILE MD 1 84 VAL QG 3.285 . 4.770 2.759 2.225 3.640 . 0 0 "[ . 1 . 2]" 1
270 1 46 ILE MG 1 47 LEU H 2.885 . 3.970 3.361 3.256 3.439 . 0 0 "[ . 1 . 2]" 1
271 1 46 ILE MG 1 50 LEU H 3.195 . 4.590 4.068 3.678 4.283 . 0 0 "[ . 1 . 2]" 1
272 1 46 ILE MG 1 50 LEU QB 3.230 . 4.660 4.276 2.535 4.701 0.041 20 0 "[ . 1 . 2]" 1
273 1 46 ILE MG 1 50 LEU HG 3.195 . 4.590 4.048 2.380 4.717 0.127 12 0 "[ . 1 . 2]" 1
274 1 46 ILE MG 1 84 VAL QG 2.470 . 3.140 2.180 1.845 3.164 0.024 4 0 "[ . 1 . 2]" 1
275 1 47 LEU H 1 47 LEU HB2 2.740 . 3.680 3.458 3.348 3.582 . 0 0 "[ . 1 . 2]" 1
276 1 47 LEU H 1 47 LEU QB 2.510 . 3.220 2.213 2.054 2.514 . 0 0 "[ . 1 . 2]" 1
277 1 47 LEU H 1 47 LEU HB3 2.740 . 3.680 2.241 2.071 2.568 . 0 0 "[ . 1 . 2]" 1
278 1 47 LEU H 1 47 LEU MD1 2.885 . 3.970 3.299 1.977 3.771 . 0 0 "[ . 1 . 2]" 1
279 1 47 LEU H 1 47 LEU QD 2.500 . 3.200 2.256 1.908 2.997 . 0 0 "[ . 1 . 2]" 1
280 1 47 LEU H 1 47 LEU MD2 2.885 . 3.970 2.620 1.917 3.547 . 0 0 "[ . 1 . 2]" 1
281 1 47 LEU H 1 47 LEU HG 2.635 . 3.470 3.280 2.062 3.708 0.238 14 0 "[ . 1 . 2]" 1
282 1 47 LEU H 1 48 GLN H 2.685 . 3.570 2.806 2.693 2.939 . 0 0 "[ . 1 . 2]" 1
283 1 47 LEU H 1 49 ILE H 3.045 . 4.290 4.159 4.017 4.288 . 0 0 "[ . 1 . 2]" 1
284 1 47 LEU H 1 50 LEU H 3.415 . 5.030 4.886 4.674 5.071 0.041 20 0 "[ . 1 . 2]" 1
285 1 47 LEU HA 1 47 LEU QD 2.450 . 3.100 2.072 1.920 2.428 . 0 0 "[ . 1 . 2]" 1
286 1 47 LEU HA 1 60 ALA MB 3.650 . 5.500 5.195 4.532 5.548 0.048 2 0 "[ . 1 . 2]" 1
287 1 47 LEU HA 1 101 ILE MD 3.645 . 5.490 5.508 5.208 5.576 0.086 13 0 "[ . 1 . 2]" 1
288 1 47 LEU QB 1 48 GLN H 2.610 . 3.420 2.636 2.326 2.779 . 0 0 "[ . 1 . 2]" 1
289 1 47 LEU QB 1 49 ILE H 3.420 . 5.040 4.557 4.413 4.724 . 0 0 "[ . 1 . 2]" 1
290 1 47 LEU QB 1 60 ALA MB 2.910 . 4.020 2.671 2.054 3.087 . 0 0 "[ . 1 . 2]" 1
291 1 47 LEU HB2 1 48 GLN H 2.855 . 3.910 3.472 3.194 3.717 . 0 0 "[ . 1 . 2]" 1
292 1 47 LEU HB3 1 48 GLN H 2.855 . 3.910 2.738 2.359 2.909 . 0 0 "[ . 1 . 2]" 1
293 1 47 LEU QD 1 48 GLN H 3.000 . 4.200 3.943 3.846 4.101 . 0 0 "[ . 1 . 2]" 1
294 1 47 LEU QD 1 60 ALA MB 2.845 . 3.890 2.842 1.939 3.901 0.011 19 0 "[ . 1 . 2]" 1
295 1 47 LEU QD 1 101 ILE H 3.620 . 5.440 4.664 3.861 5.308 . 0 0 "[ . 1 . 2]" 1
296 1 47 LEU QD 1 101 ILE MD 2.715 . 3.630 2.887 2.539 3.663 0.033 17 0 "[ . 1 . 2]" 1
297 1 47 LEU QD 1 101 ILE MG 2.500 . 3.200 2.194 1.882 2.601 . 0 0 "[ . 1 . 2]" 1
298 1 47 LEU MD1 1 48 GLN H 3.410 . 5.020 4.568 4.162 4.822 . 0 0 "[ . 1 . 2]" 1
299 1 47 LEU MD2 1 48 GLN H 3.410 . 5.020 4.370 4.086 4.702 . 0 0 "[ . 1 . 2]" 1
300 1 47 LEU HG 1 101 ILE MG 3.325 . 4.850 2.980 2.092 4.166 . 0 0 "[ . 1 . 2]" 1
301 1 48 GLN H 1 48 GLN HB2 2.795 . 3.790 3.239 2.582 3.649 . 0 0 "[ . 1 . 2]" 1
302 1 48 GLN H 1 48 GLN QB 2.545 . 3.290 2.523 2.382 2.725 . 0 0 "[ . 1 . 2]" 1
303 1 48 GLN H 1 48 GLN HB3 2.795 . 3.790 2.967 2.417 3.675 . 0 0 "[ . 1 . 2]" 1
304 1 48 GLN H 1 48 GLN HG3 2.910 . 4.020 2.492 2.052 3.574 . 0 0 "[ . 1 . 2]" 1
305 1 48 GLN H 1 49 ILE H 2.580 . 3.360 2.512 2.353 2.822 . 0 0 "[ . 1 . 2]" 1
306 1 48 GLN H 1 49 ILE MD 3.650 . 5.500 5.130 4.471 5.448 . 0 0 "[ . 1 . 2]" 1
307 1 48 GLN H 1 50 LEU H 3.240 . 4.680 4.171 3.993 4.372 . 0 0 "[ . 1 . 2]" 1
308 1 48 GLN HA 1 48 GLN HG3 2.965 . 4.130 3.260 2.487 3.817 . 0 0 "[ . 1 . 2]" 1
309 1 48 GLN HA 1 51 ALA H 2.880 . 3.960 3.354 2.976 3.736 . 0 0 "[ . 1 . 2]" 1
310 1 48 GLN HA 1 51 ALA MB 2.555 . 3.310 2.550 2.198 2.944 . 0 0 "[ . 1 . 2]" 1
311 1 48 GLN QB 1 49 ILE H 2.825 . 3.850 3.091 2.314 3.778 . 0 0 "[ . 1 . 2]" 1
312 1 48 GLN HB2 1 49 ILE H 3.120 . 4.440 3.933 3.334 4.335 . 0 0 "[ . 1 . 2]" 1
313 1 48 GLN HB3 1 49 ILE H 3.120 . 4.440 3.292 2.360 4.159 . 0 0 "[ . 1 . 2]" 1
314 1 49 ILE H 1 49 ILE HB 2.470 . 3.140 2.480 2.353 2.702 . 0 0 "[ . 1 . 2]" 1
315 1 49 ILE H 1 49 ILE MD 2.895 . 3.990 3.623 2.965 3.729 . 0 0 "[ . 1 . 2]" 1
316 1 49 ILE H 1 49 ILE MG 2.855 . 3.910 3.776 3.730 3.803 . 0 0 "[ . 1 . 2]" 1
317 1 49 ILE H 1 50 LEU H 2.650 . 3.500 2.622 2.431 2.808 . 0 0 "[ . 1 . 2]" 1
318 1 49 ILE H 1 51 ALA H 3.215 . 4.630 4.009 3.790 4.298 . 0 0 "[ . 1 . 2]" 1
319 1 49 ILE HA 1 49 ILE MD 2.895 . 3.990 3.737 2.273 3.856 . 0 0 "[ . 1 . 2]" 1
320 1 49 ILE HA 1 49 ILE HG13 2.915 . 4.030 2.516 2.405 3.260 . 0 0 "[ . 1 . 2]" 1
321 1 49 ILE HA 1 49 ILE MG 2.570 . 3.340 2.488 2.319 2.602 . 0 0 "[ . 1 . 2]" 1
322 1 49 ILE HA 1 52 LYS H 2.920 . 4.040 3.231 2.876 3.578 . 0 0 "[ . 1 . 2]" 1
323 1 49 ILE HA 1 52 LYS QB 2.845 . 3.890 2.710 2.174 3.644 . 0 0 "[ . 1 . 2]" 1
324 1 49 ILE HB 1 49 ILE MD 2.670 . 3.540 2.489 2.427 3.261 . 0 0 "[ . 1 . 2]" 1
325 1 49 ILE HB 1 50 LEU H 2.650 . 3.500 2.761 2.486 2.934 . 0 0 "[ . 1 . 2]" 1
326 1 49 ILE MD 1 49 ILE MG 3.350 . 4.900 1.966 1.913 2.032 . 0 0 "[ . 1 . 2]" 1
327 1 49 ILE MD 1 50 LEU H 3.315 . 4.830 4.744 4.567 4.873 0.043 4 0 "[ . 1 . 2]" 1
328 1 49 ILE HG13 1 49 ILE MG 2.850 . 3.900 2.432 2.359 3.204 . 0 0 "[ . 1 . 2]" 1
329 1 49 ILE MG 1 50 LEU H 2.900 . 4.000 3.417 3.144 3.601 . 0 0 "[ . 1 . 2]" 1
330 1 49 ILE MG 1 50 LEU HA 3.180 . 4.560 3.492 3.240 3.743 . 0 0 "[ . 1 . 2]" 1
331 1 49 ILE MG 1 52 LYS QB 3.380 . 4.960 3.588 2.908 4.832 . 0 0 "[ . 1 . 2]" 1
332 1 49 ILE MG 1 53 GLU QB 3.350 . 4.900 4.423 3.837 4.949 0.049 6 0 "[ . 1 . 2]" 1
333 1 50 LEU H 1 50 LEU HB2 2.760 . 3.720 3.552 2.509 3.732 0.012 5 0 "[ . 1 . 2]" 1
334 1 50 LEU H 1 50 LEU QB 2.395 . 2.990 2.462 2.010 2.634 . 0 0 "[ . 1 . 2]" 1
335 1 50 LEU H 1 50 LEU HB3 2.760 . 3.720 2.516 2.115 2.694 . 0 0 "[ . 1 . 2]" 1
336 1 50 LEU H 1 50 LEU MD1 3.070 . 4.340 3.157 2.452 4.043 . 0 0 "[ . 1 . 2]" 1
337 1 50 LEU H 1 50 LEU QD 2.740 . 3.680 2.517 1.998 3.669 . 0 0 "[ . 1 . 2]" 1
338 1 50 LEU H 1 50 LEU MD2 3.070 . 4.340 2.821 2.028 4.204 . 0 0 "[ . 1 . 2]" 1
339 1 50 LEU H 1 50 LEU HG 3.020 . 4.240 3.677 2.116 4.329 0.089 12 0 "[ . 1 . 2]" 1
340 1 50 LEU H 1 51 ALA H 2.615 . 3.430 2.633 2.448 2.757 . 0 0 "[ . 1 . 2]" 1
341 1 50 LEU H 1 51 ALA MB 3.200 . 4.600 4.280 4.145 4.408 . 0 0 "[ . 1 . 2]" 1
342 1 50 LEU H 1 52 LYS H 3.270 . 4.740 4.038 3.786 4.198 . 0 0 "[ . 1 . 2]" 1
343 1 50 LEU H 1 53 GLU H 3.375 . 4.950 4.901 4.756 5.000 0.050 6 0 "[ . 1 . 2]" 1
344 1 50 LEU HA 1 53 GLU H 3.055 . 4.310 3.394 3.276 3.627 . 0 0 "[ . 1 . 2]" 1
345 1 50 LEU HA 1 53 GLU HB2 3.205 . 4.610 4.478 4.100 4.678 0.068 16 0 "[ . 1 . 2]" 1
346 1 50 LEU HA 1 53 GLU HB3 3.205 . 4.610 3.467 2.519 4.729 0.119 9 0 "[ . 1 . 2]" 1
347 1 50 LEU QB 1 50 LEU QD 2.295 . 2.790 2.002 1.900 2.072 . 0 0 "[ . 1 . 2]" 1
348 1 50 LEU QB 1 51 ALA H 2.695 . 3.590 2.615 2.346 2.778 . 0 0 "[ . 1 . 2]" 1
349 1 50 LEU QB 1 51 ALA HA 3.115 . 4.430 3.922 3.820 4.155 . 0 0 "[ . 1 . 2]" 1
350 1 50 LEU QB 1 58 ILE MD 2.675 . 3.550 2.381 2.039 3.101 . 0 0 "[ . 1 . 2]" 1
351 1 50 LEU QD 1 77 TRP HA 2.730 . 3.660 3.023 2.491 3.448 . 0 0 "[ . 1 . 2]" 1
352 1 50 LEU QD 1 77 TRP QB 3.065 . 4.330 2.009 1.812 2.615 . 0 0 "[ . 1 . 2]" 1
353 1 50 LEU QD 1 77 TRP HD1 3.620 . 5.440 4.619 4.184 5.417 . 0 0 "[ . 1 . 2]" 1
354 1 50 LEU QD 1 81 LEU H 2.860 . 3.920 3.510 2.557 3.957 0.037 16 0 "[ . 1 . 2]" 1
355 1 50 LEU QD 1 82 ASP H 3.620 . 5.440 5.175 4.427 5.502 0.062 9 0 "[ . 1 . 2]" 1
356 1 50 LEU MD1 1 81 LEU H 3.160 . 4.520 4.020 2.709 4.634 0.114 1 0 "[ . 1 . 2]" 1
357 1 50 LEU MD2 1 81 LEU H 3.160 . 4.520 4.161 2.570 4.581 0.061 7 0 "[ . 1 . 2]" 1
358 1 51 ALA H 1 51 ALA MB 2.455 . 3.110 2.229 2.192 2.262 . 0 0 "[ . 1 . 2]" 1
359 1 51 ALA H 1 52 LYS H 2.680 . 3.560 2.635 2.512 2.751 . 0 0 "[ . 1 . 2]" 1
360 1 51 ALA H 1 58 ILE MD 2.810 . 3.820 2.820 2.407 3.449 . 0 0 "[ . 1 . 2]" 1
361 1 51 ALA H 1 58 ILE HG13 3.465 . 5.130 5.530 5.331 6.064 0.934 19 4 "[ * . * -1 . +2]" 1
362 1 51 ALA HA 1 54 SER H 3.305 . 4.810 4.271 3.454 4.839 0.029 3 0 "[ . 1 . 2]" 1
363 1 51 ALA HA 1 55 GLY H 3.540 . 5.280 3.205 2.060 4.558 . 0 0 "[ . 1 . 2]" 1
364 1 51 ALA HA 1 56 MET H 3.095 . 4.390 3.946 3.177 4.398 0.008 3 0 "[ . 1 . 2]" 1
365 1 51 ALA HA 1 56 MET ME 3.650 . 5.500 5.258 4.655 5.577 0.077 4 0 "[ . 1 . 2]" 1
366 1 51 ALA HA 1 58 ILE MD 2.725 . 3.650 3.040 2.631 3.428 . 0 0 "[ . 1 . 2]" 1
367 1 51 ALA HA 1 58 ILE HG13 3.185 . 4.570 4.655 3.951 5.259 0.689 19 1 "[ . 1 . +2]" 1
368 1 51 ALA MB 1 52 LYS H 2.525 . 3.250 2.575 2.383 2.780 . 0 0 "[ . 1 . 2]" 1
369 1 51 ALA MB 1 52 LYS HA 3.105 . 4.410 3.809 3.707 3.952 . 0 0 "[ . 1 . 2]" 1
370 1 51 ALA MB 1 57 ASN HA 2.915 . 4.030 2.837 2.364 3.591 . 0 0 "[ . 1 . 2]" 1
371 1 51 ALA MB 1 58 ILE H 2.645 . 3.490 2.021 1.784 2.622 0.016 4 0 "[ . 1 . 2]" 1
