NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402629 |
1wfm   |
10074 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfm
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 2144
_Distance_constraint_stats_list.Viol_count 3059
_Distance_constraint_stats_list.Viol_total 5788.532
_Distance_constraint_stats_list.Viol_max 1.165
_Distance_constraint_stats_list.Viol_rms 0.0480
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0946
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 1.475 0.211 15 0 "[ . 1 . 2]"
1 13 PRO 1.933 0.211 15 0 "[ . 1 . 2]"
1 14 LYS 6.622 0.667 3 1 "[ + . 1 . 2]"
1 15 LEU 1.831 0.326 8 0 "[ . 1 . 2]"
1 16 HIS 0.022 0.022 16 0 "[ . 1 . 2]"
1 17 TYR 1.970 0.326 8 0 "[ . 1 . 2]"
1 18 CYS 0.203 0.056 20 0 "[ . 1 . 2]"
1 19 LEU 1.292 0.104 17 0 "[ . 1 . 2]"
1 20 ASP 0.271 0.032 19 0 "[ . 1 . 2]"
1 21 TYR 3.386 0.129 19 0 "[ . 1 . 2]"
1 22 ASP 3.878 0.580 18 3 "[ . 1 * +-2]"
1 23 CYS 2.440 0.109 14 0 "[ . 1 . 2]"
1 24 GLN 4.188 0.120 12 0 "[ . 1 . 2]"
1 25 LYS 9.100 0.580 18 3 "[ . 1 * +-2]"
1 26 ALA 2.304 0.084 12 0 "[ . 1 . 2]"
1 27 GLU 10.064 0.768 19 4 "[ *.- 1 . *+2]"
1 28 LEU 3.933 0.390 4 0 "[ . 1 . 2]"
1 29 PHE 3.337 0.206 19 0 "[ . 1 . 2]"
1 30 VAL 4.080 0.317 15 0 "[ . 1 . 2]"
1 31 THR 0.618 0.141 20 0 "[ . 1 . 2]"
1 32 ARG 0.926 0.349 20 0 "[ . 1 . 2]"
1 33 LEU 0.333 0.293 3 0 "[ . 1 . 2]"
1 34 GLU 0.148 0.038 3 0 "[ . 1 . 2]"
1 35 ALA 0.151 0.045 19 0 "[ . 1 . 2]"
1 36 VAL 6.002 0.667 3 1 "[ + . 1 . 2]"
1 37 THR 0.026 0.014 12 0 "[ . 1 . 2]"
1 38 SER 0.514 0.330 10 0 "[ . 1 . 2]"
1 44 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 5.380 0.330 14 0 "[ . 1 . 2]"
1 46 CYS 0.038 0.020 20 0 "[ . 1 . 2]"
1 47 TYR 8.973 0.293 4 0 "[ . 1 . 2]"
1 48 VAL 12.395 0.614 19 5 "[ * .- 1 . **+2]"
1 49 GLN 8.897 0.614 19 5 "[ * .- 1 . **+2]"
1 50 GLY 0.408 0.055 8 0 "[ . 1 . 2]"
1 51 SER 0.417 0.052 4 0 "[ . 1 . 2]"
1 52 VAL 2.793 0.212 12 0 "[ . 1 . 2]"
1 53 ALA 2.223 0.087 5 0 "[ . 1 . 2]"
1 54 ASN 1.966 0.245 11 0 "[ . 1 . 2]"
1 55 ARG 2.872 0.333 8 0 "[ . 1 . 2]"
1 56 THR 0.486 0.152 11 0 "[ . 1 . 2]"
1 57 GLY 2.853 0.172 17 0 "[ . 1 . 2]"
1 58 SER 2.217 0.172 17 0 "[ . 1 . 2]"
1 59 VAL 6.556 0.245 11 0 "[ . 1 . 2]"
1 60 GLU 4.813 0.212 12 0 "[ . 1 . 2]"
1 61 ALA 1.065 0.163 6 0 "[ . 1 . 2]"
1 62 GLN 1.539 0.178 18 0 "[ . 1 . 2]"
1 63 THR 2.016 0.361 19 0 "[ . 1 . 2]"
1 64 ALA 2.841 0.114 1 0 "[ . 1 . 2]"
1 65 LEU 7.697 0.293 4 0 "[ . 1 . 2]"
1 66 LYS 0.840 0.107 12 0 "[ . 1 . 2]"
1 67 LYS 38.610 1.146 15 20 [-*************+*****]
1 68 ARG 24.569 1.146 15 20 [*****-********+*****]
1 69 GLN 0.503 0.039 20 0 "[ . 1 . 2]"
1 70 LEU 0.514 0.330 10 0 "[ . 1 . 2]"
1 71 HIS 2.687 0.305 11 0 "[ . 1 . 2]"
1 72 THR 1.476 0.075 8 0 "[ . 1 . 2]"
1 73 THR 0.033 0.017 3 0 "[ . 1 . 2]"
1 74 TRP 0.499 0.293 3 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 1.354 0.122 19 0 "[ . 1 . 2]"
1 77 GLY 0.281 0.261 15 0 "[ . 1 . 2]"
1 78 LEU 1.422 0.317 15 0 "[ . 1 . 2]"
1 79 VAL 10.645 0.768 19 4 "[ *.- 1 . *+2]"
1 80 LEU 6.918 0.239 5 0 "[ . 1 . 2]"
1 81 PRO 5.605 0.239 5 0 "[ . 1 . 2]"
1 82 LEU 7.869 0.642 6 1 "[ .+ 1 . 2]"
1 83 ALA 2.936 0.182 18 0 "[ . 1 . 2]"
1 84 GLU 4.066 0.105 14 0 "[ . 1 . 2]"
1 85 GLU 1.593 0.079 8 0 "[ . 1 . 2]"
1 86 GLU 17.135 0.443 10 0 "[ . 1 . 2]"
1 87 LEU 21.931 0.443 10 0 "[ . 1 . 2]"
1 88 PRO 11.527 0.267 11 0 "[ . 1 . 2]"
1 89 THR 2.667 0.180 15 0 "[ . 1 . 2]"
1 90 ALA 1.422 0.076 1 0 "[ . 1 . 2]"
1 91 THR 3.670 0.147 7 0 "[ . 1 . 2]"
1 92 LEU 2.058 0.110 17 0 "[ . 1 . 2]"
1 93 THR 1.372 0.205 16 0 "[ . 1 . 2]"
1 94 LEU 1.391 0.156 17 0 "[ . 1 . 2]"
1 95 THR 2.652 0.147 16 0 "[ . 1 . 2]"
1 96 LEU 8.129 0.591 19 9 "[ . -* 1** **** +2]"
1 97 ARG 1.478 0.187 14 0 "[ . 1 . 2]"
1 98 THR 0.297 0.053 20 0 "[ . 1 . 2]"
1 99 CYS 9.488 0.330 14 0 "[ . 1 . 2]"
1 100 ASP 0.312 0.145 5 0 "[ . 1 . 2]"
1 101 ARG 0.232 0.061 12 0 "[ . 1 . 2]"
1 102 PHE 1.060 0.380 12 0 "[ . 1 . 2]"
1 103 SER 0.911 0.132 18 0 "[ . 1 . 2]"
1 104 ARG 2.696 0.380 12 0 "[ . 1 . 2]"
1 105 HIS 0.833 0.304 4 0 "[ . 1 . 2]"
1 106 SER 0.910 0.304 4 0 "[ . 1 . 2]"
1 107 VAL 1.447 0.126 5 0 "[ . 1 . 2]"
1 108 ALA 6.319 0.591 19 9 "[ . -* 1** **** +2]"
1 109 GLY 5.439 0.602 5 1 "[ + 1 . 2]"
1 110 GLU 10.040 0.930 20 8 "[ * .** 1 * *-* +]"
1 111 LEU 2.236 0.334 16 0 "[ . 1 . 2]"
1 112 ARG 8.947 0.725 17 5 "[ - *. * . + *]"
1 113 LEU 4.406 0.725 17 2 "[ . 1 . + -]"
1 114 GLY 2.266 0.148 1 0 "[ . 1 . 2]"
1 115 LEU 0.918 0.102 17 0 "[ . 1 . 2]"
1 116 ASP 0.590 0.092 17 0 "[ . 1 . 2]"
1 117 GLY 0.974 0.098 6 0 "[ . 1 . 2]"
1 118 THR 1.236 0.291 6 0 "[ . 1 . 2]"
1 119 SER 0.088 0.055 17 0 "[ . 1 . 2]"
1 120 VAL 9.185 0.398 2 0 "[ . 1 . 2]"
1 121 PRO 16.586 0.398 2 0 "[ . 1 . 2]"
1 122 LEU 14.503 0.266 6 0 "[ . 1 . 2]"
1 123 GLY 6.097 0.266 6 0 "[ . 1 . 2]"
1 124 ALA 6.632 0.513 11 1 "[ . 1+ . 2]"
1 125 ALA 1.370 0.175 17 0 "[ . 1 . 2]"
1 126 GLN 2.062 0.513 11 1 "[ . 1+ . 2]"
1 127 TRP 1.314 0.245 18 0 "[ . 1 . 2]"
1 128 GLY 19.939 1.165 20 20 [*******-***********+]
1 129 GLU 23.393 1.165 20 20 [******-************+]
1 130 LEU 6.489 0.602 5 1 "[ + 1 . 2]"
1 131 LYS 1.504 0.334 16 0 "[ . 1 . 2]"
1 132 THR 0.817 0.185 18 0 "[ . 1 . 2]"
1 133 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 1.326 0.265 13 0 "[ . 1 . 2]"
1 135 PRO 1.326 0.265 13 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 GLN HA 1 11 GLN QG . . 3.670 2.219 1.973 3.343 . 0 0 "[ . 1 . 2]" 1
2 1 11 GLN HA 1 12 ALA H . . 3.440 2.436 2.206 2.648 . 0 0 "[ . 1 . 2]" 1
3 1 11 GLN HA 1 12 ALA HA . . 4.600 4.430 4.344 4.523 . 0 0 "[ . 1 . 2]" 1
4 1 11 GLN HA 1 12 ALA MB . . 4.100 3.834 3.688 4.022 . 0 0 "[ . 1 . 2]" 1
5 1 11 GLN HB2 1 12 ALA H . . 4.690 4.015 2.818 4.616 . 0 0 "[ . 1 . 2]" 1
6 1 12 ALA H 1 12 ALA MB . . 3.390 2.293 1.994 2.615 . 0 0 "[ . 1 . 2]" 1
7 1 12 ALA HA 1 13 PRO HD2 . . 3.060 2.696 2.518 2.778 . 0 0 "[ . 1 . 2]" 1
8 1 12 ALA HA 1 13 PRO HD3 . . 3.070 1.990 1.926 2.033 . 0 0 "[ . 1 . 2]" 1
9 1 12 ALA HA 1 13 PRO HG2 . . 4.620 4.627 4.502 4.689 0.069 12 0 "[ . 1 . 2]" 1
10 1 12 ALA HA 1 13 PRO HG3 . . 4.380 4.256 4.199 4.292 . 0 0 "[ . 1 . 2]" 1
11 1 12 ALA MB 1 13 PRO HA . . 4.780 4.320 4.298 4.372 . 0 0 "[ . 1 . 2]" 1
12 1 12 ALA MB 1 13 PRO HD2 . . 3.440 2.409 2.255 2.704 . 0 0 "[ . 1 . 2]" 1
13 1 12 ALA MB 1 13 PRO HD3 . . 3.210 3.061 2.923 3.310 0.100 15 0 "[ . 1 . 2]" 1
14 1 12 ALA MB 1 13 PRO HG2 . . 5.060 4.297 4.167 4.557 . 0 0 "[ . 1 . 2]" 1
15 1 12 ALA MB 1 13 PRO HG3 . . 4.740 4.701 4.589 4.951 0.211 15 0 "[ . 1 . 2]" 1
16 1 12 ALA MB 1 14 LYS HA . . 4.900 4.903 4.818 4.983 0.083 20 0 "[ . 1 . 2]" 1
17 1 12 ALA MB 1 129 GLU QB . . 3.650 3.407 2.926 3.686 0.036 19 0 "[ . 1 . 2]" 1
18 1 12 ALA MB 1 129 GLU HG2 . . 3.500 2.398 1.946 3.584 0.084 13 0 "[ . 1 . 2]" 1
19 1 12 ALA MB 1 129 GLU HG3 . . 3.550 3.067 2.122 3.577 0.027 20 0 "[ . 1 . 2]" 1
20 1 12 ALA MB 1 130 LEU H . . 4.690 4.559 4.195 4.763 0.073 11 0 "[ . 1 . 2]" 1
21 1 13 PRO HA 1 14 LYS H . . 3.120 2.167 2.149 2.227 . 0 0 "[ . 1 . 2]" 1
22 1 13 PRO HA 1 36 VAL H . . 4.830 4.751 4.575 4.870 0.040 19 0 "[ . 1 . 2]" 1
23 1 13 PRO HA 1 37 THR MG . . 4.520 3.203 2.300 3.795 . 0 0 "[ . 1 . 2]" 1
24 1 13 PRO HA 1 130 LEU MD1 . . 4.530 3.948 3.591 4.390 . 0 0 "[ . 1 . 2]" 1
25 1 13 PRO HB2 1 14 LYS H . . 4.380 3.633 3.316 3.835 . 0 0 "[ . 1 . 2]" 1
26 1 13 PRO HB2 1 37 THR MG . . 3.890 3.085 2.631 3.779 . 0 0 "[ . 1 . 2]" 1
27 1 13 PRO HB2 1 130 LEU H . . 4.860 3.357 3.200 3.566 . 0 0 "[ . 1 . 2]" 1
28 1 13 PRO HB2 1 130 LEU HB2 . . 4.400 2.068 1.957 2.234 . 0 0 "[ . 1 . 2]" 1
29 1 13 PRO HB2 1 130 LEU HB3 . . 4.680 3.536 3.275 3.736 . 0 0 "[ . 1 . 2]" 1
30 1 13 PRO HB2 1 130 LEU MD1 . . 3.220 2.018 1.846 2.323 . 0 0 "[ . 1 . 2]" 1
31 1 13 PRO HB2 1 132 THR MG . . 4.870 3.561 3.095 4.213 . 0 0 "[ . 1 . 2]" 1
32 1 13 PRO HB3 1 14 LYS H . . 4.280 3.958 3.742 4.105 . 0 0 "[ . 1 . 2]" 1
33 1 13 PRO HB3 1 37 THR HB . . 4.590 3.261 2.247 4.026 . 0 0 "[ . 1 . 2]" 1
34 1 13 PRO HB3 1 37 THR MG . . 3.860 2.660 2.136 3.309 . 0 0 "[ . 1 . 2]" 1
35 1 13 PRO HB3 1 130 LEU MD1 . . 3.730 3.104 2.833 3.517 . 0 0 "[ . 1 . 2]" 1
36 1 13 PRO HD2 1 132 THR MG . . 4.450 3.374 2.920 3.887 . 0 0 "[ . 1 . 2]" 1
37 1 13 PRO HD3 1 130 LEU HB2 . . 5.020 4.798 4.663 4.893 . 0 0 "[ . 1 . 2]" 1
38 1 13 PRO HD3 1 132 THR MG . . 3.880 3.466 2.820 4.020 0.140 9 0 "[ . 1 . 2]" 1
39 1 13 PRO HG2 1 130 LEU H . . 4.940 3.393 3.284 3.492 . 0 0 "[ . 1 . 2]" 1
40 1 13 PRO HG2 1 130 LEU HB2 . . 4.240 2.012 1.943 2.106 . 0 0 "[ . 1 . 2]" 1
41 1 13 PRO HG2 1 130 LEU HB3 . . 4.520 3.227 2.831 3.443 . 0 0 "[ . 1 . 2]" 1
42 1 13 PRO HG2 1 130 LEU MD1 . . 4.080 3.373 3.251 3.507 . 0 0 "[ . 1 . 2]" 1
43 1 13 PRO HG2 1 132 THR MG . . 4.070 2.125 1.787 2.760 . 0 0 "[ . 1 . 2]" 1
44 1 13 PRO HG3 1 130 LEU H . . 4.960 5.000 4.903 5.084 0.124 20 0 "[ . 1 . 2]" 1
45 1 13 PRO HG3 1 130 LEU HB2 . . 4.220 3.445 3.296 3.569 . 0 0 "[ . 1 . 2]" 1
46 1 13 PRO HG3 1 130 LEU HB3 . . 4.620 4.478 4.114 4.638 0.018 1 0 "[ . 1 . 2]" 1
47 1 13 PRO HG3 1 130 LEU MD1 . . 4.070 3.900 3.772 4.119 0.049 16 0 "[ . 1 . 2]" 1
48 1 13 PRO HG3 1 132 THR MG . . 4.060 2.132 1.805 2.846 . 0 0 "[ . 1 . 2]" 1
49 1 14 LYS H 1 14 LYS HB2 . . 4.050 2.383 2.289 3.075 . 0 0 "[ . 1 . 2]" 1
50 1 14 LYS H 1 14 LYS QG . . 4.290 3.609 3.464 3.880 . 0 0 "[ . 1 . 2]" 1
51 1 14 LYS H 1 36 VAL H . . 4.170 2.952 2.773 3.312 . 0 0 "[ . 1 . 2]" 1
52 1 14 LYS H 1 36 VAL HB . . 4.520 3.076 2.811 3.262 . 0 0 "[ . 1 . 2]" 1
53 1 14 LYS H 1 36 VAL MG1 . . 4.470 3.180 2.926 3.454 . 0 0 "[ . 1 . 2]" 1
54 1 14 LYS H 1 36 VAL MG2 . . 4.640 4.565 4.370 4.680 0.040 8 0 "[ . 1 . 2]" 1
55 1 14 LYS H 1 37 THR MG . . 4.640 3.271 2.720 3.970 . 0 0 "[ . 1 . 2]" 1
56 1 14 LYS H 1 130 LEU MD1 . . 4.710 3.830 3.490 4.163 . 0 0 "[ . 1 . 2]" 1
57 1 14 LYS HA 1 14 LYS HD2 . . 4.550 4.034 3.700 4.606 0.056 18 0 "[ . 1 . 2]" 1
58 1 14 LYS HA 1 14 LYS HD3 . . 4.630 4.277 3.700 4.476 . 0 0 "[ . 1 . 2]" 1
59 1 14 LYS HA 1 14 LYS QG . . 3.920 2.023 1.951 2.467 . 0 0 "[ . 1 . 2]" 1
60 1 14 LYS HA 1 15 LEU H . . 3.180 2.298 2.254 2.362 . 0 0 "[ . 1 . 2]" 1
61 1 14 LYS HA 1 15 LEU HB3 . . 4.290 4.187 4.108 4.285 . 0 0 "[ . 1 . 2]" 1
62 1 14 LYS HA 1 129 GLU HA . . 3.560 2.127 1.965 2.380 . 0 0 "[ . 1 . 2]" 1
63 1 14 LYS HA 1 129 GLU QB . . 4.840 4.102 3.572 4.457 . 0 0 "[ . 1 . 2]" 1
64 1 14 LYS HA 1 130 LEU H . . 3.790 2.973 2.771 3.120 . 0 0 "[ . 1 . 2]" 1
65 1 14 LYS HA 1 130 LEU MD1 . . 4.430 4.207 3.829 4.463 0.033 20 0 "[ . 1 . 2]" 1
66 1 14 LYS HA 1 130 LEU HG . . 3.940 3.758 3.520 3.994 0.054 16 0 "[ . 1 . 2]" 1
67 1 14 LYS HB2 1 14 LYS HD2 . . 3.960 3.235 2.974 3.578 . 0 0 "[ . 1 . 2]" 1
68 1 14 LYS HB2 1 14 LYS HD3 . . 4.050 3.886 2.363 4.073 0.023 8 0 "[ . 1 . 2]" 1
69 1 14 LYS HB2 1 14 LYS HE2 . . 4.250 2.518 2.109 3.219 . 0 0 "[ . 1 . 2]" 1
70 1 14 LYS HB2 1 15 LEU H . . 4.280 4.300 3.978 4.384 0.104 3 0 "[ . 1 . 2]" 1
71 1 14 LYS HB2 1 36 VAL MG1 . . 4.280 2.073 1.952 3.385 . 0 0 "[ . 1 . 2]" 1
72 1 14 LYS HB2 1 127 TRP HE3 . . 4.140 4.053 3.801 4.363 0.223 18 0 "[ . 1 . 2]" 1
73 1 14 LYS HB2 1 127 TRP HZ3 . . 4.970 3.871 3.474 5.018 0.048 18 0 "[ . 1 . 2]" 1
74 1 14 LYS HB3 1 14 LYS HD2 . . 4.270 2.319 2.040 3.983 . 0 0 "[ . 1 . 2]" 1
75 1 14 LYS HB3 1 14 LYS HD3 . . 4.030 3.496 3.291 3.640 . 0 0 "[ . 1 . 2]" 1
76 1 14 LYS HB3 1 15 LEU H . . 4.040 3.217 2.925 4.126 0.086 18 0 "[ . 1 . 2]" 1
77 1 14 LYS HB3 1 36 VAL HB . . 4.730 1.981 1.955 2.076 . 0 0 "[ . 1 . 2]" 1
78 1 14 LYS HB3 1 36 VAL MG2 . . 4.630 3.159 2.979 3.496 . 0 0 "[ . 1 . 2]" 1
79 1 14 LYS HB3 1 127 TRP HE3 . . 3.920 2.442 2.149 4.165 0.245 18 0 "[ . 1 . 2]" 1
80 1 14 LYS HB3 1 127 TRP HZ3 . . 4.710 2.543 2.266 3.900 . 0 0 "[ . 1 . 2]" 1
81 1 14 LYS HB3 1 129 GLU HA . . 4.850 4.637 4.431 4.869 0.019 18 0 "[ . 1 . 2]" 1
82 1 14 LYS HD2 1 36 VAL MG2 . . 4.650 3.939 3.515 4.680 0.030 18 0 "[ . 1 . 2]" 1
83 1 14 LYS HD2 1 127 TRP HB3 . . 4.760 2.500 2.004 3.420 . 0 0 "[ . 1 . 2]" 1
84 1 14 LYS HD2 1 127 TRP HE3 . . 4.630 2.068 1.979 2.295 . 0 0 "[ . 1 . 2]" 1
85 1 14 LYS HD3 1 36 VAL MG1 . . 4.760 4.729 4.519 4.803 0.043 11 0 "[ . 1 . 2]" 1
86 1 14 LYS HD3 1 127 TRP HB3 . . 4.930 2.793 2.227 3.645 . 0 0 "[ . 1 . 2]" 1
87 1 14 LYS HD3 1 127 TRP HE3 . . 4.640 3.470 2.990 4.013 . 0 0 "[ . 1 . 2]" 1
88 1 14 LYS HD3 1 129 GLU HA . . 4.730 4.748 4.474 4.820 0.090 20 0 "[ . 1 . 2]" 1
89 1 14 LYS HE2 1 36 VAL MG1 . . 3.850 2.500 1.970 3.251 . 0 0 "[ . 1 . 2]" 1
90 1 14 LYS HE2 1 36 VAL MG2 . . 4.840 3.843 2.960 4.798 . 0 0 "[ . 1 . 2]" 1
91 1 14 LYS HE2 1 127 TRP HE3 . . 4.970 4.393 3.823 4.983 0.013 5 0 "[ . 1 . 2]" 1
92 1 14 LYS HE3 1 14 LYS QG . . 3.910 3.368 2.511 3.556 . 0 0 "[ . 1 . 2]" 1
93 1 14 LYS HE3 1 36 VAL HB . . 4.330 4.194 3.062 4.997 0.667 3 1 "[ + . 1 . 2]" 1
94 1 14 LYS HE3 1 36 VAL MG1 . . 4.160 3.337 2.900 3.831 . 0 0 "[ . 1 . 2]" 1
95 1 14 LYS HE3 1 36 VAL MG2 . . 4.280 3.729 2.660 4.468 0.188 13 0 "[ . 1 . 2]" 1
96 1 14 LYS QG 1 15 LEU H . . 4.930 3.093 1.981 3.346 . 0 0 "[ . 1 . 2]" 1
97 1 14 LYS QG 1 36 VAL HB . . 4.260 3.783 2.506 3.912 . 0 0 "[ . 1 . 2]" 1
98 1 14 LYS QG 1 36 VAL MG1 . . 4.760 3.484 3.219 3.692 . 0 0 "[ . 1 . 2]" 1
99 1 14 LYS QG 1 127 TRP HE3 . . 4.720 3.337 1.734 3.743 . 0 0 "[ . 1 . 2]" 1
100 1 14 LYS QG 1 127 TRP HZ3 . . 5.500 4.474 2.103 4.786 . 0 0 "[ . 1 . 2]" 1
101 1 14 LYS QG 1 129 GLU H . . 5.140 4.232 3.688 5.064 . 0 0 "[ . 1 . 2]" 1
102 1 14 LYS QG 1 129 GLU HA . . 3.860 2.621 2.365 3.694 . 0 0 "[ . 1 . 2]" 1
103 1 15 LEU H 1 15 LEU HB2 . . 4.000 3.477 3.361 3.554 . 0 0 "[ . 1 . 2]" 1
104 1 15 LEU H 1 15 LEU HB3 . . 3.960 2.685 2.624 2.941 . 0 0 "[ . 1 . 2]" 1
105 1 15 LEU H 1 15 LEU QD . . 4.120 3.861 3.486 3.928 . 0 0 "[ . 1 . 2]" 1
106 1 15 LEU H 1 111 LEU QD . . 4.460 3.139 2.841 3.573 . 0 0 "[ . 1 . 2]" 1
107 1 15 LEU H 1 127 TRP HE3 . . 4.830 3.297 2.849 3.589 . 0 0 "[ . 1 . 2]" 1
108 1 15 LEU H 1 128 GLY H . . 4.090 3.394 2.587 4.158 0.068 20 0 "[ . 1 . 2]" 1
109 1 15 LEU H 1 129 GLU HA . . 4.420 3.211 2.884 3.468 . 0 0 "[ . 1 . 2]" 1
110 1 15 LEU H 1 130 LEU H . . 4.820 4.073 3.773 4.267 . 0 0 "[ . 1 . 2]" 1
111 1 15 LEU H 1 130 LEU MD1 . . 4.660 4.448 4.029 4.672 0.012 19 0 "[ . 1 . 2]" 1
112 1 15 LEU H 1 130 LEU MD2 . . 4.910 4.478 4.146 4.835 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU H 1 130 LEU HG . . 4.780 3.701 3.405 3.894 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU HA 1 15 LEU QD . . 3.160 2.063 1.957 2.253 . 0 0 "[ . 1 . 2]" 1
115 1 15 LEU HA 1 16 HIS H . . 3.280 2.188 2.176 2.233 . 0 0 "[ . 1 . 2]" 1
116 1 15 LEU HA 1 35 ALA HA . . 3.510 2.115 1.982 2.328 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU HA 1 35 ALA MB . . 3.940 3.528 3.283 3.825 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU HA 1 36 VAL H . . 4.770 3.238 3.014 3.437 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU HA 1 111 LEU QD . . 4.940 4.471 4.279 4.733 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU HA 1 127 TRP HZ3 . . 4.400 3.507 3.167 4.090 . 0 0 "[ . 1 . 2]" 1
121 1 15 LEU HA 1 130 LEU MD2 . . 4.680 4.578 4.180 4.727 0.047 17 0 "[ . 1 . 2]" 1
122 1 15 LEU HB2 1 15 LEU QD . . 3.130 2.188 2.086 2.369 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU HB2 1 16 HIS H . . 4.990 4.229 4.001 4.352 . 0 0 "[ . 1 . 2]" 1
124 1 15 LEU HB2 1 35 ALA HA . . 4.930 3.467 3.074 3.775 . 0 0 "[ . 1 . 2]" 1
125 1 15 LEU HB2 1 130 LEU MD1 . . 3.300 2.550 1.997 2.850 . 0 0 "[ . 1 . 2]" 1
126 1 15 LEU HB2 1 130 LEU MD2 . . 3.180 2.680 2.234 2.901 . 0 0 "[ . 1 . 2]" 1
127 1 15 LEU HB2 1 130 LEU HG . . 4.250 2.664 1.990 3.018 . 0 0 "[ . 1 . 2]" 1
128 1 15 LEU HB3 1 17 TYR QD . . 4.900 3.874 3.381 4.143 . 0 0 "[ . 1 . 2]" 1
129 1 15 LEU HB3 1 35 ALA HA . . 4.880 4.773 4.503 4.899 0.019 14 0 "[ . 1 . 2]" 1
130 1 15 LEU HB3 1 111 LEU QD . . 3.700 2.147 1.958 2.420 . 0 0 "[ . 1 . 2]" 1
131 1 15 LEU HB3 1 130 LEU MD2 . . 3.190 2.388 1.977 2.687 . 0 0 "[ . 1 . 2]" 1
132 1 15 LEU HB3 1 130 LEU HG . . 4.320 2.428 1.977 2.825 . 0 0 "[ . 1 . 2]" 1
133 1 15 LEU QD 1 16 HIS H . . 3.680 2.201 1.912 2.440 . 0 0 "[ . 1 . 2]" 1
134 1 15 LEU QD 1 16 HIS HB2 . . 4.950 4.306 4.038 4.511 . 0 0 "[ . 1 . 2]" 1
135 1 15 LEU QD 1 17 TYR HA . . 4.560 4.051 3.486 4.403 . 0 0 "[ . 1 . 2]" 1
136 1 15 LEU QD 1 17 TYR HB3 . . 4.600 2.957 2.263 3.276 . 0 0 "[ . 1 . 2]" 1
137 1 15 LEU QD 1 17 TYR QD . . 4.200 2.822 1.720 3.366 . 0 0 "[ . 1 . 2]" 1
138 1 15 LEU QD 1 17 TYR QE . . 5.100 3.995 3.073 4.632 . 0 0 "[ . 1 . 2]" 1
139 1 15 LEU QD 1 33 LEU HA . . 4.440 3.269 3.091 3.613 . 0 0 "[ . 1 . 2]" 1
140 1 15 LEU QD 1 34 GLU H . . 4.000 2.826 2.516 3.129 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU QD 1 35 ALA HA . . 3.590 2.827 2.137 3.103 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU QD 1 35 ALA MB . . 3.000 2.845 2.348 2.957 . 0 0 "[ . 1 . 2]" 1
143 1 15 LEU QD 1 36 VAL H . . 4.760 4.413 3.942 4.600 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU QD 1 48 VAL QG . . 3.070 1.928 1.628 2.125 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU QD 1 74 TRP HH2 . . 4.640 4.387 3.936 4.520 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU QD 1 74 TRP HZ3 . . 4.300 3.765 3.246 4.070 . 0 0 "[ . 1 . 2]" 1
147 1 15 LEU QD 1 94 LEU HB2 . . 3.750 2.990 2.418 3.632 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU QD 1 94 LEU HB3 . . 3.720 2.235 1.921 3.294 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU QD 1 94 LEU QD . . 2.860 2.191 1.755 2.705 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU QD 1 130 LEU HG . . 3.760 3.332 3.015 3.624 . 0 0 "[ . 1 . 2]" 1
151 1 15 LEU HG 1 16 HIS H . . 4.420 4.006 3.443 4.442 0.022 16 0 "[ . 1 . 2]" 1
152 1 15 LEU HG 1 17 TYR HB3 . . 5.020 3.526 3.095 4.873 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU HG 1 17 TYR QD . . 3.650 2.256 1.957 3.976 0.326 8 0 "[ . 1 . 2]" 1
154 1 15 LEU HG 1 94 LEU QD . . 4.260 2.812 2.264 3.325 . 0 0 "[ . 1 . 2]" 1
155 1 16 HIS H 1 33 LEU HA . . 4.670 4.250 3.943 4.535 . 0 0 "[ . 1 . 2]" 1
156 1 16 HIS H 1 34 GLU H . . 4.450 2.521 2.254 2.764 . 0 0 "[ . 1 . 2]" 1
157 1 16 HIS H 1 34 GLU HB2 . . 4.280 3.534 3.137 4.227 . 0 0 "[ . 1 . 2]" 1
158 1 16 HIS H 1 35 ALA HA . . 4.410 3.156 2.652 3.587 . 0 0 "[ . 1 . 2]" 1
159 1 16 HIS H 1 35 ALA MB . . 4.900 4.415 4.016 4.740 . 0 0 "[ . 1 . 2]" 1
160 1 16 HIS H 1 127 TRP HZ3 . . 4.760 3.309 2.851 4.622 . 0 0 "[ . 1 . 2]" 1
161 1 16 HIS HA 1 127 TRP HA . . 3.520 2.531 1.999 2.865 . 0 0 "[ . 1 . 2]" 1
162 1 16 HIS HB2 1 17 TYR H . . 4.910 4.263 4.112 4.452 . 0 0 "[ . 1 . 2]" 1
163 1 16 HIS HB2 1 34 GLU H . . 4.340 3.553 3.139 4.290 . 0 0 "[ . 1 . 2]" 1
164 1 16 HIS HB2 1 34 GLU HB2 . . 4.010 2.494 1.992 3.316 . 0 0 "[ . 1 . 2]" 1
165 1 16 HIS HB3 1 17 TYR H . . 5.040 3.955 3.827 4.145 . 0 0 "[ . 1 . 2]" 1
166 1 16 HIS HB3 1 34 GLU HB2 . . 4.880 2.034 1.978 2.170 . 0 0 "[ . 1 . 2]" 1
167 1 16 HIS HD2 1 126 GLN H . . 4.800 4.061 3.631 4.682 . 0 0 "[ . 1 . 2]" 1
168 1 16 HIS HD2 1 127 TRP HD1 . . 5.070 3.068 2.207 3.376 . 0 0 "[ . 1 . 2]" 1
169 1 16 HIS HD2 1 127 TRP HE1 . . 4.220 3.749 3.170 4.069 . 0 0 "[ . 1 . 2]" 1
170 1 16 HIS HE1 1 32 ARG HB2 . . 4.460 3.572 2.251 4.447 . 0 0 "[ . 1 . 2]" 1
171 1 16 HIS HE1 1 32 ARG HB3 . . 4.560 2.475 2.029 3.186 . 0 0 "[ . 1 . 2]" 1
172 1 17 TYR H 1 17 TYR QD . . 3.780 3.150 3.021 3.259 . 0 0 "[ . 1 . 2]" 1
173 1 17 TYR H 1 17 TYR QE . . 4.870 4.328 4.189 4.411 . 0 0 "[ . 1 . 2]" 1
174 1 17 TYR H 1 18 CYS H . . 4.950 4.256 4.193 4.377 . 0 0 "[ . 1 . 2]" 1
175 1 17 TYR H 1 125 ALA HA . . 4.770 4.518 4.249 4.812 0.042 18 0 "[ . 1 . 2]" 1
176 1 17 TYR H 1 125 ALA MB . . 4.880 4.315 3.588 4.903 0.023 8 0 "[ . 1 . 2]" 1
177 1 17 TYR H 1 126 GLN H . . 3.680 3.316 2.984 3.687 0.007 1 0 "[ . 1 . 2]" 1
178 1 17 TYR H 1 126 GLN QG . . 5.500 4.885 3.969 5.530 0.030 11 0 "[ . 1 . 2]" 1
179 1 17 TYR H 1 127 TRP HA . . 4.060 3.838 3.450 4.122 0.062 20 0 "[ . 1 . 2]" 1
180 1 17 TYR HA 1 18 CYS H . . 3.260 2.259 2.222 2.354 . 0 0 "[ . 1 . 2]" 1
181 1 17 TYR HA 1 30 VAL QG . . 4.530 2.996 2.727 3.289 . 0 0 "[ . 1 . 2]" 1
182 1 17 TYR HA 1 33 LEU HA . . 4.750 3.210 2.953 3.435 . 0 0 "[ . 1 . 2]" 1
183 1 17 TYR HA 1 33 LEU QD . . 3.790 2.656 2.077 3.093 . 0 0 "[ . 1 . 2]" 1
184 1 17 TYR HB2 1 18 CYS H . . 3.870 3.152 2.840 3.302 . 0 0 "[ . 1 . 2]" 1
185 1 17 TYR HB2 1 19 LEU QD . . 4.460 2.427 2.298 2.601 . 0 0 "[ . 1 . 2]" 1
186 1 17 TYR HB2 1 30 VAL QG . . 3.710 2.022 1.777 2.357 . 0 0 "[ . 1 . 2]" 1
187 1 17 TYR HB2 1 33 LEU QD . . 3.630 3.435 3.021 3.596 . 0 0 "[ . 1 . 2]" 1
188 1 17 TYR HB2 1 94 LEU QD . . 4.490 2.591 2.356 2.803 . 0 0 "[ . 1 . 2]" 1
189 1 17 TYR HB3 1 18 CYS H . . 4.690 4.090 3.871 4.188 . 0 0 "[ . 1 . 2]" 1
190 1 17 TYR HB3 1 30 VAL QG . . 4.020 2.731 2.415 2.997 . 0 0 "[ . 1 . 2]" 1
191 1 17 TYR HB3 1 33 LEU QD . . 3.500 2.674 2.458 2.875 . 0 0 "[ . 1 . 2]" 1
192 1 17 TYR HB3 1 94 LEU QD . . 4.200 2.250 1.814 2.683 . 0 0 "[ . 1 . 2]" 1
193 1 17 TYR QD 1 18 CYS H . . 4.440 4.156 3.694 4.392 . 0 0 "[ . 1 . 2]" 1
194 1 17 TYR QD 1 18 CYS HA . . 4.340 3.748 3.133 4.068 . 0 0 "[ . 1 . 2]" 1
195 1 17 TYR QD 1 19 LEU H . . 5.020 3.421 2.957 3.851 . 0 0 "[ . 1 . 2]" 1
196 1 17 TYR QD 1 19 LEU QD . . 3.440 1.911 1.692 2.603 . 0 0 "[ . 1 . 2]" 1
197 1 17 TYR QD 1 19 LEU HG . . 3.580 3.328 2.420 3.677 0.097 20 0 "[ . 1 . 2]" 1
198 1 17 TYR QD 1 30 VAL QG . . 4.220 3.464 3.231 3.800 . 0 0 "[ . 1 . 2]" 1
199 1 17 TYR QD 1 33 LEU QD . . 4.360 3.990 3.628 4.257 . 0 0 "[ . 1 . 2]" 1
200 1 17 TYR QD 1 94 LEU QD . . 4.040 2.582 2.062 3.011 . 0 0 "[ . 1 . 2]" 1
201 1 17 TYR QD 1 111 LEU QD . . 4.190 3.419 2.760 3.856 . 0 0 "[ . 1 . 2]" 1
202 1 17 TYR QD 1 113 LEU QD . . 4.200 2.607 2.167 3.261 . 0 0 "[ . 1 . 2]" 1
203 1 17 TYR QD 1 120 VAL QG . . 4.530 3.677 3.056 3.989 . 0 0 "[ . 1 . 2]" 1
204 1 17 TYR QD 1 126 GLN QG . . 4.670 4.091 3.059 4.692 0.022 7 0 "[ . 1 . 2]" 1
205 1 17 TYR QD 1 127 TRP HA . . 5.020 4.823 4.431 5.053 0.033 13 0 "[ . 1 . 2]" 1
206 1 17 TYR QE 1 19 LEU QD . . 3.770 2.398 1.932 3.480 . 0 0 "[ . 1 . 2]" 1
207 1 17 TYR QE 1 94 LEU QD . . 4.840 3.528 3.182 3.897 . 0 0 "[ . 1 . 2]" 1
208 1 17 TYR QE 1 111 LEU QD . . 3.330 2.236 1.812 2.576 . 0 0 "[ . 1 . 2]" 1
209 1 17 TYR QE 1 111 LEU HG . . 4.750 3.368 1.982 4.766 0.016 4 0 "[ . 1 . 2]" 1
210 1 17 TYR QE 1 113 LEU QD . . 3.770 1.986 1.772 2.420 . 0 0 "[ . 1 . 2]" 1
211 1 17 TYR QE 1 120 VAL QG . . 3.340 2.168 1.939 2.437 . 0 0 "[ . 1 . 2]" 1
212 1 17 TYR QE 1 126 GLN HB2 . . 4.830 3.721 2.536 4.851 0.021 8 0 "[ . 1 . 2]" 1
213 1 17 TYR QE 1 126 GLN QG . . 3.910 3.124 1.984 3.910 . 0 0 "[ . 1 . 2]" 1
214 1 17 TYR QE 1 127 TRP HA . . 4.850 4.464 3.968 4.922 0.072 16 0 "[ . 1 . 2]" 1
215 1 17 TYR QE 1 128 GLY H . . 4.440 2.792 2.120 4.054 . 0 0 "[ . 1 . 2]" 1
216 1 17 TYR QE 1 128 GLY HA3 . . 4.100 2.143 1.984 2.445 . 0 0 "[ . 1 . 2]" 1
217 1 18 CYS H 1 18 CYS HB3 . . 3.960 2.529 2.423 2.775 . 0 0 "[ . 1 . 2]" 1
218 1 18 CYS H 1 19 LEU H . . 5.030 4.140 3.944 4.280 . 0 0 "[ . 1 . 2]" 1
219 1 18 CYS H 1 19 LEU QD . . 4.830 3.344 3.162 3.446 . 0 0 "[ . 1 . 2]" 1
220 1 18 CYS H 1 30 VAL HA . . 4.540 3.385 3.071 3.658 . 0 0 "[ . 1 . 2]" 1
221 1 18 CYS H 1 30 VAL QG . . 3.960 2.867 2.486 3.274 . 0 0 "[ . 1 . 2]" 1
222 1 18 CYS H 1 31 THR H . . 3.780 3.173 2.700 3.451 . 0 0 "[ . 1 . 2]" 1
223 1 18 CYS H 1 32 ARG QG . . 5.050 4.042 3.764 4.827 . 0 0 "[ . 1 . 2]" 1
224 1 18 CYS H 1 33 LEU QD . . 4.660 3.790 3.324 4.316 . 0 0 "[ . 1 . 2]" 1
225 1 18 CYS H 1 125 ALA MB . . 5.050 4.525 4.089 5.055 0.005 6 0 "[ . 1 . 2]" 1
226 1 18 CYS HA 1 19 LEU H . . 3.290 2.239 2.221 2.276 . 0 0 "[ . 1 . 2]" 1
227 1 18 CYS HA 1 19 LEU HA . . 4.930 4.432 4.408 4.466 . 0 0 "[ . 1 . 2]" 1
228 1 18 CYS HA 1 19 LEU QD . . 4.560 3.059 2.661 3.758 . 0 0 "[ . 1 . 2]" 1
229 1 18 CYS HA 1 125 ALA HA . . 3.870 2.225 1.981 2.600 . 0 0 "[ . 1 . 2]" 1
230 1 18 CYS HA 1 125 ALA MB . . 4.190 3.304 2.884 3.815 . 0 0 "[ . 1 . 2]" 1
231 1 18 CYS HA 1 126 GLN H . . 4.330 3.488 3.275 3.776 . 0 0 "[ . 1 . 2]" 1
232 1 18 CYS HB2 1 32 ARG QD . . 5.000 3.988 1.781 4.383 . 0 0 "[ . 1 . 2]" 1
233 1 18 CYS HB2 1 32 ARG QG . . 4.570 2.105 1.930 3.580 . 0 0 "[ . 1 . 2]" 1
234 1 18 CYS HB2 1 125 ALA HA . . 4.270 2.930 2.551 3.172 . 0 0 "[ . 1 . 2]" 1
235 1 18 CYS HB2 1 125 ALA MB . . 3.760 2.325 1.967 2.910 . 0 0 "[ . 1 . 2]" 1
236 1 18 CYS HB2 1 126 GLN H . . 4.860 4.638 4.259 4.916 0.056 20 0 "[ . 1 . 2]" 1
237 1 18 CYS HB3 1 31 THR H . . 4.900 3.048 2.568 3.647 . 0 0 "[ . 1 . 2]" 1
238 1 18 CYS HB3 1 32 ARG HB2 . . 5.050 2.623 2.076 3.169 . 0 0 "[ . 1 . 2]" 1
239 1 18 CYS HB3 1 32 ARG QG . . 4.370 2.460 2.049 3.804 . 0 0 "[ . 1 . 2]" 1
240 1 18 CYS HB3 1 125 ALA HA . . 4.480 4.398 4.111 4.508 0.028 17 0 "[ . 1 . 2]" 1
241 1 18 CYS HB3 1 125 ALA MB . . 4.200 3.780 3.445 4.209 0.009 9 0 "[ . 1 . 2]" 1
242 1 19 LEU H 1 19 LEU HB2 . . 4.040 2.567 2.444 2.653 . 0 0 "[ . 1 . 2]" 1
243 1 19 LEU H 1 19 LEU QD . . 4.100 2.029 1.788 2.614 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU H 1 19 LEU HG . . 3.930 3.402 2.064 3.939 0.009 20 0 "[ . 1 . 2]" 1
245 1 19 LEU H 1 20 ASP H . . 4.810 4.563 4.466 4.627 . 0 0 "[ . 1 . 2]" 1
246 1 19 LEU H 1 122 LEU MD2 . . 4.480 4.441 4.324 4.520 0.040 14 0 "[ . 1 . 2]" 1
247 1 19 LEU H 1 123 GLY H . . 4.720 4.380 4.207 4.572 . 0 0 "[ . 1 . 2]" 1
248 1 19 LEU H 1 124 ALA H . . 4.750 3.943 3.765 4.126 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU H 1 125 ALA HA . . 4.820 3.875 3.459 4.437 . 0 0 "[ . 1 . 2]" 1
250 1 19 LEU HA 1 19 LEU QD . . 3.070 2.014 1.906 2.158 . 0 0 "[ . 1 . 2]" 1
251 1 19 LEU HA 1 20 ASP H . . 2.990 2.216 2.178 2.265 . 0 0 "[ . 1 . 2]" 1
252 1 19 LEU HA 1 20 ASP HA . . 4.910 4.372 4.336 4.407 . 0 0 "[ . 1 . 2]" 1
253 1 19 LEU HA 1 20 ASP QB . . 4.670 4.033 3.942 4.323 . 0 0 "[ . 1 . 2]" 1
254 1 19 LEU HA 1 28 LEU QD . . 4.040 3.126 2.742 3.638 . 0 0 "[ . 1 . 2]" 1
255 1 19 LEU HA 1 29 PHE H . . 4.960 4.103 3.905 4.291 . 0 0 "[ . 1 . 2]" 1
256 1 19 LEU HA 1 30 VAL HA . . 3.820 2.870 2.505 3.113 . 0 0 "[ . 1 . 2]" 1
257 1 19 LEU HA 1 30 VAL QG . . 4.070 3.155 2.833 3.404 . 0 0 "[ . 1 . 2]" 1
258 1 19 LEU HA 1 31 THR H . . 4.640 4.231 3.957 4.451 . 0 0 "[ . 1 . 2]" 1
259 1 19 LEU HA 1 122 LEU MD2 . . 4.410 3.772 3.633 3.892 . 0 0 "[ . 1 . 2]" 1
260 1 19 LEU HB2 1 20 ASP H . . 4.760 4.098 3.953 4.277 . 0 0 "[ . 1 . 2]" 1
261 1 19 LEU HB2 1 28 LEU QD . . 4.210 3.951 3.732 4.113 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU HB2 1 115 LEU QD . . 4.880 4.731 4.244 4.841 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU HB2 1 120 VAL QG . . 4.920 3.590 2.686 3.935 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU HB2 1 122 LEU HA . . 4.130 2.843 2.644 3.121 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU HB2 1 122 LEU MD2 . . 3.250 2.484 2.165 2.719 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HB2 1 122 LEU HG . . 4.710 4.394 4.073 4.611 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU HB2 1 123 GLY H . . 5.030 4.086 3.891 4.259 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU HB3 1 19 LEU QD . . 3.240 2.361 1.987 2.536 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU HB3 1 20 ASP H . . 4.600 3.251 3.023 3.519 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU HB3 1 20 ASP HA . . 4.840 4.532 4.357 4.703 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU HB3 1 28 LEU QD . . 3.950 2.667 2.516 2.788 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU HB3 1 120 VAL QG . . 4.370 4.144 3.561 4.337 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU HB3 1 122 LEU HA . . 4.700 3.960 3.626 4.231 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU HB3 1 122 LEU MD2 . . 3.200 2.422 2.035 2.640 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU HB3 1 122 LEU HG . . 4.980 4.758 4.363 5.008 0.028 20 0 "[ . 1 . 2]" 1
276 1 19 LEU QD 1 20 ASP H . . 3.950 3.673 3.447 3.805 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU QD 1 29 PHE H . . 4.750 4.644 4.451 4.759 0.009 10 0 "[ . 1 . 2]" 1
278 1 19 LEU QD 1 30 VAL HA . . 3.690 2.655 2.472 2.992 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU QD 1 30 VAL QG . . 2.990 1.896 1.675 2.202 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU QD 1 31 THR H . . 4.400 4.255 4.175 4.351 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU QD 1 113 LEU HB3 . . 4.000 2.852 1.811 3.439 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU QD 1 113 LEU QD . . 3.260 1.866 1.711 2.196 . 0 0 "[ . 1 . 2]" 1
283 1 19 LEU QD 1 120 VAL QG . . 3.050 1.995 1.625 2.327 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU QD 1 122 LEU HA . . 4.450 4.061 3.781 4.280 . 0 0 "[ . 1 . 2]" 1
285 1 19 LEU HG 1 30 VAL QG . . 4.700 3.918 3.482 4.217 . 0 0 "[ . 1 . 2]" 1
286 1 19 LEU HG 1 122 LEU MD2 . . 4.190 4.131 3.846 4.294 0.104 17 0 "[ . 1 . 2]" 1
287 1 20 ASP H 1 20 ASP QB . . 3.520 2.715 2.602 2.792 . 0 0 "[ . 1 . 2]" 1
288 1 20 ASP H 1 28 LEU QD . . 3.710 2.542 2.272 2.738 . 0 0 "[ . 1 . 2]" 1
289 1 20 ASP H 1 29 PHE H . . 4.060 2.618 2.473 2.754 . 0 0 "[ . 1 . 2]" 1
290 1 20 ASP H 1 29 PHE HB2 . . 4.730 3.014 2.863 3.202 . 0 0 "[ . 1 . 2]" 1
291 1 20 ASP H 1 122 LEU MD2 . . 4.290 3.107 2.874 3.399 . 0 0 "[ . 1 . 2]" 1
292 1 20 ASP HA 1 21 TYR H . . 2.900 2.255 2.252 2.265 . 0 0 "[ . 1 . 2]" 1
293 1 20 ASP HA 1 21 TYR HB2 . . 4.900 4.429 4.334 4.503 . 0 0 "[ . 1 . 2]" 1
294 1 20 ASP HA 1 21 TYR HB3 . . 4.880 4.573 4.509 4.623 . 0 0 "[ . 1 . 2]" 1
295 1 20 ASP HA 1 122 LEU HA . . 4.600 3.521 3.335 3.705 . 0 0 "[ . 1 . 2]" 1
296 1 20 ASP HA 1 122 LEU HB2 . . 4.350 4.347 4.233 4.382 0.032 19 0 "[ . 1 . 2]" 1
297 1 20 ASP HA 1 122 LEU HB3 . . 3.910 2.607 2.483 2.648 . 0 0 "[ . 1 . 2]" 1
298 1 20 ASP HA 1 122 LEU MD1 . . 4.000 3.880 3.752 4.023 0.023 15 0 "[ . 1 . 2]" 1
299 1 20 ASP HA 1 122 LEU MD2 . . 3.350 2.103 1.970 2.312 . 0 0 "[ . 1 . 2]" 1
300 1 20 ASP HA 1 122 LEU HG . . 4.960 4.794 4.652 4.927 . 0 0 "[ . 1 . 2]" 1
301 1 20 ASP HA 1 123 GLY H . . 4.270 2.395 2.266 2.579 . 0 0 "[ . 1 . 2]" 1
302 1 20 ASP QB 1 21 TYR H . . 4.380 3.836 3.461 3.967 . 0 0 "[ . 1 . 2]" 1
303 1 20 ASP QB 1 28 LEU QD . . 4.740 4.119 3.846 4.329 . 0 0 "[ . 1 . 2]" 1
304 1 20 ASP QB 1 29 PHE H . . 4.370 3.984 3.640 4.193 . 0 0 "[ . 1 . 2]" 1
305 1 20 ASP QB 1 29 PHE HB2 . . 3.390 2.377 2.146 2.695 . 0 0 "[ . 1 . 2]" 1
306 1 20 ASP QB 1 29 PHE HB3 . . 3.750 3.401 3.174 3.712 . 0 0 "[ . 1 . 2]" 1
307 1 20 ASP QB 1 29 PHE QD . . 4.040 3.842 3.538 3.989 . 0 0 "[ . 1 . 2]" 1
308 1 20 ASP QB 1 122 LEU MD2 . . 4.630 3.902 3.792 4.090 . 0 0 "[ . 1 . 2]" 1
309 1 21 TYR H 1 21 TYR HB2 . . 4.030 2.575 2.517 2.659 . 0 0 "[ . 1 . 2]" 1
310 1 21 TYR H 1 21 TYR HB3 . . 3.890 2.352 2.273 2.398 . 0 0 "[ . 1 . 2]" 1
311 1 21 TYR H 1 21 TYR QD . . 4.780 4.139 4.095 4.168 . 0 0 "[ . 1 . 2]" 1
312 1 21 TYR H 1 28 LEU QD . . 4.550 3.310 3.096 3.456 . 0 0 "[ . 1 . 2]" 1
313 1 21 TYR H 1 122 LEU HB3 . . 5.050 2.955 2.618 3.100 . 0 0 "[ . 1 . 2]" 1
314 1 21 TYR H 1 122 LEU MD1 . . 3.740 2.733 2.544 2.925 . 0 0 "[ . 1 . 2]" 1
315 1 21 TYR H 1 122 LEU MD2 . . 3.610 2.262 1.959 2.542 . 0 0 "[ . 1 . 2]" 1
316 1 21 TYR HA 1 21 TYR QD . . 3.480 2.799 2.659 2.915 . 0 0 "[ . 1 . 2]" 1
317 1 21 TYR HA 1 21 TYR QE . . 4.690 4.700 4.658 4.764 0.074 20 0 "[ . 1 . 2]" 1
318 1 21 TYR HA 1 22 ASP H . . 3.090 2.198 2.187 2.275 . 0 0 "[ . 1 . 2]" 1
319 1 21 TYR HA 1 27 GLU H . . 5.020 4.624 4.448 4.901 . 0 0 "[ . 1 . 2]" 1
320 1 21 TYR HA 1 28 LEU HA . . 3.590 2.298 2.089 2.513 . 0 0 "[ . 1 . 2]" 1
321 1 21 TYR HA 1 28 LEU QD . . 3.860 2.564 2.293 2.705 . 0 0 "[ . 1 . 2]" 1
322 1 21 TYR HA 1 29 PHE H . . 3.980 3.395 3.118 3.615 . 0 0 "[ . 1 . 2]" 1
323 1 21 TYR HA 1 122 LEU MD1 . . 4.860 4.499 4.098 4.724 . 0 0 "[ . 1 . 2]" 1
324 1 21 TYR HA 1 122 LEU MD2 . . 4.870 4.000 3.775 4.112 . 0 0 "[ . 1 . 2]" 1
325 1 21 TYR HB2 1 22 ASP H . . 4.910 4.490 4.221 4.583 . 0 0 "[ . 1 . 2]" 1
326 1 21 TYR HB2 1 28 LEU QD . . 3.460 2.136 1.923 2.338 . 0 0 "[ . 1 . 2]" 1
327 1 21 TYR HB2 1 87 LEU MD1 . . 4.450 4.138 3.917 4.377 . 0 0 "[ . 1 . 2]" 1
328 1 21 TYR HB2 1 87 LEU MD2 . . 4.430 3.109 2.800 3.313 . 0 0 "[ . 1 . 2]" 1
329 1 21 TYR HB2 1 122 LEU MD1 . . 3.750 2.559 1.967 2.917 . 0 0 "[ . 1 . 2]" 1
330 1 21 TYR HB2 1 122 LEU MD2 . . 3.630 2.453 2.221 2.692 . 0 0 "[ . 1 . 2]" 1
331 1 21 TYR HB3 1 87 LEU MD1 . . 4.620 3.748 3.543 3.907 . 0 0 "[ . 1 . 2]" 1
332 1 21 TYR HB3 1 87 LEU MD2 . . 4.410 3.623 3.253 3.853 . 0 0 "[ . 1 . 2]" 1
333 1 21 TYR HB3 1 122 LEU MD1 . . 3.610 2.301 1.894 2.674 . 0 0 "[ . 1 . 2]" 1
334 1 21 TYR HB3 1 122 LEU MD2 . . 3.710 3.184 2.968 3.489 . 0 0 "[ . 1 . 2]" 1
335 1 21 TYR QD 1 21 TYR HH . . 4.740 4.370 4.310 4.387 . 0 0 "[ . 1 . 2]" 1
336 1 21 TYR QD 1 22 ASP H . . 4.410 3.904 3.437 4.084 . 0 0 "[ . 1 . 2]" 1
337 1 21 TYR QD 1 23 CYS HA . . 3.830 3.422 3.254 3.570 . 0 0 "[ . 1 . 2]" 1
338 1 21 TYR QD 1 23 CYS HB2 . . 4.280 4.217 3.251 4.371 0.091 14 0 "[ . 1 . 2]" 1
339 1 21 TYR QD 1 23 CYS HB3 . . 4.190 3.279 3.047 4.251 0.061 10 0 "[ . 1 . 2]" 1
340 1 21 TYR QD 1 28 LEU H . . 4.900 3.628 3.287 3.820 . 0 0 "[ . 1 . 2]" 1
341 1 21 TYR QD 1 28 LEU HA . . 3.500 2.468 2.280 2.632 . 0 0 "[ . 1 . 2]" 1
342 1 21 TYR QD 1 28 LEU HB2 . . 4.080 2.431 2.076 2.750 . 0 0 "[ . 1 . 2]" 1
343 1 21 TYR QD 1 28 LEU HB3 . . 4.440 4.021 3.712 4.260 . 0 0 "[ . 1 . 2]" 1
344 1 21 TYR QD 1 28 LEU QD . . 3.180 2.049 1.943 2.213 . 0 0 "[ . 1 . 2]" 1
345 1 21 TYR QD 1 28 LEU HG . . 4.430 4.067 3.698 4.464 0.034 7 0 "[ . 1 . 2]" 1
346 1 21 TYR QD 1 29 PHE H . . 4.630 4.476 4.282 4.585 . 0 0 "[ . 1 . 2]" 1
347 1 21 TYR QD 1 82 LEU HB3 . . 4.780 3.690 3.533 4.039 . 0 0 "[ . 1 . 2]" 1
348 1 21 TYR QD 1 82 LEU QD . . 3.990 3.118 2.680 3.519 . 0 0 "[ . 1 . 2]" 1
349 1 21 TYR QD 1 84 GLU HG2 . . 4.980 4.944 4.803 5.007 0.027 16 0 "[ . 1 . 2]" 1
350 1 21 TYR QD 1 87 LEU MD1 . . 3.710 2.839 2.641 3.072 . 0 0 "[ . 1 . 2]" 1
351 1 21 TYR QD 1 87 LEU MD2 . . 3.690 2.702 2.434 3.015 . 0 0 "[ . 1 . 2]" 1
352 1 21 TYR QD 1 122 LEU MD1 . . 4.230 3.658 3.246 3.927 . 0 0 "[ . 1 . 2]" 1
353 1 21 TYR QD 1 122 LEU MD2 . . 4.210 4.152 3.853 4.269 0.059 20 0 "[ . 1 . 2]" 1
354 1 21 TYR QE 1 23 CYS HA . . 3.060 2.452 1.964 2.741 . 0 0 "[ . 1 . 2]" 1
355 1 21 TYR QE 1 23 CYS HB2 . . 3.740 3.253 2.188 3.532 . 0 0 "[ . 1 . 2]" 1
356 1 21 TYR QE 1 23 CYS HB3 . . 3.650 3.395 3.104 3.753 0.103 10 0 "[ . 1 . 2]" 1
357 1 21 TYR QE 1 26 ALA H . . 4.900 4.766 4.502 4.918 0.018 8 0 "[ . 1 . 2]" 1
358 1 21 TYR QE 1 26 ALA HA . . 4.090 3.360 3.270 3.431 . 0 0 "[ . 1 . 2]" 1
359 1 21 TYR QE 1 26 ALA MB . . 3.990 3.990 3.869 4.065 0.075 10 0 "[ . 1 . 2]" 1
360 1 21 TYR QE 1 27 GLU H . . 4.510 4.398 4.108 4.580 0.070 13 0 "[ . 1 . 2]" 1
361 1 21 TYR QE 1 28 LEU H . . 4.670 3.731 3.410 3.945 . 0 0 "[ . 1 . 2]" 1
362 1 21 TYR QE 1 28 LEU HA . . 4.560 4.326 4.135 4.466 . 0 0 "[ . 1 . 2]" 1
363 1 21 TYR QE 1 28 LEU HB2 . . 4.520 3.464 3.190 3.802 . 0 0 "[ . 1 . 2]" 1
364 1 21 TYR QE 1 28 LEU QD . . 4.140 3.992 3.837 4.091 . 0 0 "[ . 1 . 2]" 1
365 1 21 TYR QE 1 82 LEU H . . 4.380 3.389 3.033 3.650 . 0 0 "[ . 1 . 2]" 1
366 1 21 TYR QE 1 82 LEU HA . . 5.100 4.342 4.202 4.591 . 0 0 "[ . 1 . 2]" 1
367 1 21 TYR QE 1 82 LEU HB2 . . 4.180 3.858 3.705 3.993 . 0 0 "[ . 1 . 2]" 1
368 1 21 TYR QE 1 82 LEU HB3 . . 3.680 2.176 1.982 2.360 . 0 0 "[ . 1 . 2]" 1
369 1 21 TYR QE 1 82 LEU QD . . 3.710 2.295 1.755 2.935 . 0 0 "[ . 1 . 2]" 1
370 1 21 TYR QE 1 82 LEU HG . . 3.800 3.404 2.775 3.929 0.129 19 0 "[ . 1 . 2]" 1
371 1 21 TYR QE 1 83 ALA HA . . 4.930 4.171 3.934 4.533 . 0 0 "[ . 1 . 2]" 1
372 1 21 TYR QE 1 84 GLU H . . 4.920 3.549 3.130 3.921 . 0 0 "[ . 1 . 2]" 1
373 1 21 TYR QE 1 84 GLU HA . . 4.010 2.913 2.670 3.152 . 0 0 "[ . 1 . 2]" 1
374 1 21 TYR QE 1 84 GLU HB2 . . 4.150 2.316 2.073 2.498 . 0 0 "[ . 1 . 2]" 1
375 1 21 TYR QE 1 84 GLU HB3 . . 4.460 3.942 3.745 4.097 . 0 0 "[ . 1 . 2]" 1
376 1 21 TYR QE 1 84 GLU HG2 . . 4.170 3.745 3.456 3.921 . 0 0 "[ . 1 . 2]" 1
377 1 21 TYR QE 1 84 GLU HG3 . . 4.160 2.471 2.146 2.726 . 0 0 "[ . 1 . 2]" 1
378 1 21 TYR QE 1 87 LEU MD1 . . 3.660 2.384 2.106 2.619 . 0 0 "[ . 1 . 2]" 1
379 1 21 TYR QE 1 87 LEU MD2 . . 3.750 2.919 2.504 3.248 . 0 0 "[ . 1 . 2]" 1
380 1 21 TYR HH 1 23 CYS HA . . 4.380 3.854 3.420 4.113 . 0 0 "[ . 1 . 2]" 1
381 1 21 TYR HH 1 26 ALA H . . 4.680 4.544 4.358 4.702 0.022 7 0 "[ . 1 . 2]" 1
382 1 21 TYR HH 1 26 ALA HA . . 3.760 2.338 2.159 2.507 . 0 0 "[ . 1 . 2]" 1
383 1 21 TYR HH 1 26 ALA MB . . 3.490 2.647 2.362 2.846 . 0 0 "[ . 1 . 2]" 1
384 1 21 TYR HH 1 27 GLU H . . 4.860 4.500 4.183 4.850 . 0 0 "[ . 1 . 2]" 1
385 1 21 TYR HH 1 82 LEU QD . . 4.590 3.628 2.532 4.377 . 0 0 "[ . 1 . 2]" 1
386 1 21 TYR HH 1 83 ALA HA . . 3.940 2.498 2.240 3.023 . 0 0 "[ . 1 . 2]" 1
387 1 21 TYR HH 1 83 ALA MB . . 4.660 4.127 3.949 4.563 . 0 0 "[ . 1 . 2]" 1
388 1 21 TYR HH 1 84 GLU H . . 4.100 2.850 2.585 3.109 . 0 0 "[ . 1 . 2]" 1
389 1 21 TYR HH 1 84 GLU HA . . 4.080 3.704 3.022 4.069 . 0 0 "[ . 1 . 2]" 1
390 1 21 TYR HH 1 87 LEU MD2 . . 4.750 4.510 4.331 4.759 0.009 3 0 "[ . 1 . 2]" 1
391 1 22 ASP H 1 22 ASP HB2 . . 3.740 2.333 2.096 2.706 . 0 0 "[ . 1 . 2]" 1
392 1 22 ASP H 1 22 ASP HB3 . . 3.800 2.891 2.770 3.341 . 0 0 "[ . 1 . 2]" 1
393 1 22 ASP H 1 23 CYS H . . 4.880 3.986 3.747 4.049 . 0 0 "[ . 1 . 2]" 1
394 1 22 ASP H 1 27 GLU H . . 3.820 3.241 2.973 3.418 . 0 0 "[ . 1 . 2]" 1
395 1 22 ASP H 1 28 LEU HA . . 4.340 3.640 3.300 3.893 . 0 0 "[ . 1 . 2]" 1
396 1 22 ASP H 1 28 LEU QD . . 4.440 4.286 4.060 4.408 . 0 0 "[ . 1 . 2]" 1
397 1 22 ASP H 1 29 PHE H . . 5.000 4.826 4.448 5.070 0.070 6 0 "[ . 1 . 2]" 1
398 1 22 ASP HB2 1 25 LYS H . . 4.590 3.835 3.363 4.131 . 0 0 "[ . 1 . 2]" 1
399 1 22 ASP HB2 1 25 LYS HB2 . . 4.890 3.702 3.157 4.025 . 0 0 "[ . 1 . 2]" 1
400 1 22 ASP HB2 1 25 LYS HD2 . . 4.740 3.892 3.669 4.410 . 0 0 "[ . 1 . 2]" 1
401 1 22 ASP HB2 1 25 LYS HG2 . . 4.920 4.884 4.682 4.947 0.027 4 0 "[ . 1 . 2]" 1
402 1 22 ASP HB2 1 25 LYS HG3 . . 4.500 3.148 2.994 3.213 . 0 0 "[ . 1 . 2]" 1
403 1 22 ASP HB2 1 27 GLU H . . 4.390 4.169 3.402 4.411 0.021 2 0 "[ . 1 . 2]" 1
404 1 22 ASP HB2 1 29 PHE QD . . 5.040 3.319 2.918 3.592 . 0 0 "[ . 1 . 2]" 1
405 1 22 ASP HB2 1 29 PHE QE . . 4.030 2.297 1.981 2.679 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASP HB2 1 29 PHE HZ . . 4.870 4.061 3.667 4.437 . 0 0 "[ . 1 . 2]" 1
407 1 22 ASP HB3 1 24 GLN H . . 5.030 3.775 3.178 4.227 . 0 0 "[ . 1 . 2]" 1
408 1 22 ASP HB3 1 25 LYS H . . 4.510 2.179 1.945 2.479 . 0 0 "[ . 1 . 2]" 1
409 1 22 ASP HB3 1 25 LYS HB2 . . 4.650 2.583 2.433 3.080 . 0 0 "[ . 1 . 2]" 1
410 1 22 ASP HB3 1 25 LYS HB3 . . 3.900 4.079 3.969 4.480 0.580 18 3 "[ . 1 * +-2]" 1
411 1 22 ASP HB3 1 25 LYS HD2 . . 4.830 3.621 3.373 4.132 . 0 0 "[ . 1 . 2]" 1
412 1 22 ASP HB3 1 25 LYS HG2 . . 4.890 3.590 3.452 3.637 . 0 0 "[ . 1 . 2]" 1