372 1 51 ALA MB 1 58 ILE MD 2.520 . 3.240 2.590 2.085 2.914 . 0 0 "[ . 1 . 2]" 1
373 1 52 LYS H 1 52 LYS QB 2.335 . 2.870 2.364 2.179 2.563 . 0 0 "[ . 1 . 2]" 1
374 1 52 LYS H 1 53 GLU H 2.700 . 3.600 2.563 2.426 2.702 . 0 0 "[ . 1 . 2]" 1
375 1 52 LYS HA 1 52 LYS HG3 2.915 . 4.030 3.167 2.408 3.794 . 0 0 "[ . 1 . 2]" 1
376 1 52 LYS QB 1 53 GLU H 2.940 . 4.080 3.096 2.691 3.875 . 0 0 "[ . 1 . 2]" 1
377 1 53 GLU H 1 53 GLU HB2 2.805 . 3.810 3.451 3.013 3.659 . 0 0 "[ . 1 . 2]" 1
378 1 53 GLU H 1 53 GLU QB 2.460 . 3.120 2.532 2.226 3.050 . 0 0 "[ . 1 . 2]" 1
379 1 53 GLU H 1 53 GLU HB3 2.805 . 3.810 2.774 2.249 3.731 . 0 0 "[ . 1 . 2]" 1
380 1 53 GLU H 1 53 GLU HG3 2.925 . 4.050 2.463 2.056 2.920 . 0 0 "[ . 1 . 2]" 1
381 1 53 GLU H 1 54 SER H 2.770 . 3.740 2.755 2.405 3.061 . 0 0 "[ . 1 . 2]" 1
382 1 53 GLU QB 1 54 SER H 2.920 . 4.040 3.694 3.156 4.024 . 0 0 "[ . 1 . 2]" 1
383 1 54 SER H 1 54 SER HB2 2.995 . 4.190 3.988 3.340 4.163 . 0 0 "[ . 1 . 2]" 1
384 1 54 SER H 1 54 SER QB 2.720 . 3.640 3.353 3.057 3.491 . 0 0 "[ . 1 . 2]" 1
385 1 54 SER H 1 54 SER HB3 2.995 . 4.190 3.629 3.264 4.130 . 0 0 "[ . 1 . 2]" 1
386 1 54 SER QB 1 55 GLY H 3.105 . 4.410 3.767 3.483 4.053 . 0 0 "[ . 1 . 2]" 1
387 1 54 SER QB 1 56 MET H 3.150 . 4.500 4.343 3.991 4.633 0.133 14 0 "[ . 1 . 2]" 1
388 1 55 GLY H 1 56 MET H 2.570 . 3.340 3.010 2.223 3.399 0.059 20 0 "[ . 1 . 2]" 1
389 1 56 MET H 1 56 MET QB 2.475 . 3.150 3.155 2.873 3.284 0.134 8 0 "[ . 1 . 2]" 1
390 1 56 MET H 1 56 MET ME 3.015 . 4.230 4.123 3.538 4.316 0.086 20 0 "[ . 1 . 2]" 1
391 1 56 MET H 1 57 ASN H 3.270 . 4.740 4.419 2.532 4.761 0.021 3 0 "[ . 1 . 2]" 1
392 1 56 MET HA 1 56 MET ME 3.230 . 4.660 4.301 4.089 4.479 . 0 0 "[ . 1 . 2]" 1
393 1 56 MET HA 1 57 ASN H 2.390 . 2.980 2.703 2.323 2.944 . 0 0 "[ . 1 . 2]" 1
394 1 56 MET QB 1 57 ASN H 2.790 . 3.780 2.160 1.803 3.688 . 0 0 "[ . 1 . 2]" 1
395 1 56 MET QB 1 58 ILE MD 3.570 . 5.340 4.103 3.113 5.000 . 0 0 "[ . 1 . 2]" 1
396 1 56 MET QB 1 99 VAL QG 3.050 . 4.300 2.819 2.170 3.614 . 0 0 "[ . 1 . 2]" 1
397 1 56 MET ME 1 57 ASN H 3.425 . 5.050 4.766 4.353 5.100 0.050 8 0 "[ . 1 . 2]" 1
398 1 56 MET ME 1 77 TRP HE3 3.180 . 4.560 4.307 3.662 4.605 0.045 15 0 "[ . 1 . 2]" 1
399 1 56 MET ME 1 77 TRP HH2 2.880 . 3.960 2.234 1.901 2.675 . 0 0 "[ . 1 . 2]" 1
400 1 56 MET ME 1 77 TRP HZ2 3.060 . 4.320 4.263 3.984 4.368 0.048 17 0 "[ . 1 . 2]" 1
401 1 56 MET ME 1 77 TRP HZ3 3.035 . 4.270 2.301 1.935 2.870 . 0 0 "[ . 1 . 2]" 1
402 1 56 MET ME 1 99 VAL QG 2.680 . 3.560 2.754 2.001 3.600 0.040 2 0 "[ . 1 . 2]" 1
403 1 57 ASN H 1 57 ASN HB2 2.855 . 3.910 3.502 2.574 4.037 0.127 8 0 "[ . 1 . 2]" 1
404 1 57 ASN H 1 57 ASN QB 2.540 . 3.280 2.527 2.395 3.336 0.056 8 0 "[ . 1 . 2]" 1
405 1 57 ASN H 1 57 ASN HB3 2.855 . 3.910 2.666 2.428 3.556 . 0 0 "[ . 1 . 2]" 1
406 1 57 ASN H 1 99 VAL QG 3.050 . 4.300 3.697 3.339 4.352 0.052 8 0 "[ . 1 . 2]" 1
407 1 57 ASN QB 1 98 ILE HA 2.815 . 3.830 2.200 1.940 3.164 . 0 0 "[ . 1 . 2]" 1
408 1 57 ASN QB 1 98 ILE MD 3.375 . 4.950 3.165 2.002 4.268 . 0 0 "[ . 1 . 2]" 1
409 1 57 ASN QB 1 98 ILE MG 2.725 . 3.650 2.734 2.318 2.996 . 0 0 "[ . 1 . 2]" 1
410 1 57 ASN QB 1 99 VAL QG 3.460 . 5.120 4.310 3.611 4.685 . 0 0 "[ . 1 . 2]" 1
411 1 57 ASN HB2 1 58 ILE H 3.150 . 4.500 3.865 3.002 4.409 . 0 0 "[ . 1 . 2]" 1
412 1 57 ASN HB2 1 98 ILE MG 2.990 . 4.180 3.100 2.590 3.644 . 0 0 "[ . 1 . 2]" 1
413 1 57 ASN HB3 1 58 ILE H 3.150 . 4.500 4.384 4.120 4.527 0.027 3 0 "[ . 1 . 2]" 1
414 1 57 ASN HB3 1 98 ILE MG 2.990 . 4.180 3.263 2.452 4.240 0.060 3 0 "[ . 1 . 2]" 1
415 1 57 ASN QD 1 98 ILE MD 2.845 . 3.890 2.863 1.795 3.929 0.039 19 0 "[ . 1 . 2]" 1
416 1 57 ASN QD 1 98 ILE MG 2.900 . 4.000 3.648 2.000 4.068 0.068 8 0 "[ . 1 . 2]" 1
417 1 58 ILE H 1 58 ILE HB 2.590 . 3.380 2.658 2.489 3.001 . 0 0 "[ . 1 . 2]" 1
418 1 58 ILE H 1 58 ILE MD 3.080 . 4.360 3.827 3.692 4.148 . 0 0 "[ . 1 . 2]" 1
419 1 58 ILE H 1 58 ILE HG13 2.850 . 3.900 3.638 3.204 3.945 0.045 6 0 "[ . 1 . 2]" 1
420 1 58 ILE H 1 58 ILE MG 2.985 . 4.170 3.821 3.763 3.947 . 0 0 "[ . 1 . 2]" 1
421 1 58 ILE H 1 99 VAL QG 3.570 . 5.340 4.591 3.653 5.336 . 0 0 "[ . 1 . 2]" 1
422 1 58 ILE HA 1 58 ILE MD 2.885 . 3.970 3.890 3.824 3.985 0.015 7 0 "[ . 1 . 2]" 1
423 1 58 ILE HA 1 58 ILE MG 2.695 . 3.590 2.339 2.144 2.445 . 0 0 "[ . 1 . 2]" 1
424 1 58 ILE HA 1 59 VAL QG 3.080 . 4.360 3.558 3.293 3.860 . 0 0 "[ . 1 . 2]" 1
425 1 58 ILE HB 1 58 ILE MD 2.535 . 3.270 2.431 2.406 2.474 . 0 0 "[ . 1 . 2]" 1
426 1 58 ILE MG 1 59 VAL H 2.705 . 3.610 2.788 2.234 3.051 . 0 0 "[ . 1 . 2]" 1
427 1 58 ILE MG 1 59 VAL HA 3.080 . 4.360 3.731 3.488 4.147 . 0 0 "[ . 1 . 2]" 1
428 1 58 ILE MG 1 99 VAL HB 2.695 . 3.590 3.509 2.823 3.826 0.236 16 0 "[ . 1 . 2]" 1
429 1 58 ILE MG 1 101 ILE H 3.005 . 4.210 3.525 2.988 3.929 . 0 0 "[ . 1 . 2]" 1
430 1 58 ILE MG 1 101 ILE HA 3.200 . 4.600 4.561 4.165 4.686 0.086 13 0 "[ . 1 . 2]" 1
431 1 58 ILE MG 1 101 ILE HG13 2.750 . 3.700 2.032 1.821 2.169 . 0 0 "[ . 1 . 2]" 1
432 1 59 VAL H 1 59 VAL HB 2.575 . 3.350 2.923 2.523 3.543 0.193 7 0 "[ . 1 . 2]" 1
433 1 59 VAL H 1 59 VAL QG 2.470 . 3.140 2.314 1.842 2.717 . 0 0 "[ . 1 . 2]" 1
434 1 59 VAL H 1 98 ILE MG 3.210 . 4.620 3.760 3.108 4.509 . 0 0 "[ . 1 . 2]" 1
435 1 59 VAL H 1 99 VAL H 3.385 . 4.970 3.658 3.276 3.949 . 0 0 "[ . 1 . 2]" 1
436 1 59 VAL H 1 100 ASN HA 2.905 . 4.010 2.803 2.521 3.298 . 0 0 "[ . 1 . 2]" 1
437 1 59 VAL H 1 101 ILE H 3.210 . 4.620 3.817 3.571 4.473 . 0 0 "[ . 1 . 2]" 1
438 1 59 VAL HA 1 59 VAL MG1 2.690 . 3.580 2.535 2.162 3.252 . 0 0 "[ . 1 . 2]" 1
439 1 59 VAL HA 1 59 VAL QG 2.450 . 3.100 2.211 2.125 2.364 . 0 0 "[ . 1 . 2]" 1
440 1 59 VAL HA 1 59 VAL MG2 2.690 . 3.580 2.629 2.376 3.222 . 0 0 "[ . 1 . 2]" 1
441 1 59 VAL HA 1 60 ALA H 2.310 . 2.820 2.205 2.022 3.115 0.295 17 0 "[ . 1 . 2]" 1
442 1 59 VAL HA 1 60 ALA MB 2.965 . 4.130 3.992 3.835 4.163 0.033 17 0 "[ . 1 . 2]" 1
443 1 59 VAL HB 1 60 ALA H 3.100 . 4.400 3.914 2.559 4.409 0.009 16 0 "[ . 1 . 2]" 1
444 1 59 VAL HB 1 100 ASN HA 3.190 . 4.580 3.528 2.115 4.644 0.064 17 0 "[ . 1 . 2]" 1
445 1 59 VAL HB 1 100 ASN QD 3.230 . 4.660 3.445 2.047 4.744 0.084 17 0 "[ . 1 . 2]" 1
446 1 59 VAL QG 1 60 ALA H 2.560 . 3.320 2.970 2.298 3.383 0.063 11 0 "[ . 1 . 2]" 1
447 1 59 VAL QG 1 99 VAL H 3.620 . 5.440 3.757 3.325 4.504 . 0 0 "[ . 1 . 2]" 1
448 1 59 VAL QG 1 100 ASN HA 3.165 . 4.530 2.957 1.986 3.857 . 0 0 "[ . 1 . 2]" 1
449 1 59 VAL QG 1 100 ASN QD 2.765 . 3.730 2.410 1.776 3.511 0.024 4 0 "[ . 1 . 2]" 1
450 1 59 VAL QG 1 101 ILE H 3.620 . 5.440 3.883 3.164 4.635 . 0 0 "[ . 1 . 2]" 1
451 1 59 VAL MG1 1 100 ASN HA 3.610 . 5.420 3.793 2.058 5.360 . 0 0 "[ . 1 . 2]" 1
452 1 59 VAL MG1 1 100 ASN HD21 3.525 . 5.250 3.365 1.807 5.320 0.070 15 0 "[ . 1 . 2]" 1
453 1 59 VAL MG1 1 100 ASN HD22 3.525 . 5.250 3.585 2.527 5.304 0.054 7 0 "[ . 1 . 2]" 1
454 1 59 VAL MG2 1 100 ASN HA 3.610 . 5.420 3.660 1.988 4.938 . 0 0 "[ . 1 . 2]" 1
455 1 59 VAL MG2 1 100 ASN HD21 3.525 . 5.250 3.649 1.848 5.256 0.006 19 0 "[ . 1 . 2]" 1
456 1 59 VAL MG2 1 100 ASN HD22 3.525 . 5.250 3.822 2.094 5.313 0.063 19 0 "[ . 1 . 2]" 1
457 1 60 ALA H 1 60 ALA MB 2.495 . 3.190 2.361 2.246 2.933 . 0 0 "[ . 1 . 2]" 1
458 1 60 ALA H 1 61 SER H 3.245 . 4.690 4.452 4.288 4.536 . 0 0 "[ . 1 . 2]" 1
459 1 60 ALA H 1 101 ILE HB 3.440 . 5.080 4.807 4.349 5.123 0.043 4 0 "[ . 1 . 2]" 1
460 1 60 ALA HA 1 61 SER H 2.440 . 3.080 2.185 2.086 2.364 . 0 0 "[ . 1 . 2]" 1
461 1 60 ALA HA 1 61 SER QB 3.180 . 4.560 4.323 3.955 4.574 0.014 15 0 "[ . 1 . 2]" 1
462 1 60 ALA HA 1 64 VAL QG 3.040 . 4.280 3.238 2.790 3.941 . 0 0 "[ . 1 . 2]" 1
463 1 60 ALA HA 1 101 ILE H 2.930 . 4.060 2.599 1.793 2.981 0.007 17 0 "[ . 1 . 2]" 1
464 1 60 ALA HA 1 101 ILE HB 2.990 . 4.180 2.476 1.931 3.079 . 0 0 "[ . 1 . 2]" 1
465 1 60 ALA MB 1 61 SER H 2.710 . 3.620 2.873 2.189 3.319 . 0 0 "[ . 1 . 2]" 1
466 1 60 ALA MB 1 61 SER HA 3.280 . 4.760 4.357 4.033 4.492 . 0 0 "[ . 1 . 2]" 1
467 1 60 ALA MB 1 61 SER QB 3.570 . 5.340 4.417 3.878 4.881 . 0 0 "[ . 1 . 2]" 1
468 1 60 ALA MB 1 64 VAL H 3.245 . 4.690 4.476 4.206 4.711 0.021 2 0 "[ . 1 . 2]" 1
469 1 60 ALA MB 1 64 VAL HA 3.650 . 5.500 5.434 4.950 5.664 0.164 17 0 "[ . 1 . 2]" 1
470 1 60 ALA MB 1 64 VAL HB 2.890 . 3.980 3.606 2.595 4.095 0.115 4 0 "[ . 1 . 2]" 1
471 1 60 ALA MB 1 64 VAL MG1 2.765 . 3.730 2.577 1.820 3.593 . 0 0 "[ . 1 . 2]" 1
472 1 60 ALA MB 1 64 VAL MG2 2.765 . 3.730 2.648 1.788 3.725 0.012 13 0 "[ . 1 . 2]" 1