413 1 22 ASP HB3 1 25 LYS HG3 . . 4.440 2.010 1.953 2.209 . 0 0 "[ . 1 . 2]" 1
414 1 22 ASP HB3 1 26 ALA H . . 4.970 3.444 3.116 3.765 . 0 0 "[ . 1 . 2]" 1
415 1 22 ASP HB3 1 27 GLU H . . 4.000 3.380 3.012 4.041 0.041 18 0 "[ . 1 . 2]" 1
416 1 22 ASP HB3 1 29 PHE QE . . 4.070 2.779 2.155 3.657 . 0 0 "[ . 1 . 2]" 1
417 1 23 CYS H 1 23 CYS HB2 . . 4.030 3.430 2.631 3.542 . 0 0 "[ . 1 . 2]" 1
418 1 23 CYS H 1 23 CYS HB3 . . 4.040 2.280 2.231 2.411 . 0 0 "[ . 1 . 2]" 1
419 1 23 CYS H 1 24 GLN H . . 3.870 2.861 2.835 2.901 . 0 0 "[ . 1 . 2]" 1
420 1 23 CYS H 1 24 GLN HG2 . . 4.830 4.338 4.252 4.449 . 0 0 "[ . 1 . 2]" 1
421 1 23 CYS HA 1 25 LYS H . . 4.800 4.423 4.307 4.527 . 0 0 "[ . 1 . 2]" 1
422 1 23 CYS HA 1 26 ALA H . . 3.820 3.029 2.956 3.136 . 0 0 "[ . 1 . 2]" 1
423 1 23 CYS HA 1 26 ALA HA . . 3.690 2.666 2.578 2.754 . 0 0 "[ . 1 . 2]" 1
424 1 23 CYS HA 1 26 ALA MB . . 4.090 3.714 3.629 3.845 . 0 0 "[ . 1 . 2]" 1
425 1 23 CYS HA 1 27 GLU H . . 4.490 4.547 4.507 4.599 0.109 14 0 "[ . 1 . 2]" 1
426 1 23 CYS HA 1 84 GLU HB2 . . 4.770 3.653 3.079 3.901 . 0 0 "[ . 1 . 2]" 1
427 1 23 CYS HB2 1 24 GLN H . . 4.160 4.113 3.925 4.206 0.046 20 0 "[ . 1 . 2]" 1
428 1 23 CYS HB2 1 24 GLN HG2 . . 5.000 4.910 4.822 5.105 0.105 10 0 "[ . 1 . 2]" 1
429 1 23 CYS HB2 1 84 GLU HB2 . . 4.640 3.392 2.919 3.712 . 0 0 "[ . 1 . 2]" 1
430 1 23 CYS HB2 1 84 GLU HB3 . . 4.880 4.581 4.183 4.890 0.010 19 0 "[ . 1 . 2]" 1
431 1 23 CYS HB3 1 24 GLN H . . 4.170 3.805 2.973 3.949 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLN H 1 24 GLN HB2 . . 3.380 2.717 2.654 2.776 . 0 0 "[ . 1 . 2]" 1
433 1 24 GLN H 1 24 GLN HB3 . . 3.420 3.530 3.520 3.540 0.120 12 0 "[ . 1 . 2]" 1
434 1 24 GLN H 1 24 GLN HG2 . . 3.490 1.971 1.925 2.081 . 0 0 "[ . 1 . 2]" 1
435 1 24 GLN H 1 24 GLN HG3 . . 3.560 2.482 2.354 2.665 . 0 0 "[ . 1 . 2]" 1
436 1 24 GLN H 1 25 LYS H . . 3.250 2.808 2.769 2.940 . 0 0 "[ . 1 . 2]" 1
437 1 24 GLN H 1 25 LYS HG2 . . 4.900 4.898 4.800 4.958 0.058 18 0 "[ . 1 . 2]" 1
438 1 24 GLN H 1 26 ALA H . . 4.130 3.615 3.513 3.983 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLN HA 1 24 GLN HG2 . . 3.420 2.593 2.548 2.629 . 0 0 "[ . 1 . 2]" 1
440 1 24 GLN HA 1 26 ALA H . . 4.740 4.167 3.876 4.741 0.001 4 0 "[ . 1 . 2]" 1
441 1 24 GLN HA 1 26 ALA MB . . 4.990 4.948 4.842 5.071 0.081 19 0 "[ . 1 . 2]" 1
442 1 24 GLN HB2 1 24 GLN HG2 . . 3.030 2.904 2.853 2.937 . 0 0 "[ . 1 . 2]" 1
443 1 24 GLN HB2 1 24 GLN HG3 . . 2.850 2.270 2.264 2.279 . 0 0 "[ . 1 . 2]" 1
444 1 24 GLN HB2 1 25 LYS H . . 3.760 2.531 2.458 2.586 . 0 0 "[ . 1 . 2]" 1
445 1 24 GLN HB2 1 25 LYS HA . . 4.800 4.259 4.180 4.352 . 0 0 "[ . 1 . 2]" 1
446 1 24 GLN HB2 1 25 LYS HG2 . . 4.930 2.818 2.780 2.860 . 0 0 "[ . 1 . 2]" 1
447 1 24 GLN HB2 1 25 LYS HG3 . . 4.630 2.925 2.821 3.036 . 0 0 "[ . 1 . 2]" 1
448 1 24 GLN HB2 1 26 ALA H . . 4.950 4.525 4.430 4.702 . 0 0 "[ . 1 . 2]" 1
449 1 24 GLN HB3 1 24 GLN HG3 . . 3.030 2.904 2.852 2.937 . 0 0 "[ . 1 . 2]" 1
450 1 24 GLN HB3 1 25 LYS H . . 3.770 3.806 3.775 3.827 0.057 17 0 "[ . 1 . 2]" 1
451 1 24 GLN HB3 1 25 LYS HA . . 4.930 4.718 4.695 4.761 . 0 0 "[ . 1 . 2]" 1
452 1 24 GLN HB3 1 25 LYS HG2 . . 4.740 3.775 3.619 3.937 . 0 0 "[ . 1 . 2]" 1
453 1 24 GLN HB3 1 25 LYS HG3 . . 4.590 4.466 4.330 4.615 0.025 17 0 "[ . 1 . 2]" 1
454 1 24 GLN HG2 1 25 LYS H . . 4.400 4.290 4.228 4.357 . 0 0 "[ . 1 . 2]" 1
455 1 24 GLN HG3 1 25 LYS H . . 4.390 4.112 3.963 4.308 . 0 0 "[ . 1 . 2]" 1
456 1 24 GLN HG3 1 25 LYS HG2 . . 4.960 4.976 4.946 5.004 0.044 16 0 "[ . 1 . 2]" 1
457 1 24 GLN HG3 1 25 LYS HG3 . . 4.930 4.590 4.454 4.656 . 0 0 "[ . 1 . 2]" 1
458 1 25 LYS H 1 25 LYS HB2 . . 3.970 2.771 2.685 2.868 . 0 0 "[ . 1 . 2]" 1
459 1 25 LYS H 1 25 LYS HD2 . . 4.550 4.402 4.275 4.558 0.008 18 0 "[ . 1 . 2]" 1
460 1 25 LYS H 1 25 LYS HD3 . . 4.730 4.616 4.548 4.707 . 0 0 "[ . 1 . 2]" 1
461 1 25 LYS H 1 25 LYS QE . . 4.370 4.389 4.361 4.451 0.081 15 0 "[ . 1 . 2]" 1
462 1 25 LYS H 1 25 LYS HG2 . . 3.390 2.684 2.610 2.731 . 0 0 "[ . 1 . 2]" 1
463 1 25 LYS H 1 25 LYS HG3 . . 3.670 2.176 2.041 2.354 . 0 0 "[ . 1 . 2]" 1
464 1 25 LYS H 1 26 ALA H . . 3.320 2.261 2.174 2.362 . 0 0 "[ . 1 . 2]" 1
465 1 25 LYS H 1 26 ALA HA . . 4.410 4.397 4.340 4.449 0.039 17 0 "[ . 1 . 2]" 1
466 1 25 LYS H 1 26 ALA MB . . 4.470 4.435 4.354 4.531 0.061 15 0 "[ . 1 . 2]" 1
467 1 25 LYS H 1 27 GLU H . . 4.450 3.762 3.449 3.950 . 0 0 "[ . 1 . 2]" 1
468 1 25 LYS HA 1 25 LYS HB3 . . 2.990 2.320 2.288 2.352 . 0 0 "[ . 1 . 2]" 1
469 1 25 LYS HA 1 25 LYS HD3 . . 4.290 4.083 3.862 4.255 . 0 0 "[ . 1 . 2]" 1
470 1 25 LYS HA 1 25 LYS QE . . 4.090 4.089 3.949 4.121 0.031 8 0 "[ . 1 . 2]" 1
471 1 25 LYS HA 1 25 LYS HG2 . . 3.390 2.664 2.573 2.768 . 0 0 "[ . 1 . 2]" 1
472 1 25 LYS HA 1 25 LYS HG3 . . 3.490 3.580 3.550 3.608 0.118 19 0 "[ . 1 . 2]" 1
473 1 25 LYS HB2 1 25 LYS HD2 . . 3.930 3.217 3.150 3.278 . 0 0 "[ . 1 . 2]" 1
474 1 25 LYS HB2 1 25 LYS QE . . 4.560 4.170 4.057 4.240 . 0 0 "[ . 1 . 2]" 1
475 1 25 LYS HB2 1 26 ALA H . . 4.570 3.461 2.904 3.841 . 0 0 "[ . 1 . 2]" 1
476 1 25 LYS HB2 1 27 GLU H . . 4.620 2.845 2.667 2.949 . 0 0 "[ . 1 . 2]" 1
477 1 25 LYS HB2 1 27 GLU QB . . 4.980 2.745 2.400 3.227 . 0 0 "[ . 1 . 2]" 1
478 1 25 LYS HB2 1 27 GLU HG2 . . 4.590 4.620 4.483 4.716 0.126 7 0 "[ . 1 . 2]" 1
479 1 25 LYS HB2 1 27 GLU HG3 . . 4.380 3.749 3.277 4.136 . 0 0 "[ . 1 . 2]" 1
480 1 25 LYS HB2 1 29 PHE HZ . . 4.880 3.316 2.859 3.734 . 0 0 "[ . 1 . 2]" 1
481 1 25 LYS HB3 1 25 LYS HD2 . . 4.020 3.352 3.172 3.501 . 0 0 "[ . 1 . 2]" 1
482 1 25 LYS HB3 1 25 LYS HD3 . . 3.210 2.142 2.064 2.230 . 0 0 "[ . 1 . 2]" 1
483 1 25 LYS HB3 1 25 LYS QE . . 4.900 3.457 3.207 3.683 . 0 0 "[ . 1 . 2]" 1
484 1 25 LYS HB3 1 26 ALA H . . 4.590 4.433 4.142 4.624 0.034 13 0 "[ . 1 . 2]" 1
485 1 25 LYS HB3 1 27 GLU H . . 4.930 4.274 4.102 4.399 . 0 0 "[ . 1 . 2]" 1
486 1 25 LYS HB3 1 27 GLU HG3 . . 4.810 3.729 3.123 4.293 . 0 0 "[ . 1 . 2]" 1
487 1 25 LYS HD2 1 25 LYS HG3 . . 2.940 2.285 2.267 2.309 . 0 0 "[ . 1 . 2]" 1
488 1 25 LYS HD2 1 29 PHE QE . . 4.810 3.617 3.112 4.333 . 0 0 "[ . 1 . 2]" 1
489 1 25 LYS HD2 1 29 PHE HZ . . 3.740 2.842 2.351 3.742 0.002 6 0 "[ . 1 . 2]" 1
490 1 25 LYS HD3 1 29 PHE QE . . 4.950 4.079 3.749 4.698 . 0 0 "[ . 1 . 2]" 1
491 1 25 LYS HD3 1 29 PHE HZ . . 3.830 3.001 2.658 3.873 0.043 15 0 "[ . 1 . 2]" 1
492 1 25 LYS QE 1 25 LYS HG2 . . 3.080 2.060 1.963 2.182 . 0 0 "[ . 1 . 2]" 1
493 1 25 LYS QE 1 25 LYS HG3 . . 3.030 2.905 2.791 3.007 . 0 0 "[ . 1 . 2]" 1
494 1 25 LYS HG2 1 26 ALA H . . 4.910 4.592 4.472 4.653 . 0 0 "[ . 1 . 2]" 1
495 1 25 LYS HG3 1 26 ALA H . . 4.770 4.166 3.780 4.515 . 0 0 "[ . 1 . 2]" 1
496 1 26 ALA H 1 26 ALA MB . . 3.140 2.808 2.696 2.994 . 0 0 "[ . 1 . 2]" 1
497 1 26 ALA H 1 27 GLU H . . 3.150 2.720 2.289 2.932 . 0 0 "[ . 1 . 2]" 1
498 1 26 ALA HA 1 27 GLU H . . 3.110 2.885 2.831 3.011 . 0 0 "[ . 1 . 2]" 1
499 1 26 ALA HA 1 82 LEU H . . 4.900 4.641 4.228 4.847 . 0 0 "[ . 1 . 2]" 1
500 1 26 ALA MB 1 27 GLU HA . . 4.380 4.203 4.135 4.236 . 0 0 "[ . 1 . 2]" 1
501 1 26 ALA MB 1 82 LEU H . . 3.750 3.769 3.517 3.834 0.084 12 0 "[ . 1 . 2]" 1
502 1 26 ALA MB 1 83 ALA HA . . 3.030 2.893 2.538 3.062 0.032 4 0 "[ . 1 . 2]" 1
503 1 26 ALA MB 1 84 GLU H . . 3.530 3.497 3.293 3.572 0.042 14 0 "[ . 1 . 2]" 1
504 1 26 ALA MB 1 84 GLU HB2 . . 4.430 4.300 3.871 4.438 0.008 6 0 "[ . 1 . 2]" 1
505 1 27 GLU H 1 27 GLU QB . . 3.360 2.650 2.491 2.832 . 0 0 "[ . 1 . 2]" 1
506 1 27 GLU H 1 27 GLU HG2 . . 4.400 3.722 3.332 4.389 . 0 0 "[ . 1 . 2]" 1
507 1 27 GLU H 1 27 GLU HG3 . . 4.290 3.704 2.996 4.281 . 0 0 "[ . 1 . 2]" 1
508 1 27 GLU H 1 28 LEU H . . 4.580 4.317 4.179 4.476 . 0 0 "[ . 1 . 2]" 1
509 1 27 GLU H 1 29 PHE QE . . 5.040 3.292 2.970 3.683 . 0 0 "[ . 1 . 2]" 1
510 1 27 GLU H 1 82 LEU H . . 4.820 4.548 4.187 4.911 0.091 6 0 "[ . 1 . 2]" 1
511 1 27 GLU HA 1 27 GLU HG2 . . 3.880 2.497 2.232 3.429 . 0 0 "[ . 1 . 2]" 1
512 1 27 GLU HA 1 27 GLU HG3 . . 3.860 3.351 2.427 3.629 . 0 0 "[ . 1 . 2]" 1
513 1 27 GLU HA 1 28 LEU H . . 3.160 2.246 2.205 2.306 . 0 0 "[ . 1 . 2]" 1
514 1 27 GLU HA 1 28 LEU HB3 . . 4.650 4.736 4.638 4.846 0.196 9 0 "[ . 1 . 2]" 1
515 1 27 GLU HA 1 82 LEU H . . 3.700 2.252 1.970 2.755 . 0 0 "[ . 1 . 2]" 1
516 1 27 GLU HA 1 82 LEU HB3 . . 4.810 3.798 3.378 4.400 . 0 0 "[ . 1 . 2]" 1
517 1 27 GLU QB 1 28 LEU H . . 4.390 3.157 2.899 3.387 . 0 0 "[ . 1 . 2]" 1
518 1 27 GLU QB 1 29 PHE QE . . 4.370 2.857 2.125 3.295 . 0 0 "[ . 1 . 2]" 1
519 1 27 GLU QB 1 29 PHE HZ . . 4.540 3.219 2.708 3.521 . 0 0 "[ . 1 . 2]" 1
520 1 27 GLU QB 1 79 VAL QG . . 3.200 2.102 1.971 2.231 . 0 0 "[ . 1 . 2]" 1
521 1 27 GLU QB 1 80 LEU H . . 4.740 3.769 2.959 4.630 . 0 0 "[ . 1 . 2]" 1
522 1 27 GLU QB 1 81 PRO HA . . 4.050 3.205 2.707 3.762 . 0 0 "[ . 1 . 2]" 1
523 1 27 GLU HG2 1 28 LEU H . . 4.740 4.484 4.238 5.130 0.390 4 0 "[ . 1 . 2]" 1
524 1 27 GLU HG2 1 79 VAL QG . . 4.350 4.151 3.461 4.406 0.056 14 0 "[ . 1 . 2]" 1
525 1 27 GLU HG2 1 81 PRO HA . . 3.870 2.426 1.988 3.428 . 0 0 "[ . 1 . 2]" 1
526 1 27 GLU HG2 1 82 LEU H . . 4.260 3.340 2.739 4.902 0.642 6 1 "[ .+ 1 . 2]" 1
527 1 27 GLU HG3 1 79 VAL QG . . 3.800 3.943 3.600 4.568 0.768 19 4 "[ *.- 1 . *+2]" 1
528 1 27 GLU HG3 1 81 PRO HA . . 3.810 3.592 2.779 3.954 0.144 15 0 "[ . 1 . 2]" 1
529 1 28 LEU H 1 28 LEU HB2 . . 3.940 2.455 2.316 2.637 . 0 0 "[ . 1 . 2]" 1
530 1 28 LEU H 1 28 LEU HB3 . . 3.790 2.507 2.441 2.584 . 0 0 "[ . 1 . 2]" 1
531 1 28 LEU H 1 28 LEU QD . . 4.310 3.629 3.567 3.756 . 0 0 "[ . 1 . 2]" 1
532 1 28 LEU H 1 28 LEU HG . . 4.960 4.511 4.416 4.598 . 0 0 "[ . 1 . 2]" 1
533 1 28 LEU H 1 79 VAL QG . . 4.180 3.957 3.019 4.281 0.101 19 0 "[ . 1 . 2]" 1
534 1 28 LEU H 1 80 LEU H . . 3.780 3.154 2.559 3.595 . 0 0 "[ . 1 . 2]" 1
535 1 28 LEU H 1 81 PRO HA . . 4.000 3.539 3.234 3.870 . 0 0 "[ . 1 . 2]" 1
536 1 28 LEU H 1 82 LEU H . . 4.000 3.494 3.237 3.862 . 0 0 "[ . 1 . 2]" 1
537 1 28 LEU H 1 82 LEU HB3 . . 4.310 3.287 2.857 4.093 . 0 0 "[ . 1 . 2]" 1
538 1 28 LEU HA 1 28 LEU QD . . 3.160 2.020 1.872 2.222 . 0 0 "[ . 1 . 2]" 1
539 1 28 LEU HA 1 28 LEU HG . . 4.100 3.415 3.012 3.702 . 0 0 "[ . 1 . 2]" 1
540 1 28 LEU HA 1 29 PHE H . . 3.200 2.363 2.236 2.513 . 0 0 "[ . 1 . 2]" 1
541 1 28 LEU HB2 1 29 PHE H . . 4.710 4.089 3.870 4.270 . 0 0 "[ . 1 . 2]" 1
542 1 28 LEU HB2 1 80 LEU H . . 4.970 4.340 3.637 4.641 . 0 0 "[ . 1 . 2]" 1
543 1 28 LEU HB2 1 82 LEU QD . . 4.110 3.149 2.569 3.526 . 0 0 "[ . 1 . 2]" 1
544 1 28 LEU HB3 1 29 PHE H . . 5.050 3.794 3.517 4.057 . 0 0 "[ . 1 . 2]" 1
545 1 28 LEU HB3 1 80 LEU H . . 4.300 2.901 2.065 3.442 . 0 0 "[ . 1 . 2]" 1
546 1 28 LEU HB3 1 80 LEU QD . . 3.810 3.366 2.808 3.734 . 0 0 "[ . 1 . 2]" 1
547 1 28 LEU QD 1 29 PHE H . . 3.280 1.937 1.644 2.131 . 0 0 "[ . 1 . 2]" 1
548 1 28 LEU QD 1 29 PHE HA . . 4.610 3.530 2.933 4.319 . 0 0 "[ . 1 . 2]" 1
549 1 28 LEU QD 1 80 LEU H . . 4.780 3.621 2.865 4.187 . 0 0 "[ . 1 . 2]" 1
550 1 28 LEU QD 1 82 LEU QD . . 3.620 3.392 2.872 3.618 . 0 0 "[ . 1 . 2]" 1
551 1 28 LEU QD 1 92 LEU HA . . 4.950 4.640 4.168 4.919 . 0 0 "[ . 1 . 2]" 1
552 1 28 LEU QD 1 92 LEU HB2 . . 4.310 2.891 2.449 3.288 . 0 0 "[ . 1 . 2]" 1
553 1 28 LEU QD 1 92 LEU HG . . 4.440 2.940 2.079 4.379 . 0 0 "[ . 1 . 2]" 1
554 1 28 LEU QD 1 115 LEU HA . . 4.570 3.680 3.391 4.060 . 0 0 "[ . 1 . 2]" 1
555 1 28 LEU QD 1 115 LEU QD . . 2.760 2.122 1.613 2.498 . 0 0 "[ . 1 . 2]" 1
556 1 28 LEU HG 1 29 PHE H . . 4.180 3.298 1.876 4.386 0.206 19 0 "[ . 1 . 2]" 1
557 1 29 PHE H 1 29 PHE HB2 . . 3.850 2.518 2.382 2.795 . 0 0 "[ . 1 . 2]" 1
558 1 29 PHE H 1 29 PHE HB3 . . 3.830 3.677 3.601 3.840 0.010 6 0 "[ . 1 . 2]" 1
559 1 29 PHE H 1 29 PHE QD . . 4.360 2.896 2.409 3.312 . 0 0 "[ . 1 . 2]" 1
560 1 29 PHE H 1 30 VAL H . . 4.350 4.391 4.188 4.500 0.150 16 0 "[ . 1 . 2]" 1
561 1 29 PHE H 1 30 VAL HA . . 5.020 4.773 4.566 4.930 . 0 0 "[ . 1 . 2]" 1
562 1 29 PHE H 1 30 VAL QG . . 4.850 3.627 3.274 3.903 . 0 0 "[ . 1 . 2]" 1
563 1 29 PHE HA 1 29 PHE QD . . 3.870 3.055 2.821 3.193 . 0 0 "[ . 1 . 2]" 1
564 1 29 PHE HA 1 30 VAL H . . 2.820 2.272 2.226 2.317 . 0 0 "[ . 1 . 2]" 1
565 1 29 PHE HA 1 30 VAL HA . . 4.920 4.412 4.394 4.430 . 0 0 "[ . 1 . 2]" 1
566 1 29 PHE HA 1 30 VAL HB . . 4.600 4.533 4.391 4.696 0.096 4 0 "[ . 1 . 2]" 1
567 1 29 PHE HA 1 30 VAL QG . . 3.910 3.354 3.110 3.528 . 0 0 "[ . 1 . 2]" 1
568 1 29 PHE HA 1 31 THR MG . . 4.340 4.213 4.020 4.349 0.009 16 0 "[ . 1 . 2]" 1
569 1 29 PHE HA 1 78 LEU H . . 4.800 4.564 4.204 4.800 . 0 0 "[ . 1 . 2]" 1
570 1 29 PHE HA 1 79 VAL HA . . 3.560 2.248 1.930 2.628 . 0 0 "[ . 1 . 2]" 1
571 1 29 PHE HA 1 79 VAL QG . . 3.880 3.249 3.026 3.595 . 0 0 "[ . 1 . 2]" 1
572 1 29 PHE HA 1 80 LEU H . . 4.000 3.649 3.359 3.882 . 0 0 "[ . 1 . 2]" 1
573 1 29 PHE HA 1 80 LEU QD . . 4.790 4.414 4.061 4.671 . 0 0 "[ . 1 . 2]" 1
574 1 29 PHE HB2 1 30 VAL H . . 4.150 4.171 4.056 4.272 0.122 4 0 "[ . 1 . 2]" 1
575 1 29 PHE HB3 1 30 VAL H . . 4.060 3.108 2.946 3.303 . 0 0 "[ . 1 . 2]" 1
576 1 29 PHE HB3 1 30 VAL QG . . 4.670 4.503 4.443 4.587 . 0 0 "[ . 1 . 2]" 1
577 1 29 PHE HB3 1 31 THR MG . . 3.230 2.569 2.416 2.761 . 0 0 "[ . 1 . 2]" 1
578 1 29 PHE QD 1 30 VAL H . . 4.660 4.011 3.748 4.298 . 0 0 "[ . 1 . 2]" 1
579 1 29 PHE QD 1 31 THR MG . . 4.000 3.318 3.029 3.643 . 0 0 "[ . 1 . 2]" 1
580 1 29 PHE QD 1 79 VAL HA . . 4.590 3.863 3.509 4.165 . 0 0 "[ . 1 . 2]" 1
581 1 29 PHE QD 1 79 VAL QG . . 3.260 2.560 1.947 2.995 . 0 0 "[ . 1 . 2]" 1
582 1 29 PHE QE 1 79 VAL QG . . 3.380 2.429 1.987 2.696 . 0 0 "[ . 1 . 2]" 1
583 1 29 PHE HZ 1 79 VAL QG . . 4.640 3.066 2.734 3.370 . 0 0 "[ . 1 . 2]" 1
584 1 30 VAL H 1 30 VAL HB . . 3.780 2.681 2.584 2.751 . 0 0 "[ . 1 . 2]" 1
585 1 30 VAL H 1 30 VAL QG . . 3.190 2.744 2.551 2.933 . 0 0 "[ . 1 . 2]" 1
586 1 30 VAL H 1 31 THR MG . . 3.760 3.282 3.050 3.537 . 0 0 "[ . 1 . 2]" 1
587 1 30 VAL H 1 78 LEU HB2 . . 4.210 3.207 2.858 3.498 . 0 0 "[ . 1 . 2]" 1
588 1 30 VAL H 1 78 LEU HB3 . . 4.790 4.526 4.311 4.700 . 0 0 "[ . 1 . 2]" 1
589 1 30 VAL H 1 78 LEU QD . . 4.840 4.364 3.313 4.568 . 0 0 "[ . 1 . 2]" 1
590 1 30 VAL H 1 78 LEU HG . . 5.090 4.586 4.148 5.407 0.317 15 0 "[ . 1 . 2]" 1
591 1 30 VAL H 1 79 VAL HA . . 3.960 3.696 3.314 4.071 0.111 17 0 "[ . 1 . 2]" 1
592 1 30 VAL H 1 79 VAL QG . . 3.930 3.946 3.855 4.118 0.188 10 0 "[ . 1 . 2]" 1
593 1 30 VAL H 1 80 LEU QD . . 4.830 4.629 4.299 4.784 . 0 0 "[ . 1 . 2]" 1
594 1 30 VAL HA 1 30 VAL QG . . 3.190 2.139 2.046 2.170 . 0 0 "[ . 1 . 2]" 1
595 1 30 VAL HA 1 31 THR H . . 3.190 2.416 2.266 2.476 . 0 0 "[ . 1 . 2]" 1
596 1 30 VAL HA 1 31 THR MG . . 4.120 4.025 3.732 4.141 0.021 3 0 "[ . 1 . 2]" 1
597 1 30 VAL HB 1 78 LEU H . . 3.530 2.635 2.232 2.932 . 0 0 "[ . 1 . 2]" 1
598 1 30 VAL HB 1 78 LEU HB2 . . 3.630 1.984 1.947 2.046 . 0 0 "[ . 1 . 2]" 1
599 1 30 VAL HB 1 78 LEU HB3 . . 3.950 3.709 3.638 3.763 . 0 0 "[ . 1 . 2]" 1
600 1 30 VAL HB 1 78 LEU QD . . 3.580 2.781 1.757 3.087 . 0 0 "[ . 1 . 2]" 1
601 1 30 VAL HB 1 78 LEU HG . . 4.090 3.129 2.337 3.957 . 0 0 "[ . 1 . 2]" 1
602 1 30 VAL HB 1 94 LEU QD . . 4.020 3.492 3.208 3.820 . 0 0 "[ . 1 . 2]" 1
603 1 30 VAL QG 1 31 THR H . . 3.710 3.501 3.326 3.556 . 0 0 "[ . 1 . 2]" 1
604 1 30 VAL QG 1 77 GLY QA . . 4.980 4.171 4.028 4.328 . 0 0 "[ . 1 . 2]" 1
605 1 30 VAL QG 1 78 LEU H . . 3.850 3.419 3.196 3.611 . 0 0 "[ . 1 . 2]" 1
606 1 30 VAL QG 1 78 LEU HB2 . . 3.140 2.664 2.362 2.912 . 0 0 "[ . 1 . 2]" 1
607 1 30 VAL QG 1 78 LEU HB3 . . 4.360 3.790 3.504 4.034 . 0 0 "[ . 1 . 2]" 1
608 1 30 VAL QG 1 78 LEU QD . . 3.320 2.566 1.798 2.872 . 0 0 "[ . 1 . 2]" 1
609 1 30 VAL QG 1 78 LEU HG . . 4.210 3.451 2.876 3.976 . 0 0 "[ . 1 . 2]" 1
610 1 30 VAL QG 1 92 LEU QD . . 3.750 2.092 1.667 2.614 . 0 0 "[ . 1 . 2]" 1
611 1 30 VAL QG 1 94 LEU QD . . 2.850 1.904 1.747 2.060 . 0 0 "[ . 1 . 2]" 1
612 1 31 THR H 1 31 THR MG . . 3.700 2.319 2.134 2.487 . 0 0 "[ . 1 . 2]" 1
613 1 31 THR HA 1 31 THR MG . . 3.230 2.478 2.404 2.582 . 0 0 "[ . 1 . 2]" 1
614 1 31 THR HA 1 32 ARG H . . 3.630 2.759 2.610 2.941 . 0 0 "[ . 1 . 2]" 1
615 1 31 THR HA 1 32 ARG HA . . 4.980 4.618 4.536 4.693 . 0 0 "[ . 1 . 2]" 1
616 1 31 THR HA 1 33 LEU QD . . 4.920 3.134 2.115 3.831 . 0 0 "[ . 1 . 2]" 1
617 1 31 THR HA 1 77 GLY QA . . 4.400 1.984 1.850 2.247 . 0 0 "[ . 1 . 2]" 1
618 1 31 THR HA 1 78 LEU H . . 4.480 3.561 3.182 3.903 . 0 0 "[ . 1 . 2]" 1
619 1 31 THR HB 1 32 ARG H . . 3.290 2.060 1.944 2.240 . 0 0 "[ . 1 . 2]" 1
620 1 31 THR HB 1 32 ARG HA . . 4.240 4.113 4.014 4.283 0.043 12 0 "[ . 1 . 2]" 1
621 1 31 THR HB 1 32 ARG QD . . 4.590 4.397 3.847 4.609 0.019 12 0 "[ . 1 . 2]" 1
622 1 31 THR HB 1 32 ARG QG . . 4.210 3.008 2.686 3.427 . 0 0 "[ . 1 . 2]" 1
623 1 31 THR HB 1 77 GLY QA . . 4.950 3.553 2.850 4.006 . 0 0 "[ . 1 . 2]" 1
624 1 31 THR MG 1 32 ARG H . . 3.660 3.658 3.590 3.748 0.088 12 0 "[ . 1 . 2]" 1
625 1 31 THR MG 1 32 ARG QG . . 4.320 4.227 4.033 4.461 0.141 20 0 "[ . 1 . 2]" 1
626 1 31 THR MG 1 77 GLY H . . 4.840 3.200 2.803 4.114 . 0 0 "[ . 1 . 2]" 1
627 1 31 THR MG 1 77 GLY QA . . 3.790 2.179 1.888 2.451 . 0 0 "[ . 1 . 2]" 1
628 1 31 THR MG 1 78 LEU H . . 4.420 3.816 3.325 4.350 . 0 0 "[ . 1 . 2]" 1
629 1 32 ARG H 1 32 ARG QD . . 4.150 3.393 3.028 4.094 . 0 0 "[ . 1 . 2]" 1
630 1 32 ARG H 1 32 ARG QG . . 4.060 2.486 2.311 2.760 . 0 0 "[ . 1 . 2]" 1
631 1 32 ARG HA 1 32 ARG QD . . 3.720 2.451 2.140 4.069 0.349 20 0 "[ . 1 . 2]" 1
632 1 32 ARG HA 1 32 ARG QG . . 3.760 2.744 2.408 2.884 . 0 0 "[ . 1 . 2]" 1
633 1 32 ARG HB2 1 125 ALA MB . . 4.290 3.063 2.633 3.683 . 0 0 "[ . 1 . 2]" 1
634 1 32 ARG HB3 1 32 ARG QD . . 3.860 2.245 1.994 2.713 . 0 0 "[ . 1 . 2]" 1
635 1 32 ARG QD 1 125 ALA MB . . 3.710 3.474 2.088 3.730 0.020 12 0 "[ . 1 . 2]" 1
636 1 32 ARG QG 1 125 ALA MB . . 4.170 2.700 1.985 3.878 . 0 0 "[ . 1 . 2]" 1
637 1 33 LEU H 1 33 LEU HB2 . . 3.670 2.233 1.994 2.416 . 0 0 "[ . 1 . 2]" 1
638 1 33 LEU H 1 33 LEU HB3 . . 4.090 3.472 3.138 3.593 . 0 0 "[ . 1 . 2]" 1
639 1 33 LEU H 1 33 LEU QD . . 3.930 3.079 2.282 3.593 . 0 0 "[ . 1 . 2]" 1
640 1 33 LEU HA 1 33 LEU QD . . 3.070 1.984 1.827 2.271 . 0 0 "[ . 1 . 2]" 1
641 1 33 LEU HA 1 33 LEU HG . . 4.040 3.087 2.668 3.583 . 0 0 "[ . 1 . 2]" 1
642 1 33 LEU HA 1 34 GLU H . . 3.170 2.183 2.176 2.213 . 0 0 "[ . 1 . 2]" 1
643 1 33 LEU HA 1 34 GLU HB2 . . 4.910 4.627 4.182 4.919 0.009 19 0 "[ . 1 . 2]" 1
644 1 33 LEU HB2 1 48 VAL QG . . 4.740 3.619 3.080 4.010 . 0 0 "[ . 1 . 2]" 1
645 1 33 LEU HB2 1 63 THR MG . . 4.160 3.435 2.881 3.834 . 0 0 "[ . 1 . 2]" 1
646 1 33 LEU HB2 1 74 TRP H . . 4.600 3.569 3.158 4.207 . 0 0 "[ . 1 . 2]" 1
647 1 33 LEU HB2 1 74 TRP HB2 . . 4.550 2.369 1.996 3.340 . 0 0 "[ . 1 . 2]" 1
648 1 33 LEU HB2 1 74 TRP HB3 . . 4.570 3.927 3.517 4.863 0.293 3 0 "[ . 1 . 2]" 1
649 1 33 LEU HB2 1 74 TRP HE3 . . 4.500 2.749 2.097 3.631 . 0 0 "[ . 1 . 2]" 1
650 1 33 LEU HB3 1 33 LEU QD . . 3.130 2.243 2.063 2.461 . 0 0 "[ . 1 . 2]" 1
651 1 33 LEU HB3 1 34 GLU H . . 5.060 3.585 3.337 4.152 . 0 0 "[ . 1 . 2]" 1
652 1 33 LEU HB3 1 48 VAL QG . . 4.780 2.484 1.964 3.027 . 0 0 "[ . 1 . 2]" 1
653 1 33 LEU HB3 1 63 THR MG . . 5.040 3.799 2.764 4.107 . 0 0 "[ . 1 . 2]" 1
654 1 33 LEU HB3 1 74 TRP HB2 . . 5.050 3.285 2.591 3.889 . 0 0 "[ . 1 . 2]" 1
655 1 33 LEU HB3 1 74 TRP HE3 . . 4.570 2.256 1.983 3.171 . 0 0 "[ . 1 . 2]" 1
656 1 33 LEU QD 1 34 GLU H . . 3.780 3.158 2.380 3.518 . 0 0 "[ . 1 . 2]" 1
657 1 33 LEU QD 1 48 VAL HB . . 4.340 2.539 1.794 3.971 . 0 0 "[ . 1 . 2]" 1
658 1 33 LEU QD 1 48 VAL QG . . 2.940 1.777 1.678 2.251 . 0 0 "[ . 1 . 2]" 1