473 1 60 ALA MB 1 101 ILE H 3.155 . 4.510 4.063 3.388 4.450 . 0 0 "[ . 1 . 2]" 1
474 1 60 ALA MB 1 101 ILE HB 3.120 . 4.440 2.980 2.329 3.464 . 0 0 "[ . 1 . 2]" 1
475 1 61 SER H 1 61 SER HB2 2.935 . 4.070 3.061 2.370 3.586 . 0 0 "[ . 1 . 2]" 1
476 1 61 SER H 1 61 SER QB 2.585 . 3.370 2.456 2.173 2.707 . 0 0 "[ . 1 . 2]" 1
477 1 61 SER H 1 61 SER HB3 2.935 . 4.070 2.792 2.440 3.548 . 0 0 "[ . 1 . 2]" 1
478 1 61 SER H 1 64 VAL QG 2.740 . 3.680 2.604 2.185 3.213 . 0 0 "[ . 1 . 2]" 1
479 1 61 SER H 1 101 ILE HB 3.190 . 4.580 3.702 3.165 4.461 . 0 0 "[ . 1 . 2]" 1
480 1 61 SER HA 1 64 VAL QG 3.130 . 4.460 4.088 3.856 4.485 0.025 3 0 "[ . 1 . 2]" 1
481 1 61 SER QB 1 64 VAL QG 2.785 . 3.770 2.809 2.106 3.686 . 0 0 "[ . 1 . 2]" 1
482 1 61 SER QB 1 102 ALA HA 3.160 . 4.520 2.934 1.982 3.815 . 0 0 "[ . 1 . 2]" 1
483 1 61 SER QB 1 102 ALA MB 2.670 . 3.540 2.844 2.133 3.566 0.026 15 0 "[ . 1 . 2]" 1
484 1 62 ASP HA 1 64 VAL H 3.080 . 4.360 3.541 2.991 3.929 . 0 0 "[ . 1 . 2]" 1
485 1 62 ASP HA 1 64 VAL QG 3.325 . 4.850 4.023 3.276 4.801 . 0 0 "[ . 1 . 2]" 1
486 1 62 ASP QB 1 63 SER H 3.005 . 4.210 3.200 2.405 3.816 . 0 0 "[ . 1 . 2]" 1
487 1 62 ASP HB2 1 63 SER H 3.380 . 4.960 3.568 2.431 4.318 . 0 0 "[ . 1 . 2]" 1
488 1 62 ASP HB3 1 63 SER H 3.380 . 4.960 3.927 2.897 4.289 . 0 0 "[ . 1 . 2]" 1
489 1 63 SER H 1 63 SER QB 2.575 . 3.350 2.462 2.208 2.770 . 0 0 "[ . 1 . 2]" 1
490 1 63 SER H 1 64 VAL H 2.670 . 3.540 2.646 2.417 2.892 . 0 0 "[ . 1 . 2]" 1
491 1 63 SER H 1 64 VAL QG 3.205 . 4.610 3.765 3.403 4.322 . 0 0 "[ . 1 . 2]" 1
492 1 63 SER QB 1 64 VAL H 3.050 . 4.300 3.403 2.894 3.835 . 0 0 "[ . 1 . 2]" 1
493 1 63 SER QB 1 103 PRO HG3 2.835 . 3.870 2.808 1.969 4.028 0.158 6 0 "[ . 1 . 2]" 1
494 1 64 VAL H 1 64 VAL HB 2.740 . 3.680 3.027 2.506 3.729 0.049 9 0 "[ . 1 . 2]" 1
495 1 64 VAL H 1 64 VAL MG1 2.870 . 3.940 2.838 1.954 3.837 . 0 0 "[ . 1 . 2]" 1
496 1 64 VAL H 1 64 VAL QG 2.435 . 3.070 2.175 1.949 2.350 . 0 0 "[ . 1 . 2]" 1
497 1 64 VAL H 1 64 VAL MG2 2.870 . 3.940 2.741 2.152 3.885 . 0 0 "[ . 1 . 2]" 1
498 1 64 VAL HA 1 64 VAL MG1 2.615 . 3.430 2.664 2.324 3.247 . 0 0 "[ . 1 . 2]" 1
499 1 64 VAL HA 1 64 VAL MG2 2.615 . 3.430 2.683 2.276 3.257 . 0 0 "[ . 1 . 2]" 1
500 1 64 VAL HA 1 65 ASN H 2.310 . 2.820 2.339 1.973 3.177 0.357 18 0 "[ . 1 . 2]" 1
501 1 64 VAL HA 1 90 LEU QD 3.415 . 5.030 3.462 2.398 4.429 . 0 0 "[ . 1 . 2]" 1
502 1 64 VAL HA 1 103 PRO HG3 3.415 . 5.030 4.859 3.512 6.246 1.216 16 3 "[ -. 1 * .+ 2]" 1
503 1 64 VAL HB 1 65 ASN H 3.195 . 4.590 3.873 1.930 4.540 . 0 0 "[ . 1 . 2]" 1
504 1 64 VAL HB 1 90 LEU QD 3.395 . 4.990 3.540 2.698 4.814 . 0 0 "[ . 1 . 2]" 1
505 1 64 VAL QG 1 65 ASN H 2.645 . 3.490 3.232 2.163 3.622 0.132 16 0 "[ . 1 . 2]" 1
506 1 64 VAL QG 1 65 ASN HA 3.115 . 4.430 3.661 3.167 4.180 . 0 0 "[ . 1 . 2]" 1
507 1 64 VAL QG 1 66 GLY H 3.620 . 5.440 4.844 3.349 5.511 0.071 13 0 "[ . 1 . 2]" 1
508 1 64 VAL QG 1 90 LEU QD 2.805 . 3.810 2.080 1.784 2.465 0.016 7 0 "[ . 1 . 2]" 1
509 1 64 VAL QG 1 102 ALA H 3.360 . 4.920 4.002 3.368 4.666 . 0 0 "[ . 1 . 2]" 1
510 1 64 VAL QG 1 102 ALA HA 2.650 . 3.500 2.746 1.988 3.565 0.065 8 0 "[ . 1 . 2]" 1
511 1 64 VAL MG1 1 65 ASN H 3.020 . 4.240 3.732 2.768 4.257 0.017 4 0 "[ . 1 . 2]" 1
512 1 64 VAL MG2 1 65 ASN H 3.020 . 4.240 3.768 2.184 4.260 0.020 8 0 "[ . 1 . 2]" 1
513 1 65 ASN H 1 65 ASN QD 3.260 . 4.720 3.906 2.414 4.767 0.047 20 0 "[ . 1 . 2]" 1
514 1 65 ASN HA 1 66 GLY H 2.555 . 3.310 2.468 2.077 3.413 0.103 18 0 "[ . 1 . 2]" 1
515 1 65 ASN QB 1 65 ASN QD 2.470 . 3.140 2.182 2.077 2.715 . 0 0 "[ . 1 . 2]" 1
516 1 65 ASN QB 1 66 GLY H 2.505 . 3.210 2.828 1.993 3.469 0.259 4 0 "[ . 1 . 2]" 1
517 1 66 GLY H 1 67 LYS H 3.160 . 4.520 4.223 3.968 4.553 0.033 4 0 "[ . 1 . 2]" 1
518 1 66 GLY HA3 1 67 LYS H 2.505 . 3.210 2.357 2.166 2.626 . 0 0 "[ . 1 . 2]" 1
519 1 67 LYS H 1 67 LYS HB2 2.800 . 3.800 2.772 2.504 3.291 . 0 0 "[ . 1 . 2]" 1
520 1 67 LYS H 1 67 LYS QB 2.460 . 3.120 2.649 2.401 3.111 . 0 0 "[ . 1 . 2]" 1
521 1 67 LYS H 1 67 LYS HB3 2.800 . 3.800 3.377 3.081 3.833 0.033 14 0 "[ . 1 . 2]" 1
522 1 67 LYS H 1 68 MET H 3.520 . 5.240 4.350 4.200 4.448 . 0 0 "[ . 1 . 2]" 1
523 1 67 LYS HA 1 68 MET H 2.435 . 3.070 2.242 2.133 2.367 . 0 0 "[ . 1 . 2]" 1
524 1 67 LYS QB 1 67 LYS QE 2.680 . 3.560 1.976 1.891 2.102 . 0 0 "[ . 1 . 2]" 1
525 1 67 LYS QB 1 68 MET H 2.880 . 3.960 3.273 2.232 3.736 . 0 0 "[ . 1 . 2]" 1
526 1 67 LYS HB2 1 68 MET H 3.215 . 4.630 3.976 3.512 4.230 . 0 0 "[ . 1 . 2]" 1
527 1 67 LYS HB3 1 68 MET H 3.215 . 4.630 3.569 2.257 4.174 . 0 0 "[ . 1 . 2]" 1
528 1 67 LYS QE 1 68 MET H 3.235 . 4.670 4.654 4.312 4.742 0.072 13 0 "[ . 1 . 2]" 1
529 1 67 LYS HG3 1 68 MET H 3.210 . 4.620 3.359 2.430 4.700 0.080 12 0 "[ . 1 . 2]" 1
530 1 68 MET H 1 69 THR H 3.140 . 4.480 4.262 4.170 4.304 . 0 0 "[ . 1 . 2]" 1
531 1 68 MET HA 1 68 MET ME 3.375 . 4.950 4.178 3.821 4.648 . 0 0 "[ . 1 . 2]" 1
532 1 68 MET HA 1 69 THR H 2.485 . 3.170 2.232 2.119 2.303 . 0 0 "[ . 1 . 2]" 1
533 1 68 MET HA 1 69 THR HB 3.650 . 5.500 4.533 4.403 4.712 . 0 0 "[ . 1 . 2]" 1
534 1 68 MET QB 1 69 THR H 2.695 . 3.590 2.880 2.576 3.622 0.032 16 0 "[ . 1 . 2]" 1
535 1 68 MET HB2 1 69 THR H 2.965 . 4.130 3.909 3.090 4.148 0.018 16 0 "[ . 1 . 2]" 1
536 1 68 MET HB3 1 69 THR H 2.965 . 4.130 3.062 2.620 4.134 0.004 9 0 "[ . 1 . 2]" 1
537 1 68 MET ME 1 69 THR H 3.075 . 4.350 3.874 3.284 4.239 . 0 0 "[ . 1 . 2]" 1
538 1 68 MET ME 1 69 THR HB 3.650 . 5.500 5.253 4.376 5.548 0.048 2 0 "[ . 1 . 2]" 1
539 1 68 MET ME 1 70 LEU H 3.515 . 5.230 4.650 4.186 5.256 0.026 4 0 "[ . 1 . 2]" 1
540 1 68 MET ME 1 70 LEU HA 3.480 . 5.160 3.768 2.476 4.491 . 0 0 "[ . 1 . 2]" 1
541 1 68 MET ME 1 70 LEU MD1 2.700 . 3.600 2.414 2.060 3.497 . 0 0 "[ . 1 . 2]" 1
542 1 68 MET ME 1 70 LEU QD 2.425 . 3.050 2.081 1.829 2.406 . 0 0 "[ . 1 . 2]" 1
543 1 68 MET ME 1 70 LEU MD2 2.700 . 3.600 2.700 1.914 3.651 0.051 16 0 "[ . 1 . 2]" 1
544 1 68 MET ME 1 83 LEU HA 3.650 . 5.500 5.049 4.266 5.540 0.040 19 0 "[ . 1 . 2]" 1
545 1 68 MET ME 1 84 VAL H 3.460 . 5.120 4.419 3.790 5.009 . 0 0 "[ . 1 . 2]" 1
546 1 68 MET ME 1 84 VAL HA 2.515 . 3.230 2.610 2.116 3.067 . 0 0 "[ . 1 . 2]" 1
547 1 68 MET ME 1 84 VAL QG 2.455 . 3.110 2.947 2.454 3.153 0.043 12 0 "[ . 1 . 2]" 1
548 1 68 MET ME 1 87 ALA H 3.575 . 5.350 4.219 3.507 4.669 . 0 0 "[ . 1 . 2]" 1
549 1 68 MET ME 1 87 ALA HA 3.275 . 4.750 4.332 3.906 4.633 . 0 0 "[ . 1 . 2]" 1
550 1 68 MET ME 1 87 ALA MB 2.345 . 2.890 2.251 2.000 2.638 . 0 0 "[ . 1 . 2]" 1
551 1 69 THR H 1 69 THR HB 2.490 . 3.180 2.458 2.381 2.581 . 0 0 "[ . 1 . 2]" 1
552 1 69 THR H 1 69 THR MG 2.845 . 3.890 3.764 3.729 3.791 . 0 0 "[ . 1 . 2]" 1
553 1 69 THR HA 1 69 THR MG 2.625 . 3.450 2.410 2.290 2.477 . 0 0 "[ . 1 . 2]" 1
554 1 69 THR MG 1 70 LEU H 2.650 . 3.500 2.987 2.745 3.110 . 0 0 "[ . 1 . 2]" 1
555 1 70 LEU H 1 70 LEU HB2 2.835 . 3.870 3.230 2.604 3.765 . 0 0 "[ . 1 . 2]" 1
556 1 70 LEU H 1 70 LEU QB 2.595 . 3.390 2.525 2.436 2.591 . 0 0 "[ . 1 . 2]" 1
557 1 70 LEU H 1 70 LEU HB3 2.835 . 3.870 2.754 2.477 3.117 . 0 0 "[ . 1 . 2]" 1
558 1 70 LEU H 1 70 LEU MD1 3.505 . 5.210 4.309 3.872 4.604 . 0 0 "[ . 1 . 2]" 1
559 1 70 LEU H 1 70 LEU QD 3.055 . 4.310 3.672 2.588 3.978 . 0 0 "[ . 1 . 2]" 1
560 1 70 LEU H 1 70 LEU MD2 3.505 . 5.210 4.055 2.629 4.542 . 0 0 "[ . 1 . 2]" 1
561 1 70 LEU H 1 71 SER H 3.105 . 4.410 4.276 4.110 4.412 0.002 19 0 "[ . 1 . 2]" 1
562 1 70 LEU HA 1 70 LEU QD 2.520 . 3.240 2.097 1.982 2.351 . 0 0 "[ . 1 . 2]" 1
563 1 70 LEU HA 1 71 SER H 2.345 . 2.890 2.148 2.078 2.236 . 0 0 "[ . 1 . 2]" 1
564 1 70 LEU QB 1 71 SER H 2.885 . 3.970 3.363 2.667 3.866 . 0 0 "[ . 1 . 2]" 1
565 1 70 LEU HB2 1 71 SER H 3.165 . 4.530 3.575 2.715 4.334 . 0 0 "[ . 1 . 2]" 1
566 1 70 LEU HB3 1 71 SER H 3.165 . 4.530 4.251 3.906 4.525 . 0 0 "[ . 1 . 2]" 1
567 1 70 LEU QD 1 71 SER H 2.605 . 3.410 2.731 2.070 3.325 . 0 0 "[ . 1 . 2]" 1
568 1 70 LEU QD 1 71 SER HA 3.540 . 5.280 4.476 3.725 5.031 . 0 0 "[ . 1 . 2]" 1
569 1 70 LEU QD 1 71 SER QB 3.540 . 5.280 4.417 3.686 5.101 . 0 0 "[ . 1 . 2]" 1
570 1 70 LEU MD1 1 71 SER H 3.295 . 4.790 3.843 2.352 4.836 0.046 2 0 "[ . 1 . 2]" 1
571 1 70 LEU MD2 1 71 SER H 3.295 . 4.790 3.583 2.073 4.814 0.024 5 0 "[ . 1 . 2]" 1
572 1 71 SER H 1 71 SER HB2 2.865 . 3.930 3.272 2.468 3.856 . 0 0 "[ . 1 . 2]" 1
573 1 71 SER H 1 71 SER QB 2.625 . 3.450 2.556 2.294 3.093 . 0 0 "[ . 1 . 2]" 1
574 1 71 SER H 1 71 SER HB3 2.865 . 3.930 2.822 2.457 3.692 . 0 0 "[ . 1 . 2]" 1
575 1 71 SER H 1 72 LEU H 3.260 . 4.720 4.109 3.815 4.348 . 0 0 "[ . 1 . 2]" 1
576 1 71 SER H 1 72 LEU QD 3.620 . 5.440 3.599 2.932 4.385 . 0 0 "[ . 1 . 2]" 1
577 1 71 SER HA 1 72 LEU H 2.325 . 2.850 2.163 2.086 2.232 . 0 0 "[ . 1 . 2]" 1
578 1 71 SER HA 1 72 LEU HB3 3.650 . 5.500 4.632 4.519 4.725 . 0 0 "[ . 1 . 2]" 1
579 1 71 SER HA 1 72 LEU QD 3.620 . 5.440 3.778 2.899 4.469 . 0 0 "[ . 1 . 2]" 1
580 1 71 SER QB 1 72 LEU QD 3.540 . 5.280 4.382 3.957 4.854 . 0 0 "[ . 1 . 2]" 1
581 1 71 SER HB2 1 72 LEU H 3.245 . 4.690 3.970 3.545 4.416 . 0 0 "[ . 1 . 2]" 1
582 1 71 SER HB3 1 72 LEU H 3.245 . 4.690 4.324 3.710 4.547 . 0 0 "[ . 1 . 2]" 1
583 1 72 LEU H 1 72 LEU HB3 2.620 . 3.440 2.559 2.482 2.629 . 0 0 "[ . 1 . 2]" 1
584 1 72 LEU H 1 72 LEU MD1 3.120 . 4.440 3.517 2.261 4.071 . 0 0 "[ . 1 . 2]" 1
585 1 72 LEU H 1 72 LEU QD 2.795 . 3.790 2.917 2.164 3.478 . 0 0 "[ . 1 . 2]" 1
586 1 72 LEU H 1 72 LEU MD2 3.120 . 4.440 3.477 2.185 4.221 . 0 0 "[ . 1 . 2]" 1
587 1 72 LEU H 1 72 LEU HG 3.175 . 4.550 3.309 2.424 4.419 . 0 0 "[ . 1 . 2]" 1
588 1 72 LEU HA 1 72 LEU MD1 3.095 . 4.390 3.374 2.129 3.915 . 0 0 "[ . 1 . 2]" 1
589 1 72 LEU HA 1 72 LEU QD 2.455 . 3.110 2.287 2.069 3.013 . 0 0 "[ . 1 . 2]" 1
590 1 72 LEU HA 1 72 LEU MD2 3.095 . 4.390 2.685 2.077 3.792 . 0 0 "[ . 1 . 2]" 1
591 1 72 LEU HA 1 75 VAL QG 2.640 . 3.480 2.745 2.265 3.481 0.001 6 0 "[ . 1 . 2]" 1
592 1 72 LEU HB2 1 73 LYS H 2.870 . 3.940 3.359 1.930 3.943 0.003 20 0 "[ . 1 . 2]" 1
593 1 72 LEU HB2 1 75 VAL HB 3.560 . 5.320 3.406 1.842 5.326 0.006 18 0 "[ . 1 . 2]" 1
594 1 72 LEU HB2 1 75 VAL QG 2.735 . 3.670 2.694 1.956 3.285 . 0 0 "[ . 1 . 2]" 1
595 1 72 LEU HB3 1 72 LEU MD1 3.005 . 4.210 2.493 2.256 3.217 . 0 0 "[ . 1 . 2]" 1
596 1 72 LEU HB3 1 72 LEU MD2 3.005 . 4.210 2.868 2.203 3.224 . 0 0 "[ . 1 . 2]" 1
597 1 72 LEU QD 1 73 LYS H 3.620 . 5.440 3.787 3.474 4.450 . 0 0 "[ . 1 . 2]" 1
598 1 72 LEU QD 1 80 ALA HA 3.065 . 4.330 3.361 2.781 4.248 . 0 0 "[ . 1 . 2]" 1
599 1 72 LEU QD 1 80 ALA MB 2.445 . 3.090 2.024 1.810 2.345 . 0 0 "[ . 1 . 2]" 1
600 1 72 LEU MD1 1 80 ALA MB 2.685 . 3.570 2.381 1.922 3.600 0.030 18 0 "[ . 1 . 2]" 1
601 1 72 LEU MD2 1 80 ALA MB 2.685 . 3.570 2.495 1.891 3.544 . 0 0 "[ . 1 . 2]" 1
602 1 72 LEU HG 1 75 VAL QG 3.500 . 5.200 3.761 2.596 4.360 . 0 0 "[ . 1 . 2]" 1
603 1 73 LYS H 1 73 LYS HB2 2.555 . 3.310 2.707 2.298 3.073 . 0 0 "[ . 1 . 2]" 1
604 1 73 LYS H 1 73 LYS HB3 2.555 . 3.310 2.979 2.518 3.479 0.169 20 0 "[ . 1 . 2]" 1
605 1 73 LYS H 1 75 VAL QG 2.555 . 3.310 2.509 2.000 3.365 0.055 18 0 "[ . 1 . 2]" 1
606 1 73 LYS HA 1 74 ASP H 2.570 . 3.340 2.835 2.102 3.472 0.132 2 0 "[ . 1 . 2]" 1
607 1 74 ASP H 1 75 VAL H 2.660 . 3.520 2.730 2.168 3.626 0.106 6 0 "[ . 1 . 2]" 1
608 1 74 ASP H 1 75 VAL QG 3.140 . 4.480 3.311 2.332 4.023 . 0 0 "[ . 1 . 2]" 1
609 1 74 ASP HA 1 75 VAL H 2.520 . 3.240 2.649 1.901 3.015 . 0 0 "[ . 1 . 2]" 1
610 1 74 ASP HA 1 75 VAL HB 3.575 . 5.350 5.239 4.623 5.538 0.188 5 0 "[ . 1 . 2]" 1
611 1 74 ASP QB 1 75 VAL QG 3.540 . 5.280 4.132 3.555 4.901 . 0 0 "[ . 1 . 2]" 1
612 1 75 VAL H 1 75 VAL HB 2.620 . 3.440 2.789 2.446 3.629 0.189 18 0 "[ . 1 . 2]" 1
613 1 75 VAL H 1 75 VAL MG1 2.910 . 4.020 3.315 1.906 3.933 . 0 0 "[ . 1 . 2]" 1
614 1 75 VAL H 1 75 VAL QG 2.465 . 3.130 2.355 1.901 2.922 . 0 0 "[ . 1 . 2]" 1
615 1 75 VAL H 1 75 VAL MG2 2.910 . 4.020 2.830 2.131 3.933 . 0 0 "[ . 1 . 2]" 1
616 1 75 VAL HA 1 75 VAL MG1 2.830 . 3.860 2.620 2.369 3.241 . 0 0 "[ . 1 . 2]" 1
617 1 75 VAL HA 1 75 VAL MG2 2.830 . 3.860 2.530 2.414 3.232 . 0 0 "[ . 1 . 2]" 1
618 1 75 VAL HB 1 80 ALA MB 3.650 . 5.500 3.796 2.948 5.543 0.043 19 0 "[ . 1 . 2]" 1
619 1 75 VAL QG 1 76 PRO HB3 3.465 . 5.130 4.197 3.629 4.782 . 0 0 "[ . 1 . 2]" 1
620 1 75 VAL QG 1 79 GLN H 3.085 . 4.370 3.872 3.499 4.454 0.084 5 0 "[ . 1 . 2]" 1
621 1 75 VAL QG 1 79 GLN QB 2.610 . 3.420 2.402 1.996 3.286 . 0 0 "[ . 1 . 2]" 1
622 1 75 VAL QG 1 80 ALA H 2.645 . 3.490 2.865 2.394 3.349 . 0 0 "[ . 1 . 2]" 1
623 1 75 VAL QG 1 80 ALA HA 3.255 . 4.710 3.171 2.433 3.878 . 0 0 "[ . 1 . 2]" 1
624 1 75 VAL QG 1 80 ALA MB 2.525 . 3.250 2.307 1.961 2.887 . 0 0 "[ . 1 . 2]" 1
625 1 75 VAL MG1 1 80 ALA MB 2.835 . 3.870 2.574 2.004 3.928 0.058 5 0 "[ . 1 . 2]" 1
626 1 75 VAL MG2 1 80 ALA MB 2.835 . 3.870 3.532 1.967 3.982 0.112 9 0 "[ . 1 . 2]" 1
627 1 76 PRO HA 1 77 TRP H 2.465 . 3.130 2.207 2.111 2.295 . 0 0 "[ . 1 . 2]" 1
628 1 76 PRO HB2 1 77 TRP H 3.185 . 4.570 3.505 2.868 3.867 . 0 0 "[ . 1 . 2]" 1
629 1 76 PRO HB2 1 78 ASP H 3.225 . 4.650 3.672 3.217 4.112 . 0 0 "[ . 1 . 2]" 1
630 1 76 PRO HB2 1 79 GLN H 3.340 . 4.880 4.314 3.806 4.894 0.014 3 0 "[ . 1 . 2]" 1
631 1 76 PRO HB3 1 79 GLN H 2.835 . 3.870 2.703 2.211 3.477 . 0 0 "[ . 1 . 2]" 1
632 1 77 TRP H 1 77 TRP HB2 2.880 . 3.960 2.647 2.489 2.762 . 0 0 "[ . 1 . 2]" 1
633 1 77 TRP H 1 77 TRP QB 2.595 . 3.390 2.587 2.446 2.685 . 0 0 "[ . 1 . 2]" 1
634 1 77 TRP H 1 77 TRP HB3 2.880 . 3.960 3.651 3.541 3.701 . 0 0 "[ . 1 . 2]" 1
635 1 77 TRP H 1 77 TRP HD1 2.970 . 4.140 2.634 2.166 2.964 . 0 0 "[ . 1 . 2]" 1
636 1 77 TRP H 1 80 ALA MB 3.400 . 5.000 4.405 4.173 4.803 . 0 0 "[ . 1 . 2]" 1
637 1 77 TRP HA 1 77 TRP HD1 3.610 . 5.420 4.443 4.285 4.580 . 0 0 "[ . 1 . 2]" 1
638 1 77 TRP HA 1 80 ALA H 3.185 . 4.570 3.159 2.885 3.514 . 0 0 "[ . 1 . 2]" 1
639 1 77 TRP HA 1 80 ALA MB 2.670 . 3.540 2.183 1.970 2.562 . 0 0 "[ . 1 . 2]" 1
640 1 77 TRP QB 1 77 TRP HE3 2.745 . 3.690 2.610 2.387 2.779 . 0 0 "[ . 1 . 2]" 1
641 1 77 TRP QB 1 80 ALA MB 3.395 . 4.990 3.489 3.111 3.977 . 0 0 "[ . 1 . 2]" 1
642 1 77 TRP HE3 1 78 ASP HA 2.930 . 4.060 2.927 2.480 3.546 . 0 0 "[ . 1 . 2]" 1
643 1 77 TRP HE3 1 80 ALA MB 3.650 . 5.500 5.057 4.582 5.534 0.034 9 0 "[ . 1 . 2]" 1
644 1 77 TRP HE3 1 81 LEU QD 2.985 . 4.170 2.853 2.130 3.378 . 0 0 "[ . 1 . 2]" 1
645 1 77 TRP HH2 1 81 LEU QD 3.430 . 5.060 4.730 4.175 5.131 0.071 15 0 "[ . 1 . 2]" 1
646 1 77 TRP HZ3 1 78 ASP HA 3.210 . 4.620 3.564 3.116 4.100 . 0 0 "[ . 1 . 2]" 1
647 1 77 TRP HZ3 1 81 LEU QD 2.735 . 3.670 2.833 2.254 3.228 . 0 0 "[ . 1 . 2]" 1
648 1 78 ASP H 1 79 GLN H 2.700 . 3.600 2.751 2.410 2.994 . 0 0 "[ . 1 . 2]" 1
649 1 78 ASP H 1 79 GLN QB 3.570 . 5.340 4.627 4.241 4.966 . 0 0 "[ . 1 . 2]" 1
650 1 78 ASP H 1 80 ALA H 3.120 . 4.440 3.992 3.757 4.179 . 0 0 "[ . 1 . 2]" 1
651 1 78 ASP H 1 80 ALA MB 3.630 . 5.460 4.608 4.362 4.795 . 0 0 "[ . 1 . 2]" 1
652 1 78 ASP H 1 81 LEU H 3.365 . 4.930 4.676 4.470 4.802 . 0 0 "[ . 1 . 2]" 1
653 1 78 ASP HA 1 81 LEU H 3.090 . 4.380 3.857 3.310 4.398 0.018 12 0 "[ . 1 . 2]" 1
654 1 78 ASP HA 1 81 LEU HB2 3.070 . 4.340 3.426 2.697 4.392 0.052 7 0 "[ . 1 . 2]" 1
655 1 78 ASP HA 1 81 LEU QB 2.770 . 3.740 3.039 2.483 3.738 . 0 0 "[ . 1 . 2]" 1
656 1 78 ASP HA 1 81 LEU HB3 3.070 . 4.340 3.527 2.756 4.088 . 0 0 "[ . 1 . 2]" 1
657 1 78 ASP HA 1 81 LEU QD 3.140 . 4.480 3.410 2.563 3.955 . 0 0 "[ . 1 . 2]" 1
658 1 79 GLN H 1 79 GLN HB2 2.870 . 3.940 2.985 2.412 3.652 . 0 0 "[ . 1 . 2]" 1
659 1 79 GLN H 1 79 GLN QB 2.500 . 3.200 2.332 2.208 2.544 . 0 0 "[ . 1 . 2]" 1
660 1 79 GLN H 1 79 GLN HB3 2.870 . 3.940 2.537 2.293 2.689 . 0 0 "[ . 1 . 2]" 1
661 1 79 GLN H 1 80 ALA H 2.620 . 3.440 2.519 2.440 2.614 . 0 0 "[ . 1 . 2]" 1
662 1 79 GLN H 1 80 ALA MB 3.060 . 4.320 4.207 4.110 4.287 . 0 0 "[ . 1 . 2]" 1
663 1 79 GLN H 1 81 LEU H 3.290 . 4.780 4.132 3.922 4.365 . 0 0 "[ . 1 . 2]" 1
664 1 79 GLN QB 1 80 ALA H 2.635 . 3.470 2.574 2.269 2.892 . 0 0 "[ . 1 . 2]" 1
665 1 79 GLN QB 1 80 ALA MB 3.175 . 4.550 3.816 3.635 4.062 . 0 0 "[ . 1 . 2]" 1
666 1 80 ALA H 1 80 ALA MB 2.485 . 3.170 2.241 2.222 2.268 . 0 0 "[ . 1 . 2]" 1
667 1 80 ALA H 1 81 LEU H 2.730 . 3.660 2.704 2.488 2.840 . 0 0 "[ . 1 . 2]" 1
668 1 80 ALA H 1 83 LEU H 3.450 . 5.100 4.893 4.629 5.116 0.016 10 0 "[ . 1 . 2]" 1
669 1 80 ALA HA 1 82 ASP H 3.430 . 5.060 4.131 3.868 4.376 . 0 0 "[ . 1 . 2]" 1
670 1 80 ALA HA 1 83 LEU H 2.945 . 4.090 3.238 3.029 3.410 . 0 0 "[ . 1 . 2]" 1
671 1 80 ALA HA 1 83 LEU QB 2.805 . 3.810 2.693 2.193 3.786 . 0 0 "[ . 1 . 2]" 1
672 1 80 ALA HA 1 83 LEU MD1 2.895 . 3.990 2.616 2.050 4.124 0.134 12 0 "[ . 1 . 2]" 1
673 1 80 ALA HA 1 83 LEU QD 2.600 . 3.400 2.131 1.776 2.406 0.024 6 0 "[ . 1 . 2]" 1
674 1 80 ALA HA 1 83 LEU MD2 2.895 . 3.990 3.107 1.778 4.028 0.038 4 0 "[ . 1 . 2]" 1
675 1 80 ALA HA 1 83 LEU HG 3.255 . 4.710 3.544 2.377 4.758 0.048 8 0 "[ . 1 . 2]" 1
676 1 80 ALA MB 1 81 LEU H 2.620 . 3.440 2.592 2.378 2.812 . 0 0 "[ . 1 . 2]" 1
677 1 80 ALA MB 1 83 LEU QB 3.285 . 4.770 3.701 3.325 4.441 . 0 0 "[ . 1 . 2]" 1
678 1 81 LEU H 1 81 LEU HB2 2.590 . 3.380 2.604 2.463 3.476 0.096 7 0 "[ . 1 . 2]" 1