659 1 33 LEU QD 1 63 THR HB . . 4.770 3.951 3.292 4.611 . 0 0 "[ . 1 . 2]" 1
660 1 33 LEU QD 1 63 THR MG . . 2.940 2.001 1.610 2.562 . 0 0 "[ . 1 . 2]" 1
661 1 33 LEU QD 1 74 TRP HB2 . . 4.580 3.293 2.738 3.775 . 0 0 "[ . 1 . 2]" 1
662 1 33 LEU QD 1 77 GLY H . . 4.990 4.604 4.014 4.842 . 0 0 "[ . 1 . 2]" 1
663 1 33 LEU QD 1 77 GLY QA . . 3.790 2.189 1.793 2.493 . 0 0 "[ . 1 . 2]" 1
664 1 33 LEU QD 1 78 LEU H . . 3.890 2.907 2.514 3.321 . 0 0 "[ . 1 . 2]" 1
665 1 33 LEU QD 1 78 LEU HA . . 4.680 4.412 4.149 4.649 . 0 0 "[ . 1 . 2]" 1
666 1 33 LEU QD 1 78 LEU HG . . 3.370 2.258 1.923 3.401 0.031 15 0 "[ . 1 . 2]" 1
667 1 33 LEU HG 1 48 VAL QG . . 4.680 3.140 1.840 4.029 . 0 0 "[ . 1 . 2]" 1
668 1 33 LEU HG 1 63 THR MG . . 4.700 3.399 1.966 4.321 . 0 0 "[ . 1 . 2]" 1
669 1 34 GLU H 1 34 GLU QG . . 4.780 3.195 2.681 3.927 . 0 0 "[ . 1 . 2]" 1
670 1 34 GLU HA 1 34 GLU QG . . 3.870 2.372 2.039 2.624 . 0 0 "[ . 1 . 2]" 1
671 1 34 GLU HA 1 35 ALA H . . 3.410 2.267 2.205 2.346 . 0 0 "[ . 1 . 2]" 1
672 1 34 GLU HA 1 35 ALA MB . . 4.320 4.044 3.993 4.104 . 0 0 "[ . 1 . 2]" 1
673 1 34 GLU HA 1 72 THR MG . . 4.770 4.706 4.563 4.808 0.038 3 0 "[ . 1 . 2]" 1
674 1 34 GLU HA 1 73 THR HA . . 3.650 2.536 2.105 2.676 . 0 0 "[ . 1 . 2]" 1
675 1 34 GLU HA 1 73 THR HB . . 4.580 4.432 4.075 4.578 . 0 0 "[ . 1 . 2]" 1
676 1 34 GLU HA 1 73 THR MG . . 3.990 2.753 2.224 3.194 . 0 0 "[ . 1 . 2]" 1
677 1 34 GLU HA 1 74 TRP H . . 4.270 4.121 3.593 4.300 0.030 4 0 "[ . 1 . 2]" 1
678 1 34 GLU HA 1 74 TRP HE3 . . 4.270 3.327 2.812 3.574 . 0 0 "[ . 1 . 2]" 1
679 1 34 GLU HA 1 74 TRP HZ3 . . 4.360 2.861 2.451 3.179 . 0 0 "[ . 1 . 2]" 1
680 1 34 GLU HB2 1 35 ALA H . . 4.870 4.522 4.402 4.708 . 0 0 "[ . 1 . 2]" 1
681 1 34 GLU HB2 1 73 THR MG . . 4.380 3.848 3.367 4.253 . 0 0 "[ . 1 . 2]" 1
682 1 34 GLU HB3 1 35 ALA H . . 4.550 4.001 3.700 4.200 . 0 0 "[ . 1 . 2]" 1
683 1 34 GLU HB3 1 73 THR MG . . 3.800 2.638 1.954 3.775 . 0 0 "[ . 1 . 2]" 1
684 1 34 GLU QG 1 35 ALA H . . 4.660 4.368 3.926 4.562 . 0 0 "[ . 1 . 2]" 1
685 1 34 GLU QG 1 73 THR HA . . 4.820 2.658 2.171 3.323 . 0 0 "[ . 1 . 2]" 1
686 1 34 GLU QG 1 73 THR HB . . 4.030 2.866 2.172 3.351 . 0 0 "[ . 1 . 2]" 1
687 1 34 GLU QG 1 73 THR MG . . 3.330 2.044 1.745 2.523 . 0 0 "[ . 1 . 2]" 1
688 1 34 GLU QG 1 74 TRP H . . 4.720 3.489 2.731 3.947 . 0 0 "[ . 1 . 2]" 1
689 1 35 ALA H 1 35 ALA MB . . 3.460 2.143 2.108 2.193 . 0 0 "[ . 1 . 2]" 1
690 1 35 ALA H 1 71 HIS HA . . 5.000 4.928 4.711 5.045 0.045 19 0 "[ . 1 . 2]" 1
691 1 35 ALA H 1 71 HIS HD2 . . 4.730 4.024 3.714 4.333 . 0 0 "[ . 1 . 2]" 1
692 1 35 ALA H 1 72 THR H . . 4.140 3.838 3.468 4.056 . 0 0 "[ . 1 . 2]" 1
693 1 35 ALA H 1 72 THR HB . . 4.520 3.431 3.171 3.937 . 0 0 "[ . 1 . 2]" 1
694 1 35 ALA H 1 72 THR MG . . 4.650 4.195 3.918 4.421 . 0 0 "[ . 1 . 2]" 1
695 1 35 ALA H 1 73 THR HA . . 4.580 3.985 3.498 4.159 . 0 0 "[ . 1 . 2]" 1
696 1 35 ALA H 1 73 THR MG . . 4.670 4.224 3.831 4.504 . 0 0 "[ . 1 . 2]" 1
697 1 35 ALA H 1 74 TRP HH2 . . 5.070 3.449 3.135 3.656 . 0 0 "[ . 1 . 2]" 1
698 1 35 ALA H 1 74 TRP HZ3 . . 4.260 1.999 1.925 2.249 . 0 0 "[ . 1 . 2]" 1
699 1 35 ALA HA 1 36 VAL H . . 3.210 2.283 2.193 2.464 . 0 0 "[ . 1 . 2]" 1
700 1 35 ALA HA 1 36 VAL HB . . 4.700 4.259 4.165 4.350 . 0 0 "[ . 1 . 2]" 1
701 1 35 ALA HA 1 36 VAL MG2 . . 4.280 3.782 3.512 4.059 . 0 0 "[ . 1 . 2]" 1
702 1 35 ALA HA 1 127 TRP HZ3 . . 4.260 3.677 3.265 4.096 . 0 0 "[ . 1 . 2]" 1
703 1 35 ALA MB 1 36 VAL H . . 3.520 2.920 2.467 3.238 . 0 0 "[ . 1 . 2]" 1
704 1 35 ALA MB 1 36 VAL HA . . 4.760 4.063 3.898 4.189 . 0 0 "[ . 1 . 2]" 1
705 1 35 ALA MB 1 37 THR MG . . 3.330 2.477 2.278 2.765 . 0 0 "[ . 1 . 2]" 1
706 1 35 ALA MB 1 48 VAL QG . . 4.010 3.108 2.830 3.416 . 0 0 "[ . 1 . 2]" 1
707 1 35 ALA MB 1 72 THR H . . 4.410 3.326 3.065 3.553 . 0 0 "[ . 1 . 2]" 1
708 1 35 ALA MB 1 72 THR HB . . 3.580 2.632 2.167 3.169 . 0 0 "[ . 1 . 2]" 1
709 1 35 ALA MB 1 72 THR HG1 . . 4.860 4.121 3.762 4.829 . 0 0 "[ . 1 . 2]" 1
710 1 35 ALA MB 1 72 THR MG . . 4.210 3.808 3.471 4.225 0.015 16 0 "[ . 1 . 2]" 1
711 1 35 ALA MB 1 74 TRP HH2 . . 3.390 2.456 2.126 2.682 . 0 0 "[ . 1 . 2]" 1
712 1 35 ALA MB 1 74 TRP HZ3 . . 3.350 2.786 2.498 3.145 . 0 0 "[ . 1 . 2]" 1
713 1 35 ALA MB 1 96 LEU QD . . 3.040 2.215 1.747 2.586 . 0 0 "[ . 1 . 2]" 1
714 1 36 VAL H 1 36 VAL HB . . 3.830 2.531 2.346 2.782 . 0 0 "[ . 1 . 2]" 1
715 1 36 VAL H 1 36 VAL MG1 . . 4.600 3.706 3.600 3.829 . 0 0 "[ . 1 . 2]" 1
716 1 36 VAL H 1 36 VAL MG2 . . 3.720 3.140 2.983 3.285 . 0 0 "[ . 1 . 2]" 1
717 1 36 VAL H 1 37 THR MG . . 4.560 3.015 2.650 3.653 . 0 0 "[ . 1 . 2]" 1
718 1 36 VAL H 1 127 TRP HZ3 . . 4.670 3.361 2.831 4.123 . 0 0 "[ . 1 . 2]" 1
719 1 36 VAL HA 1 36 VAL MG1 . . 3.660 2.535 2.481 2.603 . 0 0 "[ . 1 . 2]" 1
720 1 36 VAL HA 1 36 VAL MG2 . . 3.290 2.259 2.070 2.342 . 0 0 "[ . 1 . 2]" 1
721 1 36 VAL HA 1 37 THR H . . 3.360 2.413 2.292 2.555 . 0 0 "[ . 1 . 2]" 1
722 1 36 VAL HA 1 37 THR MG . . 5.050 3.912 3.635 4.294 . 0 0 "[ . 1 . 2]" 1
723 1 36 VAL HB 1 127 TRP HZ3 . . 4.630 2.454 2.062 2.869 . 0 0 "[ . 1 . 2]" 1
724 1 36 VAL MG1 1 37 THR H . . 3.880 3.694 3.473 3.869 . 0 0 "[ . 1 . 2]" 1
725 1 36 VAL MG1 1 71 HIS HD2 . . 4.960 4.722 4.306 4.965 0.005 5 0 "[ . 1 . 2]" 1
726 1 36 VAL MG1 1 127 TRP HH2 . . 4.700 4.544 4.111 4.735 0.035 1 0 "[ . 1 . 2]" 1
727 1 36 VAL MG2 1 37 THR H . . 4.340 4.269 4.132 4.354 0.014 12 0 "[ . 1 . 2]" 1
728 1 36 VAL MG2 1 71 HIS HA . . 3.920 3.058 2.700 3.332 . 0 0 "[ . 1 . 2]" 1
729 1 36 VAL MG2 1 71 HIS HB2 . . 4.760 3.312 2.133 3.851 . 0 0 "[ . 1 . 2]" 1
730 1 36 VAL MG2 1 71 HIS HB3 . . 4.460 4.446 3.560 4.765 0.305 11 0 "[ . 1 . 2]" 1
731 1 36 VAL MG2 1 71 HIS HD2 . . 3.660 2.355 2.006 2.668 . 0 0 "[ . 1 . 2]" 1
732 1 36 VAL MG2 1 71 HIS HE1 . . 4.670 4.270 3.440 4.622 . 0 0 "[ . 1 . 2]" 1
733 1 36 VAL MG2 1 72 THR H . . 4.650 4.584 4.302 4.679 0.029 20 0 "[ . 1 . 2]" 1
734 1 36 VAL MG2 1 127 TRP HE3 . . 4.450 3.704 3.490 4.110 . 0 0 "[ . 1 . 2]" 1
735 1 36 VAL MG2 1 127 TRP HH2 . . 3.210 1.964 1.786 2.362 . 0 0 "[ . 1 . 2]" 1
736 1 36 VAL MG2 1 127 TRP HZ2 . . 4.460 3.719 3.454 4.201 . 0 0 "[ . 1 . 2]" 1
737 1 36 VAL MG2 1 127 TRP HZ3 . . 4.030 1.985 1.847 2.497 . 0 0 "[ . 1 . 2]" 1
738 1 37 THR H 1 37 THR MG . . 3.780 2.368 2.053 2.648 . 0 0 "[ . 1 . 2]" 1
739 1 37 THR HB 1 38 SER H . . 4.970 3.403 2.032 4.442 . 0 0 "[ . 1 . 2]" 1
740 1 37 THR MG 1 96 LEU QD . . 3.010 2.580 2.028 2.937 . 0 0 "[ . 1 . 2]" 1
741 1 38 SER HA 1 70 LEU QD . . 4.530 2.771 1.870 4.100 . 0 0 "[ . 1 . 2]" 1
742 1 38 SER HB3 1 70 LEU QD . . 4.240 3.168 1.986 4.570 0.330 10 0 "[ . 1 . 2]" 1
743 1 44 CYS H 1 45 ASP H . . 4.980 4.410 4.089 4.646 . 0 0 "[ . 1 . 2]" 1
744 1 44 CYS QB 1 45 ASP H . . 3.620 2.591 1.927 3.207 . 0 0 "[ . 1 . 2]" 1
745 1 44 CYS QB 1 98 THR HB . . 4.380 3.215 2.675 3.795 . 0 0 "[ . 1 . 2]" 1
746 1 44 CYS QB 1 98 THR MG . . 4.470 4.074 3.677 4.434 . 0 0 "[ . 1 . 2]" 1
747 1 44 CYS QB 1 99 CYS H . . 4.430 3.440 2.803 4.351 . 0 0 "[ . 1 . 2]" 1
748 1 45 ASP H 1 45 ASP QB . . 3.850 2.286 2.015 2.773 . 0 0 "[ . 1 . 2]" 1
749 1 45 ASP H 1 99 CYS H . . 4.140 3.708 3.246 4.121 . 0 0 "[ . 1 . 2]" 1
750 1 45 ASP HA 1 46 CYS H . . 3.340 2.305 2.252 2.555 . 0 0 "[ . 1 . 2]" 1
751 1 45 ASP HA 1 65 LEU QD . . 4.640 3.660 2.693 4.124 . 0 0 "[ . 1 . 2]" 1
752 1 45 ASP HA 1 67 LYS HA . . 3.470 3.269 2.795 3.549 0.079 2 0 "[ . 1 . 2]" 1
753 1 45 ASP HA 1 68 ARG H . . 3.670 3.570 3.060 3.723 0.053 13 0 "[ . 1 . 2]" 1
754 1 45 ASP HA 1 99 CYS HB2 . . 4.570 4.779 4.207 4.900 0.330 14 0 "[ . 1 . 2]" 1
755 1 45 ASP HA 1 99 CYS HB3 . . 4.840 4.426 4.016 4.587 . 0 0 "[ . 1 . 2]" 1
756 1 45 ASP QB 1 46 CYS H . . 3.770 3.254 2.345 3.785 0.015 1 0 "[ . 1 . 2]" 1
757 1 45 ASP QB 1 65 LEU HB2 . . 4.230 3.615 3.204 4.308 0.078 14 0 "[ . 1 . 2]" 1
758 1 45 ASP QB 1 65 LEU HB3 . . 3.810 2.187 1.829 3.299 . 0 0 "[ . 1 . 2]" 1
759 1 45 ASP QB 1 65 LEU QD . . 3.070 1.811 1.615 2.037 . 0 0 "[ . 1 . 2]" 1
760 1 45 ASP QB 1 65 LEU HG . . 4.070 2.931 2.416 3.680 . 0 0 "[ . 1 . 2]" 1
761 1 45 ASP QB 1 66 LYS H . . 4.790 3.298 2.376 4.639 . 0 0 "[ . 1 . 2]" 1
762 1 45 ASP QB 1 99 CYS H . . 4.770 3.645 3.135 4.033 . 0 0 "[ . 1 . 2]" 1
763 1 45 ASP QB 1 99 CYS HB3 . . 4.630 2.511 1.904 3.549 . 0 0 "[ . 1 . 2]" 1
764 1 46 CYS H 1 46 CYS HG . . 3.900 2.741 1.949 3.852 . 0 0 "[ . 1 . 2]" 1
765 1 46 CYS H 1 65 LEU QD . . 4.230 3.513 2.596 3.995 . 0 0 "[ . 1 . 2]" 1
766 1 46 CYS H 1 66 LYS H . . 3.800 3.125 2.728 3.687 . 0 0 "[ . 1 . 2]" 1
767 1 46 CYS H 1 67 LYS HA . . 4.620 4.016 3.253 4.329 . 0 0 "[ . 1 . 2]" 1
768 1 46 CYS H 1 68 ARG H . . 4.690 3.781 3.189 4.239 . 0 0 "[ . 1 . 2]" 1
769 1 46 CYS HA 1 47 TYR H . . 3.220 2.408 2.270 2.546 . 0 0 "[ . 1 . 2]" 1
770 1 46 CYS HA 1 47 TYR QD . . 4.050 2.986 2.406 3.342 . 0 0 "[ . 1 . 2]" 1
771 1 46 CYS HA 1 65 LEU QD . . 4.600 3.375 2.753 3.876 . 0 0 "[ . 1 . 2]" 1
772 1 46 CYS HA 1 96 LEU QD . . 4.840 3.834 3.429 4.589 . 0 0 "[ . 1 . 2]" 1
773 1 46 CYS HA 1 98 THR HA . . 3.480 2.438 2.148 2.684 . 0 0 "[ . 1 . 2]" 1
774 1 46 CYS HA 1 98 THR HB . . 4.740 4.438 3.684 4.760 0.020 20 0 "[ . 1 . 2]" 1
775 1 46 CYS HA 1 98 THR MG . . 3.990 3.312 2.813 3.732 . 0 0 "[ . 1 . 2]" 1
776 1 46 CYS HA 1 99 CYS H . . 4.330 3.018 2.524 3.504 . 0 0 "[ . 1 . 2]" 1
777 1 46 CYS QB 1 47 TYR H . . 3.470 2.720 2.365 3.121 . 0 0 "[ . 1 . 2]" 1
778 1 46 CYS QB 1 74 TRP HZ2 . . 4.760 4.508 4.223 4.755 . 0 0 "[ . 1 . 2]" 1
779 1 46 CYS QB 1 96 LEU QD . . 3.620 2.328 1.989 3.228 . 0 0 "[ . 1 . 2]" 1
780 1 46 CYS QB 1 98 THR HA . . 4.090 3.414 2.938 3.983 . 0 0 "[ . 1 . 2]" 1
781 1 46 CYS QB 1 98 THR MG . . 3.240 2.754 2.253 3.153 . 0 0 "[ . 1 . 2]" 1
782 1 46 CYS HG 1 68 ARG H . . 4.790 4.016 3.156 4.793 0.003 19 0 "[ . 1 . 2]" 1
783 1 46 CYS HG 1 68 ARG HA . . 4.120 2.707 1.993 3.749 . 0 0 "[ . 1 . 2]" 1
784 1 46 CYS HG 1 96 LEU QD . . 4.560 4.119 3.237 4.446 . 0 0 "[ . 1 . 2]" 1
785 1 47 TYR H 1 47 TYR QD . . 3.830 2.880 2.422 3.289 . 0 0 "[ . 1 . 2]" 1
786 1 47 TYR H 1 48 VAL H . . 4.870 4.368 4.253 4.420 . 0 0 "[ . 1 . 2]" 1
787 1 47 TYR H 1 65 LEU QD . . 4.960 3.824 3.150 4.589 . 0 0 "[ . 1 . 2]" 1
788 1 47 TYR H 1 74 TRP HZ2 . . 4.710 4.292 3.873 4.671 . 0 0 "[ . 1 . 2]" 1
789 1 47 TYR H 1 96 LEU QD . . 4.050 2.552 2.323 2.936 . 0 0 "[ . 1 . 2]" 1
790 1 47 TYR H 1 96 LEU HG . . 4.780 4.533 4.116 4.810 0.030 10 0 "[ . 1 . 2]" 1
791 1 47 TYR H 1 97 ARG HB2 . . 4.910 4.811 4.447 4.951 0.041 9 0 "[ . 1 . 2]" 1
792 1 47 TYR H 1 98 THR HA . . 4.350 3.721 2.807 4.154 . 0 0 "[ . 1 . 2]" 1
793 1 47 TYR H 1 98 THR MG . . 4.420 4.265 3.396 4.439 0.019 18 0 "[ . 1 . 2]" 1
794 1 47 TYR H 1 99 CYS H . . 5.030 4.786 4.212 5.059 0.029 15 0 "[ . 1 . 2]" 1
795 1 47 TYR HA 1 48 VAL H . . 3.450 2.376 2.280 2.441 . 0 0 "[ . 1 . 2]" 1
796 1 47 TYR HA 1 63 THR H . . 4.850 4.815 4.522 4.883 0.033 9 0 "[ . 1 . 2]" 1
797 1 47 TYR HA 1 74 TRP HE1 . . 3.810 3.178 2.773 3.406 . 0 0 "[ . 1 . 2]" 1
798 1 47 TYR HA 1 74 TRP HZ2 . . 4.090 2.094 1.979 2.497 . 0 0 "[ . 1 . 2]" 1
799 1 47 TYR HB2 1 48 VAL H . . 3.800 2.780 2.608 3.079 . 0 0 "[ . 1 . 2]" 1
800 1 47 TYR HB2 1 63 THR H . . 4.950 3.248 2.995 3.421 . 0 0 "[ . 1 . 2]" 1
801 1 47 TYR HB2 1 63 THR HG1 . . 4.400 3.059 2.608 3.431 . 0 0 "[ . 1 . 2]" 1
802 1 47 TYR HB2 1 65 LEU QD . . 4.450 3.232 2.756 4.113 . 0 0 "[ . 1 . 2]" 1
803 1 47 TYR HB2 1 74 TRP HE1 . . 4.930 4.129 3.782 4.392 . 0 0 "[ . 1 . 2]" 1
804 1 47 TYR HB3 1 48 VAL H . . 4.100 3.958 3.824 4.197 0.097 19 0 "[ . 1 . 2]" 1
805 1 47 TYR HB3 1 63 THR HG1 . . 4.420 4.003 3.540 4.449 0.029 7 0 "[ . 1 . 2]" 1
806 1 47 TYR HB3 1 65 LEU QD . . 3.820 2.238 1.758 3.279 . 0 0 "[ . 1 . 2]" 1
807 1 47 TYR HB3 1 65 LEU HG . . 4.460 3.805 2.141 4.753 0.293 4 0 "[ . 1 . 2]" 1
808 1 47 TYR HB3 1 66 LYS H . . 4.930 3.760 3.285 4.115 . 0 0 "[ . 1 . 2]" 1
809 1 47 TYR HB3 1 74 TRP HE1 . . 4.750 3.966 3.649 4.410 . 0 0 "[ . 1 . 2]" 1
810 1 47 TYR QD 1 48 VAL H . . 4.510 3.765 3.569 4.122 . 0 0 "[ . 1 . 2]" 1
811 1 47 TYR QD 1 62 GLN HA . . 4.670 4.474 3.896 4.696 0.026 5 0 "[ . 1 . 2]" 1
812 1 47 TYR QD 1 62 GLN HB2 . . 3.920 2.759 2.284 3.934 0.014 18 0 "[ . 1 . 2]" 1
813 1 47 TYR QD 1 62 GLN HB3 . . 3.900 3.090 2.216 3.472 . 0 0 "[ . 1 . 2]" 1
814 1 47 TYR QD 1 62 GLN QG . . 4.410 3.863 2.543 4.264 . 0 0 "[ . 1 . 2]" 1
815 1 47 TYR QD 1 63 THR H . . 4.380 3.746 3.268 4.048 . 0 0 "[ . 1 . 2]" 1
816 1 47 TYR QD 1 65 LEU QD . . 3.230 1.869 1.659 2.332 . 0 0 "[ . 1 . 2]" 1
817 1 47 TYR QD 1 65 LEU HG . . 3.920 3.526 2.024 4.210 0.290 19 0 "[ . 1 . 2]" 1
818 1 47 TYR QD 1 96 LEU QD . . 4.310 4.323 4.281 4.407 0.097 17 0 "[ . 1 . 2]" 1
819 1 47 TYR QE 1 49 GLN HB2 . . 4.360 2.882 2.587 3.447 . 0 0 "[ . 1 . 2]" 1
820 1 47 TYR QE 1 49 GLN HB3 . . 4.900 4.179 3.813 4.737 . 0 0 "[ . 1 . 2]" 1
821 1 47 TYR QE 1 62 GLN HB2 . . 4.460 4.230 3.867 4.488 0.028 18 0 "[ . 1 . 2]" 1
822 1 47 TYR QE 1 62 GLN HB3 . . 4.040 3.920 3.506 4.057 0.017 11 0 "[ . 1 . 2]" 1
823 1 47 TYR QE 1 65 LEU QD . . 3.730 2.912 2.484 3.257 . 0 0 "[ . 1 . 2]" 1
824 1 47 TYR QE 1 97 ARG H . . 4.930 3.725 3.325 4.140 . 0 0 "[ . 1 . 2]" 1
825 1 47 TYR QE 1 97 ARG HB2 . . 4.840 2.457 2.007 3.032 . 0 0 "[ . 1 . 2]" 1
826 1 47 TYR QE 1 97 ARG HB3 . . 4.780 3.292 3.022 3.710 . 0 0 "[ . 1 . 2]" 1
827 1 47 TYR QE 1 97 ARG HD2 . . 4.090 4.007 3.459 4.152 0.062 16 0 "[ . 1 . 2]" 1
828 1 47 TYR QE 1 97 ARG HD3 . . 4.070 2.850 2.408 3.730 . 0 0 "[ . 1 . 2]" 1
829 1 47 TYR QE 1 97 ARG QG . . 4.860 4.045 2.191 4.560 . 0 0 "[ . 1 . 2]" 1
830 1 47 TYR QE 1 99 CYS HB2 . . 4.550 3.329 2.889 3.887 . 0 0 "[ . 1 . 2]" 1
831 1 47 TYR QE 1 99 CYS HB3 . . 4.330 4.550 4.348 4.621 0.291 14 0 "[ . 1 . 2]" 1
832 1 48 VAL H 1 48 VAL HB . . 3.460 2.543 2.411 2.628 . 0 0 "[ . 1 . 2]" 1
833 1 48 VAL H 1 48 VAL QG . . 3.690 2.173 1.919 2.379 . 0 0 "[ . 1 . 2]" 1
834 1 48 VAL H 1 49 GLN H . . 4.790 4.589 4.559 4.600 . 0 0 "[ . 1 . 2]" 1
835 1 48 VAL H 1 63 THR H . . 4.010 3.153 2.835 3.377 . 0 0 "[ . 1 . 2]" 1
836 1 48 VAL H 1 63 THR HG1 . . 3.710 2.497 2.037 2.959 . 0 0 "[ . 1 . 2]" 1
837 1 48 VAL H 1 63 THR MG . . 3.710 3.547 3.052 3.725 0.015 2 0 "[ . 1 . 2]" 1
838 1 48 VAL H 1 74 TRP HE1 . . 4.750 3.996 3.591 4.431 . 0 0 "[ . 1 . 2]" 1
839 1 48 VAL H 1 74 TRP HZ2 . . 4.540 3.450 3.163 3.717 . 0 0 "[ . 1 . 2]" 1
840 1 48 VAL HA 1 48 VAL HB . . 2.800 2.996 2.582 3.025 0.225 18 0 "[ . 1 . 2]" 1
841 1 48 VAL HA 1 49 GLN H . . 3.130 2.304 2.231 2.400 . 0 0 "[ . 1 . 2]" 1
842 1 48 VAL HA 1 96 LEU QD . . 4.320 2.849 1.819 3.147 . 0 0 "[ . 1 . 2]" 1
843 1 48 VAL HB 1 49 GLN H . . 3.500 3.883 3.694 4.114 0.614 19 5 "[ * .- 1 . **+2]" 1
844 1 48 VAL HB 1 63 THR H . . 4.800 3.709 3.193 4.881 0.081 19 0 "[ . 1 . 2]" 1
845 1 48 VAL HB 1 63 THR MG . . 3.090 2.534 1.970 3.451 0.361 19 0 "[ . 1 . 2]" 1
846 1 48 VAL QG 1 49 GLN H . . 3.250 2.042 1.902 2.325 . 0 0 "[ . 1 . 2]" 1
847 1 48 VAL QG 1 49 GLN HA . . 3.920 3.741 3.286 3.893 . 0 0 "[ . 1 . 2]" 1
848 1 48 VAL QG 1 49 GLN HB3 . . 4.650 4.427 4.199 4.554 . 0 0 "[ . 1 . 2]" 1
849 1 48 VAL QG 1 63 THR H . . 4.860 4.029 2.550 4.416 . 0 0 "[ . 1 . 2]" 1
850 1 48 VAL QG 1 63 THR HG1 . . 4.850 3.499 2.736 4.083 . 0 0 "[ . 1 . 2]" 1
851 1 48 VAL QG 1 63 THR MG . . 3.510 2.997 1.615 3.281 . 0 0 "[ . 1 . 2]" 1
852 1 48 VAL QG 1 74 TRP HE3 . . 4.730 3.376 3.093 4.001 . 0 0 "[ . 1 . 2]" 1
853 1 48 VAL QG 1 74 TRP HH2 . . 4.020 2.691 2.299 3.721 . 0 0 "[ . 1 . 2]" 1
854 1 48 VAL QG 1 74 TRP HZ2 . . 4.470 3.115 2.548 4.283 . 0 0 "[ . 1 . 2]" 1
855 1 48 VAL QG 1 74 TRP HZ3 . . 4.100 2.858 2.459 3.559 . 0 0 "[ . 1 . 2]" 1
856 1 48 VAL QG 1 95 THR H . . 3.800 3.477 2.840 3.782 . 0 0 "[ . 1 . 2]" 1
857 1 48 VAL QG 1 96 LEU HA . . 4.330 3.620 2.477 3.926 . 0 0 "[ . 1 . 2]" 1
858 1 48 VAL QG 1 96 LEU QD . . 3.110 2.483 1.862 2.772 . 0 0 "[ . 1 . 2]" 1
859 1 49 GLN H 1 49 GLN HB3 . . 3.980 2.774 2.623 2.951 . 0 0 "[ . 1 . 2]" 1
860 1 49 GLN H 1 49 GLN HG3 . . 4.960 4.893 4.775 4.968 0.008 5 0 "[ . 1 . 2]" 1
861 1 49 GLN H 1 50 GLY H . . 5.100 4.269 4.144 4.394 . 0 0 "[ . 1 . 2]" 1
862 1 49 GLN H 1 95 THR H . . 3.980 2.777 2.433 2.990 . 0 0 "[ . 1 . 2]" 1
863 1 49 GLN H 1 95 THR HB . . 4.980 4.567 4.176 4.972 . 0 0 "[ . 1 . 2]" 1
864 1 49 GLN HA 1 49 GLN HG2 . . 3.810 2.674 2.477 2.995 . 0 0 "[ . 1 . 2]" 1
865 1 49 GLN HA 1 49 GLN HG3 . . 4.020 2.895 2.645 3.164 . 0 0 "[ . 1 . 2]" 1
866 1 49 GLN HA 1 50 GLY H . . 3.140 2.230 2.206 2.267 . 0 0 "[ . 1 . 2]" 1
867 1 49 GLN HA 1 50 GLY HA3 . . 4.940 4.364 4.347 4.379 . 0 0 "[ . 1 . 2]" 1
868 1 49 GLN HA 1 61 ALA H . . 4.740 4.306 4.168 4.514 . 0 0 "[ . 1 . 2]" 1
869 1 49 GLN HA 1 62 GLN H . . 4.850 4.556 4.280 4.863 0.013 17 0 "[ . 1 . 2]" 1
870 1 49 GLN HA 1 62 GLN HA . . 3.310 2.223 1.942 2.528 . 0 0 "[ . 1 . 2]" 1
871 1 49 GLN HA 1 62 GLN HB2 . . 4.740 3.544 3.076 4.740 . 0 0 "[ . 1 . 2]" 1
872 1 49 GLN HA 1 62 GLN HB3 . . 3.690 2.499 2.004 3.715 0.025 18 0 "[ . 1 . 2]" 1
873 1 49 GLN HA 1 62 GLN QG . . 4.790 3.853 1.959 4.304 . 0 0 "[ . 1 . 2]" 1
874 1 49 GLN HA 1 63 THR H . . 4.280 4.035 3.828 4.298 0.018 1 0 "[ . 1 . 2]" 1
875 1 49 GLN HA 1 78 LEU QD . . 4.090 2.538 2.116 3.144 . 0 0 "[ . 1 . 2]" 1
876 1 49 GLN HB2 1 50 GLY H . . 4.710 4.300 4.143 4.454 . 0 0 "[ . 1 . 2]" 1
877 1 49 GLN HB2 1 95 THR HB . . 4.580 4.403 3.851 4.601 0.021 19 0 "[ . 1 . 2]" 1
878 1 49 GLN HB2 1 97 ARG HD2 . . 4.580 3.869 3.169 4.619 0.039 4 0 "[ . 1 . 2]" 1
879 1 49 GLN HB2 1 97 ARG HD3 . . 4.380 3.389 2.719 4.275 . 0 0 "[ . 1 . 2]" 1
880 1 49 GLN HB3 1 50 GLY H . . 4.640 4.232 4.102 4.369 . 0 0 "[ . 1 . 2]" 1
881 1 49 GLN HB3 1 95 THR H . . 4.640 3.240 2.754 3.749 . 0 0 "[ . 1 . 2]" 1
882 1 49 GLN HB3 1 95 THR HB . . 4.260 2.888 2.418 3.151 . 0 0 "[ . 1 . 2]" 1
883 1 49 GLN HB3 1 95 THR MG . . 4.690 4.390 4.060 4.560 . 0 0 "[ . 1 . 2]" 1
884 1 49 GLN HB3 1 97 ARG HD2 . . 4.820 3.305 2.293 4.652 . 0 0 "[ . 1 . 2]" 1
885 1 49 GLN HB3 1 97 ARG HD3 . . 4.510 3.442 2.663 4.388 . 0 0 "[ . 1 . 2]" 1
886 1 49 GLN HE21 1 60 GLU QB . . 4.360 2.819 1.971 3.770 . 0 0 "[ . 1 . 2]" 1
887 1 49 GLN HE21 1 60 GLU HG2 . . 4.930 2.895 2.310 3.767 . 0 0 "[ . 1 . 2]" 1
888 1 49 GLN HE21 1 60 GLU HG3 . . 4.630 4.342 3.949 4.576 . 0 0 "[ . 1 . 2]" 1
889 1 49 GLN HE22 1 60 GLU QB . . 4.640 3.846 3.166 4.445 . 0 0 "[ . 1 . 2]" 1
890 1 49 GLN HE22 1 60 GLU HG3 . . 5.060 4.846 4.328 5.082 0.022 18 0 "[ . 1 . 2]" 1
891 1 49 GLN HG2 1 50 GLY H . . 3.760 2.539 2.167 2.849 . 0 0 "[ . 1 . 2]" 1
892 1 49 GLN HG2 1 60 GLU QB . . 4.010 3.770 3.380 4.126 0.116 18 0 "[ . 1 . 2]" 1
893 1 49 GLN HG2 1 61 ALA H . . 4.540 3.072 2.655 3.496 . 0 0 "[ . 1 . 2]" 1
894 1 49 GLN HG2 1 62 GLN HA . . 4.510 4.358 4.048 4.688 0.178 18 0 "[ . 1 . 2]" 1
895 1 49 GLN HG3 1 50 GLY H . . 3.730 3.651 2.996 3.785 0.055 8 0 "[ . 1 . 2]" 1
896 1 49 GLN HG3 1 61 ALA H . . 4.620 3.787 2.983 4.367 . 0 0 "[ . 1 . 2]" 1
897 1 49 GLN HG3 1 62 GLN HA . . 4.680 4.168 3.676 4.524 . 0 0 "[ . 1 . 2]" 1
898 1 50 GLY H 1 51 SER H . . 4.650 4.378 4.186 4.510 . 0 0 "[ . 1 . 2]" 1
899 1 50 GLY H 1 60 GLU HA . . 4.830 4.685 4.540 4.861 0.031 13 0 "[ . 1 . 2]" 1
900 1 50 GLY H 1 61 ALA H . . 3.820 2.811 2.624 3.049 . 0 0 "[ . 1 . 2]" 1
901 1 50 GLY H 1 61 ALA MB . . 4.300 3.468 3.191 3.847 . 0 0 "[ . 1 . 2]" 1
902 1 50 GLY H 1 62 GLN HA . . 3.910 3.177 2.942 3.439 . 0 0 "[ . 1 . 2]" 1
903 1 50 GLY H 1 78 LEU QD . . 3.620 2.154 1.736 2.764 . 0 0 "[ . 1 . 2]" 1