679 1 81 LEU H 1 81 LEU HB3 2.590 . 3.380 2.307 2.124 2.532 . 0 0 "[ . 1 . 2]" 1
680 1 81 LEU H 1 81 LEU MD1 3.155 . 4.510 4.048 3.638 4.302 . 0 0 "[ . 1 . 2]" 1
681 1 81 LEU H 1 81 LEU QD 2.835 . 3.870 3.652 3.226 3.735 . 0 0 "[ . 1 . 2]" 1
682 1 81 LEU H 1 81 LEU MD2 3.155 . 4.510 4.167 3.604 4.289 . 0 0 "[ . 1 . 2]" 1
683 1 81 LEU H 1 81 LEU HG 3.125 . 4.450 4.304 2.578 4.475 0.025 9 0 "[ . 1 . 2]" 1
684 1 81 LEU H 1 82 ASP H 2.785 . 3.770 2.712 2.475 2.867 . 0 0 "[ . 1 . 2]" 1
685 1 81 LEU H 1 83 LEU H 3.090 . 4.380 4.133 3.924 4.412 0.032 1 0 "[ . 1 . 2]" 1
686 1 81 LEU HA 1 81 LEU MD1 2.990 . 4.180 3.022 2.071 3.877 . 0 0 "[ . 1 . 2]" 1
687 1 81 LEU HA 1 81 LEU QD 2.490 . 3.180 2.469 2.022 3.024 . 0 0 "[ . 1 . 2]" 1
688 1 81 LEU HA 1 81 LEU MD2 2.990 . 4.180 3.318 2.029 3.938 . 0 0 "[ . 1 . 2]" 1
689 1 81 LEU HA 1 81 LEU HG 2.975 . 4.150 2.922 2.455 3.837 . 0 0 "[ . 1 . 2]" 1
690 1 81 LEU HA 1 84 VAL H 3.130 . 4.460 3.605 3.293 3.963 . 0 0 "[ . 1 . 2]" 1
691 1 81 LEU HA 1 84 VAL HB 3.085 . 4.370 3.621 2.740 4.574 0.204 19 0 "[ . 1 . 2]" 1
692 1 81 LEU HA 1 85 MET ME 3.460 . 5.120 4.690 3.650 5.252 0.132 10 0 "[ . 1 . 2]" 1
693 1 81 LEU QB 1 82 ASP H 2.620 . 3.440 2.539 2.301 2.756 . 0 0 "[ . 1 . 2]" 1
694 1 81 LEU HB2 1 82 ASP H 3.015 . 4.230 2.618 2.331 3.370 . 0 0 "[ . 1 . 2]" 1
695 1 81 LEU HB3 1 82 ASP H 3.015 . 4.230 3.710 2.705 3.996 . 0 0 "[ . 1 . 2]" 1
696 1 81 LEU QD 1 82 ASP H 3.050 . 4.300 3.687 3.239 4.129 . 0 0 "[ . 1 . 2]" 1
697 1 81 LEU QD 1 85 MET ME 2.530 . 3.260 2.215 1.799 3.267 0.007 10 0 "[ . 1 . 2]" 1
698 1 81 LEU QD 1 92 MET ME 2.625 . 3.450 3.031 2.250 3.543 0.093 20 0 "[ . 1 . 2]" 1
699 1 81 LEU MD1 1 82 ASP H 3.390 . 4.980 4.502 3.513 4.736 . 0 0 "[ . 1 . 2]" 1
700 1 81 LEU MD1 1 85 MET ME 2.930 . 4.060 3.312 1.942 4.107 0.047 16 0 "[ . 1 . 2]" 1
701 1 81 LEU MD2 1 82 ASP H 3.390 . 4.980 4.001 3.333 4.693 . 0 0 "[ . 1 . 2]" 1
702 1 81 LEU MD2 1 85 MET ME 2.930 . 4.060 2.464 1.804 4.120 0.060 15 0 "[ . 1 . 2]" 1
703 1 81 LEU HG 1 82 ASP H 3.310 . 4.820 4.403 3.757 4.910 0.090 12 0 "[ . 1 . 2]" 1
704 1 82 ASP H 1 82 ASP HB2 2.800 . 3.800 2.529 2.394 2.704 . 0 0 "[ . 1 . 2]" 1
705 1 82 ASP H 1 82 ASP QB 2.450 . 3.100 2.277 2.200 2.348 . 0 0 "[ . 1 . 2]" 1
706 1 82 ASP H 1 82 ASP HB3 2.800 . 3.800 2.601 2.347 2.722 . 0 0 "[ . 1 . 2]" 1
707 1 82 ASP H 1 83 LEU H 2.780 . 3.760 2.603 2.446 2.835 . 0 0 "[ . 1 . 2]" 1
708 1 82 ASP H 1 83 LEU MD1 3.650 . 5.500 4.615 3.464 5.570 0.070 12 0 "[ . 1 . 2]" 1
709 1 82 ASP H 1 83 LEU MD2 3.650 . 5.500 4.948 3.412 5.527 0.027 15 0 "[ . 1 . 2]" 1
710 1 82 ASP H 1 85 MET ME 3.430 . 5.060 4.540 3.887 5.068 0.008 13 0 "[ . 1 . 2]" 1
711 1 82 ASP HA 1 85 MET H 3.125 . 4.450 3.457 3.114 3.954 . 0 0 "[ . 1 . 2]" 1
712 1 82 ASP HA 1 85 MET ME 2.715 . 3.630 3.158 2.141 3.672 0.042 12 0 "[ . 1 . 2]" 1
713 1 82 ASP HA 1 86 GLN H 3.275 . 4.750 4.324 3.849 4.775 0.025 17 0 "[ . 1 . 2]" 1
714 1 82 ASP QB 1 83 LEU H 2.650 . 3.500 2.735 2.362 3.123 . 0 0 "[ . 1 . 2]" 1
715 1 82 ASP QB 1 83 LEU HA 3.410 . 5.020 4.176 3.941 4.342 . 0 0 "[ . 1 . 2]" 1
716 1 82 ASP HB2 1 83 LEU H 3.055 . 4.310 2.788 2.389 3.214 . 0 0 "[ . 1 . 2]" 1
717 1 82 ASP HB3 1 83 LEU H 3.055 . 4.310 3.985 3.706 4.281 . 0 0 "[ . 1 . 2]" 1
718 1 83 LEU H 1 83 LEU HB2 2.800 . 3.800 3.602 3.499 3.709 . 0 0 "[ . 1 . 2]" 1
719 1 83 LEU H 1 83 LEU QB 2.420 . 3.040 2.409 2.181 2.598 . 0 0 "[ . 1 . 2]" 1
720 1 83 LEU H 1 83 LEU HB3 2.800 . 3.800 2.448 2.203 2.657 . 0 0 "[ . 1 . 2]" 1
721 1 83 LEU H 1 83 LEU MD1 2.985 . 4.170 3.051 2.019 3.820 . 0 0 "[ . 1 . 2]" 1
722 1 83 LEU H 1 83 LEU QD 2.680 . 3.560 2.571 1.959 3.275 . 0 0 "[ . 1 . 2]" 1
723 1 83 LEU H 1 83 LEU MD2 2.985 . 4.170 3.313 2.007 3.992 . 0 0 "[ . 1 . 2]" 1
724 1 83 LEU H 1 83 LEU HG 2.940 . 4.080 3.258 2.198 4.143 0.063 9 0 "[ . 1 . 2]" 1
725 1 83 LEU H 1 84 VAL H 2.725 . 3.650 2.531 2.183 2.822 . 0 0 "[ . 1 . 2]" 1
726 1 83 LEU H 1 84 VAL HB 3.510 . 5.220 5.157 4.836 5.537 0.317 4 0 "[ . 1 . 2]" 1
727 1 83 LEU H 1 85 MET H 3.070 . 4.340 3.952 3.520 4.277 . 0 0 "[ . 1 . 2]" 1
728 1 83 LEU H 1 86 GLN QB 3.570 . 5.340 5.287 4.347 5.438 0.098 1 0 "[ . 1 . 2]" 1
729 1 83 LEU HA 1 83 LEU MD1 3.030 . 4.260 3.093 2.078 3.904 . 0 0 "[ . 1 . 2]" 1
730 1 83 LEU HA 1 83 LEU QD 2.410 . 3.020 2.277 2.006 2.775 . 0 0 "[ . 1 . 2]" 1
731 1 83 LEU HA 1 83 LEU MD2 3.030 . 4.260 2.970 2.082 3.858 . 0 0 "[ . 1 . 2]" 1
732 1 83 LEU HA 1 83 LEU HG 2.975 . 4.150 3.070 2.539 3.803 . 0 0 "[ . 1 . 2]" 1
733 1 83 LEU HA 1 86 GLN H 3.065 . 4.330 3.534 3.254 3.994 . 0 0 "[ . 1 . 2]" 1
734 1 83 LEU HA 1 86 GLN QB 3.065 . 4.330 3.201 2.336 3.977 . 0 0 "[ . 1 . 2]" 1
735 1 83 LEU HA 1 86 GLN HG3 3.515 . 5.230 3.723 2.037 5.299 0.069 4 0 "[ . 1 . 2]" 1
736 1 83 LEU QB 1 84 VAL H 2.655 . 3.510 2.533 2.316 2.656 . 0 0 "[ . 1 . 2]" 1
737 1 83 LEU QD 1 84 VAL H 3.325 . 4.850 3.887 3.493 4.092 . 0 0 "[ . 1 . 2]" 1
738 1 83 LEU QD 1 86 GLN QE 2.935 . 4.070 2.978 2.024 4.139 0.069 14 0 "[ . 1 . 2]" 1
739 1 84 VAL H 1 84 VAL HB 2.490 . 3.180 2.852 2.488 3.380 0.200 19 0 "[ . 1 . 2]" 1
740 1 84 VAL H 1 84 VAL MG1 2.845 . 3.890 3.200 1.799 3.792 0.001 9 0 "[ . 1 . 2]" 1
741 1 84 VAL H 1 84 VAL QG 2.405 . 3.010 1.963 1.748 2.145 0.052 19 0 "[ . 1 . 2]" 1
742 1 84 VAL H 1 84 VAL MG2 2.845 . 3.890 2.078 1.810 3.028 . 0 0 "[ . 1 . 2]" 1
743 1 84 VAL H 1 85 MET H 2.655 . 3.510 2.606 2.479 2.840 . 0 0 "[ . 1 . 2]" 1
744 1 84 VAL HA 1 84 VAL MG1 2.680 . 3.560 2.374 2.235 2.671 . 0 0 "[ . 1 . 2]" 1
745 1 84 VAL HA 1 84 VAL QG 2.390 . 2.980 2.191 2.130 2.537 . 0 0 "[ . 1 . 2]" 1
746 1 84 VAL HA 1 84 VAL MG2 2.680 . 3.560 2.685 2.376 3.218 . 0 0 "[ . 1 . 2]" 1
747 1 84 VAL HA 1 87 ALA MB 2.680 . 3.560 2.828 2.429 3.233 . 0 0 "[ . 1 . 2]" 1
748 1 84 VAL HB 1 85 MET H 2.640 . 3.480 2.977 2.477 3.718 0.238 9 0 "[ . 1 . 2]" 1
749 1 84 VAL QG 1 85 MET HA 2.990 . 4.180 3.488 3.097 3.703 . 0 0 "[ . 1 . 2]" 1
750 1 84 VAL QG 1 87 ALA MB 2.785 . 3.770 3.502 3.075 3.850 0.080 9 0 "[ . 1 . 2]" 1
751 1 84 VAL QG 1 88 ARG H 3.620 . 5.440 5.086 4.358 5.620 0.180 16 0 "[ . 1 . 2]" 1
752 1 84 VAL MG1 1 85 MET H 2.905 . 4.010 3.650 3.284 4.077 0.067 7 0 "[ . 1 . 2]" 1
753 1 84 VAL MG1 1 87 ALA MB 3.225 . 4.650 3.667 3.183 4.250 . 0 0 "[ . 1 . 2]" 1
754 1 84 VAL MG2 1 85 MET H 2.905 . 4.010 3.205 2.070 3.884 . 0 0 "[ . 1 . 2]" 1
755 1 84 VAL MG2 1 87 ALA MB 3.225 . 4.650 4.488 4.066 4.785 0.135 19 0 "[ . 1 . 2]" 1
756 1 85 MET H 1 85 MET HB2 2.730 . 3.660 3.489 2.487 3.694 0.034 2 0 "[ . 1 . 2]" 1
757 1 85 MET H 1 85 MET HB3 2.730 . 3.660 2.606 2.236 3.667 0.007 4 0 "[ . 1 . 2]" 1
758 1 85 MET H 1 85 MET ME 3.170 . 4.540 4.253 3.776 4.558 0.018 2 0 "[ . 1 . 2]" 1
759 1 85 MET H 1 86 GLN H 2.705 . 3.610 2.649 2.518 2.874 . 0 0 "[ . 1 . 2]" 1
760 1 85 MET H 1 87 ALA MB 3.325 . 4.850 4.833 4.671 4.926 0.076 6 0 "[ . 1 . 2]" 1
761 1 85 MET HA 1 85 MET ME 3.200 . 4.600 4.459 3.800 4.610 0.010 6 0 "[ . 1 . 2]" 1
762 1 85 MET HA 1 87 ALA H 3.275 . 4.750 3.947 3.741 4.468 . 0 0 "[ . 1 . 2]" 1
763 1 85 MET HA 1 90 LEU H 2.990 . 4.180 3.304 2.708 4.029 . 0 0 "[ . 1 . 2]" 1
764 1 85 MET HA 1 90 LEU HB2 3.090 . 4.380 4.036 3.611 4.454 0.074 18 0 "[ . 1 . 2]" 1
765 1 85 MET HA 1 90 LEU QB 2.705 . 3.610 2.456 1.999 2.984 . 0 0 "[ . 1 . 2]" 1
766 1 85 MET HA 1 90 LEU HB3 3.090 . 4.380 2.479 2.009 3.037 . 0 0 "[ . 1 . 2]" 1
767 1 85 MET HA 1 90 LEU QD 2.835 . 3.870 2.004 1.780 2.313 0.020 18 0 "[ . 1 . 2]" 1
768 1 85 MET QB 1 85 MET ME 2.955 . 4.110 2.952 2.014 3.569 . 0 0 "[ . 1 . 2]" 1
769 1 85 MET QB 1 86 GLN H 2.505 . 3.210 2.702 2.345 3.367 0.157 11 0 "[ . 1 . 2]" 1
770 1 85 MET HB2 1 86 GLN H 2.790 . 3.780 3.584 2.640 3.896 0.116 4 0 "[ . 1 . 2]" 1
771 1 85 MET HB3 1 86 GLN H 2.790 . 3.780 2.859 2.387 3.813 0.033 1 0 "[ . 1 . 2]" 1
772 1 85 MET ME 1 90 LEU QD 3.360 . 4.920 4.379 3.737 4.935 0.015 8 0 "[ . 1 . 2]" 1
773 1 85 MET ME 1 91 ASP HA 3.055 . 4.310 3.882 2.767 4.381 0.071 5 0 "[ . 1 . 2]" 1
774 1 85 MET ME 1 92 MET H 2.910 . 4.020 3.699 2.971 4.105 0.085 13 0 "[ . 1 . 2]" 1
775 1 85 MET ME 1 92 MET HA 3.095 . 4.390 3.783 2.853 4.437 0.047 3 0 "[ . 1 . 2]" 1
776 1 85 MET ME 1 101 ILE MG 2.850 . 3.900 3.622 2.998 3.971 0.071 6 0 "[ . 1 . 2]" 1
777 1 86 GLN H 1 86 GLN HB2 2.885 . 3.970 3.151 2.209 3.665 . 0 0 "[ . 1 . 2]" 1
778 1 86 GLN H 1 86 GLN QB 2.625 . 3.450 2.415 1.964 2.566 . 0 0 "[ . 1 . 2]" 1
779 1 86 GLN H 1 86 GLN HB3 2.885 . 3.970 2.847 2.200 3.670 . 0 0 "[ . 1 . 2]" 1
780 1 86 GLN H 1 86 GLN HG3 2.885 . 3.970 3.102 2.146 4.045 0.075 3 0 "[ . 1 . 2]" 1
781 1 86 GLN H 1 87 ALA H 2.725 . 3.650 2.597 2.517 2.759 . 0 0 "[ . 1 . 2]" 1
782 1 86 GLN H 1 87 ALA MB 3.175 . 4.550 4.202 4.103 4.362 . 0 0 "[ . 1 . 2]" 1
783 1 86 GLN QB 1 86 GLN QE 3.185 . 4.570 2.683 1.795 3.733 0.005 11 0 "[ . 1 . 2]" 1
784 1 86 GLN QB 1 87 ALA H 2.930 . 4.060 3.207 2.350 3.840 . 0 0 "[ . 1 . 2]" 1
785 1 87 ALA H 1 87 ALA MB 2.435 . 3.070 2.228 2.153 2.332 . 0 0 "[ . 1 . 2]" 1
786 1 87 ALA HA 1 89 ASN H 3.030 . 4.260 4.223 4.040 4.338 0.078 6 0 "[ . 1 . 2]" 1
787 1 87 ALA MB 1 88 ARG H 2.615 . 3.430 2.977 2.880 3.234 . 0 0 "[ . 1 . 2]" 1
788 1 87 ALA MB 1 88 ARG HA 3.120 . 4.440 4.257 4.104 4.446 0.006 8 0 "[ . 1 . 2]" 1
789 1 87 ALA MB 1 89 ASN H 3.410 . 5.020 4.384 4.245 4.613 . 0 0 "[ . 1 . 2]" 1
790 1 88 ARG H 1 88 ARG HB2 2.915 . 4.030 3.521 2.658 3.997 . 0 0 "[ . 1 . 2]" 1
791 1 88 ARG H 1 88 ARG QB 2.640 . 3.480 2.732 2.539 3.372 . 0 0 "[ . 1 . 2]" 1
792 1 88 ARG H 1 88 ARG HB3 2.915 . 4.030 2.974 2.582 3.924 . 0 0 "[ . 1 . 2]" 1
793 1 88 ARG H 1 89 ASN H 2.580 . 3.360 1.848 1.756 2.041 0.044 20 0 "[ . 1 . 2]" 1
794 1 88 ARG H 1 89 ASN HA 3.230 . 4.660 3.757 3.574 4.044 . 0 0 "[ . 1 . 2]" 1
795 1 88 ARG H 1 90 LEU H 3.160 . 4.520 4.175 3.894 4.472 . 0 0 "[ . 1 . 2]" 1
796 1 88 ARG H 1 90 LEU MD1 3.650 . 5.500 4.365 2.838 5.400 . 0 0 "[ . 1 . 2]" 1
797 1 88 ARG H 1 90 LEU MD2 3.650 . 5.500 3.767 2.371 5.272 . 0 0 "[ . 1 . 2]" 1
798 1 88 ARG QB 1 90 LEU QD 2.755 . 3.710 2.263 1.803 3.624 . 0 0 "[ . 1 . 2]" 1
799 1 88 ARG QB 1 90 LEU HG 3.110 . 4.420 3.542 2.611 4.528 0.108 8 0 "[ . 1 . 2]" 1
800 1 89 ASN H 1 89 ASN HA 2.330 . 2.860 2.206 2.144 2.267 . 0 0 "[ . 1 . 2]" 1
801 1 89 ASN H 1 89 ASN HB2 2.945 . 4.090 4.024 3.652 4.106 0.016 17 0 "[ . 1 . 2]" 1
802 1 89 ASN H 1 89 ASN QB 2.665 . 3.530 3.276 2.899 3.376 . 0 0 "[ . 1 . 2]" 1
803 1 89 ASN H 1 89 ASN HB3 2.945 . 4.090 3.471 3.042 3.639 . 0 0 "[ . 1 . 2]" 1
804 1 89 ASN H 1 89 ASN QD 2.680 . 3.560 3.188 2.122 3.678 0.118 2 0 "[ . 1 . 2]" 1
805 1 89 ASN H 1 90 LEU H 2.665 . 3.530 3.409 3.246 3.493 . 0 0 "[ . 1 . 2]" 1
806 1 89 ASN H 1 90 LEU MD1 3.650 . 5.500 4.839 3.056 5.421 . 0 0 "[ . 1 . 2]" 1
807 1 89 ASN H 1 90 LEU MD2 3.650 . 5.500 4.012 2.924 5.522 0.022 20 0 "[ . 1 . 2]" 1
808 1 89 ASN HA 1 90 LEU H 2.650 . 3.500 2.101 2.038 2.181 . 0 0 "[ . 1 . 2]" 1
809 1 89 ASN QB 1 89 ASN QD 2.460 . 3.120 2.328 2.113 2.719 . 0 0 "[ . 1 . 2]" 1
810 1 90 LEU H 1 90 LEU QB 2.545 . 3.290 2.542 2.290 2.784 . 0 0 "[ . 1 . 2]" 1
811 1 90 LEU H 1 90 LEU MD1 3.110 . 4.420 3.799 2.442 4.143 . 0 0 "[ . 1 . 2]" 1
812 1 90 LEU H 1 90 LEU QD 2.810 . 3.820 2.887 1.909 3.590 . 0 0 "[ . 1 . 2]" 1
813 1 90 LEU H 1 90 LEU MD2 3.110 . 4.420 3.141 1.925 4.237 . 0 0 "[ . 1 . 2]" 1
814 1 90 LEU H 1 90 LEU HG 2.870 . 3.940 3.444 2.633 4.154 0.214 9 0 "[ . 1 . 2]" 1
815 1 90 LEU HA 1 90 LEU MD1 3.195 . 4.590 3.202 2.120 3.983 . 0 0 "[ . 1 . 2]" 1
816 1 90 LEU HA 1 90 LEU QD 2.595 . 3.390 2.252 2.093 2.719 . 0 0 "[ . 1 . 2]" 1
817 1 90 LEU HA 1 90 LEU MD2 3.195 . 4.590 2.652 2.102 3.796 . 0 0 "[ . 1 . 2]" 1
818 1 90 LEU QB 1 90 LEU QD 2.335 . 2.870 1.976 1.913 2.058 . 0 0 "[ . 1 . 2]" 1
819 1 90 LEU QB 1 91 ASP H 2.700 . 3.600 2.024 1.787 2.205 0.013 18 0 "[ . 1 . 2]" 1
820 1 90 LEU QB 1 101 ILE MG 3.190 . 4.580 2.434 2.114 2.754 . 0 0 "[ . 1 . 2]" 1
821 1 90 LEU QD 1 102 ALA HA 3.545 . 5.290 3.431 2.998 4.348 . 0 0 "[ . 1 . 2]" 1
822 1 90 LEU QD 1 103 PRO HA 2.560 . 3.320 1.980 1.789 3.003 0.011 3 0 "[ . 1 . 2]" 1
823 1 90 LEU QD 1 103 PRO QB 2.845 . 3.890 2.865 2.329 3.599 . 0 0 "[ . 1 . 2]" 1
824 1 90 LEU QD 1 103 PRO HG3 3.400 . 5.000 4.427 3.718 4.985 . 0 0 "[ . 1 . 2]" 1
825 1 90 LEU QD 1 104 ARG H 2.885 . 3.970 3.510 2.982 3.905 . 0 0 "[ . 1 . 2]" 1
826 1 90 LEU MD1 1 91 ASP H 2.960 . 4.120 3.900 3.047 4.350 0.230 20 0 "[ . 1 . 2]" 1
827 1 90 LEU MD2 1 91 ASP H 2.960 . 4.120 3.875 3.197 4.344 0.224 16 0 "[ . 1 . 2]" 1
828 1 90 LEU HG 1 91 ASP H 3.280 . 4.760 4.444 3.762 4.804 0.044 11 0 "[ . 1 . 2]" 1
829 1 90 LEU HG 1 102 ALA H 3.500 . 5.200 5.244 4.367 5.432 0.232 15 0 "[ . 1 . 2]" 1
830 1 91 ASP H 1 91 ASP QB 2.735 . 3.670 2.684 2.464 2.861 . 0 0 "[ . 1 . 2]" 1
831 1 91 ASP H 1 101 ILE MG 3.065 . 4.330 3.567 3.187 3.967 . 0 0 "[ . 1 . 2]" 1
832 1 91 ASP H 1 102 ALA H 3.010 . 4.220 2.813 2.447 3.368 . 0 0 "[ . 1 . 2]" 1
833 1 91 ASP H 1 103 PRO HA 3.190 . 4.580 3.919 3.473 4.550 . 0 0 "[ . 1 . 2]" 1
834 1 91 ASP QB 1 92 MET H 2.840 . 3.880 3.242 2.489 3.626 . 0 0 "[ . 1 . 2]" 1
835 1 91 ASP QB 1 102 ALA MB 3.435 . 5.070 3.806 2.681 4.722 . 0 0 "[ . 1 . 2]" 1
836 1 91 ASP QB 1 104 ARG HA 2.750 . 3.700 3.124 2.186 3.664 . 0 0 "[ . 1 . 2]" 1
837 1 91 ASP QB 1 104 ARG QB 2.980 . 4.160 3.563 2.193 4.184 0.024 18 0 "[ . 1 . 2]" 1
838 1 91 ASP QB 1 107 LEU QD 2.700 . 3.600 1.909 1.746 2.121 0.054 19 0 "[ . 1 . 2]" 1
839 1 91 ASP QB 1 107 LEU HG 2.895 . 3.990 3.196 2.249 4.057 0.067 16 0 "[ . 1 . 2]" 1
840 1 91 ASP HB2 1 92 MET H 3.130 . 4.460 3.493 2.519 4.020 . 0 0 "[ . 1 . 2]" 1
841 1 91 ASP HB2 1 104 ARG HA 3.015 . 4.230 3.903 2.969 4.302 0.072 6 0 "[ . 1 . 2]" 1
842 1 91 ASP HB2 1 107 LEU MD1 3.345 . 4.890 2.622 1.852 3.665 . 0 0 "[ . 1 . 2]" 1
843 1 91 ASP HB2 1 107 LEU MD2 3.345 . 4.890 2.444 1.971 3.832 . 0 0 "[ . 1 . 2]" 1
844 1 91 ASP HB2 1 107 LEU HG 3.230 . 4.660 3.392 2.286 4.587 . 0 0 "[ . 1 . 2]" 1
845 1 91 ASP HB3 1 92 MET H 3.130 . 4.460 3.944 3.742 4.168 . 0 0 "[ . 1 . 2]" 1
846 1 91 ASP HB3 1 104 ARG HA 3.015 . 4.230 3.329 2.236 3.977 . 0 0 "[ . 1 . 2]" 1
847 1 91 ASP HB3 1 107 LEU MD1 3.345 . 4.890 3.273 2.027 4.897 0.007 20 0 "[ . 1 . 2]" 1
848 1 91 ASP HB3 1 107 LEU MD2 3.345 . 4.890 3.115 2.040 4.951 0.061 13 0 "[ . 1 . 2]" 1
849 1 91 ASP HB3 1 107 LEU HG 3.230 . 4.660 4.014 2.928 4.794 0.134 19 0 "[ . 1 . 2]" 1
850 1 92 MET H 1 92 MET QB 2.740 . 3.680 2.718 2.290 3.105 . 0 0 "[ . 1 . 2]" 1
851 1 92 MET H 1 92 MET HG3 3.520 . 5.240 3.306 2.155 4.637 . 0 0 "[ . 1 . 2]" 1
852 1 92 MET H 1 101 ILE MD 3.650 . 5.500 4.532 3.799 5.213 . 0 0 "[ . 1 . 2]" 1
853 1 92 MET H 1 107 LEU MD1 3.650 . 5.500 4.908 3.042 5.522 0.022 12 0 "[ . 1 . 2]" 1
854 1 92 MET H 1 107 LEU QD 3.245 . 4.690 4.253 3.028 4.715 0.025 2 0 "[ . 1 . 2]" 1
855 1 92 MET H 1 107 LEU MD2 3.650 . 5.500 4.844 3.346 5.545 0.045 9 0 "[ . 1 . 2]" 1
856 1 92 MET HA 1 93 ARG H 2.530 . 3.260 2.088 1.915 2.183 . 0 0 "[ . 1 . 2]" 1
857 1 92 MET HA 1 99 VAL QG 3.155 . 4.510 3.577 2.698 4.517 0.007 16 0 "[ . 1 . 2]" 1
858 1 92 MET HA 1 101 ILE HA 2.780 . 3.760 2.885 2.426 3.318 . 0 0 "[ . 1 . 2]" 1
859 1 92 MET HA 1 101 ILE MD 2.955 . 4.110 2.495 2.166 2.986 . 0 0 "[ . 1 . 2]" 1
860 1 92 MET HA 1 102 ALA H 3.205 . 4.610 4.092 3.157 4.635 0.025 6 0 "[ . 1 . 2]" 1
861 1 92 MET QB 1 93 ARG H 2.945 . 4.090 3.411 2.739 3.898 . 0 0 "[ . 1 . 2]" 1
862 1 92 MET QB 1 101 ILE MD 2.725 . 3.650 2.626 1.913 3.666 0.016 13 0 "[ . 1 . 2]" 1
863 1 92 MET QB 1 101 ILE MG 3.535 . 5.270 4.267 3.419 5.285 0.015 6 0 "[ . 1 . 2]" 1
864 1 92 MET ME 1 92 MET HG3 3.065 . 4.330 2.960 2.387 3.430 . 0 0 "[ . 1 . 2]" 1
865 1 92 MET ME 1 93 ARG H 3.325 . 4.850 4.732 3.887 4.955 0.105 14 0 "[ . 1 . 2]" 1
866 1 92 MET ME 1 94 GLN HA 3.185 . 4.570 4.336 3.764 4.634 0.064 20 0 "[ . 1 . 2]" 1
867 1 92 MET ME 1 99 VAL HA 3.385 . 4.970 4.635 3.886 4.993 0.023 11 0 "[ . 1 . 2]" 1
868 1 92 MET ME 1 99 VAL QG 2.430 . 3.060 1.975 1.770 2.351 0.030 4 0 "[ . 1 . 2]" 1
869 1 92 MET ME 1 100 ASN H 3.650 . 5.500 5.225 4.261 5.515 0.015 4 0 "[ . 1 . 2]" 1
870 1 92 MET HG3 1 93 ARG H 3.355 . 4.910 4.287 3.284 5.041 0.131 17 0 "[ . 1 . 2]" 1
871 1 92 MET HG3 1 101 ILE MD 3.445 . 5.090 4.016 2.156 4.749 . 0 0 "[ . 1 . 2]" 1
872 1 93 ARG H 1 93 ARG QB 2.515 . 3.230 2.517 2.288 3.109 . 0 0 "[ . 1 . 2]" 1
873 1 93 ARG H 1 99 VAL QG 2.905 . 4.010 3.275 2.570 4.119 0.109 16 0 "[ . 1 . 2]" 1
874 1 93 ARG H 1 100 ASN QB 3.160 . 4.520 3.622 2.806 4.603 0.083 20 0 "[ . 1 . 2]" 1
875 1 93 ARG H 1 101 ILE MD 3.240 . 4.680 3.617 3.218 4.278 . 0 0 "[ . 1 . 2]" 1
876 1 93 ARG HA 1 93 ARG HD3 3.055 . 4.310 3.344 1.977 4.452 0.142 13 0 "[ . 1 . 2]" 1
877 1 93 ARG HA 1 94 GLN H 2.535 . 3.270 2.153 2.000 2.282 . 0 0 "[ . 1 . 2]" 1
878 1 93 ARG QB 1 94 GLN H 3.055 . 4.310 3.726 3.214 3.958 . 0 0 "[ . 1 . 2]" 1
879 1 94 GLN H 1 94 GLN HB2 2.775 . 3.750 3.005 2.429 3.684 . 0 0 "[ . 1 . 2]" 1
880 1 94 GLN H 1 94 GLN HB3 2.775 . 3.750 3.086 2.537 3.796 0.046 14 0 "[ . 1 . 2]" 1
881 1 94 GLN H 1 94 GLN HG3 3.525 . 5.250 3.487 1.949 5.170 . 0 0 "[ . 1 . 2]" 1