904 1 50 GLY H 1 80 LEU QD . . 4.680 3.641 3.345 3.914 . 0 0 "[ . 1 . 2]" 1
905 1 50 GLY HA2 1 51 SER H . . 3.520 2.218 2.199 2.289 . 0 0 "[ . 1 . 2]" 1
906 1 50 GLY HA2 1 51 SER HA . . 4.850 4.363 4.353 4.402 . 0 0 "[ . 1 . 2]" 1
907 1 50 GLY HA2 1 78 LEU QD . . 3.840 3.154 2.904 3.574 . 0 0 "[ . 1 . 2]" 1
908 1 50 GLY HA2 1 80 LEU QD . . 4.370 3.652 3.403 3.920 . 0 0 "[ . 1 . 2]" 1
909 1 50 GLY HA2 1 92 LEU QD . . 3.820 2.694 2.371 2.975 . 0 0 "[ . 1 . 2]" 1
910 1 50 GLY HA2 1 94 LEU HA . . 3.850 2.368 2.138 2.559 . 0 0 "[ . 1 . 2]" 1
911 1 50 GLY HA2 1 94 LEU QD . . 3.370 2.172 1.944 2.747 . 0 0 "[ . 1 . 2]" 1
912 1 50 GLY HA3 1 51 SER H . . 3.630 3.264 3.034 3.426 . 0 0 "[ . 1 . 2]" 1
913 1 50 GLY HA3 1 78 LEU QD . . 3.470 2.195 1.828 2.575 . 0 0 "[ . 1 . 2]" 1
914 1 50 GLY HA3 1 80 LEU QD . . 3.460 2.632 2.295 2.997 . 0 0 "[ . 1 . 2]" 1
915 1 50 GLY HA3 1 92 LEU QD . . 3.790 2.733 2.480 3.023 . 0 0 "[ . 1 . 2]" 1
916 1 50 GLY HA3 1 94 LEU HA . . 4.000 3.904 3.441 4.042 0.042 14 0 "[ . 1 . 2]" 1
917 1 50 GLY HA3 1 94 LEU QD . . 3.460 2.613 2.078 3.224 . 0 0 "[ . 1 . 2]" 1
918 1 51 SER H 1 51 SER QB . . 3.650 2.776 2.366 3.247 . 0 0 "[ . 1 . 2]" 1
919 1 51 SER H 1 52 VAL H . . 4.750 4.441 4.306 4.526 . 0 0 "[ . 1 . 2]" 1
920 1 51 SER H 1 52 VAL QG . . 4.960 4.403 4.026 4.670 . 0 0 "[ . 1 . 2]" 1
921 1 51 SER H 1 80 LEU QD . . 4.570 3.605 3.134 4.084 . 0 0 "[ . 1 . 2]" 1
922 1 51 SER H 1 92 LEU HA . . 4.790 4.468 4.109 4.807 0.017 15 0 "[ . 1 . 2]" 1
923 1 51 SER H 1 92 LEU QD . . 3.360 2.414 1.935 2.720 . 0 0 "[ . 1 . 2]" 1
924 1 51 SER H 1 93 THR H . . 4.060 2.908 2.463 3.318 . 0 0 "[ . 1 . 2]" 1
925 1 51 SER H 1 93 THR HB . . 4.310 3.928 3.558 4.333 0.023 13 0 "[ . 1 . 2]" 1
926 1 51 SER H 1 93 THR MG . . 4.900 4.310 4.053 4.813 . 0 0 "[ . 1 . 2]" 1
927 1 51 SER H 1 94 LEU HA . . 4.530 3.426 3.181 3.784 . 0 0 "[ . 1 . 2]" 1
928 1 51 SER H 1 94 LEU QD . . 4.060 3.437 2.859 4.002 . 0 0 "[ . 1 . 2]" 1
929 1 51 SER HA 1 52 VAL H . . 2.990 2.304 2.235 2.386 . 0 0 "[ . 1 . 2]" 1
930 1 51 SER HA 1 52 VAL HA . . 5.010 4.429 4.408 4.471 . 0 0 "[ . 1 . 2]" 1
931 1 51 SER HA 1 52 VAL HB . . 4.320 4.060 3.987 4.152 . 0 0 "[ . 1 . 2]" 1
932 1 51 SER HA 1 52 VAL QG . . 4.360 4.168 4.142 4.201 . 0 0 "[ . 1 . 2]" 1
933 1 51 SER HA 1 59 VAL H . . 4.590 4.459 4.265 4.619 0.029 6 0 "[ . 1 . 2]" 1
934 1 51 SER HA 1 59 VAL HB . . 5.300 5.084 4.702 5.336 0.036 4 0 "[ . 1 . 2]" 1
935 1 51 SER HA 1 59 VAL MG2 . . 4.440 3.961 3.482 4.492 0.052 4 0 "[ . 1 . 2]" 1
936 1 51 SER HA 1 60 GLU H . . 4.910 4.534 4.315 4.717 . 0 0 "[ . 1 . 2]" 1
937 1 51 SER HA 1 60 GLU HA . . 3.140 2.063 1.971 2.192 . 0 0 "[ . 1 . 2]" 1
938 1 51 SER HA 1 60 GLU QB . . 4.070 3.888 3.660 4.090 0.020 13 0 "[ . 1 . 2]" 1
939 1 51 SER HA 1 60 GLU HG2 . . 4.080 2.557 2.317 3.015 . 0 0 "[ . 1 . 2]" 1
940 1 51 SER HA 1 60 GLU HG3 . . 4.130 3.472 2.761 4.062 . 0 0 "[ . 1 . 2]" 1
941 1 51 SER HA 1 61 ALA H . . 4.120 3.613 3.409 3.838 . 0 0 "[ . 1 . 2]" 1
942 1 51 SER HA 1 61 ALA MB . . 4.970 4.808 4.516 4.989 0.019 10 0 "[ . 1 . 2]" 1
943 1 51 SER HA 1 80 LEU QD . . 3.660 2.857 2.275 3.336 . 0 0 "[ . 1 . 2]" 1
944 1 51 SER HA 1 92 LEU QD . . 4.500 3.781 3.559 3.949 . 0 0 "[ . 1 . 2]" 1
945 1 51 SER QB 1 52 VAL H . . 4.080 3.309 2.861 3.670 . 0 0 "[ . 1 . 2]" 1
946 1 51 SER QB 1 60 GLU HA . . 4.180 3.410 3.062 3.794 . 0 0 "[ . 1 . 2]" 1
947 1 51 SER QB 1 60 GLU QB . . 4.060 3.822 3.451 3.974 . 0 0 "[ . 1 . 2]" 1
948 1 51 SER QB 1 60 GLU HG2 . . 3.870 2.017 1.897 2.248 . 0 0 "[ . 1 . 2]" 1
949 1 51 SER QB 1 60 GLU HG3 . . 4.030 3.269 2.432 3.628 . 0 0 "[ . 1 . 2]" 1
950 1 51 SER QB 1 92 LEU QD . . 4.750 4.022 3.797 4.209 . 0 0 "[ . 1 . 2]" 1
951 1 51 SER QB 1 93 THR H . . 4.450 3.814 3.507 4.185 . 0 0 "[ . 1 . 2]" 1
952 1 51 SER QB 1 93 THR HB . . 3.780 3.335 2.501 3.674 . 0 0 "[ . 1 . 2]" 1
953 1 51 SER QB 1 93 THR MG . . 4.490 3.932 2.933 4.309 . 0 0 "[ . 1 . 2]" 1
954 1 52 VAL H 1 52 VAL HB . . 3.490 2.460 2.366 2.613 . 0 0 "[ . 1 . 2]" 1
955 1 52 VAL H 1 52 VAL QG . . 3.580 3.050 3.020 3.108 . 0 0 "[ . 1 . 2]" 1
956 1 52 VAL H 1 53 ALA H . . 4.930 4.438 4.353 4.496 . 0 0 "[ . 1 . 2]" 1
957 1 52 VAL H 1 58 SER HA . . 4.760 4.575 4.424 4.719 . 0 0 "[ . 1 . 2]" 1
958 1 52 VAL H 1 58 SER QB . . 4.430 4.026 3.674 4.529 0.099 11 0 "[ . 1 . 2]" 1
959 1 52 VAL H 1 59 VAL H . . 3.550 2.551 2.327 2.759 . 0 0 "[ . 1 . 2]" 1
960 1 52 VAL H 1 59 VAL HB . . 4.770 4.308 4.026 4.604 . 0 0 "[ . 1 . 2]" 1
961 1 52 VAL H 1 59 VAL MG2 . . 3.750 2.560 2.254 3.164 . 0 0 "[ . 1 . 2]" 1
962 1 52 VAL H 1 60 GLU HA . . 4.050 3.472 3.290 3.669 . 0 0 "[ . 1 . 2]" 1
963 1 52 VAL H 1 60 GLU QB . . 4.980 5.069 4.890 5.192 0.212 12 0 "[ . 1 . 2]" 1
964 1 52 VAL H 1 60 GLU HG2 . . 4.400 3.945 3.515 4.407 0.007 12 0 "[ . 1 . 2]" 1
965 1 52 VAL H 1 60 GLU HG3 . . 4.520 3.951 3.201 4.397 . 0 0 "[ . 1 . 2]" 1
966 1 52 VAL H 1 80 LEU QD . . 3.840 3.304 2.421 3.638 . 0 0 "[ . 1 . 2]" 1
967 1 52 VAL H 1 92 LEU QD . . 4.780 4.059 3.798 4.347 . 0 0 "[ . 1 . 2]" 1
968 1 52 VAL HA 1 52 VAL QG . . 3.060 2.067 1.985 2.113 . 0 0 "[ . 1 . 2]" 1
969 1 52 VAL HA 1 53 ALA H . . 2.940 2.329 2.199 2.477 . 0 0 "[ . 1 . 2]" 1
970 1 52 VAL HA 1 53 ALA MB . . 4.060 3.833 3.715 3.913 . 0 0 "[ . 1 . 2]" 1
971 1 52 VAL HA 1 59 VAL MG2 . . 4.730 3.918 3.752 4.243 . 0 0 "[ . 1 . 2]" 1
972 1 52 VAL HA 1 92 LEU HA . . 3.320 2.470 2.134 2.771 . 0 0 "[ . 1 . 2]" 1
973 1 52 VAL HA 1 92 LEU QD . . 3.740 3.208 2.977 3.454 . 0 0 "[ . 1 . 2]" 1
974 1 52 VAL HA 1 93 THR H . . 4.150 3.495 3.179 3.815 . 0 0 "[ . 1 . 2]" 1
975 1 52 VAL HB 1 53 ALA H . . 4.420 4.265 4.040 4.499 0.079 6 0 "[ . 1 . 2]" 1
976 1 52 VAL HB 1 59 VAL H . . 4.290 3.554 3.204 3.762 . 0 0 "[ . 1 . 2]" 1
977 1 52 VAL HB 1 59 VAL HB . . 4.180 4.133 3.757 4.239 0.059 17 0 "[ . 1 . 2]" 1
978 1 52 VAL HB 1 59 VAL MG2 . . 3.070 1.825 1.756 1.889 . 0 0 "[ . 1 . 2]" 1
979 1 52 VAL HB 1 80 LEU HB2 . . 4.880 3.070 2.510 3.325 . 0 0 "[ . 1 . 2]" 1
980 1 52 VAL HB 1 80 LEU HB3 . . 4.990 2.434 2.029 3.015 . 0 0 "[ . 1 . 2]" 1
981 1 52 VAL HB 1 80 LEU QD . . 3.640 2.934 2.296 3.370 . 0 0 "[ . 1 . 2]" 1
982 1 52 VAL HB 1 80 LEU HG . . 4.840 3.141 1.967 4.886 0.046 19 0 "[ . 1 . 2]" 1
983 1 52 VAL HB 1 92 LEU HA . . 4.720 4.481 4.274 4.714 . 0 0 "[ . 1 . 2]" 1
984 1 52 VAL QG 1 53 ALA H . . 3.280 2.316 1.915 2.765 . 0 0 "[ . 1 . 2]" 1
985 1 52 VAL QG 1 53 ALA MB . . 4.090 3.718 3.542 3.927 . 0 0 "[ . 1 . 2]" 1
986 1 52 VAL QG 1 54 ASN H . . 4.800 3.324 2.956 3.581 . 0 0 "[ . 1 . 2]" 1
987 1 52 VAL QG 1 54 ASN HA . . 4.750 3.953 3.457 4.070 . 0 0 "[ . 1 . 2]" 1
988 1 52 VAL QG 1 54 ASN HB2 . . 4.740 4.636 4.114 4.768 0.028 11 0 "[ . 1 . 2]" 1
989 1 52 VAL QG 1 54 ASN HB3 . . 4.060 3.678 3.542 4.195 0.135 11 0 "[ . 1 . 2]" 1
990 1 52 VAL QG 1 54 ASN HD21 . . 4.360 2.928 2.073 4.028 . 0 0 "[ . 1 . 2]" 1
991 1 52 VAL QG 1 54 ASN HD22 . . 4.480 2.760 1.775 3.551 . 0 0 "[ . 1 . 2]" 1
992 1 52 VAL QG 1 58 SER HA . . 4.140 3.192 2.988 3.556 . 0 0 "[ . 1 . 2]" 1
993 1 52 VAL QG 1 59 VAL H . . 4.060 2.871 2.580 3.032 . 0 0 "[ . 1 . 2]" 1
994 1 52 VAL QG 1 59 VAL HA . . 4.880 4.814 4.711 4.883 0.003 13 0 "[ . 1 . 2]" 1
995 1 52 VAL QG 1 59 VAL MG2 . . 2.960 1.823 1.736 1.918 . 0 0 "[ . 1 . 2]" 1
996 1 52 VAL QG 1 80 LEU HB2 . . 3.520 2.572 2.250 2.853 . 0 0 "[ . 1 . 2]" 1
997 1 52 VAL QG 1 80 LEU HB3 . . 3.420 2.762 2.203 3.226 . 0 0 "[ . 1 . 2]" 1
998 1 52 VAL QG 1 90 ALA MB . . 2.790 2.594 2.418 2.731 . 0 0 "[ . 1 . 2]" 1
999 1 52 VAL QG 1 91 THR H . . 3.830 3.241 2.927 3.560 . 0 0 "[ . 1 . 2]" 1
1000 1 52 VAL QG 1 92 LEU H . . 4.640 3.783 3.576 4.003 . 0 0 "[ . 1 . 2]" 1
1001 1 52 VAL QG 1 92 LEU HA . . 3.320 2.130 1.917 2.423 . 0 0 "[ . 1 . 2]" 1
1002 1 52 VAL QG 1 92 LEU QD . . 2.460 1.978 1.907 2.332 . 0 0 "[ . 1 . 2]" 1
1003 1 52 VAL QG 1 93 THR H . . 4.060 3.555 3.261 3.850 . 0 0 "[ . 1 . 2]" 1
1004 1 53 ALA H 1 53 ALA MB . . 2.880 2.438 2.284 2.548 . 0 0 "[ . 1 . 2]" 1
1005 1 53 ALA H 1 58 SER HA . . 4.820 4.557 4.412 4.694 . 0 0 "[ . 1 . 2]" 1
1006 1 53 ALA H 1 90 ALA MB . . 4.430 3.554 3.265 3.765 . 0 0 "[ . 1 . 2]" 1
1007 1 53 ALA H 1 91 THR H . . 3.800 2.473 2.377 2.572 . 0 0 "[ . 1 . 2]" 1
1008 1 53 ALA H 1 91 THR HB . . 4.620 4.202 3.737 4.596 . 0 0 "[ . 1 . 2]" 1
1009 1 53 ALA H 1 92 LEU HA . . 4.380 4.106 3.776 4.349 . 0 0 "[ . 1 . 2]" 1
1010 1 53 ALA H 1 92 LEU QD . . 5.500 5.026 4.824 5.287 . 0 0 "[ . 1 . 2]" 1
1011 1 53 ALA HA 1 54 ASN H . . 2.790 2.199 2.186 2.247 . 0 0 "[ . 1 . 2]" 1
1012 1 53 ALA HA 1 57 GLY H . . 4.790 4.818 4.715 4.858 0.068 4 0 "[ . 1 . 2]" 1
1013 1 53 ALA HA 1 58 SER H . . 4.890 4.689 4.548 4.885 . 0 0 "[ . 1 . 2]" 1
1014 1 53 ALA HA 1 58 SER HA . . 3.310 2.148 2.008 2.389 . 0 0 "[ . 1 . 2]" 1
1015 1 53 ALA HA 1 58 SER QB . . 3.580 2.438 2.084 2.770 . 0 0 "[ . 1 . 2]" 1
1016 1 53 ALA HA 1 59 VAL H . . 4.190 3.638 3.385 3.832 . 0 0 "[ . 1 . 2]" 1
1017 1 53 ALA HA 1 90 ALA MB . . 4.910 4.924 4.855 4.967 0.057 14 0 "[ . 1 . 2]" 1
1018 1 53 ALA MB 1 58 SER HA . . 3.880 3.730 3.583 3.928 0.048 19 0 "[ . 1 . 2]" 1
1019 1 53 ALA MB 1 58 SER QB . . 3.690 2.744 2.500 3.150 . 0 0 "[ . 1 . 2]" 1
1020 1 53 ALA MB 1 59 VAL H . . 4.890 4.600 4.428 4.831 . 0 0 "[ . 1 . 2]" 1
1021 1 53 ALA MB 1 91 THR H . . 3.700 3.300 3.086 3.630 . 0 0 "[ . 1 . 2]" 1
1022 1 53 ALA MB 1 91 THR HB . . 3.600 3.646 3.609 3.687 0.087 5 0 "[ . 1 . 2]" 1
1023 1 54 ASN H 1 54 ASN HB3 . . 4.160 3.437 3.316 3.673 . 0 0 "[ . 1 . 2]" 1
1024 1 54 ASN H 1 56 THR H . . 4.910 4.071 3.772 4.992 0.082 11 0 "[ . 1 . 2]" 1
1025 1 54 ASN H 1 57 GLY H . . 3.710 3.029 2.907 3.307 . 0 0 "[ . 1 . 2]" 1
1026 1 54 ASN H 1 58 SER HA . . 3.630 2.624 2.420 2.841 . 0 0 "[ . 1 . 2]" 1
1027 1 54 ASN H 1 58 SER QB . . 4.290 3.745 3.470 4.156 . 0 0 "[ . 1 . 2]" 1
1028 1 54 ASN HA 1 55 ARG HA . . 4.560 4.306 4.288 4.328 . 0 0 "[ . 1 . 2]" 1
1029 1 54 ASN HA 1 56 THR H . . 4.560 4.049 3.932 4.695 0.135 11 0 "[ . 1 . 2]" 1
1030 1 54 ASN HA 1 82 LEU QD . . 4.400 3.325 2.903 3.896 . 0 0 "[ . 1 . 2]" 1
1031 1 54 ASN HA 1 90 ALA MB . . 3.840 2.449 1.944 2.690 . 0 0 "[ . 1 . 2]" 1
1032 1 54 ASN HB2 1 55 ARG H . . 4.020 2.453 2.023 3.284 . 0 0 "[ . 1 . 2]" 1
1033 1 54 ASN HB2 1 56 THR H . . 4.900 2.121 1.919 2.692 . 0 0 "[ . 1 . 2]" 1
1034 1 54 ASN HB2 1 82 LEU QD . . 4.280 3.242 2.955 3.964 . 0 0 "[ . 1 . 2]" 1
1035 1 54 ASN HB2 1 86 GLU HB3 . . 4.630 3.427 2.856 4.034 . 0 0 "[ . 1 . 2]" 1
1036 1 54 ASN HB2 1 86 GLU HG3 . . 4.450 4.427 4.148 4.640 0.190 11 0 "[ . 1 . 2]" 1
1037 1 54 ASN HB2 1 90 ALA MB . . 4.570 3.945 3.521 4.271 . 0 0 "[ . 1 . 2]" 1
1038 1 54 ASN HB3 1 55 ARG H . . 4.500 3.171 2.475 3.476 . 0 0 "[ . 1 . 2]" 1
1039 1 54 ASN HB3 1 56 THR H . . 4.910 3.734 3.131 4.028 . 0 0 "[ . 1 . 2]" 1
1040 1 54 ASN HB3 1 82 LEU QD . . 3.980 2.082 1.825 2.551 . 0 0 "[ . 1 . 2]" 1
1041 1 54 ASN HB3 1 86 GLU HB2 . . 5.030 3.204 2.622 3.482 . 0 0 "[ . 1 . 2]" 1
1042 1 54 ASN HB3 1 86 GLU HB3 . . 5.010 2.976 2.118 3.429 . 0 0 "[ . 1 . 2]" 1
1043 1 54 ASN HB3 1 86 GLU HG3 . . 4.570 4.474 3.566 4.644 0.074 19 0 "[ . 1 . 2]" 1
1044 1 54 ASN HB3 1 90 ALA MB . . 4.400 2.704 2.217 3.176 . 0 0 "[ . 1 . 2]" 1
1045 1 54 ASN HD21 1 59 VAL MG1 . . 4.530 4.306 3.787 4.775 0.245 11 0 "[ . 1 . 2]" 1
1046 1 54 ASN HD21 1 59 VAL MG2 . . 4.280 3.742 2.847 4.297 0.017 15 0 "[ . 1 . 2]" 1
1047 1 54 ASN HD21 1 82 LEU QD . . 4.140 2.474 1.945 4.061 . 0 0 "[ . 1 . 2]" 1
1048 1 54 ASN HD22 1 59 VAL MG1 . . 4.440 3.030 2.592 3.548 . 0 0 "[ . 1 . 2]" 1
1049 1 54 ASN HD22 1 59 VAL MG2 . . 4.300 2.789 1.924 3.531 . 0 0 "[ . 1 . 2]" 1
1050 1 54 ASN HD22 1 82 LEU QD . . 4.200 3.632 3.238 4.052 . 0 0 "[ . 1 . 2]" 1
1051 1 55 ARG H 1 55 ARG HB2 . . 4.160 2.094 2.024 2.272 . 0 0 "[ . 1 . 2]" 1
1052 1 55 ARG H 1 55 ARG QG . . 4.620 3.296 2.572 3.815 . 0 0 "[ . 1 . 2]" 1
1053 1 55 ARG H 1 56 THR H . . 4.230 2.690 2.536 3.176 . 0 0 "[ . 1 . 2]" 1
1054 1 55 ARG HA 1 55 ARG HD2 . . 4.520 4.271 2.380 4.610 0.090 14 0 "[ . 1 . 2]" 1
1055 1 55 ARG HA 1 55 ARG HD3 . . 4.590 4.361 3.530 4.601 0.011 11 0 "[ . 1 . 2]" 1
1056 1 55 ARG HA 1 55 ARG QG . . 3.370 2.202 2.139 2.333 . 0 0 "[ . 1 . 2]" 1
1057 1 55 ARG HA 1 56 THR MG . . 4.630 4.473 3.913 4.650 0.020 14 0 "[ . 1 . 2]" 1
1058 1 55 ARG HA 1 57 GLY H . . 4.750 4.135 3.911 4.541 . 0 0 "[ . 1 . 2]" 1
1059 1 55 ARG HB2 1 55 ARG HD2 . . 3.680 2.920 2.354 3.778 0.098 17 0 "[ . 1 . 2]" 1
1060 1 55 ARG HB2 1 55 ARG HD3 . . 3.940 2.685 2.322 3.592 . 0 0 "[ . 1 . 2]" 1
1061 1 55 ARG HB2 1 56 THR H . . 4.170 3.663 3.243 4.044 . 0 0 "[ . 1 . 2]" 1
1062 1 55 ARG HB2 1 56 THR MG . . 4.350 3.590 3.032 4.345 . 0 0 "[ . 1 . 2]" 1
1063 1 55 ARG HB3 1 55 ARG HD2 . . 3.540 3.466 2.516 3.873 0.333 8 0 "[ . 1 . 2]" 1
1064 1 55 ARG HB3 1 55 ARG HD3 . . 3.770 2.751 2.317 3.659 . 0 0 "[ . 1 . 2]" 1
1065 1 55 ARG HB3 1 56 THR H . . 4.340 3.711 2.322 4.080 . 0 0 "[ . 1 . 2]" 1
1066 1 55 ARG HB3 1 56 THR MG . . 3.730 3.319 3.035 3.723 . 0 0 "[ . 1 . 2]" 1
1067 1 55 ARG HD2 1 89 THR MG . . 4.360 3.309 2.653 4.540 0.180 15 0 "[ . 1 . 2]" 1
1068 1 55 ARG HD3 1 89 THR MG . . 4.520 3.916 3.211 4.516 . 0 0 "[ . 1 . 2]" 1
1069 1 55 ARG QG 1 89 THR MG . . 4.490 4.156 3.154 4.338 . 0 0 "[ . 1 . 2]" 1
1070 1 56 THR H 1 56 THR HB . . 4.160 3.596 3.518 3.743 . 0 0 "[ . 1 . 2]" 1
1071 1 56 THR H 1 56 THR MG . . 3.650 2.362 2.000 3.099 . 0 0 "[ . 1 . 2]" 1
1072 1 56 THR H 1 57 GLY H . . 3.050 2.152 1.898 2.453 . 0 0 "[ . 1 . 2]" 1
1073 1 56 THR HA 1 56 THR HB . . 2.840 2.496 2.386 2.620 . 0 0 "[ . 1 . 2]" 1
1074 1 56 THR HA 1 56 THR MG . . 2.830 2.521 2.329 2.625 . 0 0 "[ . 1 . 2]" 1
1075 1 56 THR HB 1 57 GLY H . . 4.320 4.101 3.747 4.472 0.152 11 0 "[ . 1 . 2]" 1
1076 1 56 THR MG 1 57 GLY H . . 4.270 3.924 3.652 4.333 0.063 11 0 "[ . 1 . 2]" 1
1077 1 57 GLY H 1 58 SER H . . 4.480 4.081 3.941 4.455 . 0 0 "[ . 1 . 2]" 1
1078 1 57 GLY HA2 1 58 SER H . . 3.150 3.213 2.563 3.322 0.172 17 0 "[ . 1 . 2]" 1
1079 1 57 GLY HA2 1 58 SER HA . . 4.910 4.661 4.516 4.745 . 0 0 "[ . 1 . 2]" 1
1080 1 57 GLY HA3 1 58 SER H . . 3.310 2.235 2.199 2.678 . 0 0 "[ . 1 . 2]" 1
1081 1 58 SER H 1 58 SER QB . . 3.640 3.304 3.141 3.411 . 0 0 "[ . 1 . 2]" 1
1082 1 58 SER HA 1 59 VAL H . . 2.950 2.425 2.309 2.531 . 0 0 "[ . 1 . 2]" 1
1083 1 58 SER HA 1 59 VAL MG1 . . 4.320 3.953 3.704 4.262 . 0 0 "[ . 1 . 2]" 1
1084 1 58 SER HA 1 59 VAL MG2 . . 3.850 3.226 2.999 3.354 . 0 0 "[ . 1 . 2]" 1
1085 1 58 SER QB 1 59 VAL H . . 3.190 2.626 2.382 2.931 . 0 0 "[ . 1 . 2]" 1
1086 1 58 SER QB 1 59 VAL MG2 . . 4.220 4.048 3.881 4.243 0.023 11 0 "[ . 1 . 2]" 1
1087 1 59 VAL H 1 59 VAL HB . . 3.770 3.692 3.560 3.766 . 0 0 "[ . 1 . 2]" 1
1088 1 59 VAL H 1 59 VAL MG1 . . 3.500 3.329 3.223 3.499 . 0 0 "[ . 1 . 2]" 1
1089 1 59 VAL H 1 59 VAL MG2 . . 3.140 1.947 1.887 2.163 . 0 0 "[ . 1 . 2]" 1
1090 1 59 VAL H 1 80 LEU QD . . 4.640 4.241 3.814 4.477 . 0 0 "[ . 1 . 2]" 1
1091 1 59 VAL HA 1 59 VAL MG1 . . 3.070 2.142 2.008 2.256 . 0 0 "[ . 1 . 2]" 1
1092 1 59 VAL HA 1 59 VAL MG2 . . 3.380 3.182 3.152 3.202 . 0 0 "[ . 1 . 2]" 1
1093 1 59 VAL HA 1 60 GLU H . . 2.670 2.513 2.350 2.731 0.061 19 0 "[ . 1 . 2]" 1
1094 1 59 VAL HA 1 60 GLU HA . . 4.610 4.489 4.397 4.580 . 0 0 "[ . 1 . 2]" 1
1095 1 59 VAL HA 1 60 GLU QB . . 4.270 4.117 4.027 4.247 . 0 0 "[ . 1 . 2]" 1
1096 1 59 VAL HA 1 60 GLU HG3 . . 4.140 3.881 3.517 4.144 0.004 18 0 "[ . 1 . 2]" 1
1097 1 59 VAL HA 1 80 LEU QD . . 4.390 3.962 3.672 4.186 . 0 0 "[ . 1 . 2]" 1
1098 1 59 VAL HB 1 60 GLU H . . 3.460 2.424 1.981 2.852 . 0 0 "[ . 1 . 2]" 1
1099 1 59 VAL HB 1 80 LEU HA . . 4.810 3.429 3.040 3.862 . 0 0 "[ . 1 . 2]" 1
1100 1 59 VAL HB 1 80 LEU HB3 . . 5.010 3.167 2.264 3.944 . 0 0 "[ . 1 . 2]" 1
1101 1 59 VAL HB 1 80 LEU QD . . 3.560 2.087 1.945 2.408 . 0 0 "[ . 1 . 2]" 1
1102 1 59 VAL HB 1 81 PRO HD2 . . 4.040 2.153 1.969 2.421 . 0 0 "[ . 1 . 2]" 1
1103 1 59 VAL HB 1 81 PRO HD3 . . 4.540 3.212 3.047 3.461 . 0 0 "[ . 1 . 2]" 1
1104 1 59 VAL MG1 1 60 GLU H . . 3.390 3.459 3.329 3.536 0.146 2 0 "[ . 1 . 2]" 1
1105 1 59 VAL MG1 1 80 LEU HA . . 3.920 3.976 3.799 4.086 0.166 7 0 "[ . 1 . 2]" 1
1106 1 59 VAL MG1 1 81 PRO HB2 . . 4.410 3.484 3.360 3.561 . 0 0 "[ . 1 . 2]" 1
1107 1 59 VAL MG1 1 81 PRO HB3 . . 4.120 4.184 4.153 4.259 0.139 4 0 "[ . 1 . 2]" 1
1108 1 59 VAL MG1 1 81 PRO HD2 . . 3.320 1.992 1.916 2.049 . 0 0 "[ . 1 . 2]" 1
1109 1 59 VAL MG1 1 81 PRO HD3 . . 3.610 2.978 2.836 3.127 . 0 0 "[ . 1 . 2]" 1
1110 1 59 VAL MG1 1 81 PRO HG2 . . 3.360 1.790 1.757 1.861 . 0 0 "[ . 1 . 2]" 1
1111 1 59 VAL MG1 1 81 PRO HG3 . . 3.640 2.767 2.679 2.883 . 0 0 "[ . 1 . 2]" 1
1112 1 59 VAL MG1 1 82 LEU HA . . 5.000 5.043 4.726 5.155 0.155 10 0 "[ . 1 . 2]" 1
1113 1 59 VAL MG2 1 60 GLU HA . . 4.340 4.046 3.760 4.384 0.044 6 0 "[ . 1 . 2]" 1
1114 1 59 VAL MG2 1 80 LEU HA . . 3.820 3.229 2.678 3.611 . 0 0 "[ . 1 . 2]" 1
1115 1 59 VAL MG2 1 80 LEU HB2 . . 3.990 3.073 2.731 3.319 . 0 0 "[ . 1 . 2]" 1
1116 1 59 VAL MG2 1 80 LEU HB3 . . 3.990 1.818 1.722 1.908 . 0 0 "[ . 1 . 2]" 1
1117 1 59 VAL MG2 1 80 LEU QD . . 2.820 2.366 1.991 2.755 . 0 0 "[ . 1 . 2]" 1
1118 1 59 VAL MG2 1 81 PRO HB2 . . 4.770 4.382 3.963 4.567 . 0 0 "[ . 1 . 2]" 1
1119 1 59 VAL MG2 1 81 PRO HD2 . . 3.210 1.974 1.900 2.312 . 0 0 "[ . 1 . 2]" 1
1120 1 59 VAL MG2 1 81 PRO HD3 . . 3.710 3.440 3.275 3.756 0.046 11 0 "[ . 1 . 2]" 1
1121 1 59 VAL MG2 1 81 PRO HG2 . . 3.490 3.280 3.012 3.543 0.053 11 0 "[ . 1 . 2]" 1
1122 1 59 VAL MG2 1 82 LEU HA . . 4.910 4.600 4.110 4.925 0.015 16 0 "[ . 1 . 2]" 1
1123 1 60 GLU H 1 60 GLU QB . . 3.410 2.774 2.601 2.905 . 0 0 "[ . 1 . 2]" 1
1124 1 60 GLU H 1 60 GLU HG2 . . 4.560 4.356 4.121 4.604 0.044 20 0 "[ . 1 . 2]" 1
1125 1 60 GLU H 1 60 GLU HG3 . . 3.650 3.634 3.277 3.771 0.121 7 0 "[ . 1 . 2]" 1
1126 1 60 GLU H 1 61 ALA H . . 4.540 4.317 4.101 4.445 . 0 0 "[ . 1 . 2]" 1
1127 1 60 GLU H 1 61 ALA MB . . 4.980 4.188 3.997 4.373 . 0 0 "[ . 1 . 2]" 1
1128 1 60 GLU H 1 80 LEU QD . . 4.270 2.672 2.357 2.924 . 0 0 "[ . 1 . 2]" 1
1129 1 60 GLU HA 1 60 GLU HG2 . . 3.730 2.369 2.255 2.568 . 0 0 "[ . 1 . 2]" 1
1130 1 60 GLU HA 1 60 GLU HG3 . . 3.690 2.887 2.580 3.162 . 0 0 "[ . 1 . 2]" 1
1131 1 60 GLU HA 1 61 ALA H . . 3.010 2.375 2.229 2.542 . 0 0 "[ . 1 . 2]" 1
1132 1 60 GLU HA 1 61 ALA MB . . 4.510 3.814 3.715 3.887 . 0 0 "[ . 1 . 2]" 1
1133 1 60 GLU HA 1 80 LEU QD . . 3.200 2.377 1.912 2.694 . 0 0 "[ . 1 . 2]" 1
1134 1 60 GLU QB 1 60 GLU HG2 . . 2.760 2.415 2.319 2.487 . 0 0 "[ . 1 . 2]" 1
1135 1 60 GLU QB 1 61 ALA H . . 3.420 2.772 2.380 3.212 . 0 0 "[ . 1 . 2]" 1
1136 1 60 GLU QB 1 80 LEU QD . . 4.060 3.760 3.448 3.948 . 0 0 "[ . 1 . 2]" 1
1137 1 60 GLU HG2 1 61 ALA H . . 4.370 3.829 3.466 4.222 . 0 0 "[ . 1 . 2]" 1
1138 1 60 GLU HG2 1 80 LEU QD . . 4.850 4.198 3.790 4.576 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ALA H 1 61 ALA MB . . 3.480 2.695 2.443 2.855 . 0 0 "[ . 1 . 2]" 1
1140 1 61 ALA H 1 78 LEU QD . . 4.730 3.859 3.263 4.455 . 0 0 "[ . 1 . 2]" 1
1141 1 61 ALA H 1 80 LEU QD . . 3.330 2.723 2.271 3.035 . 0 0 "[ . 1 . 2]" 1
1142 1 61 ALA HA 1 62 GLN H . . 2.780 2.467 2.286 2.552 . 0 0 "[ . 1 . 2]" 1
1143 1 61 ALA HA 1 62 GLN HA . . 5.050 4.493 4.389 4.531 . 0 0 "[ . 1 . 2]" 1
1144 1 61 ALA HA 1 62 GLN QG . . 4.210 3.267 3.150 3.654 . 0 0 "[ . 1 . 2]" 1
1145 1 61 ALA HA 1 80 LEU QD . . 4.420 3.577 3.212 3.888 . 0 0 "[ . 1 . 2]" 1
1146 1 61 ALA MB 1 62 GLN H . . 2.930 2.497 2.300 2.940 0.010 17 0 "[ . 1 . 2]" 1
1147 1 61 ALA MB 1 62 GLN HA . . 3.790 3.814 3.721 3.953 0.163 6 0 "[ . 1 . 2]" 1