882 1 94 GLN H 1 95 GLN H 3.165 . 4.530 4.327 4.035 4.523 . 0 0 "[ . 1 . 2]" 1
883 1 94 GLN HA 1 94 GLN HG3 3.015 . 4.230 3.286 2.526 3.792 . 0 0 "[ . 1 . 2]" 1
884 1 94 GLN HA 1 95 GLN H 2.405 . 3.010 2.130 2.010 2.931 . 0 0 "[ . 1 . 2]" 1
885 1 94 GLN HA 1 99 VAL HA 2.775 . 3.750 2.314 1.877 4.047 0.297 20 0 "[ . 1 . 2]" 1
886 1 94 GLN HA 1 99 VAL QG 3.015 . 4.230 2.421 1.901 4.316 0.086 20 0 "[ . 1 . 2]" 1
887 1 94 GLN HA 1 100 ASN H 2.925 . 4.050 3.474 3.148 4.150 0.100 20 0 "[ . 1 . 2]" 1
888 1 94 GLN QB 1 99 VAL QG 3.030 . 4.260 2.310 1.832 3.464 . 0 0 "[ . 1 . 2]" 1
889 1 94 GLN HB2 1 99 VAL MG1 3.650 . 5.500 3.397 1.972 5.364 . 0 0 "[ . 1 . 2]" 1
890 1 94 GLN HB2 1 99 VAL MG2 3.650 . 5.500 3.602 2.029 5.686 0.186 4 0 "[ . 1 . 2]" 1
891 1 94 GLN HB3 1 99 VAL MG1 3.650 . 5.500 3.595 1.844 5.398 . 0 0 "[ . 1 . 2]" 1
892 1 94 GLN HB3 1 99 VAL MG2 3.650 . 5.500 3.489 2.230 5.700 0.200 16 0 "[ . 1 . 2]" 1
893 1 95 GLN H 1 95 GLN HB2 2.950 . 4.100 3.458 2.837 3.793 . 0 0 "[ . 1 . 2]" 1
894 1 95 GLN H 1 95 GLN QB 2.555 . 3.310 2.740 2.252 3.219 . 0 0 "[ . 1 . 2]" 1
895 1 95 GLN H 1 95 GLN HB3 2.950 . 4.100 3.096 2.278 3.936 . 0 0 "[ . 1 . 2]" 1
896 1 95 GLN H 1 98 ILE H 2.915 . 4.030 3.737 3.122 4.112 0.082 20 0 "[ . 1 . 2]" 1
897 1 95 GLN H 1 98 ILE MG 3.215 . 4.630 4.402 3.963 4.646 0.016 8 0 "[ . 1 . 2]" 1
898 1 95 GLN H 1 99 VAL H 3.475 . 5.150 4.819 4.449 5.172 0.022 17 0 "[ . 1 . 2]" 1
899 1 95 GLN H 1 99 VAL HA 2.985 . 4.170 2.954 2.597 3.660 . 0 0 "[ . 1 . 2]" 1
900 1 95 GLN H 1 99 VAL QG 3.620 . 5.440 3.449 2.924 4.529 . 0 0 "[ . 1 . 2]" 1
901 1 95 GLN H 1 100 ASN H 3.245 . 4.690 4.289 3.958 4.707 0.017 3 0 "[ . 1 . 2]" 1
902 1 95 GLN QE 1 98 ILE MG 2.915 . 4.030 2.781 1.947 4.070 0.040 10 0 "[ . 1 . 2]" 1
903 1 95 GLN QE 1 99 VAL QG 2.915 . 4.030 4.048 3.555 4.223 0.193 20 0 "[ . 1 . 2]" 1
904 1 95 GLN QE 1 100 ASN QB 3.175 . 4.550 2.897 2.071 4.595 0.045 20 0 "[ . 1 . 2]" 1
905 1 97 ASN H 1 98 ILE H 3.100 . 4.400 2.372 1.896 3.476 . 0 0 "[ . 1 . 2]" 1
906 1 97 ASN QB 1 98 ILE MD 2.805 . 3.810 2.697 1.921 3.706 . 0 0 "[ . 1 . 2]" 1
907 1 97 ASN HB2 1 98 ILE MD 3.200 . 4.600 3.061 2.015 4.299 . 0 0 "[ . 1 . 2]" 1
908 1 97 ASN HB3 1 98 ILE MD 3.200 . 4.600 3.495 2.009 4.708 0.108 19 0 "[ . 1 . 2]" 1
909 1 98 ILE H 1 98 ILE HB 2.445 . 3.090 2.619 2.530 2.803 . 0 0 "[ . 1 . 2]" 1
910 1 98 ILE H 1 98 ILE MD 2.710 . 3.620 2.527 2.006 3.539 . 0 0 "[ . 1 . 2]" 1
911 1 98 ILE H 1 98 ILE MG 2.910 . 4.020 3.828 3.783 3.908 . 0 0 "[ . 1 . 2]" 1
912 1 98 ILE H 1 99 VAL H 3.285 . 4.770 4.337 4.142 4.554 . 0 0 "[ . 1 . 2]" 1
913 1 98 ILE H 1 99 VAL QG 3.580 . 5.360 4.097 3.587 5.011 . 0 0 "[ . 1 . 2]" 1
914 1 98 ILE HA 1 98 ILE MD 2.800 . 3.800 3.006 2.089 3.828 0.028 19 0 "[ . 1 . 2]" 1
915 1 98 ILE HA 1 98 ILE MG 2.560 . 3.320 2.415 2.335 2.509 . 0 0 "[ . 1 . 2]" 1
916 1 98 ILE HA 1 99 VAL H 2.410 . 3.020 2.165 2.087 2.275 . 0 0 "[ . 1 . 2]" 1
917 1 98 ILE HA 1 99 VAL QG 2.895 . 3.990 3.393 3.187 3.600 . 0 0 "[ . 1 . 2]" 1
918 1 98 ILE HB 1 98 ILE MD 2.575 . 3.350 2.575 2.361 3.259 . 0 0 "[ . 1 . 2]" 1
919 1 98 ILE MD 1 99 VAL H 3.485 . 5.170 4.725 3.726 5.183 0.013 19 0 "[ . 1 . 2]" 1
920 1 98 ILE HG13 1 98 ILE MG 2.810 . 3.820 2.407 2.155 3.220 . 0 0 "[ . 1 . 2]" 1
921 1 98 ILE MG 1 99 VAL H 2.535 . 3.270 2.709 2.326 3.258 . 0 0 "[ . 1 . 2]" 1
922 1 98 ILE MG 1 99 VAL HA 3.080 . 4.360 3.702 3.363 4.098 . 0 0 "[ . 1 . 2]" 1
923 1 98 ILE MG 1 100 ASN H 3.165 . 4.530 4.279 3.908 4.541 0.011 1 0 "[ . 1 . 2]" 1
924 1 98 ILE MG 1 100 ASN QB 3.355 . 4.910 4.257 3.491 5.000 0.090 11 0 "[ . 1 . 2]" 1
925 1 99 VAL H 1 99 VAL HB 2.645 . 3.490 2.969 2.541 3.687 0.197 1 0 "[ . 1 . 2]" 1
926 1 99 VAL H 1 99 VAL QG 2.605 . 3.410 2.407 1.914 2.785 . 0 0 "[ . 1 . 2]" 1
927 1 99 VAL H 1 100 ASN H 3.145 . 4.490 4.300 4.165 4.399 . 0 0 "[ . 1 . 2]" 1
928 1 99 VAL HA 1 99 VAL MG1 2.610 . 3.420 2.451 2.144 3.168 . 0 0 "[ . 1 . 2]" 1
929 1 99 VAL HA 1 99 VAL MG2 2.610 . 3.420 2.629 2.370 3.184 . 0 0 "[ . 1 . 2]" 1
930 1 99 VAL HA 1 100 ASN H 2.385 . 2.970 2.142 2.019 2.254 . 0 0 "[ . 1 . 2]" 1
931 1 99 VAL HA 1 100 ASN QB 3.160 . 4.520 4.167 3.829 4.492 . 0 0 "[ . 1 . 2]" 1
932 1 99 VAL HB 1 100 ASN H 3.075 . 4.350 3.739 2.595 4.224 . 0 0 "[ . 1 . 2]" 1
933 1 99 VAL QG 1 100 ASN H 2.600 . 3.400 2.724 2.260 3.338 . 0 0 "[ . 1 . 2]" 1
934 1 99 VAL QG 1 100 ASN QB 3.130 . 4.460 4.166 3.802 4.580 0.120 3 0 "[ . 1 . 2]" 1
935 1 100 ASN H 1 100 ASN QB 2.460 . 3.120 2.433 2.279 2.613 . 0 0 "[ . 1 . 2]" 1
936 1 100 ASN H 1 101 ILE H 3.170 . 4.540 4.354 4.241 4.464 . 0 0 "[ . 1 . 2]" 1
937 1 100 ASN H 1 101 ILE MD 3.515 . 5.230 4.522 4.076 4.904 . 0 0 "[ . 1 . 2]" 1
938 1 100 ASN HA 1 101 ILE H 2.435 . 3.070 2.131 2.036 2.282 . 0 0 "[ . 1 . 2]" 1
939 1 100 ASN QB 1 100 ASN QD 2.505 . 3.210 2.240 2.095 2.692 . 0 0 "[ . 1 . 2]" 1
940 1 100 ASN QB 1 101 ILE H 3.060 . 4.320 3.387 2.803 3.847 . 0 0 "[ . 1 . 2]" 1
941 1 101 ILE H 1 101 ILE HB 2.670 . 3.540 2.560 2.420 2.724 . 0 0 "[ . 1 . 2]" 1
942 1 101 ILE H 1 101 ILE MD 3.055 . 4.310 3.664 3.356 4.074 . 0 0 "[ . 1 . 2]" 1
943 1 101 ILE H 1 101 ILE HG13 3.165 . 4.530 2.622 2.330 3.084 . 0 0 "[ . 1 . 2]" 1
944 1 101 ILE H 1 101 ILE MG 3.085 . 4.370 3.809 3.725 3.887 . 0 0 "[ . 1 . 2]" 1
945 1 101 ILE H 1 102 ALA H 3.135 . 4.470 4.391 4.049 4.530 0.060 7 0 "[ . 1 . 2]" 1
946 1 101 ILE HA 1 101 ILE MD 2.720 . 3.640 2.175 2.075 2.302 . 0 0 "[ . 1 . 2]" 1
947 1 101 ILE HA 1 101 ILE MG 2.625 . 3.450 2.420 2.351 2.503 . 0 0 "[ . 1 . 2]" 1
948 1 101 ILE HA 1 102 ALA H 2.375 . 2.950 2.256 2.066 2.446 . 0 0 "[ . 1 . 2]" 1
949 1 101 ILE HA 1 102 ALA MB 3.010 . 4.220 3.862 3.683 3.959 . 0 0 "[ . 1 . 2]" 1
950 1 101 ILE HB 1 101 ILE MD 2.690 . 3.580 3.251 3.229 3.279 . 0 0 "[ . 1 . 2]" 1
951 1 101 ILE HB 1 102 ALA H 3.595 . 5.390 4.066 3.753 4.322 . 0 0 "[ . 1 . 2]" 1
952 1 101 ILE MD 1 102 ALA H 3.375 . 4.950 3.827 3.687 3.997 . 0 0 "[ . 1 . 2]" 1
953 1 101 ILE MG 1 102 ALA H 2.515 . 3.230 2.563 2.078 3.115 . 0 0 "[ . 1 . 2]" 1
954 1 101 ILE MG 1 102 ALA MB 3.515 . 5.230 4.152 3.988 4.368 . 0 0 "[ . 1 . 2]" 1
955 1 102 ALA H 1 102 ALA MB 2.610 . 3.420 2.673 2.338 2.874 . 0 0 "[ . 1 . 2]" 1
956 1 102 ALA MB 1 103 PRO QB 3.570 . 5.340 4.453 4.043 4.647 . 0 0 "[ . 1 . 2]" 1
957 1 102 ALA MB 1 103 PRO HD3 2.680 . 3.560 2.323 2.041 2.678 . 0 0 "[ . 1 . 2]" 1
958 1 102 ALA MB 1 106 GLU HA 3.570 . 5.340 4.932 4.417 5.365 0.025 17 0 "[ . 1 . 2]" 1
959 1 102 ALA MB 1 106 GLU QB 2.640 . 3.480 2.327 1.950 2.707 . 0 0 "[ . 1 . 2]" 1
960 1 102 ALA MB 1 107 LEU H 3.140 . 4.480 4.099 3.678 4.497 0.017 6 0 "[ . 1 . 2]" 1
961 1 102 ALA MB 1 107 LEU HA 3.650 . 5.500 4.847 4.012 5.553 0.053 5 0 "[ . 1 . 2]" 1
962 1 102 ALA MB 1 107 LEU QD 2.465 . 3.130 2.421 2.030 3.241 0.111 7 0 "[ . 1 . 2]" 1
963 1 103 PRO HA 1 104 ARG H 2.605 . 3.410 2.298 2.163 3.280 . 0 0 "[ . 1 . 2]" 1
964 1 103 PRO QB 1 104 ARG H 2.930 . 4.060 2.926 2.733 3.408 . 0 0 "[ . 1 . 2]" 1
965 1 103 PRO QB 1 105 ASP H 2.715 . 3.630 2.464 2.160 2.822 . 0 0 "[ . 1 . 2]" 1
966 1 103 PRO QB 1 106 GLU H 3.065 . 4.330 2.954 2.078 3.464 . 0 0 "[ . 1 . 2]" 1
967 1 103 PRO HB2 1 105 ASP H 3.145 . 4.490 3.851 3.096 4.426 . 0 0 "[ . 1 . 2]" 1
968 1 103 PRO HB2 1 106 GLU H 3.360 . 4.920 4.598 3.808 4.951 0.031 5 0 "[ . 1 . 2]" 1
969 1 103 PRO HB3 1 105 ASP H 3.145 . 4.490 2.500 2.171 2.855 . 0 0 "[ . 1 . 2]" 1
970 1 103 PRO HB3 1 106 GLU H 3.360 . 4.920 2.994 2.087 3.537 . 0 0 "[ . 1 . 2]" 1
971 1 103 PRO HG3 1 105 ASP H 3.625 . 5.450 4.268 3.344 4.708 . 0 0 "[ . 1 . 2]" 1
972 1 104 ARG H 1 104 ARG HB2 2.960 . 4.120 2.620 2.410 3.411 . 0 0 "[ . 1 . 2]" 1
973 1 104 ARG H 1 104 ARG HB3 2.960 . 4.120 2.836 2.352 3.695 . 0 0 "[ . 1 . 2]" 1
974 1 104 ARG H 1 105 ASP H 2.720 . 3.640 2.667 2.406 3.105 . 0 0 "[ . 1 . 2]" 1
975 1 104 ARG HA 1 107 LEU QD 3.050 . 4.300 2.318 1.865 3.628 . 0 0 "[ . 1 . 2]" 1
976 1 104 ARG QB 1 105 ASP H 3.075 . 4.350 3.055 2.544 3.767 . 0 0 "[ . 1 . 2]" 1
977 1 105 ASP H 1 105 ASP HB2 2.865 . 3.930 3.171 2.409 3.665 . 0 0 "[ . 1 . 2]" 1
978 1 105 ASP H 1 105 ASP HB3 2.865 . 3.930 2.535 2.338 2.668 . 0 0 "[ . 1 . 2]" 1
979 1 105 ASP H 1 106 GLU H 2.915 . 4.030 2.737 2.513 2.899 . 0 0 "[ . 1 . 2]" 1
980 1 105 ASP H 1 106 GLU QB 3.570 . 5.340 4.627 4.254 4.893 . 0 0 "[ . 1 . 2]" 1
981 1 105 ASP HA 1 108 LEU H 3.190 . 4.580 3.588 3.323 3.947 . 0 0 "[ . 1 . 2]" 1
982 1 105 ASP HA 1 108 LEU QB 2.910 . 4.020 3.136 2.254 4.160 0.140 6 0 "[ . 1 . 2]" 1