1148 1 61 ALA MB 1 62 GLN QG . . 4.170 4.061 3.986 4.178 0.008 17 0 "[ . 1 . 2]" 1
1149 1 61 ALA MB 1 78 LEU H . . 5.490 5.107 4.463 5.493 0.003 3 0 "[ . 1 . 2]" 1
1150 1 61 ALA MB 1 78 LEU HA . . 3.930 3.032 2.456 3.519 . 0 0 "[ . 1 . 2]" 1
1151 1 61 ALA MB 1 78 LEU HB3 . . 3.290 2.284 1.754 2.603 . 0 0 "[ . 1 . 2]" 1
1152 1 61 ALA MB 1 78 LEU QD . . 2.790 2.460 2.139 2.851 0.061 15 0 "[ . 1 . 2]" 1
1153 1 61 ALA MB 1 79 VAL H . . 3.710 2.596 2.073 3.307 . 0 0 "[ . 1 . 2]" 1
1154 1 61 ALA MB 1 79 VAL QG . . 4.020 3.733 3.456 3.876 . 0 0 "[ . 1 . 2]" 1
1155 1 61 ALA MB 1 80 LEU H . . 4.890 4.709 4.189 4.936 0.046 10 0 "[ . 1 . 2]" 1
1156 1 61 ALA MB 1 80 LEU HA . . 4.160 3.890 3.665 4.131 . 0 0 "[ . 1 . 2]" 1
1157 1 61 ALA MB 1 80 LEU QD . . 2.770 1.826 1.622 2.080 . 0 0 "[ . 1 . 2]" 1
1158 1 62 GLN H 1 62 GLN HB2 . . 3.980 3.747 2.795 3.934 . 0 0 "[ . 1 . 2]" 1
1159 1 62 GLN H 1 62 GLN QG . . 3.230 2.355 2.161 3.147 . 0 0 "[ . 1 . 2]" 1
1160 1 62 GLN H 1 63 THR H . . 4.890 4.381 4.361 4.441 . 0 0 "[ . 1 . 2]" 1
1161 1 62 GLN H 1 63 THR MG . . 4.700 4.597 4.399 4.752 0.052 18 0 "[ . 1 . 2]" 1
1162 1 62 GLN H 1 78 LEU QD . . 3.720 2.697 2.450 3.167 . 0 0 "[ . 1 . 2]" 1
1163 1 62 GLN HA 1 63 THR H . . 3.140 2.583 2.505 2.663 . 0 0 "[ . 1 . 2]" 1
1164 1 62 GLN HA 1 63 THR MG . . 4.200 3.388 3.127 3.505 . 0 0 "[ . 1 . 2]" 1
1165 1 62 GLN HA 1 78 LEU QD . . 3.410 1.831 1.744 1.922 . 0 0 "[ . 1 . 2]" 1
1166 1 62 GLN HB2 1 63 THR H . . 3.890 2.452 2.118 3.566 . 0 0 "[ . 1 . 2]" 1
1167 1 62 GLN HB3 1 63 THR H . . 3.910 3.389 2.229 3.661 . 0 0 "[ . 1 . 2]" 1
1168 1 62 GLN HB3 1 78 LEU QD . . 4.170 3.587 3.430 3.823 . 0 0 "[ . 1 . 2]" 1
1169 1 62 GLN QG 1 63 THR H . . 4.570 4.048 3.669 4.247 . 0 0 "[ . 1 . 2]" 1
1170 1 63 THR H 1 63 THR HG1 . . 4.600 2.733 2.594 2.995 . 0 0 "[ . 1 . 2]" 1
1171 1 63 THR H 1 63 THR MG . . 3.170 2.600 2.247 2.771 . 0 0 "[ . 1 . 2]" 1
1172 1 63 THR H 1 78 LEU QD . . 3.570 2.673 2.362 2.981 . 0 0 "[ . 1 . 2]" 1
1173 1 63 THR HA 1 63 THR MG . . 3.210 2.377 2.315 2.565 . 0 0 "[ . 1 . 2]" 1
1174 1 63 THR HA 1 64 ALA H . . 3.050 2.620 2.545 2.697 . 0 0 "[ . 1 . 2]" 1
1175 1 63 THR HA 1 64 ALA MB . . 4.170 4.131 4.090 4.184 0.014 3 0 "[ . 1 . 2]" 1
1176 1 63 THR HA 1 74 TRP HD1 . . 4.870 4.730 4.597 4.872 0.002 16 0 "[ . 1 . 2]" 1
1177 1 63 THR HA 1 76 GLU HG2 . . 4.830 4.300 3.786 4.762 . 0 0 "[ . 1 . 2]" 1
1178 1 63 THR HA 1 76 GLU HG3 . . 4.810 3.649 3.142 4.439 . 0 0 "[ . 1 . 2]" 1
1179 1 63 THR HA 1 78 LEU QD . . 3.770 3.159 2.781 3.419 . 0 0 "[ . 1 . 2]" 1
1180 1 63 THR HB 1 64 ALA H . . 3.170 2.244 2.118 2.372 . 0 0 "[ . 1 . 2]" 1
1181 1 63 THR HB 1 64 ALA MB . . 3.910 3.870 3.780 3.926 0.016 13 0 "[ . 1 . 2]" 1
1182 1 63 THR HB 1 74 TRP HD1 . . 3.890 2.530 2.302 2.813 . 0 0 "[ . 1 . 2]" 1
1183 1 63 THR HB 1 74 TRP HE1 . . 4.210 3.774 3.413 4.093 . 0 0 "[ . 1 . 2]" 1
1184 1 63 THR HG1 1 64 ALA H . . 3.900 3.378 3.005 3.576 . 0 0 "[ . 1 . 2]" 1
1185 1 63 THR HG1 1 64 ALA MB . . 4.560 4.520 4.262 4.603 0.043 16 0 "[ . 1 . 2]" 1
1186 1 63 THR HG1 1 74 TRP HD1 . . 4.230 3.295 2.907 3.588 . 0 0 "[ . 1 . 2]" 1
1187 1 63 THR HG1 1 74 TRP HE1 . . 3.640 2.535 2.279 2.807 . 0 0 "[ . 1 . 2]" 1
1188 1 63 THR MG 1 64 ALA H . . 3.840 3.756 3.686 3.862 0.022 15 0 "[ . 1 . 2]" 1
1189 1 63 THR MG 1 64 ALA MB . . 4.870 4.894 4.822 4.969 0.099 19 0 "[ . 1 . 2]" 1
1190 1 63 THR MG 1 74 TRP HB2 . . 4.440 3.375 2.929 3.673 . 0 0 "[ . 1 . 2]" 1
1191 1 63 THR MG 1 74 TRP HB3 . . 4.350 3.354 2.987 3.871 . 0 0 "[ . 1 . 2]" 1
1192 1 63 THR MG 1 74 TRP HD1 . . 4.330 3.959 3.581 4.308 . 0 0 "[ . 1 . 2]" 1
1193 1 63 THR MG 1 74 TRP HE1 . . 4.880 4.733 4.489 4.913 0.033 15 0 "[ . 1 . 2]" 1
1194 1 63 THR MG 1 76 GLU QB . . 4.730 4.493 4.084 4.811 0.081 19 0 "[ . 1 . 2]" 1
1195 1 63 THR MG 1 76 GLU HG2 . . 4.250 3.654 2.974 4.292 0.042 19 0 "[ . 1 . 2]" 1
1196 1 63 THR MG 1 76 GLU HG3 . . 4.320 2.878 2.359 3.213 . 0 0 "[ . 1 . 2]" 1
1197 1 63 THR MG 1 77 GLY QA . . 4.890 3.036 2.656 3.830 . 0 0 "[ . 1 . 2]" 1
1198 1 63 THR MG 1 78 LEU H . . 4.800 3.950 3.638 4.813 0.013 19 0 "[ . 1 . 2]" 1
1199 1 63 THR MG 1 78 LEU QD . . 2.800 1.733 1.647 1.976 . 0 0 "[ . 1 . 2]" 1
1200 1 63 THR MG 1 78 LEU HG . . 3.870 2.847 2.360 3.914 0.044 15 0 "[ . 1 . 2]" 1
1201 1 64 ALA H 1 64 ALA MB . . 2.830 2.149 1.998 2.208 . 0 0 "[ . 1 . 2]" 1
1202 1 64 ALA H 1 74 TRP HD1 . . 4.040 2.848 2.368 3.104 . 0 0 "[ . 1 . 2]" 1
1203 1 64 ALA HA 1 65 LEU H . . 2.820 2.269 2.218 2.507 . 0 0 "[ . 1 . 2]" 1
1204 1 64 ALA HA 1 65 LEU HB2 . . 4.370 4.435 4.312 4.484 0.114 1 0 "[ . 1 . 2]" 1
1205 1 64 ALA HA 1 65 LEU QD . . 3.980 3.329 3.113 3.623 . 0 0 "[ . 1 . 2]" 1
1206 1 64 ALA MB 1 65 LEU H . . 3.010 2.965 2.519 3.110 0.100 19 0 "[ . 1 . 2]" 1
1207 1 64 ALA MB 1 65 LEU HA . . 4.730 4.531 4.223 4.634 . 0 0 "[ . 1 . 2]" 1
1208 1 64 ALA MB 1 65 LEU QD . . 4.300 4.094 3.909 4.281 . 0 0 "[ . 1 . 2]" 1
1209 1 64 ALA MB 1 66 LYS QE . . 4.350 3.840 3.468 4.246 . 0 0 "[ . 1 . 2]" 1
1210 1 64 ALA MB 1 74 TRP HD1 . . 3.800 3.076 2.698 3.513 . 0 0 "[ . 1 . 2]" 1
1211 1 64 ALA MB 1 74 TRP HE1 . . 4.330 4.065 3.646 4.335 0.005 7 0 "[ . 1 . 2]" 1
1212 1 65 LEU H 1 65 LEU HB2 . . 3.000 2.233 2.105 2.353 . 0 0 "[ . 1 . 2]" 1
1213 1 65 LEU H 1 65 LEU HB3 . . 3.720 3.481 3.418 3.529 . 0 0 "[ . 1 . 2]" 1
1214 1 65 LEU H 1 65 LEU QD . . 3.490 2.080 1.856 2.664 . 0 0 "[ . 1 . 2]" 1
1215 1 65 LEU H 1 65 LEU HG . . 3.670 3.681 3.150 3.898 0.228 14 0 "[ . 1 . 2]" 1
1216 1 65 LEU HA 1 65 LEU QD . . 3.470 2.222 1.856 2.963 . 0 0 "[ . 1 . 2]" 1
1217 1 65 LEU HB2 1 65 LEU QD . . 3.210 2.221 2.047 2.541 . 0 0 "[ . 1 . 2]" 1
1218 1 65 LEU HB2 1 66 LYS H . . 4.790 4.190 3.968 4.477 . 0 0 "[ . 1 . 2]" 1
1219 1 65 LEU HB3 1 66 LYS H . . 4.370 2.992 2.651 3.484 . 0 0 "[ . 1 . 2]" 1
1220 1 65 LEU QD 1 66 LYS H . . 4.170 3.052 2.638 3.895 . 0 0 "[ . 1 . 2]" 1
1221 1 65 LEU QD 1 99 CYS HB2 . . 3.520 1.962 1.814 2.062 . 0 0 "[ . 1 . 2]" 1
1222 1 65 LEU QD 1 99 CYS HB3 . . 3.830 3.210 2.880 3.516 . 0 0 "[ . 1 . 2]" 1
1223 1 65 LEU HG 1 66 LYS H . . 4.800 4.571 3.932 4.907 0.107 12 0 "[ . 1 . 2]" 1
1224 1 66 LYS H 1 66 LYS HB2 . . 4.200 2.709 2.523 2.877 . 0 0 "[ . 1 . 2]" 1
1225 1 66 LYS H 1 66 LYS HG2 . . 4.610 3.712 3.295 4.049 . 0 0 "[ . 1 . 2]" 1
1226 1 66 LYS H 1 66 LYS HG3 . . 4.600 4.071 3.548 4.556 . 0 0 "[ . 1 . 2]" 1
1227 1 66 LYS H 1 67 LYS H . . 4.540 4.381 4.261 4.476 . 0 0 "[ . 1 . 2]" 1
1228 1 66 LYS H 1 74 TRP HE1 . . 4.520 3.711 3.156 4.305 . 0 0 "[ . 1 . 2]" 1
1229 1 66 LYS HA 1 66 LYS HD2 . . 4.100 3.818 2.951 4.156 0.056 4 0 "[ . 1 . 2]" 1
1230 1 66 LYS HA 1 66 LYS HD3 . . 3.610 3.055 2.044 3.497 . 0 0 "[ . 1 . 2]" 1
1231 1 66 LYS HA 1 66 LYS HG2 . . 3.700 2.237 2.044 2.728 . 0 0 "[ . 1 . 2]" 1
1232 1 66 LYS HA 1 67 LYS H . . 3.030 2.450 2.243 2.730 . 0 0 "[ . 1 . 2]" 1
1233 1 66 LYS HA 1 67 LYS HB3 . . 4.730 4.435 4.210 4.655 . 0 0 "[ . 1 . 2]" 1
1234 1 66 LYS HB2 1 66 LYS HD2 . . 4.140 3.219 2.981 3.625 . 0 0 "[ . 1 . 2]" 1
1235 1 66 LYS HB2 1 66 LYS QE . . 4.490 4.043 3.597 4.281 . 0 0 "[ . 1 . 2]" 1
1236 1 66 LYS HB2 1 67 LYS H . . 4.340 3.901 3.385 4.347 0.007 13 0 "[ . 1 . 2]" 1
1237 1 66 LYS HB2 1 72 THR MG . . 3.450 2.356 2.129 2.723 . 0 0 "[ . 1 . 2]" 1
1238 1 66 LYS HB2 1 74 TRP HE1 . . 4.380 2.960 2.550 3.425 . 0 0 "[ . 1 . 2]" 1
1239 1 66 LYS HB2 1 74 TRP HZ2 . . 4.860 2.979 2.608 3.355 . 0 0 "[ . 1 . 2]" 1
1240 1 66 LYS HB3 1 66 LYS HD2 . . 4.100 2.225 1.987 2.365 . 0 0 "[ . 1 . 2]" 1
1241 1 66 LYS HB3 1 66 LYS HD3 . . 4.040 2.779 2.539 3.134 . 0 0 "[ . 1 . 2]" 1
1242 1 66 LYS HB3 1 66 LYS QE . . 4.290 3.862 3.547 3.975 . 0 0 "[ . 1 . 2]" 1
1243 1 66 LYS HB3 1 67 LYS H . . 3.230 2.621 2.005 3.220 . 0 0 "[ . 1 . 2]" 1
1244 1 66 LYS HB3 1 72 THR MG . . 3.420 2.207 1.928 2.484 . 0 0 "[ . 1 . 2]" 1
1245 1 66 LYS HB3 1 74 TRP HE1 . . 4.800 4.443 4.112 4.730 . 0 0 "[ . 1 . 2]" 1
1246 1 66 LYS HB3 1 74 TRP HZ2 . . 5.010 4.544 4.066 5.012 0.002 11 0 "[ . 1 . 2]" 1
1247 1 66 LYS HD2 1 67 LYS H . . 4.760 4.096 3.187 4.785 0.025 16 0 "[ . 1 . 2]" 1
1248 1 66 LYS HD2 1 72 THR MG . . 3.780 2.648 2.191 2.987 . 0 0 "[ . 1 . 2]" 1
1249 1 66 LYS HD2 1 74 TRP HD1 . . 5.170 4.985 4.330 5.172 0.002 1 0 "[ . 1 . 2]" 1
1250 1 66 LYS HD2 1 74 TRP HE1 . . 5.090 4.828 4.343 5.018 . 0 0 "[ . 1 . 2]" 1
1251 1 66 LYS HD3 1 67 LYS H . . 4.520 3.726 3.269 4.371 . 0 0 "[ . 1 . 2]" 1
1252 1 66 LYS HD3 1 72 THR MG . . 4.140 3.877 3.532 4.158 0.018 12 0 "[ . 1 . 2]" 1
1253 1 66 LYS QE 1 66 LYS HG2 . . 3.680 2.700 2.515 3.269 . 0 0 "[ . 1 . 2]" 1
1254 1 66 LYS QE 1 66 LYS HG3 . . 3.860 2.270 2.164 2.659 . 0 0 "[ . 1 . 2]" 1
1255 1 66 LYS QE 1 72 THR MG . . 4.290 3.754 2.945 4.108 . 0 0 "[ . 1 . 2]" 1
1256 1 66 LYS QE 1 74 TRP HA . . 4.070 2.166 1.933 2.599 . 0 0 "[ . 1 . 2]" 1
1257 1 66 LYS QE 1 74 TRP HD1 . . 4.350 2.870 2.487 3.177 . 0 0 "[ . 1 . 2]" 1
1258 1 66 LYS HG2 1 67 LYS H . . 4.750 4.170 3.822 4.623 . 0 0 "[ . 1 . 2]" 1
1259 1 66 LYS HG2 1 72 THR MG . . 4.380 4.186 3.832 4.422 0.042 4 0 "[ . 1 . 2]" 1
1260 1 66 LYS HG2 1 74 TRP HD1 . . 4.340 3.959 3.223 4.337 . 0 0 "[ . 1 . 2]" 1
1261 1 66 LYS HG2 1 74 TRP HE1 . . 4.120 3.363 2.114 3.940 . 0 0 "[ . 1 . 2]" 1
1262 1 66 LYS HG3 1 67 LYS H . . 5.150 4.965 4.588 5.225 0.075 17 0 "[ . 1 . 2]" 1
1263 1 66 LYS HG3 1 72 THR MG . . 3.870 3.347 2.650 3.775 . 0 0 "[ . 1 . 2]" 1
1264 1 66 LYS HG3 1 74 TRP HD1 . . 4.480 2.939 2.669 3.500 . 0 0 "[ . 1 . 2]" 1
1265 1 66 LYS HG3 1 74 TRP HE1 . . 4.110 2.424 2.141 2.619 . 0 0 "[ . 1 . 2]" 1
1266 1 67 LYS H 1 67 LYS HB2 . . 3.630 3.084 2.782 3.448 . 0 0 "[ . 1 . 2]" 1
1267 1 67 LYS H 1 67 LYS HB3 . . 3.290 2.196 2.061 2.310 . 0 0 "[ . 1 . 2]" 1
1268 1 67 LYS H 1 67 LYS QE . . 4.460 3.978 2.612 4.494 0.034 20 0 "[ . 1 . 2]" 1
1269 1 67 LYS H 1 67 LYS HG2 . . 4.190 4.119 3.842 4.312 0.122 18 0 "[ . 1 . 2]" 1
1270 1 67 LYS H 1 67 LYS HG3 . . 4.170 4.229 4.024 4.311 0.141 14 0 "[ . 1 . 2]" 1
1271 1 67 LYS H 1 68 ARG H . . 3.500 4.514 4.244 4.646 1.146 15 20 [-*************+*****] 1
1272 1 67 LYS HA 1 67 LYS HD3 . . 4.090 4.053 3.463 4.978 0.888 15 5 "[ .* * 1 - +* 2]" 1
1273 1 67 LYS HA 1 67 LYS HG2 . . 3.890 3.698 3.384 3.846 . 0 0 "[ . 1 . 2]" 1
1274 1 67 LYS HA 1 67 LYS HG3 . . 4.000 3.076 2.695 4.170 0.170 15 0 "[ . 1 . 2]" 1
1275 1 67 LYS HA 1 68 ARG H . . 3.220 2.204 2.176 2.281 . 0 0 "[ . 1 . 2]" 1
1276 1 67 LYS HB2 1 67 LYS QE . . 4.870 2.562 2.139 3.507 . 0 0 "[ . 1 . 2]" 1
1277 1 67 LYS HB2 1 67 LYS HG3 . . 2.910 2.719 2.397 2.913 0.003 20 0 "[ . 1 . 2]" 1
1278 1 67 LYS HB2 1 68 ARG H . . 4.300 3.943 3.181 4.300 . 0 0 "[ . 1 . 2]" 1
1279 1 67 LYS HB3 1 67 LYS QE . . 3.740 2.544 2.080 3.660 . 0 0 "[ . 1 . 2]" 1
1280 1 67 LYS HB3 1 68 ARG H . . 4.720 4.478 4.331 4.636 . 0 0 "[ . 1 . 2]" 1
1281 1 67 LYS HD2 1 67 LYS HG2 . . 2.940 2.542 2.472 2.632 . 0 0 "[ . 1 . 2]" 1
1282 1 67 LYS HD3 1 67 LYS QE . . 2.650 2.442 2.204 2.566 . 0 0 "[ . 1 . 2]" 1
1283 1 67 LYS HD3 1 67 LYS HG2 . . 2.690 2.781 2.349 3.057 0.367 2 0 "[ . 1 . 2]" 1
1284 1 67 LYS HD3 1 68 ARG H . . 4.910 4.736 4.267 5.329 0.419 15 0 "[ . 1 . 2]" 1
1285 1 67 LYS QE 1 67 LYS HG2 . . 3.340 2.805 2.412 3.317 . 0 0 "[ . 1 . 2]" 1
1286 1 67 LYS QE 1 67 LYS HG3 . . 3.120 2.915 2.161 3.346 0.226 4 0 "[ . 1 . 2]" 1
1287 1 67 LYS QE 1 69 GLN QG . . 4.460 4.172 3.413 4.499 0.039 20 0 "[ . 1 . 2]" 1
1288 1 67 LYS HG2 1 68 ARG H . . 4.430 4.063 3.279 4.597 0.167 1 0 "[ . 1 . 2]" 1
1289 1 67 LYS HG2 1 69 GLN QG . . 4.710 2.509 2.024 2.765 . 0 0 "[ . 1 . 2]" 1
1290 1 67 LYS HG3 1 68 ARG H . . 4.630 3.241 2.463 4.690 0.060 8 0 "[ . 1 . 2]" 1
1291 1 67 LYS HG3 1 69 GLN QG . . 4.270 3.159 2.635 3.454 . 0 0 "[ . 1 . 2]" 1
1292 1 68 ARG H 1 68 ARG HB2 . . 4.040 2.384 2.037 3.547 . 0 0 "[ . 1 . 2]" 1
1293 1 68 ARG H 1 68 ARG HB3 . . 3.900 2.845 2.418 3.387 . 0 0 "[ . 1 . 2]" 1
1294 1 68 ARG H 1 68 ARG HG2 . . 4.980 4.126 2.321 4.663 . 0 0 "[ . 1 . 2]" 1
1295 1 68 ARG H 1 68 ARG HG3 . . 4.780 4.098 3.142 4.533 . 0 0 "[ . 1 . 2]" 1
1296 1 68 ARG HA 1 68 ARG HD2 . . 4.680 3.984 2.641 5.403 0.723 6 1 "[ .+ 1 . 2]" 1
1297 1 68 ARG HA 1 68 ARG HG2 . . 4.140 3.043 2.192 3.742 . 0 0 "[ . 1 . 2]" 1
1298 1 68 ARG HA 1 69 GLN H . . 3.280 2.246 2.226 2.265 . 0 0 "[ . 1 . 2]" 1
1299 1 68 ARG HA 1 69 GLN QG . . 4.590 4.052 3.664 4.323 . 0 0 "[ . 1 . 2]" 1
1300 1 68 ARG HA 1 72 THR MG . . 3.990 3.983 3.884 4.019 0.029 13 0 "[ . 1 . 2]" 1
1301 1 68 ARG HG2 1 69 GLN H . . 4.600 3.689 2.549 4.598 . 0 0 "[ . 1 . 2]" 1
1302 1 68 ARG HG3 1 69 GLN H . . 4.650 3.733 2.478 4.668 0.018 20 0 "[ . 1 . 2]" 1
1303 1 69 GLN H 1 69 GLN QG . . 3.760 3.340 2.755 3.647 . 0 0 "[ . 1 . 2]" 1
1304 1 69 GLN H 1 72 THR HB . . 4.930 4.022 3.626 4.172 . 0 0 "[ . 1 . 2]" 1
1305 1 69 GLN H 1 72 THR HG1 . . 3.890 2.034 1.940 2.323 . 0 0 "[ . 1 . 2]" 1
1306 1 69 GLN H 1 72 THR MG . . 4.060 4.003 3.793 4.086 0.026 13 0 "[ . 1 . 2]" 1
1307 1 69 GLN HA 1 69 GLN QG . . 3.160 2.638 2.416 2.838 . 0 0 "[ . 1 . 2]" 1
1308 1 69 GLN HB2 1 71 HIS H . . 4.560 2.902 2.307 3.425 . 0 0 "[ . 1 . 2]" 1
1309 1 69 GLN HB2 1 72 THR HA . . 4.540 3.024 2.717 3.689 . 0 0 "[ . 1 . 2]" 1
1310 1 69 GLN HB2 1 72 THR MG . . 4.610 3.663 3.240 4.453 . 0 0 "[ . 1 . 2]" 1
1311 1 69 GLN HB3 1 71 HIS H . . 4.540 2.372 2.174 2.869 . 0 0 "[ . 1 . 2]" 1
1312 1 69 GLN QG 1 71 HIS H . . 4.330 4.316 4.203 4.357 0.027 16 0 "[ . 1 . 2]" 1
1313 1 69 GLN QG 1 72 THR HA . . 4.350 4.112 3.850 4.361 0.011 20 0 "[ . 1 . 2]" 1
1314 1 69 GLN QG 1 72 THR MG . . 4.010 4.003 3.898 4.037 0.027 3 0 "[ . 1 . 2]" 1
1315 1 70 LEU HA 1 70 LEU QD . . 3.730 2.284 1.887 3.000 . 0 0 "[ . 1 . 2]" 1
1316 1 70 LEU QB 1 71 HIS H . . 4.270 3.242 3.009 3.444 . 0 0 "[ . 1 . 2]" 1
1317 1 71 HIS HA 1 71 HIS HD2 . . 3.980 2.370 2.165 2.682 . 0 0 "[ . 1 . 2]" 1
1318 1 71 HIS HA 1 72 THR H . . 3.370 2.361 2.246 2.493 . 0 0 "[ . 1 . 2]" 1
1319 1 71 HIS HA 1 72 THR HB . . 4.620 4.648 4.511 4.695 0.075 8 0 "[ . 1 . 2]" 1
1320 1 71 HIS HB2 1 72 THR H . . 5.010 4.668 4.576 4.723 . 0 0 "[ . 1 . 2]" 1
1321 1 71 HIS HD2 1 72 THR H . . 4.110 3.530 3.103 3.925 . 0 0 "[ . 1 . 2]" 1
1322 1 71 HIS HD2 1 73 THR MG . . 4.140 3.373 2.867 3.910 . 0 0 "[ . 1 . 2]" 1
1323 1 71 HIS HE1 1 73 THR MG . . 4.690 3.908 3.236 4.692 0.002 14 0 "[ . 1 . 2]" 1
1324 1 72 THR H 1 72 THR HB . . 3.850 2.348 2.283 2.395 . 0 0 "[ . 1 . 2]" 1
1325 1 72 THR H 1 72 THR HG1 . . 4.430 2.633 1.984 3.645 . 0 0 "[ . 1 . 2]" 1
1326 1 72 THR H 1 72 THR MG . . 4.340 3.699 3.681 3.740 . 0 0 "[ . 1 . 2]" 1
1327 1 72 THR HA 1 72 THR MG . . 3.140 2.430 2.343 2.519 . 0 0 "[ . 1 . 2]" 1
1328 1 72 THR HA 1 73 THR H . . 3.080 2.260 2.150 2.349 . 0 0 "[ . 1 . 2]" 1
1329 1 72 THR HA 1 73 THR MG . . 4.480 3.508 3.265 3.939 . 0 0 "[ . 1 . 2]" 1
1330 1 72 THR HB 1 74 TRP HH2 . . 4.330 3.178 2.802 3.748 . 0 0 "[ . 1 . 2]" 1
1331 1 72 THR HB 1 74 TRP HZ3 . . 5.030 3.757 3.318 4.488 . 0 0 "[ . 1 . 2]" 1
1332 1 72 THR MG 1 73 THR H . . 3.270 2.460 2.099 3.166 . 0 0 "[ . 1 . 2]" 1
1333 1 72 THR MG 1 73 THR HA . . 4.600 3.661 3.491 3.965 . 0 0 "[ . 1 . 2]" 1
1334 1 72 THR MG 1 74 TRP HE1 . . 4.770 4.132 3.808 4.438 . 0 0 "[ . 1 . 2]" 1
1335 1 72 THR MG 1 74 TRP HH2 . . 3.890 3.160 2.782 3.508 . 0 0 "[ . 1 . 2]" 1
1336 1 72 THR MG 1 74 TRP HZ2 . . 3.760 3.048 2.598 3.352 . 0 0 "[ . 1 . 2]" 1
1337 1 72 THR MG 1 74 TRP HZ3 . . 4.410 3.638 3.188 3.960 . 0 0 "[ . 1 . 2]" 1
1338 1 73 THR H 1 73 THR HB . . 4.150 3.776 3.609 3.840 . 0 0 "[ . 1 . 2]" 1
1339 1 73 THR H 1 73 THR MG . . 3.760 2.988 2.805 3.234 . 0 0 "[ . 1 . 2]" 1
1340 1 73 THR HA 1 73 THR MG . . 3.580 2.344 2.249 2.421 . 0 0 "[ . 1 . 2]" 1
1341 1 73 THR HA 1 74 TRP H . . 3.260 2.297 2.180 2.417 . 0 0 "[ . 1 . 2]" 1
1342 1 73 THR HB 1 74 TRP H . . 3.750 2.949 2.627 3.362 . 0 0 "[ . 1 . 2]" 1
1343 1 73 THR HB 1 74 TRP HE3 . . 5.000 4.770 4.366 5.004 0.004 19 0 "[ . 1 . 2]" 1
1344 1 73 THR MG 1 74 TRP H . . 3.980 3.937 3.837 3.997 0.017 3 0 "[ . 1 . 2]" 1
1345 1 73 THR MG 1 74 TRP HE3 . . 5.090 4.578 4.362 4.814 . 0 0 "[ . 1 . 2]" 1
1346 1 74 TRP H 1 74 TRP HB2 . . 3.910 2.500 2.356 2.606 . 0 0 "[ . 1 . 2]" 1
1347 1 74 TRP H 1 74 TRP HE3 . . 3.740 2.389 2.046 2.662 . 0 0 "[ . 1 . 2]" 1
1348 1 74 TRP H 1 74 TRP HZ3 . . 4.890 4.606 4.237 4.880 . 0 0 "[ . 1 . 2]" 1
1349 1 74 TRP HA 1 75 GLU HA . . 4.890 4.344 4.299 4.398 . 0 0 "[ . 1 . 2]" 1
1350 1 74 TRP HA 1 76 GLU H . . 4.640 4.272 3.827 4.632 . 0 0 "[ . 1 . 2]" 1
1351 1 74 TRP HB2 1 76 GLU H . . 4.620 3.861 2.924 4.417 . 0 0 "[ . 1 . 2]" 1
1352 1 74 TRP HB3 1 76 GLU H . . 4.220 2.726 2.358 3.090 . 0 0 "[ . 1 . 2]" 1
1353 1 74 TRP HH2 1 96 LEU QD . . 3.360 3.013 2.686 3.265 . 0 0 "[ . 1 . 2]" 1
1354 1 74 TRP HZ2 1 96 LEU QD . . 4.250 3.743 3.452 4.117 . 0 0 "[ . 1 . 2]" 1
1355 1 75 GLU HA 1 75 GLU HG2 . . 3.660 2.688 2.348 3.243 . 0 0 "[ . 1 . 2]" 1
1356 1 75 GLU HA 1 75 GLU HG3 . . 3.380 2.415 2.008 2.721 . 0 0 "[ . 1 . 2]" 1
1357 1 75 GLU QB 1 76 GLU H . . 4.230 3.049 2.607 3.918 . 0 0 "[ . 1 . 2]" 1
1358 1 76 GLU H 1 76 GLU QB . . 3.270 2.849 2.625 3.219 . 0 0 "[ . 1 . 2]" 1
1359 1 76 GLU H 1 76 GLU HG2 . . 3.960 2.110 1.947 2.674 . 0 0 "[ . 1 . 2]" 1
1360 1 76 GLU H 1 76 GLU HG3 . . 4.010 3.235 2.881 3.788 . 0 0 "[ . 1 . 2]" 1
1361 1 76 GLU H 1 77 GLY H . . 4.570 4.476 4.299 4.578 0.008 15 0 "[ . 1 . 2]" 1
1362 1 76 GLU HA 1 76 GLU HG2 . . 3.800 3.720 3.630 3.802 0.002 8 0 "[ . 1 . 2]" 1
1363 1 76 GLU HA 1 76 GLU HG3 . . 3.700 3.758 3.675 3.822 0.122 19 0 "[ . 1 . 2]" 1
1364 1 76 GLU HA 1 77 GLY H . . 2.860 2.625 2.449 2.859 . 0 0 "[ . 1 . 2]" 1
1365 1 76 GLU QB 1 76 GLU HG2 . . 2.770 2.424 2.357 2.465 . 0 0 "[ . 1 . 2]" 1
1366 1 76 GLU QB 1 76 GLU HG3 . . 2.710 2.367 2.325 2.435 . 0 0 "[ . 1 . 2]" 1
1367 1 76 GLU QB 1 77 GLY H . . 3.650 2.275 1.974 2.592 . 0 0 "[ . 1 . 2]" 1
1368 1 76 GLU HG2 1 77 GLY H . . 4.560 4.325 3.787 4.535 . 0 0 "[ . 1 . 2]" 1
1369 1 76 GLU HG3 1 77 GLY H . . 4.550 3.221 2.566 3.564 . 0 0 "[ . 1 . 2]" 1
1370 1 77 GLY H 1 78 LEU H . . 4.490 4.412 4.290 4.496 0.006 5 0 "[ . 1 . 2]" 1
1371 1 77 GLY QA 1 78 LEU H . . 3.320 2.316 2.295 2.333 . 0 0 "[ . 1 . 2]" 1
1372 1 77 GLY QA 1 78 LEU QD . . 4.650 3.458 2.421 3.758 . 0 0 "[ . 1 . 2]" 1
1373 1 77 GLY QA 1 78 LEU HG . . 4.940 3.510 3.152 5.201 0.261 15 0 "[ . 1 . 2]" 1
1374 1 78 LEU H 1 78 LEU HB2 . . 3.670 2.594 2.466 2.738 . 0 0 "[ . 1 . 2]" 1
1375 1 78 LEU H 1 78 LEU HB3 . . 4.050 3.639 3.556 3.787 . 0 0 "[ . 1 . 2]" 1
1376 1 78 LEU H 1 78 LEU QD . . 3.870 2.992 1.795 3.455 . 0 0 "[ . 1 . 2]" 1
1377 1 78 LEU H 1 78 LEU HG . . 3.490 2.457 2.159 3.748 0.258 15 0 "[ . 1 . 2]" 1
1378 1 78 LEU H 1 79 VAL H . . 4.650 4.508 4.224 4.634 . 0 0 "[ . 1 . 2]" 1
1379 1 78 LEU HA 1 78 LEU QD . . 3.190 2.185 1.891 2.503 . 0 0 "[ . 1 . 2]" 1
1380 1 78 LEU HA 1 79 VAL H . . 2.930 2.411 2.175 2.598 . 0 0 "[ . 1 . 2]" 1
1381 1 78 LEU HA 1 79 VAL QG . . 3.980 3.042 2.812 3.453 . 0 0 "[ . 1 . 2]" 1
1382 1 78 LEU HB2 1 79 VAL H . . 4.280 3.685 3.214 4.344 0.064 6 0 "[ . 1 . 2]" 1
1383 1 78 LEU HB3 1 79 VAL H . . 3.910 2.784 2.325 3.686 . 0 0 "[ . 1 . 2]" 1
1384 1 78 LEU QD 1 79 VAL H . . 3.780 3.653 3.444 3.865 0.085 4 0 "[ . 1 . 2]" 1
1385 1 79 VAL H 1 79 VAL HB . . 3.330 3.285 2.592 3.777 0.447 7 0 "[ . 1 . 2]" 1
1386 1 79 VAL H 1 79 VAL QG . . 3.310 2.465 1.829 2.972 . 0 0 "[ . 1 . 2]" 1
1387 1 79 VAL H 1 80 LEU H . . 4.780 4.068 3.622 4.464 . 0 0 "[ . 1 . 2]" 1
1388 1 79 VAL H 1 80 LEU QD . . 4.580 3.158 2.590 4.245 . 0 0 "[ . 1 . 2]" 1
1389 1 79 VAL H 1 80 LEU HG . . 5.500 4.972 3.315 5.694 0.194 16 0 "[ . 1 . 2]" 1
1390 1 79 VAL HA 1 79 VAL QG . . 3.050 2.343 2.059 2.596 . 0 0 "[ . 1 . 2]" 1
1391 1 79 VAL HA 1 80 LEU H . . 2.910 2.207 2.182 2.249 . 0 0 "[ . 1 . 2]" 1
1392 1 79 VAL HA 1 80 LEU HB2 . . 4.850 4.531 4.365 4.765 . 0 0 "[ . 1 . 2]" 1
1393 1 79 VAL HA 1 80 LEU QD . . 4.320 3.553 3.069 4.016 . 0 0 "[ . 1 . 2]" 1
1394 1 79 VAL HB 1 80 LEU H . . 4.580 4.127 3.719 4.522 . 0 0 "[ . 1 . 2]" 1
1395 1 79 VAL QG 1 80 LEU H . . 3.380 2.862 2.388 3.304 . 0 0 "[ . 1 . 2]" 1
1396 1 79 VAL QG 1 80 LEU HA . . 4.310 3.595 3.199 4.113 . 0 0 "[ . 1 . 2]" 1
1397 1 79 VAL QG 1 81 PRO HD3 . . 4.140 4.016 3.710 4.175 0.035 9 0 "[ . 1 . 2]" 1
1398 1 80 LEU H 1 80 LEU HB2 . . 3.690 2.571 2.313 2.904 . 0 0 "[ . 1 . 2]" 1
1399 1 80 LEU H 1 80 LEU HB3 . . 3.980 3.701 3.550 3.869 . 0 0 "[ . 1 . 2]" 1
1400 1 80 LEU H 1 80 LEU QD . . 3.690 2.883 2.532 3.456 . 0 0 "[ . 1 . 2]" 1
1401 1 80 LEU H 1 80 LEU HG . . 4.390 3.988 2.906 4.623 0.233 14 0 "[ . 1 . 2]" 1
1402 1 80 LEU H 1 81 PRO HD3 . . 4.730 4.548 4.364 4.668 . 0 0 "[ . 1 . 2]" 1
1403 1 80 LEU HA 1 80 LEU QD . . 3.040 2.148 1.796 2.854 . 0 0 "[ . 1 . 2]" 1
1404 1 80 LEU HA 1 80 LEU HG . . 3.560 3.243 2.769 3.610 0.050 14 0 "[ . 1 . 2]" 1
1405 1 80 LEU HA 1 81 PRO HD2 . . 3.120 2.471 2.319 2.614 . 0 0 "[ . 1 . 2]" 1
1406 1 80 LEU HA 1 81 PRO HD3 . . 3.050 1.921 1.909 1.948 . 0 0 "[ . 1 . 2]" 1
1407 1 80 LEU HA 1 81 PRO HG2 . . 4.760 4.470 4.380 4.563 . 0 0 "[ . 1 . 2]" 1
1408 1 80 LEU HA 1 81 PRO HG3 . . 4.200 4.189 4.176 4.218 0.018 19 0 "[ . 1 . 2]" 1
1409 1 80 LEU HB2 1 80 LEU QD . . 3.000 2.003 1.913 2.118 . 0 0 "[ . 1 . 2]" 1
1410 1 80 LEU HB2 1 81 PRO HD2 . . 4.740 4.146 3.682 4.527 . 0 0 "[ . 1 . 2]" 1
1411 1 80 LEU HB2 1 81 PRO HD3 . . 4.840 4.618 4.362 4.801 . 0 0 "[ . 1 . 2]" 1
1412 1 80 LEU HB3 1 80 LEU QD . . 3.060 2.332 1.922 2.611 . 0 0 "[ . 1 . 2]" 1
1413 1 80 LEU HB3 1 81 PRO HD2 . . 4.060 2.712 2.285 3.204 . 0 0 "[ . 1 . 2]" 1
1414 1 80 LEU HB3 1 81 PRO HD3 . . 4.440 3.639 3.224 4.041 . 0 0 "[ . 1 . 2]" 1
1415 1 80 LEU QD 1 81 PRO HD2 . . 3.580 2.799 2.363 3.402 . 0 0 "[ . 1 . 2]" 1
1416 1 80 LEU QD 1 81 PRO HD3 . . 3.870 2.999 2.460 3.795 . 0 0 "[ . 1 . 2]" 1
1417 1 80 LEU HG 1 81 PRO HD2 . . 4.760 4.349 4.067 4.795 0.035 11 0 "[ . 1 . 2]" 1
1418 1 80 LEU HG 1 81 PRO HD3 . . 4.720 4.790 4.590 4.959 0.239 5 0 "[ . 1 . 2]" 1
1419 1 81 PRO HA 1 82 LEU H . . 2.790 2.154 2.149 2.170 . 0 0 "[ . 1 . 2]" 1
1420 1 81 PRO HB2 1 82 LEU H . . 3.870 3.723 3.572 3.832 . 0 0 "[ . 1 . 2]" 1
1421 1 81 PRO HB3 1 82 LEU H . . 3.950 4.022 3.914 4.104 0.154 11 0 "[ . 1 . 2]" 1
1422 1 82 LEU H 1 82 LEU HB3 . . 3.740 2.849 2.771 2.920 . 0 0 "[ . 1 . 2]" 1
1423 1 82 LEU H 1 82 LEU QD . . 4.390 3.836 3.548 4.076 . 0 0 "[ . 1 . 2]" 1
1424 1 82 LEU H 1 83 ALA H . . 4.770 4.274 4.128 4.374 . 0 0 "[ . 1 . 2]" 1
1425 1 82 LEU HA 1 82 LEU QD . . 2.850 2.159 1.923 2.462 . 0 0 "[ . 1 . 2]" 1
1426 1 82 LEU HA 1 82 LEU HG . . 3.990 3.378 3.091 3.719 . 0 0 "[ . 1 . 2]" 1
1427 1 82 LEU HA 1 83 ALA H . . 2.780 2.289 2.202 2.411 . 0 0 "[ . 1 . 2]" 1
1428 1 82 LEU HB2 1 83 ALA H . . 4.640 4.011 3.843 4.192 . 0 0 "[ . 1 . 2]" 1
1429 1 82 LEU HB3 1 82 LEU QD . . 3.070 2.138 2.028 2.225 . 0 0 "[ . 1 . 2]" 1
1430 1 82 LEU HB3 1 87 LEU MD2 . . 4.790 3.919 3.629 4.141 . 0 0 "[ . 1 . 2]" 1
1431 1 82 LEU QD 1 83 ALA H . . 3.130 1.922 1.765 2.235 . 0 0 "[ . 1 . 2]" 1
1432 1 82 LEU QD 1 83 ALA HA . . 4.650 3.810 3.172 4.394 . 0 0 "[ . 1 . 2]" 1
1433 1 82 LEU QD 1 83 ALA MB . . 3.750 3.181 2.869 3.588 . 0 0 "[ . 1 . 2]" 1
1434 1 82 LEU QD 1 86 GLU H . . 4.160 3.220 2.801 3.548 . 0 0 "[ . 1 . 2]" 1
1435 1 82 LEU QD 1 86 GLU HA . . 4.380 3.790 3.697 3.867 . 0 0 "[ . 1 . 2]" 1
1436 1 82 LEU QD 1 86 GLU HB2 . . 3.220 1.738 1.688 1.785 . 0 0 "[ . 1 . 2]" 1
1437 1 82 LEU QD 1 86 GLU HB3 . . 3.440 2.529 2.411 2.640 . 0 0 "[ . 1 . 2]" 1
1438 1 82 LEU QD 1 86 GLU HG2 . . 4.150 4.074 3.911 4.153 0.003 6 0 "[ . 1 . 2]" 1
1439 1 82 LEU QD 1 86 GLU HG3 . . 3.710 3.309 3.102 3.497 . 0 0 "[ . 1 . 2]" 1
1440 1 82 LEU QD 1 87 LEU H . . 4.550 3.118 2.690 3.549 . 0 0 "[ . 1 . 2]" 1
1441 1 82 LEU QD 1 87 LEU HA . . 3.490 1.934 1.896 2.158 . 0 0 "[ . 1 . 2]" 1
1442 1 82 LEU QD 1 87 LEU HB2 . . 4.740 3.816 3.490 4.170 . 0 0 "[ . 1 . 2]" 1
1443 1 82 LEU QD 1 87 LEU HB3 . . 4.750 3.771 3.623 4.017 . 0 0 "[ . 1 . 2]" 1
1444 1 82 LEU QD 1 87 LEU MD2 . . 2.890 1.851 1.785 2.022 . 0 0 "[ . 1 . 2]" 1
1445 1 82 LEU QD 1 87 LEU HG . . 2.960 2.319 1.880 2.699 . 0 0 "[ . 1 . 2]" 1
1446 1 82 LEU QD 1 90 ALA H . . 4.410 4.020 3.773 4.239 . 0 0 "[ . 1 . 2]" 1
1447 1 82 LEU QD 1 90 ALA MB . . 2.930 1.715 1.579 1.855 . 0 0 "[ . 1 . 2]" 1
1448 1 82 LEU HG 1 83 ALA H . . 4.400 3.283 2.150 4.449 0.049 19 0 "[ . 1 . 2]" 1
1449 1 82 LEU HG 1 86 GLU HB3 . . 4.670 4.760 4.486 4.966 0.296 11 0 "[ . 1 . 2]" 1
1450 1 82 LEU HG 1 87 LEU MD2 . . 4.030 3.448 3.257 3.637 . 0 0 "[ . 1 . 2]" 1
1451 1 83 ALA H 1 83 ALA MB . . 2.690 2.155 1.993 2.309 . 0 0 "[ . 1 . 2]" 1
1452 1 83 ALA H 1 86 GLU HB2 . . 4.760 2.682 2.467 3.023 . 0 0 "[ . 1 . 2]" 1
1453 1 83 ALA H 1 86 GLU HG2 . . 4.730 4.690 4.424 4.912 0.182 18 0 "[ . 1 . 2]" 1
1454 1 83 ALA H 1 86 GLU HG3 . . 4.520 3.125 2.821 3.429 . 0 0 "[ . 1 . 2]" 1
1455 1 83 ALA HA 1 84 GLU H . . 2.840 2.282 2.228 2.383 . 0 0 "[ . 1 . 2]" 1
1456 1 83 ALA HA 1 84 GLU HA . . 4.310 4.263 4.256 4.276 . 0 0 "[ . 1 . 2]" 1
1457 1 83 ALA HA 1 84 GLU HB2 . . 4.470 4.375 4.343 4.402 . 0 0 "[ . 1 . 2]" 1
1458 1 83 ALA HA 1 85 GLU H . . 4.290 3.784 3.705 3.908 . 0 0 "[ . 1 . 2]" 1
1459 1 83 ALA MB 1 84 GLU H . . 3.130 2.969 2.679 3.126 . 0 0 "[ . 1 . 2]" 1
1460 1 83 ALA MB 1 84 GLU HA . . 4.480 4.463 4.366 4.512 0.032 15 0 "[ . 1 . 2]" 1
1461 1 83 ALA MB 1 84 GLU HB3 . . 4.650 4.667 4.590 4.713 0.063 4 0 "[ . 1 . 2]" 1
1462 1 83 ALA MB 1 85 GLU H . . 3.370 2.386 2.213 2.527 . 0 0 "[ . 1 . 2]" 1
1463 1 83 ALA MB 1 85 GLU HA . . 4.690 4.598 4.525 4.692 0.002 9 0 "[ . 1 . 2]" 1
1464 1 83 ALA MB 1 85 GLU QB . . 4.330 3.615 3.381 3.847 . 0 0 "[ . 1 . 2]" 1
1465 1 83 ALA MB 1 85 GLU QG . . 3.240 1.974 1.795 2.150 . 0 0 "[ . 1 . 2]" 1
1466 1 83 ALA MB 1 86 GLU H . . 3.460 2.777 2.632 2.922 . 0 0 "[ . 1 . 2]" 1
1467 1 83 ALA MB 1 86 GLU HA . . 4.550 4.571 4.465 4.598 0.048 2 0 "[ . 1 . 2]" 1
1468 1 83 ALA MB 1 86 GLU HB2 . . 3.260 3.124 2.892 3.262 0.002 7 0 "[ . 1 . 2]" 1
1469 1 83 ALA MB 1 86 GLU HB3 . . 4.680 4.259 4.112 4.330 . 0 0 "[ . 1 . 2]" 1
1470 1 83 ALA MB 1 86 GLU HG2 . . 3.280 3.188 3.012 3.335 0.055 10 0 "[ . 1 . 2]" 1
1471 1 83 ALA MB 1 86 GLU HG3 . . 3.280 2.012 1.835 2.197 . 0 0 "[ . 1 . 2]" 1
1472 1 84 GLU H 1 84 GLU HB2 . . 3.330 2.275 2.214 2.341 . 0 0 "[ . 1 . 2]" 1
1473 1 84 GLU H 1 84 GLU HB3 . . 3.340 2.702 2.644 2.769 . 0 0 "[ . 1 . 2]" 1
1474 1 84 GLU H 1 84 GLU HG3 . . 4.300 4.309 4.226 4.383 0.083 20 0 "[ . 1 . 2]" 1
1475 1 84 GLU H 1 85 GLU H . . 3.640 2.678 2.526 2.758 . 0 0 "[ . 1 . 2]" 1
1476 1 84 GLU H 1 85 GLU QG . . 4.850 4.234 3.672 4.780 . 0 0 "[ . 1 . 2]" 1
1477 1 84 GLU H 1 87 LEU MD1 . . 4.850 4.139 4.014 4.265 . 0 0 "[ . 1 . 2]" 1
1478 1 84 GLU HA 1 84 GLU HG2 . . 3.510 2.459 2.397 2.565 . 0 0 "[ . 1 . 2]" 1
1479 1 84 GLU HA 1 84 GLU HG3 . . 3.480 2.858 2.764 2.933 . 0 0 "[ . 1 . 2]" 1
1480 1 84 GLU HA 1 86 GLU H . . 4.470 3.593 3.452 3.805 . 0 0 "[ . 1 . 2]" 1
1481 1 84 GLU HA 1 87 LEU H . . 4.110 3.212 3.052 3.507 . 0 0 "[ . 1 . 2]" 1
1482 1 84 GLU HA 1 87 LEU HB2 . . 3.920 3.218 3.167 3.262 . 0 0 "[ . 1 . 2]" 1
1483 1 84 GLU HA 1 87 LEU HB3 . . 4.320 4.389 4.331 4.425 0.105 14 0 "[ . 1 . 2]" 1
1484 1 84 GLU HA 1 87 LEU MD1 . . 3.350 1.961 1.917 2.049 . 0 0 "[ . 1 . 2]" 1
1485 1 84 GLU HA 1 87 LEU MD2 . . 3.860 3.571 3.534 3.600 . 0 0 "[ . 1 . 2]" 1
1486 1 84 GLU HA 1 87 LEU HG . . 3.540 2.003 1.965 2.076 . 0 0 "[ . 1 . 2]" 1
1487 1 84 GLU HB2 1 84 GLU HG3 . . 3.000 2.312 2.296 2.342 . 0 0 "[ . 1 . 2]" 1
1488 1 84 GLU HB2 1 85 GLU H . . 4.030 4.065 3.988 4.109 0.079 8 0 "[ . 1 . 2]" 1
1489 1 84 GLU HB2 1 87 LEU MD1 . . 4.640 3.165 3.053 3.285 . 0 0 "[ . 1 . 2]" 1
1490 1 84 GLU HB3 1 85 GLU H . . 3.680 3.210 3.040 3.306 . 0 0 "[ . 1 . 2]" 1
1491 1 84 GLU HB3 1 85 GLU HA . . 4.970 4.231 4.179 4.276 . 0 0 "[ . 1 . 2]" 1
1492 1 84 GLU HB3 1 87 LEU MD1 . . 4.190 3.797 3.723 3.870 . 0 0 "[ . 1 . 2]" 1
1493 1 84 GLU HG2 1 85 GLU H . . 4.590 4.594 4.522 4.656 0.066 12 0 "[ . 1 . 2]" 1
1494 1 84 GLU HG2 1 87 LEU MD1 . . 3.500 1.898 1.818 1.952 . 0 0 "[ . 1 . 2]" 1
1495 1 84 GLU HG2 1 87 LEU MD2 . . 4.670 4.540 4.384 4.663 . 0 0 "[ . 1 . 2]" 1
1496 1 84 GLU HG3 1 87 LEU MD1 . . 3.790 2.057 1.925 2.242 . 0 0 "[ . 1 . 2]" 1
1497 1 85 GLU H 1 85 GLU QB . . 2.960 2.534 2.353 2.711 . 0 0 "[ . 1 . 2]" 1
1498 1 85 GLU H 1 85 GLU QG . . 3.110 2.205 1.940 2.485 . 0 0 "[ . 1 . 2]" 1
1499 1 85 GLU H 1 86 GLU H . . 3.360 2.411 2.328 2.497 . 0 0 "[ . 1 . 2]" 1
1500 1 85 GLU H 1 86 GLU HA . . 4.970 4.939 4.901 4.996 0.026 10 0 "[ . 1 . 2]" 1
1501 1 85 GLU H 1 87 LEU H . . 4.540 3.860 3.775 3.941 . 0 0 "[ . 1 . 2]" 1
1502 1 85 GLU HA 1 85 GLU QB . . 2.660 2.195 2.187 2.200 . 0 0 "[ . 1 . 2]" 1
1503 1 85 GLU HA 1 85 GLU QG . . 3.300 3.317 3.288 3.333 0.033 14 0 "[ . 1 . 2]" 1
1504 1 85 GLU HA 1 86 GLU H . . 3.640 3.385 3.318 3.460 . 0 0 "[ . 1 . 2]" 1
1505 1 85 GLU HA 1 87 LEU H . . 4.160 3.822 3.625 3.947 . 0 0 "[ . 1 . 2]" 1
1506 1 85 GLU HA 1 88 PRO HD2 . . 4.320 3.894 3.750 4.060 . 0 0 "[ . 1 . 2]" 1
1507 1 85 GLU HA 1 88 PRO HD3 . . 4.600 4.205 4.059 4.403 . 0 0 "[ . 1 . 2]" 1
1508 1 85 GLU QB 1 85 GLU QG . . 2.400 2.112 2.096 2.123 . 0 0 "[ . 1 . 2]" 1
1509 1 85 GLU QB 1 86 GLU H . . 4.080 3.857 3.757 3.939 . 0 0 "[ . 1 . 2]" 1
1510 1 85 GLU QG 1 86 GLU H . . 3.460 2.708 2.415 2.901 . 0 0 "[ . 1 . 2]" 1
1511 1 85 GLU QG 1 86 GLU HA . . 4.210 3.663 3.447 3.922 . 0 0 "[ . 1 . 2]" 1
1512 1 85 GLU QG 1 87 LEU H . . 4.610 4.468 4.340 4.550 . 0 0 "[ . 1 . 2]" 1
1513 1 86 GLU H 1 86 GLU HB2 . . 3.370 2.654 2.526 2.751 . 0 0 "[ . 1 . 2]" 1
1514 1 86 GLU H 1 86 GLU HB3 . . 3.970 3.731 3.672 3.764 . 0 0 "[ . 1 . 2]" 1
1515 1 86 GLU H 1 86 GLU HG2 . . 3.540 3.098 2.916 3.286 . 0 0 "[ . 1 . 2]" 1
1516 1 86 GLU H 1 86 GLU HG3 . . 3.600 2.996 2.564 3.361 . 0 0 "[ . 1 . 2]" 1
1517 1 86 GLU H 1 87 LEU H . . 3.200 2.066 1.878 2.371 . 0 0 "[ . 1 . 2]" 1
1518 1 86 GLU H 1 87 LEU HA . . 4.750 4.313 4.187 4.445 . 0 0 "[ . 1 . 2]" 1
1519 1 86 GLU H 1 87 LEU HB2 . . 4.860 4.072 3.941 4.248 . 0 0 "[ . 1 . 2]" 1
1520 1 86 GLU H 1 87 LEU MD1 . . 4.740 4.659 4.572 4.781 0.041 2 0 "[ . 1 . 2]" 1
1521 1 86 GLU H 1 87 LEU HG . . 4.640 3.882 3.779 4.009 . 0 0 "[ . 1 . 2]" 1
1522 1 86 GLU H 1 88 PRO HD2 . . 4.830 3.593 3.448 3.835 . 0 0 "[ . 1 . 2]" 1
1523 1 86 GLU H 1 88 PRO HD3 . . 4.950 4.367 4.228 4.603 . 0 0 "[ . 1 . 2]" 1
1524 1 86 GLU HA 1 86 GLU HG2 . . 3.260 2.457 2.346 2.579 . 0 0 "[ . 1 . 2]" 1
1525 1 86 GLU HA 1 86 GLU HG3 . . 3.600 3.597 3.487 3.693 0.093 11 0 "[ . 1 . 2]" 1
1526 1 86 GLU HA 1 87 LEU HB2 . . 4.770 5.189 5.158 5.213 0.443 10 0 "[ . 1 . 2]" 1
1527 1 86 GLU HA 1 88 PRO HD2 . . 4.110 2.846 2.757 3.001 . 0 0 "[ . 1 . 2]" 1
1528 1 86 GLU HA 1 88 PRO HD3 . . 4.650 4.500 4.426 4.616 . 0 0 "[ . 1 . 2]" 1
1529 1 86 GLU HA 1 89 THR MG . . 4.900 2.269 2.047 2.763 . 0 0 "[ . 1 . 2]" 1
1530 1 86 GLU HA 1 90 ALA H . . 4.970 4.898 4.758 5.046 0.076 1 0 "[ . 1 . 2]" 1
1531 1 86 GLU HA 1 90 ALA MB . . 4.170 4.100 3.941 4.210 0.040 8 0 "[ . 1 . 2]" 1
1532 1 86 GLU HB2 1 87 LEU H . . 4.320 3.646 3.472 3.931 . 0 0 "[ . 1 . 2]" 1
1533 1 86 GLU HB2 1 90 ALA MB . . 3.830 3.154 2.888 3.276 . 0 0 "[ . 1 . 2]" 1
1534 1 86 GLU HB3 1 87 LEU H . . 4.670 4.431 4.301 4.600 . 0 0 "[ . 1 . 2]" 1
1535 1 86 GLU HB3 1 90 ALA MB . . 3.690 2.763 2.421 3.138 . 0 0 "[ . 1 . 2]" 1
1536 1 86 GLU HG2 1 87 LEU H . . 4.900 4.683 4.556 4.818 . 0 0 "[ . 1 . 2]" 1
1537 1 86 GLU HG3 1 87 LEU H . . 4.730 4.841 4.718 4.997 0.267 13 0 "[ . 1 . 2]" 1
1538 1 87 LEU H 1 87 LEU HB2 . . 3.480 2.185 2.121 2.233 . 0 0 "[ . 1 . 2]" 1
1539 1 87 LEU H 1 87 LEU HB3 . . 3.510 3.467 3.430 3.492 . 0 0 "[ . 1 . 2]" 1
1540 1 87 LEU H 1 87 LEU MD1 . . 3.870 3.572 3.526 3.646 . 0 0 "[ . 1 . 2]" 1
1541 1 87 LEU H 1 87 LEU MD2 . . 3.870 3.835 3.765 3.915 0.045 2 0 "[ . 1 . 2]" 1
1542 1 87 LEU H 1 87 LEU HG . . 3.390 2.736 2.638 2.906 . 0 0 "[ . 1 . 2]" 1
1543 1 87 LEU H 1 88 PRO HD2 . . 3.580 2.347 2.094 2.476 . 0 0 "[ . 1 . 2]" 1
1544 1 87 LEU H 1 88 PRO HD3 . . 3.530 2.612 2.388 2.735 . 0 0 "[ . 1 . 2]" 1
1545 1 87 LEU H 1 88 PRO HG3 . . 4.790 4.705 4.453 4.841 0.051 9 0 "[ . 1 . 2]" 1
1546 1 87 LEU HA 1 87 LEU MD2 . . 3.030 1.997 1.956 2.133 . 0 0 "[ . 1 . 2]" 1
1547 1 87 LEU HA 1 87 LEU HG . . 3.250 2.656 2.630 2.695 . 0 0 "[ . 1 . 2]" 1
1548 1 87 LEU HA 1 89 THR H . . 4.610 4.094 3.845 4.305 . 0 0 "[ . 1 . 2]" 1
1549 1 87 LEU HA 1 90 ALA H . . 4.270 4.057 3.858 4.221 . 0 0 "[ . 1 . 2]" 1
1550 1 87 LEU HA 1 90 ALA MB . . 3.270 2.724 2.637 2.879 . 0 0 "[ . 1 . 2]" 1
1551 1 87 LEU HA 1 115 LEU HB2 . . 4.140 2.873 2.628 3.133 . 0 0 "[ . 1 . 2]" 1
1552 1 87 LEU HA 1 115 LEU HB3 . . 4.540 3.875 3.273 4.285 . 0 0 "[ . 1 . 2]" 1
1553 1 87 LEU HA 1 115 LEU QD . . 4.150 3.397 3.189 3.692 . 0 0 "[ . 1 . 2]" 1
1554 1 87 LEU HB2 1 87 LEU MD1 . . 3.140 2.135 2.115 2.159 . 0 0 "[ . 1 . 2]" 1
1555 1 87 LEU HB2 1 87 LEU MD2 . . 3.200 3.211 3.200 3.216 0.016 19 0 "[ . 1 . 2]" 1
1556 1 87 LEU HB2 1 88 PRO HA . . 4.780 4.824 4.810 4.840 0.060 11 0 "[ . 1 . 2]" 1
1557 1 87 LEU HB2 1 88 PRO HD2 . . 3.710 3.043 3.006 3.074 . 0 0 "[ . 1 . 2]" 1
1558 1 87 LEU HB2 1 88 PRO HD3 . . 3.440 1.830 1.802 1.856 . 0 0 "[ . 1 . 2]" 1
1559 1 87 LEU HB2 1 88 PRO HG2 . . 4.770 4.715 4.683 4.741 . 0 0 "[ . 1 . 2]" 1
1560 1 87 LEU HB2 1 88 PRO HG3 . . 4.800 4.022 3.999 4.044 . 0 0 "[ . 1 . 2]" 1
1561 1 87 LEU HB2 1 116 ASP HA . . 4.710 4.208 3.728 4.631 . 0 0 "[ . 1 . 2]" 1
1562 1 87 LEU HB3 1 87 LEU MD1 . . 3.300 2.532 2.504 2.552 . 0 0 "[ . 1 . 2]" 1
1563 1 87 LEU HB3 1 87 LEU MD2 . . 3.080 2.377 2.305 2.404 . 0 0 "[ . 1 . 2]" 1
1564 1 87 LEU HB3 1 88 PRO HA . . 4.810 4.193 4.181 4.210 . 0 0 "[ . 1 . 2]" 1
1565 1 87 LEU HB3 1 88 PRO HD2 . . 4.040 4.045 4.013 4.088 0.048 1 0 "[ . 1 . 2]" 1
1566 1 87 LEU HB3 1 88 PRO HD3 . . 3.460 2.789 2.747 2.845 . 0 0 "[ . 1 . 2]" 1
1567 1 87 LEU HB3 1 88 PRO HG3 . . 4.730 4.667 4.625 4.724 . 0 0 "[ . 1 . 2]" 1
1568 1 87 LEU HB3 1 116 ASP HA . . 4.740 2.772 2.229 3.260 . 0 0 "[ . 1 . 2]" 1
1569 1 87 LEU MD1 1 88 PRO HD2 . . 4.640 4.746 4.718 4.771 0.131 18 0 "[ . 1 . 2]" 1
1570 1 87 LEU MD1 1 88 PRO HD3 . . 4.390 3.575 3.553 3.603 . 0 0 "[ . 1 . 2]" 1
1571 1 87 LEU MD1 1 122 LEU MD1 . . 3.500 3.437 3.305 3.523 0.023 11 0 "[ . 1 . 2]" 1
1572 1 87 LEU MD2 1 88 PRO HD3 . . 4.420 4.461 4.431 4.483 0.063 18 0 "[ . 1 . 2]" 1
1573 1 87 LEU MD2 1 90 ALA MB . . 3.740 3.664 3.542 3.762 0.022 17 0 "[ . 1 . 2]" 1
1574 1 87 LEU MD2 1 115 LEU HB3 . . 3.280 2.081 1.849 2.390 . 0 0 "[ . 1 . 2]" 1
1575 1 87 LEU MD2 1 115 LEU QD . . 3.310 2.995 2.419 3.203 . 0 0 "[ . 1 . 2]" 1
1576 1 87 LEU MD2 1 115 LEU HG . . 4.360 3.634 3.081 4.396 0.036 9 0 "[ . 1 . 2]" 1
1577 1 87 LEU MD2 1 116 ASP HA . . 4.640 3.913 3.405 4.259 . 0 0 "[ . 1 . 2]" 1
1578 1 87 LEU MD2 1 122 LEU MD1 . . 3.350 3.194 3.006 3.370 0.020 2 0 "[ . 1 . 2]" 1
1579 1 87 LEU HG 1 88 PRO HD2 . . 4.570 4.817 4.793 4.837 0.267 11 0 "[ . 1 . 2]" 1
1580 1 87 LEU HG 1 88 PRO HD3 . . 4.270 4.221 4.193 4.242 . 0 0 "[ . 1 . 2]" 1
1581 1 88 PRO HA 1 89 THR MG . . 4.820 4.151 4.046 4.242 . 0 0 "[ . 1 . 2]" 1
1582 1 88 PRO HA 1 90 ALA H . . 4.730 3.586 3.478 3.692 . 0 0 "[ . 1 . 2]" 1
1583 1 88 PRO HA 1 116 ASP QB . . 3.670 2.112 1.965 2.553 . 0 0 "[ . 1 . 2]" 1
1584 1 88 PRO HB2 1 89 THR H . . 3.830 3.676 3.517 3.854 0.024 3 0 "[ . 1 . 2]" 1
1585 1 88 PRO HB2 1 89 THR MG . . 3.780 2.862 2.794 2.929 . 0 0 "[ . 1 . 2]" 1
1586 1 88 PRO HB3 1 89 THR H . . 4.500 4.428 4.341 4.524 0.024 3 0 "[ . 1 . 2]" 1
1587 1 88 PRO HB3 1 89 THR MG . . 4.130 4.213 4.177 4.257 0.127 15 0 "[ . 1 . 2]" 1
1588 1 88 PRO HB3 1 116 ASP QB . . 5.000 3.018 2.621 3.470 . 0 0 "[ . 1 . 2]" 1
1589 1 88 PRO HD2 1 89 THR H . . 3.770 2.365 2.278 2.496 . 0 0 "[ . 1 . 2]" 1
1590 1 88 PRO HD3 1 89 THR H . . 4.260 3.683 3.656 3.730 . 0 0 "[ . 1 . 2]" 1
1591 1 88 PRO HG2 1 89 THR H . . 4.260 3.312 3.091 3.572 . 0 0 "[ . 1 . 2]" 1
1592 1 88 PRO HG2 1 89 THR MG . . 4.590 2.555 2.508 2.681 . 0 0 "[ . 1 . 2]" 1
1593 1 88 PRO HG3 1 89 THR H . . 4.710 4.388 4.243 4.560 . 0 0 "[ . 1 . 2]" 1
1594 1 88 PRO HG3 1 89 THR MG . . 4.680 3.975 3.935 4.089 . 0 0 "[ . 1 . 2]" 1
1595 1 88 PRO HG3 1 116 ASP HA . . 4.940 4.951 4.822 5.016 0.076 9 0 "[ . 1 . 2]" 1
1596 1 89 THR H 1 89 THR HB . . 4.110 3.671 3.609 3.746 . 0 0 "[ . 1 . 2]" 1
1597 1 89 THR H 1 89 THR MG . . 3.410 2.251 2.114 2.517 . 0 0 "[ . 1 . 2]" 1
1598 1 89 THR H 1 90 ALA H . . 2.760 2.690 2.483 2.804 0.044 4 0 "[ . 1 . 2]" 1
1599 1 89 THR H 1 90 ALA MB . . 3.750 3.660 3.535 3.783 0.033 15 0 "[ . 1 . 2]" 1
1600 1 89 THR HA 1 89 THR MG . . 2.910 2.651 2.574 2.767 . 0 0 "[ . 1 . 2]" 1
1601 1 89 THR HA 1 90 ALA MB . . 4.540 4.551 4.498 4.607 0.067 18 0 "[ . 1 . 2]" 1
1602 1 89 THR HB 1 90 ALA H . . 4.760 4.688 4.657 4.723 . 0 0 "[ . 1 . 2]" 1
1603 1 89 THR MG 1 90 ALA H . . 4.220 4.150 4.072 4.215 . 0 0 "[ . 1 . 2]" 1
1604 1 90 ALA H 1 90 ALA MB . . 2.800 2.602 2.543 2.682 . 0 0 "[ . 1 . 2]" 1
1605 1 90 ALA H 1 91 THR H . . 4.730 4.386 4.309 4.420 . 0 0 "[ . 1 . 2]" 1
1606 1 90 ALA H 1 115 LEU QD . . 4.900 3.715 3.192 4.686 . 0 0 "[ . 1 . 2]" 1
1607 1 90 ALA MB 1 91 THR H . . 3.110 2.675 2.440 2.934 . 0 0 "[ . 1 . 2]" 1
1608 1 90 ALA MB 1 115 LEU HB2 . . 3.600 3.444 2.985 3.632 0.032 18 0 "[ . 1 . 2]" 1
1609 1 90 ALA MB 1 115 LEU QD . . 2.840 2.250 1.986 2.473 . 0 0 "[ . 1 . 2]" 1
1610 1 91 THR H 1 91 THR HB . . 3.450 2.925 2.713 3.096 . 0 0 "[ . 1 . 2]" 1
1611 1 91 THR H 1 91 THR MG . . 3.860 3.955 3.885 4.007 0.147 7 0 "[ . 1 . 2]" 1
1612 1 91 THR H 1 92 LEU H . . 4.800 4.363 4.274 4.442 . 0 0 "[ . 1 . 2]" 1
1613 1 91 THR H 1 115 LEU QD . . 4.730 3.159 2.738 3.615 . 0 0 "[ . 1 . 2]" 1
1614 1 91 THR HB 1 92 LEU H . . 3.850 3.882 3.799 3.960 0.110 17 0 "[ . 1 . 2]" 1
1615 1 91 THR HB 1 112 ARG QD . . 4.860 4.340 3.558 4.904 0.044 2 0 "[ . 1 . 2]" 1
1616 1 91 THR HB 1 115 LEU QD . . 5.500 4.417 4.049 5.052 . 0 0 "[ . 1 . 2]" 1
1617 1 91 THR MG 1 92 LEU H . . 3.130 2.363 1.912 2.735 . 0 0 "[ . 1 . 2]" 1
1618 1 91 THR MG 1 112 ARG QD . . 3.410 2.427 1.887 3.262 . 0 0 "[ . 1 . 2]" 1
1619 1 91 THR MG 1 113 LEU H . . 3.490 3.204 2.834 3.511 0.021 14 0 "[ . 1 . 2]" 1
1620 1 91 THR MG 1 114 GLY HA2 . . 4.000 2.686 2.102 3.132 . 0 0 "[ . 1 . 2]" 1
1621 1 91 THR MG 1 114 GLY HA3 . . 4.450 3.831 3.240 4.273 . 0 0 "[ . 1 . 2]" 1
1622 1 91 THR MG 1 115 LEU H . . 4.540 4.064 3.441 4.401 . 0 0 "[ . 1 . 2]" 1
1623 1 92 LEU H 1 92 LEU HB2 . . 4.140 3.077 2.791 3.254 . 0 0 "[ . 1 . 2]" 1
1624 1 92 LEU H 1 92 LEU HB3 . . 3.850 2.387 2.251 2.631 . 0 0 "[ . 1 . 2]" 1
1625 1 92 LEU H 1 92 LEU QD . . 4.310 3.582 3.273 3.840 . 0 0 "[ . 1 . 2]" 1
1626 1 92 LEU H 1 92 LEU HG . . 4.960 4.566 4.057 4.941 . 0 0 "[ . 1 . 2]" 1
1627 1 92 LEU H 1 113 LEU H . . 3.890 3.563 3.245 3.894 0.004 11 0 "[ . 1 . 2]" 1
1628 1 92 LEU H 1 113 LEU HB2 . . 4.930 3.773 3.439 4.039 . 0 0 "[ . 1 . 2]" 1
1629 1 92 LEU H 1 114 GLY HA2 . . 4.940 3.210 2.791 3.410 . 0 0 "[ . 1 . 2]" 1
1630 1 92 LEU H 1 114 GLY HA3 . . 4.990 4.867 4.451 5.054 0.064 17 0 "[ . 1 . 2]" 1
1631 1 92 LEU H 1 115 LEU QD . . 4.010 2.542 2.204 3.343 . 0 0 "[ . 1 . 2]" 1