983 1 105 ASP QB 1 108 LEU QD 3.050 . 4.300 3.899 3.202 4.374 0.074 2 0 "[ . 1 . 2]" 1
984 1 106 GLU H 1 106 GLU QB 2.575 . 3.350 2.330 2.161 2.489 . 0 0 "[ . 1 . 2]" 1
985 1 106 GLU QB 1 107 LEU H 2.930 . 4.060 2.709 2.424 3.018 . 0 0 "[ . 1 . 2]" 1
986 1 106 GLU QB 1 107 LEU QD 3.420 . 5.040 2.853 2.211 4.296 . 0 0 "[ . 1 . 2]" 1
987 1 107 LEU H 1 107 LEU HB2 2.920 . 4.040 3.560 2.638 3.688 . 0 0 "[ . 1 . 2]" 1
988 1 107 LEU H 1 107 LEU QB 2.615 . 3.430 2.381 2.071 2.566 . 0 0 "[ . 1 . 2]" 1
989 1 107 LEU H 1 107 LEU HB3 2.920 . 4.040 2.421 2.166 2.618 . 0 0 "[ . 1 . 2]" 1
990 1 107 LEU H 1 107 LEU MD1 3.055 . 4.310 3.142 1.960 4.074 . 0 0 "[ . 1 . 2]" 1
991 1 107 LEU H 1 107 LEU QD 2.745 . 3.690 2.361 1.957 3.454 . 0 0 "[ . 1 . 2]" 1
992 1 107 LEU H 1 107 LEU MD2 3.055 . 4.310 3.102 2.028 4.199 . 0 0 "[ . 1 . 2]" 1
993 1 107 LEU H 1 107 LEU HG 3.025 . 4.250 3.481 2.274 4.320 0.070 7 0 "[ . 1 . 2]" 1
994 1 107 LEU HA 1 107 LEU MD1 2.680 . 3.560 2.759 2.025 3.717 0.157 14 0 "[ . 1 . 2]" 1
995 1 107 LEU HA 1 107 LEU QD 2.350 . 2.900 2.288 1.986 2.948 0.048 19 0 "[ . 1 . 2]" 1
996 1 107 LEU HA 1 107 LEU MD2 2.680 . 3.560 2.955 2.024 3.719 0.159 7 0 "[ . 1 . 2]" 1
997 1 107 LEU HA 1 107 LEU HG 2.815 . 3.830 3.103 2.302 3.819 . 0 0 "[ . 1 . 2]" 1
998 1 107 LEU HA 1 110 LYS H 3.335 . 4.870 3.479 3.085 4.101 . 0 0 "[ . 1 . 2]" 1
999 1 107 LEU HA 1 110 LYS QB 2.880 . 3.960 3.014 2.309 3.976 0.016 20 0 "[ . 1 . 2]" 1
1000 1 107 LEU QD 1 108 LEU H 3.050 . 4.300 3.909 3.791 4.170 . 0 0 "[ . 1 . 2]" 1
1001 1 107 LEU MD1 1 108 LEU H 3.480 . 5.160 4.473 4.040 5.005 . 0 0 "[ . 1 . 2]" 1
1002 1 107 LEU MD2 1 108 LEU H 3.480 . 5.160 4.468 3.994 5.180 0.020 19 0 "[ . 1 . 2]" 1
1003 1 108 LEU H 1 108 LEU HB2 2.740 . 3.680 3.261 1.979 3.609 . 0 0 "[ . 1 . 2]" 1
1004 1 108 LEU H 1 108 LEU QB 2.390 . 2.980 2.372 1.914 2.601 . 0 0 "[ . 1 . 2]" 1
1005 1 108 LEU H 1 108 LEU HB3 2.740 . 3.680 2.631 2.121 3.731 0.051 6 0 "[ . 1 . 2]" 1
1006 1 108 LEU H 1 108 LEU QD 2.880 . 3.960 2.655 1.891 3.604 . 0 0 "[ . 1 . 2]" 1
1007 1 108 LEU H 1 108 LEU HG 2.700 . 3.600 2.960 2.136 3.866 0.266 19 0 "[ . 1 . 2]" 1
1008 1 108 LEU H 1 109 ALA H 2.725 . 3.650 2.611 2.329 2.843 . 0 0 "[ . 1 . 2]" 1
1009 1 108 LEU HA 1 108 LEU HG 2.985 . 4.170 3.338 2.255 3.803 . 0 0 "[ . 1 . 2]" 1
1010 1 108 LEU QB 1 108 LEU QD 2.325 . 2.850 1.968 1.822 2.084 . 0 0 "[ . 1 . 2]" 1
1011 1 108 LEU QB 1 109 ALA H 2.750 . 3.700 2.637 2.164 3.742 0.042 13 0 "[ . 1 . 2]" 1
1012 1 108 LEU HB2 1 109 ALA H 3.075 . 4.350 3.459 2.570 4.254 . 0 0 "[ . 1 . 2]" 1
1013 1 108 LEU HB3 1 109 ALA H 3.075 . 4.350 2.888 2.234 4.190 . 0 0 "[ . 1 . 2]" 1
1014 1 108 LEU QD 1 109 ALA H 3.200 . 4.600 3.678 2.518 4.175 . 0 0 "[ . 1 . 2]" 1
1015 1 108 LEU HG 1 109 ALA H 3.180 . 4.560 4.080 2.674 4.698 0.138 20 0 "[ . 1 . 2]" 1
1016 1 109 ALA H 1 109 ALA MB 2.415 . 3.030 2.247 2.224 2.268 . 0 0 "[ . 1 . 2]" 1
1017 1 109 ALA H 1 110 LYS H 2.880 . 3.960 2.688 2.486 3.032 . 0 0 "[ . 1 . 2]" 1
1018 1 109 ALA MB 1 110 LYS H 2.665 . 3.530 2.654 2.356 3.068 . 0 0 "[ . 1 . 2]" 1
1019 1 110 LYS H 1 110 LYS QB 2.560 . 3.320 2.353 2.126 2.695 . 0 0 "[ . 1 . 2]" 1
1020 1 110 LYS H 1 111 ASP H 2.870 . 3.940 2.687 2.517 3.003 . 0 0 "[ . 1 . 2]" 1
1021 1 110 LYS QB 1 111 ASP H 2.800 . 3.800 2.792 2.287 3.805 0.005 10 0 "[ . 1 . 2]" 1
1022 1 111 ASP H 1 111 ASP HB2 2.965 . 4.130 3.369 2.144 3.679 . 0 0 "[ . 1 . 2]" 1
1023 1 111 ASP H 1 111 ASP HB3 2.965 . 4.130 2.531 2.145 3.645 . 0 0 "[ . 1 . 2]" 1
1024 1 111 ASP H 1 112 LYS H 3.205 . 4.610 2.551 2.353 2.690 . 0 0 "[ . 1 . 2]" 1
1025 1 111 ASP QB 1 112 LYS H 2.820 . 3.840 2.691 2.051 3.418 . 0 0 "[ . 1 . 2]" 1
1026 1 111 ASP QB 1 112 LYS HA 2.890 . 3.980 3.783 3.140 4.061 0.081 11 0 "[ . 1 . 2]" 1
1027 1 111 ASP HB2 1 112 LYS H 3.115 . 4.430 3.405 2.072 4.111 . 0 0 "[ . 1 . 2]" 1
1028 1 111 ASP HB2 1 112 LYS HA 3.170 . 4.540 4.161 3.184 4.863 0.323 17 0 "[ . 1 . 2]" 1
1029 1 111 ASP HB3 1 112 LYS H 3.115 . 4.430 3.010 2.390 4.065 . 0 0 "[ . 1 . 2]" 1
1030 1 111 ASP HB3 1 112 LYS HA 3.170 . 4.540 4.495 4.071 4.827 0.287 9 0 "[ . 1 . 2]" 1
1031 1 112 LYS H 1 112 LYS HB2 2.790 . 3.780 3.104 2.375 3.689 . 0 0 "[ . 1 . 2]" 1
1032 1 112 LYS H 1 112 LYS QB 2.515 . 3.230 2.333 2.146 2.516 . 0 0 "[ . 1 . 2]" 1
1033 1 112 LYS H 1 112 LYS HB3 2.790 . 3.780 2.494 2.255 2.658 . 0 0 "[ . 1 . 2]" 1
1034 1 112 LYS HA 1 112 LYS HG3 2.745 . 3.690 2.873 2.308 3.734 0.044 16 0 "[ . 1 . 2]" 1
1035 1 112 LYS QB 1 113 ALA H 2.925 . 4.050 2.820 2.195 3.412 . 0 0 "[ . 1 . 2]" 1
1036 1 112 LYS HB2 1 113 ALA H 3.235 . 4.670 3.386 2.216 4.225 . 0 0 "[ . 1 . 2]" 1
1037 1 112 LYS HB3 1 113 ALA H 3.235 . 4.670 3.427 2.460 4.244 . 0 0 "[ . 1 . 2]" 1
1038 1 113 ALA H 1 113 ALA MB 2.450 . 3.100 2.266 2.220 2.348 . 0 0 "[ . 1 . 2]" 1
1039 1 113 ALA MB 1 114 PHE H 2.950 . 4.100 2.337 1.811 3.368 . 0 0 "[ . 1 . 2]" 1
1040 1 113 ALA MB 1 114 PHE HA 2.885 . 3.970 3.927 3.729 4.090 0.120 11 0 "[ . 1 . 2]" 1
1041 1 113 ALA MB 1 114 PHE HZ 3.650 . 5.500 4.832 3.972 5.510 0.010 11 0 "[ . 1 . 2]" 1
1042 1 114 PHE H 1 114 PHE HB2 2.770 . 3.740 3.023 2.405 3.833 0.093 16 0 "[ . 1 . 2]" 1
1043 1 115 LEU H 1 115 LEU QB 2.555 . 3.310 2.575 2.186 3.384 0.074 10 0 "[ . 1 . 2]" 1
1044 1 115 LEU H 1 115 LEU QD 3.160 . 4.520 3.111 2.020 4.124 . 0 0 "[ . 1 . 2]" 1
1045 1 115 LEU H 1 115 LEU HG 3.650 . 5.500 3.650 2.008 4.857 . 0 0 "[ . 1 . 2]" 1
1046 1 115 LEU H 1 116 GLN H 2.685 . 3.570 2.825 2.032 3.663 0.093 9 0 "[ . 1 . 2]" 1
1047 1 115 LEU HA 1 115 LEU MD1 3.330 . 4.860 3.064 2.051 3.924 . 0 0 "[ . 1 . 2]" 1
1048 1 115 LEU HA 1 115 LEU QD 3.035 . 4.270 2.305 2.023 3.481 . 0 0 "[ . 1 . 2]" 1
1049 1 115 LEU HA 1 115 LEU MD2 3.330 . 4.860 3.005 2.044 4.096 . 0 0 "[ . 1 . 2]" 1
1050 1 115 LEU QB 1 116 GLN H 2.905 . 4.010 3.102 1.917 4.013 0.003 18 0 "[ . 1 . 2]" 1
1051 1 115 LEU HB2 1 116 GLN H 3.220 . 4.640 3.688 2.263 4.455 . 0 0 "[ . 1 . 2]" 1
1052 1 115 LEU HB3 1 116 GLN H 3.220 . 4.640 3.567 1.967 4.626 . 0 0 "[ . 1 . 2]" 1
1053 1 116 GLN H 1 116 GLN HB2 2.985 . 4.170 3.377 2.604 3.794 . 0 0 "[ . 1 . 2]" 1
1054 1 116 GLN H 1 116 GLN QB 2.620 . 3.440 2.682 2.339 3.139 . 0 0 "[ . 1 . 2]" 1
1055 1 116 GLN H 1 116 GLN HB3 2.985 . 4.170 3.009 2.472 3.935 . 0 0 "[ . 1 . 2]" 1
1056 1 116 GLN QB 1 117 ALA H 3.130 . 4.460 3.384 2.226 4.050 . 0 0 "[ . 1 . 2]" 1
1057 1 117 ALA H 1 117 ALA MB 2.775 . 3.750 2.492 2.209 2.966 . 0 0 "[ . 1 . 2]" 1
1058 1 117 ALA MB 1 118 GLU H 2.875 . 3.950 2.940 1.927 3.668 . 0 0 "[ . 1 . 2]" 1
1059 1 119 LYS H 1 120 ASP H 3.215 . 4.630 3.442 1.826 4.453 . 0 0 "[ . 1 . 2]" 1
1060 1 119 LYS QB 1 120 ASP H 2.995 . 4.190 3.345 1.865 4.002 . 0 0 "[ . 1 . 2]" 1
1061 1 120 ASP H 1 120 ASP QB 2.740 . 3.680 2.558 2.215 3.273 . 0 0 "[ . 1 . 2]" 1
1062 1 121 ILE H 1 121 ILE HB 2.915 . 4.030 3.130 2.551 3.994 . 0 0 "[ . 1 . 2]" 1
1063 1 121 ILE H 1 121 ILE MG 3.105 . 4.410 3.234 1.932 4.115 . 0 0 "[ . 1 . 2]" 1
1064 1 121 ILE H 1 122 ALA H 2.835 . 3.870 3.200 1.772 4.083 0.213 9 0 "[ . 1 . 2]" 1
1065 1 121 ILE HA 1 121 ILE MD 3.060 . 4.320 3.153 2.067 4.214 . 0 0 "[ . 1 . 2]" 1
1066 1 121 ILE HA 1 121 ILE MG 2.800 . 3.800 2.652 2.270 3.262 . 0 0 "[ . 1 . 2]" 1
1067 1 121 ILE HB 1 121 ILE MD 2.770 . 3.740 2.639 2.366 3.289 . 0 0 "[ . 1 . 2]" 1
1068 1 122 ALA H 1 122 ALA MB 2.830 . 3.860 2.527 2.234 3.070 . 0 0 "[ . 1 . 2]" 1
1069 1 122 ALA MB 1 123 ASP H 3.080 . 4.360 2.986 1.829 3.701 . 0 0 "[ . 1 . 2]" 1
1070 1 123 ASP QB 1 124 LEU H 3.075 . 4.350 3.340 2.358 3.962 . 0 0 "[ . 1 . 2]" 1
1071 1 124 LEU H 1 124 LEU QB 2.685 . 3.570 2.833 2.385 3.418 . 0 0 "[ . 1 . 2]" 1
1072 1 124 LEU H 1 124 LEU QD 3.250 . 4.700 2.724 1.766 4.127 0.034 2 0 "[ . 1 . 2]" 1
1073 1 124 LEU QB 1 124 LEU QD 2.330 . 2.860 1.993 1.930 2.108 . 0 0 "[ . 1 . 2]" 1
1074 1 125 GLY H 1 126 ALA H 3.215 . 4.630 3.080 1.928 4.552 . 0 0 "[ . 1 . 2]" 1
1075 1 126 ALA H 1 126 ALA MB 2.905 . 4.010 2.490 2.216 3.015 . 0 0 "[ . 1 . 2]" 1
1076 1 126 ALA H 1 127 LEU H 2.780 . 3.760 2.947 2.145 3.817 0.057 14 0 "[ . 1 . 2]" 1
1077 1 126 ALA MB 1 127 LEU H 3.205 . 4.610 3.104 1.832 3.665 . 0 0 "[ . 1 . 2]" 1
1078 1 127 LEU H 1 127 LEU HG 3.340 . 4.880 3.863 2.068 4.967 0.087 11 0 "[ . 1 . 2]" 1
1079 1 127 LEU HA 1 127 LEU MD1 3.515 . 5.230 3.181 2.039 3.936 . 0 0 "[ . 1 . 2]" 1
1080 1 127 LEU HA 1 127 LEU QD 2.855 . 3.910 2.428 2.007 3.445 . 0 0 "[ . 1 . 2]" 1
1081 1 127 LEU HA 1 127 LEU MD2 3.515 . 5.230 2.886 2.030 4.100 . 0 0 "[ . 1 . 2]" 1
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