1632 1 92 LEU H 1 115 LEU HG . . 4.470 4.026 2.943 4.572 0.102 17 0 "[ . 1 . 2]" 1
1633 1 92 LEU HA 1 92 LEU QD . . 3.030 2.066 1.866 2.469 . 0 0 "[ . 1 . 2]" 1
1634 1 92 LEU HA 1 93 THR H . . 3.090 2.232 2.177 2.349 . 0 0 "[ . 1 . 2]" 1
1635 1 92 LEU HA 1 115 LEU QD . . 4.740 3.445 3.274 3.536 . 0 0 "[ . 1 . 2]" 1
1636 1 92 LEU HB2 1 93 THR H . . 5.000 4.132 3.786 4.502 . 0 0 "[ . 1 . 2]" 1
1637 1 92 LEU HB2 1 113 LEU HB2 . . 4.410 4.356 4.168 4.457 0.047 8 0 "[ . 1 . 2]" 1
1638 1 92 LEU HB2 1 115 LEU QD . . 3.470 2.070 1.777 2.362 . 0 0 "[ . 1 . 2]" 1
1639 1 92 LEU HB2 1 115 LEU HG . . 4.560 3.528 2.960 3.916 . 0 0 "[ . 1 . 2]" 1
1640 1 92 LEU HB3 1 113 LEU H . . 4.760 4.128 3.349 4.547 . 0 0 "[ . 1 . 2]" 1
1641 1 92 LEU HB3 1 113 LEU HB2 . . 4.230 2.664 2.532 2.738 . 0 0 "[ . 1 . 2]" 1
1642 1 92 LEU HB3 1 113 LEU HB3 . . 4.520 3.960 3.723 4.213 . 0 0 "[ . 1 . 2]" 1
1643 1 92 LEU HB3 1 113 LEU QD . . 4.120 3.728 3.452 3.885 . 0 0 "[ . 1 . 2]" 1
1644 1 92 LEU HB3 1 113 LEU HG . . 4.940 4.897 4.658 4.991 0.051 12 0 "[ . 1 . 2]" 1
1645 1 92 LEU HB3 1 115 LEU QD . . 3.400 2.139 1.928 2.395 . 0 0 "[ . 1 . 2]" 1
1646 1 92 LEU QD 1 93 THR H . . 3.170 2.013 1.800 2.275 . 0 0 "[ . 1 . 2]" 1
1647 1 92 LEU QD 1 93 THR HB . . 4.730 3.927 3.702 4.250 . 0 0 "[ . 1 . 2]" 1
1648 1 92 LEU QD 1 113 LEU H . . 4.670 3.703 2.395 4.375 . 0 0 "[ . 1 . 2]" 1
1649 1 92 LEU QD 1 113 LEU HB2 . . 4.040 2.164 1.817 2.646 . 0 0 "[ . 1 . 2]" 1
1650 1 92 LEU QD 1 113 LEU HB3 . . 4.220 3.327 2.990 3.686 . 0 0 "[ . 1 . 2]" 1
1651 1 92 LEU QD 1 113 LEU QD . . 3.100 1.944 1.752 2.800 . 0 0 "[ . 1 . 2]" 1
1652 1 92 LEU HG 1 93 THR H . . 4.870 4.100 2.541 4.915 0.045 10 0 "[ . 1 . 2]" 1
1653 1 92 LEU HG 1 113 LEU QD . . 4.940 3.622 2.576 4.876 . 0 0 "[ . 1 . 2]" 1
1654 1 93 THR H 1 93 THR HB . . 3.510 2.504 2.303 2.796 . 0 0 "[ . 1 . 2]" 1
1655 1 93 THR H 1 93 THR MG . . 4.540 3.763 3.649 3.914 . 0 0 "[ . 1 . 2]" 1
1656 1 93 THR H 1 94 LEU H . . 4.630 4.160 3.740 4.421 . 0 0 "[ . 1 . 2]" 1
1657 1 93 THR HA 1 93 THR MG . . 2.990 2.514 2.411 2.593 . 0 0 "[ . 1 . 2]" 1
1658 1 93 THR HA 1 94 LEU H . . 3.020 2.166 2.150 2.212 . 0 0 "[ . 1 . 2]" 1
1659 1 93 THR HA 1 94 LEU HB2 . . 4.730 4.348 4.133 4.671 . 0 0 "[ . 1 . 2]" 1
1660 1 93 THR HA 1 111 LEU H . . 4.890 4.461 4.139 4.751 . 0 0 "[ . 1 . 2]" 1
1661 1 93 THR HB 1 94 LEU H . . 4.610 4.564 4.405 4.648 0.038 14 0 "[ . 1 . 2]" 1
1662 1 93 THR MG 1 94 LEU H . . 3.660 3.107 2.762 3.513 . 0 0 "[ . 1 . 2]" 1
1663 1 93 THR MG 1 95 THR H . . 4.820 4.749 4.467 4.852 0.032 11 0 "[ . 1 . 2]" 1
1664 1 93 THR MG 1 95 THR MG . . 3.110 2.889 2.446 3.133 0.023 12 0 "[ . 1 . 2]" 1
1665 1 93 THR MG 1 110 GLU HA . . 4.270 4.125 3.830 4.314 0.044 14 0 "[ . 1 . 2]" 1
1666 1 93 THR MG 1 110 GLU QB . . 3.990 3.553 2.845 3.835 . 0 0 "[ . 1 . 2]" 1
1667 1 93 THR MG 1 110 GLU HG2 . . 3.990 3.090 2.541 3.812 . 0 0 "[ . 1 . 2]" 1
1668 1 93 THR MG 1 110 GLU HG3 . . 3.920 2.970 1.978 4.125 0.205 16 0 "[ . 1 . 2]" 1
1669 1 93 THR MG 1 111 LEU H . . 3.700 3.383 2.826 3.757 0.057 14 0 "[ . 1 . 2]" 1
1670 1 93 THR MG 1 112 ARG H . . 4.920 4.737 4.441 4.956 0.036 19 0 "[ . 1 . 2]" 1
1671 1 93 THR MG 1 112 ARG HA . . 3.870 3.326 2.903 3.725 . 0 0 "[ . 1 . 2]" 1
1672 1 94 LEU H 1 94 LEU HB2 . . 3.820 2.236 2.033 2.526 . 0 0 "[ . 1 . 2]" 1
1673 1 94 LEU H 1 94 LEU HB3 . . 4.070 3.436 3.187 3.605 . 0 0 "[ . 1 . 2]" 1
1674 1 94 LEU H 1 94 LEU QD . . 4.210 2.842 2.384 3.434 . 0 0 "[ . 1 . 2]" 1
1675 1 94 LEU H 1 94 LEU HG . . 4.310 3.620 2.144 4.466 0.156 17 0 "[ . 1 . 2]" 1
1676 1 94 LEU H 1 111 LEU H . . 3.860 3.096 2.706 3.405 . 0 0 "[ . 1 . 2]" 1
1677 1 94 LEU H 1 111 LEU HB3 . . 4.510 3.220 2.924 3.549 . 0 0 "[ . 1 . 2]" 1
1678 1 94 LEU H 1 111 LEU QD . . 4.460 4.221 4.114 4.354 . 0 0 "[ . 1 . 2]" 1
1679 1 94 LEU H 1 112 ARG HA . . 4.020 3.325 2.862 3.851 . 0 0 "[ . 1 . 2]" 1
1680 1 94 LEU HA 1 94 LEU QD . . 3.030 2.096 1.916 2.578 . 0 0 "[ . 1 . 2]" 1
1681 1 94 LEU HA 1 94 LEU HG . . 3.920 2.815 2.542 3.179 . 0 0 "[ . 1 . 2]" 1
1682 1 94 LEU HA 1 95 THR H . . 3.160 2.276 2.184 2.343 . 0 0 "[ . 1 . 2]" 1
1683 1 94 LEU HA 1 95 THR MG . . 4.710 4.579 4.222 4.741 0.031 5 0 "[ . 1 . 2]" 1
1684 1 94 LEU HB2 1 95 THR H . . 5.090 4.211 3.919 4.564 . 0 0 "[ . 1 . 2]" 1
1685 1 94 LEU HB2 1 111 LEU H . . 4.880 3.217 2.695 3.656 . 0 0 "[ . 1 . 2]" 1
1686 1 94 LEU HB3 1 95 THR H . . 4.430 3.119 2.863 3.692 . 0 0 "[ . 1 . 2]" 1
1687 1 94 LEU QD 1 95 THR H . . 3.940 3.564 2.980 3.820 . 0 0 "[ . 1 . 2]" 1
1688 1 94 LEU QD 1 111 LEU HB2 . . 4.840 3.550 3.051 3.829 . 0 0 "[ . 1 . 2]" 1
1689 1 94 LEU QD 1 111 LEU HB3 . . 4.610 2.638 1.983 3.081 . 0 0 "[ . 1 . 2]" 1
1690 1 94 LEU QD 1 111 LEU QD . . 3.510 3.070 2.654 3.367 . 0 0 "[ . 1 . 2]" 1
1691 1 95 THR H 1 95 THR HB . . 3.890 3.423 3.272 3.639 . 0 0 "[ . 1 . 2]" 1
1692 1 95 THR H 1 95 THR MG . . 3.890 3.724 3.537 3.844 . 0 0 "[ . 1 . 2]" 1
1693 1 95 THR H 1 96 LEU H . . 4.980 4.271 4.162 4.411 . 0 0 "[ . 1 . 2]" 1
1694 1 95 THR HA 1 95 THR MG . . 3.180 2.168 2.023 2.240 . 0 0 "[ . 1 . 2]" 1
1695 1 95 THR HA 1 96 LEU H . . 3.180 2.191 2.150 2.273 . 0 0 "[ . 1 . 2]" 1
1696 1 95 THR HA 1 96 LEU HB2 . . 4.610 4.297 3.933 4.719 0.109 15 0 "[ . 1 . 2]" 1
1697 1 95 THR HA 1 107 VAL QG . . 4.400 2.833 2.227 3.147 . 0 0 "[ . 1 . 2]" 1
1698 1 95 THR HA 1 110 GLU HA . . 3.370 2.283 1.992 2.618 . 0 0 "[ . 1 . 2]" 1
1699 1 95 THR HA 1 111 LEU H . . 4.400 3.490 3.270 3.819 . 0 0 "[ . 1 . 2]" 1
1700 1 95 THR HA 1 130 LEU MD2 . . 4.130 3.684 3.393 4.152 0.022 13 0 "[ . 1 . 2]" 1
1701 1 95 THR HB 1 96 LEU H . . 4.150 3.622 3.218 3.934 . 0 0 "[ . 1 . 2]" 1
1702 1 95 THR HB 1 97 ARG H . . 4.710 4.391 4.325 4.486 . 0 0 "[ . 1 . 2]" 1
1703 1 95 THR HB 1 97 ARG QG . . 4.660 3.619 2.803 4.312 . 0 0 "[ . 1 . 2]" 1
1704 1 95 THR HB 1 107 VAL QG . . 3.690 2.622 1.917 3.220 . 0 0 "[ . 1 . 2]" 1
1705 1 95 THR MG 1 96 LEU H . . 3.630 3.308 2.951 3.619 . 0 0 "[ . 1 . 2]" 1
1706 1 95 THR MG 1 97 ARG HD2 . . 4.900 3.846 3.402 4.921 0.021 4 0 "[ . 1 . 2]" 1
1707 1 95 THR MG 1 97 ARG HD3 . . 4.900 4.871 4.519 4.934 0.034 16 0 "[ . 1 . 2]" 1
1708 1 95 THR MG 1 107 VAL HA . . 4.360 4.369 3.993 4.486 0.126 5 0 "[ . 1 . 2]" 1
1709 1 95 THR MG 1 107 VAL HB . . 4.510 3.048 2.547 3.861 . 0 0 "[ . 1 . 2]" 1
1710 1 95 THR MG 1 107 VAL QG . . 2.850 1.681 1.615 1.815 . 0 0 "[ . 1 . 2]" 1
1711 1 95 THR MG 1 109 GLY H . . 4.160 4.060 3.721 4.307 0.147 16 0 "[ . 1 . 2]" 1
1712 1 95 THR MG 1 110 GLU HA . . 3.440 2.518 1.962 2.934 . 0 0 "[ . 1 . 2]" 1
1713 1 95 THR MG 1 110 GLU QB . . 3.870 2.605 1.850 3.618 . 0 0 "[ . 1 . 2]" 1
1714 1 95 THR MG 1 110 GLU HG2 . . 3.830 3.178 2.015 3.958 0.128 5 0 "[ . 1 . 2]" 1
1715 1 95 THR MG 1 110 GLU HG3 . . 3.870 2.321 1.764 3.631 . 0 0 "[ . 1 . 2]" 1
1716 1 95 THR MG 1 111 LEU H . . 4.090 3.626 3.270 4.090 . 0 0 "[ . 1 . 2]" 1
1717 1 96 LEU H 1 96 LEU HB2 . . 3.830 2.713 2.247 3.087 . 0 0 "[ . 1 . 2]" 1
1718 1 96 LEU H 1 96 LEU HB3 . . 3.990 2.742 2.281 3.256 . 0 0 "[ . 1 . 2]" 1
1719 1 96 LEU H 1 96 LEU QD . . 4.240 3.810 3.690 3.904 . 0 0 "[ . 1 . 2]" 1
1720 1 96 LEU H 1 107 VAL QG . . 4.340 2.534 1.943 2.857 . 0 0 "[ . 1 . 2]" 1
1721 1 96 LEU H 1 108 ALA MB . . 4.480 4.055 3.931 4.246 . 0 0 "[ . 1 . 2]" 1
1722 1 96 LEU H 1 109 GLY H . . 4.240 2.752 2.400 3.088 . 0 0 "[ . 1 . 2]" 1
1723 1 96 LEU H 1 110 GLU HA . . 4.160 3.563 3.182 3.918 . 0 0 "[ . 1 . 2]" 1
1724 1 96 LEU H 1 130 LEU MD2 . . 4.450 3.444 3.140 3.679 . 0 0 "[ . 1 . 2]" 1
1725 1 96 LEU HA 1 96 LEU QD . . 3.320 2.301 1.858 2.601 . 0 0 "[ . 1 . 2]" 1
1726 1 96 LEU HA 1 97 ARG H . . 3.420 2.223 2.202 2.231 . 0 0 "[ . 1 . 2]" 1
1727 1 96 LEU HB2 1 97 ARG H . . 4.990 4.588 4.444 4.716 . 0 0 "[ . 1 . 2]" 1
1728 1 96 LEU HB2 1 108 ALA MB . . 3.500 3.798 3.459 4.091 0.591 19 9 "[ . -* 1** **** +2]" 1
1729 1 96 LEU HB2 1 109 GLY H . . 4.640 4.261 3.332 4.982 0.342 5 0 "[ . 1 . 2]" 1
1730 1 96 LEU HB2 1 130 LEU MD1 . . 3.680 2.614 2.042 2.994 . 0 0 "[ . 1 . 2]" 1
1731 1 96 LEU HB3 1 96 LEU QD . . 3.230 2.136 2.033 2.479 . 0 0 "[ . 1 . 2]" 1
1732 1 96 LEU HB3 1 97 ARG H . . 4.820 4.400 4.113 4.631 . 0 0 "[ . 1 . 2]" 1
1733 1 96 LEU HB3 1 108 ALA MB . . 4.000 2.499 2.031 2.833 . 0 0 "[ . 1 . 2]" 1
1734 1 96 LEU HB3 1 109 GLY H . . 4.970 3.375 2.887 3.941 . 0 0 "[ . 1 . 2]" 1
1735 1 96 LEU HB3 1 130 LEU MD1 . . 3.250 2.881 2.206 3.296 0.046 6 0 "[ . 1 . 2]" 1
1736 1 96 LEU QD 1 97 ARG H . . 3.370 3.164 2.545 3.363 . 0 0 "[ . 1 . 2]" 1
1737 1 96 LEU QD 1 108 ALA MB . . 3.570 2.694 2.149 3.284 . 0 0 "[ . 1 . 2]" 1
1738 1 96 LEU QD 1 130 LEU MD1 . . 3.780 1.988 1.762 2.348 . 0 0 "[ . 1 . 2]" 1
1739 1 96 LEU HG 1 97 ARG H . . 4.580 4.130 3.832 4.431 . 0 0 "[ . 1 . 2]" 1
1740 1 97 ARG H 1 97 ARG HD3 . . 4.830 3.618 3.149 4.408 . 0 0 "[ . 1 . 2]" 1
1741 1 97 ARG H 1 97 ARG QG . . 4.350 3.166 2.021 3.515 . 0 0 "[ . 1 . 2]" 1
1742 1 97 ARG H 1 108 ALA MB . . 4.980 4.421 4.276 4.727 . 0 0 "[ . 1 . 2]" 1
1743 1 97 ARG HA 1 97 ARG HD2 . . 4.840 4.057 3.420 4.803 . 0 0 "[ . 1 . 2]" 1
1744 1 97 ARG HA 1 97 ARG HD3 . . 4.790 4.402 4.116 4.875 0.085 4 0 "[ . 1 . 2]" 1
1745 1 97 ARG HA 1 97 ARG QG . . 3.550 2.203 2.037 2.737 . 0 0 "[ . 1 . 2]" 1
1746 1 97 ARG HA 1 98 THR H . . 3.400 2.445 2.290 2.572 . 0 0 "[ . 1 . 2]" 1
1747 1 97 ARG HA 1 98 THR MG . . 4.650 3.604 3.236 3.803 . 0 0 "[ . 1 . 2]" 1
1748 1 97 ARG HA 1 107 VAL HA . . 3.750 3.032 2.686 3.310 . 0 0 "[ . 1 . 2]" 1
1749 1 97 ARG HA 1 107 VAL QG . . 4.390 3.677 3.320 3.891 . 0 0 "[ . 1 . 2]" 1
1750 1 97 ARG HA 1 108 ALA H . . 3.880 2.514 2.340 2.795 . 0 0 "[ . 1 . 2]" 1
1751 1 97 ARG HA 1 108 ALA MB . . 4.370 3.071 2.846 3.528 . 0 0 "[ . 1 . 2]" 1
1752 1 97 ARG HB2 1 97 ARG HD2 . . 4.150 2.968 2.541 3.576 . 0 0 "[ . 1 . 2]" 1
1753 1 97 ARG HB2 1 97 ARG HD3 . . 4.110 2.317 2.034 3.959 . 0 0 "[ . 1 . 2]" 1
1754 1 97 ARG HB2 1 98 THR H . . 4.690 3.921 3.528 4.280 . 0 0 "[ . 1 . 2]" 1
1755 1 97 ARG HB3 1 97 ARG HD2 . . 3.910 3.818 2.363 4.097 0.187 14 0 "[ . 1 . 2]" 1
1756 1 97 ARG HB3 1 97 ARG HD3 . . 4.020 3.286 2.948 3.590 . 0 0 "[ . 1 . 2]" 1
1757 1 97 ARG HB3 1 98 THR H . . 3.980 2.678 2.321 3.154 . 0 0 "[ . 1 . 2]" 1
1758 1 97 ARG HD2 1 107 VAL QG . . 4.330 2.938 2.408 3.415 . 0 0 "[ . 1 . 2]" 1
1759 1 97 ARG HD3 1 107 VAL QG . . 4.490 3.868 3.446 4.203 . 0 0 "[ . 1 . 2]" 1
1760 1 97 ARG QG 1 98 THR H . . 4.880 3.659 3.219 4.523 . 0 0 "[ . 1 . 2]" 1
1761 1 97 ARG QG 1 107 VAL HA . . 3.610 2.690 2.083 3.625 0.015 4 0 "[ . 1 . 2]" 1
1762 1 97 ARG QG 1 107 VAL QG . . 3.040 2.368 2.025 2.955 . 0 0 "[ . 1 . 2]" 1
1763 1 97 ARG QG 1 108 ALA H . . 4.720 3.510 3.204 4.257 . 0 0 "[ . 1 . 2]" 1
1764 1 98 THR H 1 98 THR MG . . 3.900 2.849 2.533 3.141 . 0 0 "[ . 1 . 2]" 1
1765 1 98 THR H 1 107 VAL HA . . 4.710 4.537 4.171 4.763 0.053 20 0 "[ . 1 . 2]" 1
1766 1 98 THR H 1 108 ALA H . . 4.930 4.247 3.860 4.698 . 0 0 "[ . 1 . 2]" 1
1767 1 98 THR H 1 108 ALA MB . . 4.230 3.707 3.055 4.039 . 0 0 "[ . 1 . 2]" 1
1768 1 98 THR HA 1 98 THR MG . . 3.380 2.283 2.189 2.441 . 0 0 "[ . 1 . 2]" 1
1769 1 98 THR HA 1 99 CYS H . . 3.400 2.216 2.150 2.365 . 0 0 "[ . 1 . 2]" 1
1770 1 98 THR HB 1 99 CYS H . . 3.700 3.257 2.747 3.714 0.014 18 0 "[ . 1 . 2]" 1
1771 1 98 THR MG 1 99 CYS H . . 4.030 3.920 3.752 4.064 0.034 14 0 "[ . 1 . 2]" 1
1772 1 98 THR MG 1 108 ALA MB . . 3.030 2.106 1.859 2.367 . 0 0 "[ . 1 . 2]" 1
1773 1 99 CYS H 1 99 CYS HB2 . . 4.030 2.485 2.319 2.659 . 0 0 "[ . 1 . 2]" 1
1774 1 99 CYS HA 1 100 ASP H . . 3.370 2.447 2.220 3.515 0.145 5 0 "[ . 1 . 2]" 1
1775 1 99 CYS HB2 1 100 ASP H . . 4.710 4.266 3.376 4.667 . 0 0 "[ . 1 . 2]" 1
1776 1 99 CYS HB3 1 100 ASP H . . 4.650 4.035 1.944 4.547 . 0 0 "[ . 1 . 2]" 1
1777 1 100 ASP HA 1 101 ARG HA . . 4.810 4.360 4.287 4.811 0.001 13 0 "[ . 1 . 2]" 1
1778 1 100 ASP HA 1 102 PHE H . . 5.140 4.764 4.039 5.154 0.014 13 0 "[ . 1 . 2]" 1
1779 1 100 ASP HB2 1 101 ARG H . . 4.730 3.636 2.217 4.564 . 0 0 "[ . 1 . 2]" 1
1780 1 100 ASP HB3 1 101 ARG H . . 5.080 3.121 1.997 4.384 . 0 0 "[ . 1 . 2]" 1
1781 1 101 ARG H 1 101 ARG HG2 . . 4.900 4.174 1.943 4.914 0.014 6 0 "[ . 1 . 2]" 1
1782 1 101 ARG HA 1 101 ARG QD . . 4.130 3.729 2.678 4.191 0.061 12 0 "[ . 1 . 2]" 1
1783 1 101 ARG HA 1 101 ARG HG2 . . 4.230 3.046 2.164 3.804 . 0 0 "[ . 1 . 2]" 1
1784 1 101 ARG HB2 1 101 ARG QD . . 3.370 2.541 1.976 3.254 . 0 0 "[ . 1 . 2]" 1
1785 1 101 ARG HB2 1 102 PHE H . . 4.630 3.448 2.235 4.557 . 0 0 "[ . 1 . 2]" 1
1786 1 101 ARG HB3 1 101 ARG QD . . 3.310 2.514 1.989 3.314 0.004 7 0 "[ . 1 . 2]" 1
1787 1 101 ARG HB3 1 102 PHE H . . 4.930 2.489 1.965 4.684 . 0 0 "[ . 1 . 2]" 1
1788 1 101 ARG QD 1 102 PHE QE . . 4.430 2.914 1.996 4.076 . 0 0 "[ . 1 . 2]" 1
1789 1 101 ARG QD 1 102 PHE HZ . . 4.400 4.027 3.542 4.382 . 0 0 "[ . 1 . 2]" 1
1790 1 101 ARG HG2 1 102 PHE H . . 4.800 3.956 3.352 4.788 . 0 0 "[ . 1 . 2]" 1
1791 1 101 ARG HG2 1 102 PHE QD . . 4.670 3.301 2.375 4.677 0.007 9 0 "[ . 1 . 2]" 1
1792 1 101 ARG HG2 1 102 PHE QE . . 4.880 3.325 2.548 4.759 . 0 0 "[ . 1 . 2]" 1
1793 1 101 ARG HG3 1 102 PHE H . . 4.800 4.400 3.600 4.842 0.042 18 0 "[ . 1 . 2]" 1
1794 1 101 ARG HG3 1 102 PHE QD . . 4.630 4.183 3.190 4.671 0.041 12 0 "[ . 1 . 2]" 1
1795 1 101 ARG HG3 1 102 PHE QE . . 5.070 4.134 3.098 4.911 . 0 0 "[ . 1 . 2]" 1
1796 1 102 PHE H 1 102 PHE QB . . 3.830 2.497 2.144 3.290 . 0 0 "[ . 1 . 2]" 1
1797 1 102 PHE H 1 102 PHE QD . . 4.370 3.227 2.000 3.803 . 0 0 "[ . 1 . 2]" 1
1798 1 102 PHE H 1 103 SER H . . 3.660 2.320 1.901 3.705 0.045 18 0 "[ . 1 . 2]" 1
1799 1 102 PHE H 1 103 SER HA . . 4.480 4.106 3.901 4.268 . 0 0 "[ . 1 . 2]" 1
1800 1 102 PHE H 1 104 ARG H . . 4.320 4.008 3.186 4.440 0.120 9 0 "[ . 1 . 2]" 1
1801 1 102 PHE HA 1 102 PHE QD . . 4.290 2.545 2.116 3.599 . 0 0 "[ . 1 . 2]" 1
1802 1 102 PHE QB 1 104 ARG H . . 4.750 3.255 2.504 4.346 . 0 0 "[ . 1 . 2]" 1
1803 1 102 PHE QB 1 104 ARG HD3 . . 4.500 3.734 1.990 4.880 0.380 12 0 "[ . 1 . 2]" 1
1804 1 102 PHE QB 1 104 ARG QG . . 4.380 2.578 1.912 3.276 . 0 0 "[ . 1 . 2]" 1
1805 1 103 SER H 1 104 ARG H . . 3.800 2.863 2.329 3.685 . 0 0 "[ . 1 . 2]" 1
1806 1 103 SER HB2 1 104 ARG H . . 4.570 4.554 4.315 4.702 0.132 18 0 "[ . 1 . 2]" 1
1807 1 104 ARG H 1 104 ARG HB2 . . 3.740 2.702 2.139 3.761 0.021 9 0 "[ . 1 . 2]" 1
1808 1 104 ARG H 1 104 ARG HB3 . . 4.130 3.410 2.627 3.717 . 0 0 "[ . 1 . 2]" 1
1809 1 104 ARG H 1 104 ARG QG . . 4.100 2.487 1.943 3.337 . 0 0 "[ . 1 . 2]" 1
1810 1 104 ARG HB2 1 104 ARG HD2 . . 4.030 3.168 2.342 3.672 . 0 0 "[ . 1 . 2]" 1
1811 1 104 ARG HB3 1 104 ARG HD2 . . 3.990 3.433 1.981 4.228 0.238 19 0 "[ . 1 . 2]" 1
1812 1 104 ARG HB3 1 104 ARG HD3 . . 4.280 3.145 2.016 3.972 . 0 0 "[ . 1 . 2]" 1
1813 1 105 HIS H 1 105 HIS HD2 . . 4.860 3.676 2.023 4.783 . 0 0 "[ . 1 . 2]" 1
1814 1 105 HIS HA 1 106 SER H . . 3.290 2.594 2.189 3.587 0.297 9 0 "[ . 1 . 2]" 1
1815 1 105 HIS HB2 1 106 SER H . . 4.430 3.875 2.394 4.416 . 0 0 "[ . 1 . 2]" 1
1816 1 105 HIS HB3 1 106 SER H . . 4.130 3.065 2.131 4.434 0.304 4 0 "[ . 1 . 2]" 1
1817 1 106 SER H 1 106 SER HB3 . . 4.030 3.436 2.396 4.095 0.065 13 0 "[ . 1 . 2]" 1
1818 1 106 SER HB2 1 107 VAL H . . 4.390 2.976 1.986 4.394 0.004 4 0 "[ . 1 . 2]" 1
1819 1 106 SER HB2 1 107 VAL QG . . 4.850 4.022 3.076 4.695 . 0 0 "[ . 1 . 2]" 1
1820 1 106 SER HB3 1 107 VAL H . . 4.430 2.652 1.969 3.520 . 0 0 "[ . 1 . 2]" 1
1821 1 106 SER HB3 1 107 VAL QG . . 4.790 3.757 2.485 4.658 . 0 0 "[ . 1 . 2]" 1
1822 1 107 VAL H 1 107 VAL HB . . 4.150 3.248 2.144 3.860 . 0 0 "[ . 1 . 2]" 1
1823 1 107 VAL H 1 107 VAL QG . . 4.100 2.364 1.849 3.153 . 0 0 "[ . 1 . 2]" 1
1824 1 107 VAL H 1 108 ALA H . . 4.760 4.453 3.899 4.654 . 0 0 "[ . 1 . 2]" 1
1825 1 107 VAL HA 1 107 VAL QG . . 3.160 2.251 2.064 2.413 . 0 0 "[ . 1 . 2]" 1
1826 1 107 VAL HA 1 108 ALA H . . 3.150 2.391 2.182 2.585 . 0 0 "[ . 1 . 2]" 1
1827 1 107 VAL HA 1 108 ALA MB . . 4.010 3.983 3.889 4.078 0.068 13 0 "[ . 1 . 2]" 1
1828 1 107 VAL HA 1 109 GLY H . . 4.270 3.855 3.416 4.128 . 0 0 "[ . 1 . 2]" 1
1829 1 107 VAL QG 1 108 ALA H . . 3.480 2.880 1.924 3.169 . 0 0 "[ . 1 . 2]" 1
1830 1 107 VAL QG 1 108 ALA HA . . 4.180 3.981 3.715 4.136 . 0 0 "[ . 1 . 2]" 1
1831 1 107 VAL QG 1 109 GLY H . . 3.020 1.870 1.697 2.142 . 0 0 "[ . 1 . 2]" 1
1832 1 107 VAL QG 1 109 GLY HA2 . . 3.450 3.004 2.844 3.447 . 0 0 "[ . 1 . 2]" 1
1833 1 107 VAL QG 1 109 GLY HA3 . . 4.420 3.661 3.562 3.794 . 0 0 "[ . 1 . 2]" 1
1834 1 107 VAL QG 1 110 GLU H . . 4.550 3.215 2.930 3.618 . 0 0 "[ . 1 . 2]" 1
1835 1 107 VAL QG 1 110 GLU HA . . 4.760 2.931 2.677 3.160 . 0 0 "[ . 1 . 2]" 1
1836 1 107 VAL QG 1 110 GLU QB . . 3.980 2.640 1.989 3.508 . 0 0 "[ . 1 . 2]" 1
1837 1 107 VAL QG 1 110 GLU HG2 . . 4.940 3.933 2.740 4.822 . 0 0 "[ . 1 . 2]" 1
1838 1 107 VAL QG 1 110 GLU HG3 . . 4.870 3.158 1.758 4.493 . 0 0 "[ . 1 . 2]" 1
1839 1 108 ALA H 1 108 ALA MB . . 3.080 2.113 2.018 2.194 . 0 0 "[ . 1 . 2]" 1
1840 1 108 ALA H 1 109 GLY H . . 3.560 2.487 2.297 2.679 . 0 0 "[ . 1 . 2]" 1
1841 1 108 ALA MB 1 109 GLY H . . 3.390 3.054 2.737 3.304 . 0 0 "[ . 1 . 2]" 1
1842 1 108 ALA MB 1 109 GLY HA2 . . 4.670 4.554 4.406 4.659 . 0 0 "[ . 1 . 2]" 1
1843 1 109 GLY H 1 110 GLU H . . 4.750 4.026 3.850 4.278 . 0 0 "[ . 1 . 2]" 1
1844 1 109 GLY H 1 130 LEU MD1 . . 4.770 4.238 3.572 4.626 . 0 0 "[ . 1 . 2]" 1
1845 1 109 GLY H 1 132 THR MG . . 4.710 4.255 4.000 4.528 . 0 0 "[ . 1 . 2]" 1
1846 1 109 GLY HA2 1 110 GLU H . . 3.460 2.235 2.199 2.389 . 0 0 "[ . 1 . 2]" 1
1847 1 109 GLY HA2 1 110 GLU HA . . 4.680 4.356 4.344 4.409 . 0 0 "[ . 1 . 2]" 1
1848 1 109 GLY HA2 1 110 GLU QB . . 4.990 4.070 3.890 4.354 . 0 0 "[ . 1 . 2]" 1
1849 1 109 GLY HA2 1 130 LEU HA . . 5.020 4.926 4.534 5.538 0.518 5 1 "[ + 1 . 2]" 1
1850 1 109 GLY HA2 1 130 LEU HB2 . . 4.160 4.131 3.398 4.762 0.602 5 1 "[ + 1 . 2]" 1
1851 1 109 GLY HA2 1 130 LEU HB3 . . 3.820 2.802 2.355 3.374 . 0 0 "[ . 1 . 2]" 1
1852 1 109 GLY HA2 1 130 LEU MD1 . . 3.870 3.805 3.275 4.349 0.479 18 0 "[ . 1 . 2]" 1
1853 1 109 GLY HA2 1 130 LEU MD2 . . 3.870 3.752 3.213 4.010 0.140 18 0 "[ . 1 . 2]" 1
1854 1 109 GLY HA2 1 131 LYS H . . 5.080 4.480 3.800 4.853 . 0 0 "[ . 1 . 2]" 1
1855 1 109 GLY HA2 1 132 THR HA . . 3.920 2.124 1.985 2.432 . 0 0 "[ . 1 . 2]" 1
1856 1 109 GLY HA2 1 132 THR HB . . 4.860 3.697 3.077 4.050 . 0 0 "[ . 1 . 2]" 1
1857 1 109 GLY HA2 1 132 THR MG . . 3.510 2.138 1.980 2.370 . 0 0 "[ . 1 . 2]" 1
1858 1 109 GLY HA3 1 110 GLU H . . 3.310 3.174 2.882 3.310 0.000 1 0 "[ . 1 . 2]" 1
1859 1 109 GLY HA3 1 130 LEU HB2 . . 4.750 3.176 2.665 3.627 . 0 0 "[ . 1 . 2]" 1
1860 1 109 GLY HA3 1 130 LEU HB3 . . 4.090 2.033 1.942 2.433 . 0 0 "[ . 1 . 2]" 1
1861 1 109 GLY HA3 1 130 LEU MD1 . . 4.410 2.327 1.858 2.843 . 0 0 "[ . 1 . 2]" 1
1862 1 109 GLY HA3 1 130 LEU MD2 . . 4.540 2.792 2.257 3.028 . 0 0 "[ . 1 . 2]" 1
1863 1 109 GLY HA3 1 132 THR HA . . 3.740 3.770 3.699 3.925 0.185 18 0 "[ . 1 . 2]" 1
1864 1 109 GLY HA3 1 132 THR MG . . 3.820 2.607 1.973 3.341 . 0 0 "[ . 1 . 2]" 1
1865 1 110 GLU H 1 110 GLU HG2 . . 3.870 4.280 3.930 4.800 0.930 20 8 "[ * .** 1 * *-* +]" 1
1866 1 110 GLU H 1 110 GLU HG3 . . 4.790 4.224 3.494 4.832 0.042 18 0 "[ . 1 . 2]" 1
1867 1 110 GLU H 1 111 LEU H . . 4.770 4.466 4.313 4.549 . 0 0 "[ . 1 . 2]" 1
1868 1 110 GLU H 1 130 LEU HA . . 4.460 4.063 3.362 4.492 0.032 1 0 "[ . 1 . 2]" 1
1869 1 110 GLU H 1 130 LEU HB2 . . 5.030 4.750 4.092 5.033 0.003 5 0 "[ . 1 . 2]" 1
1870 1 110 GLU H 1 130 LEU HB3 . . 3.950 3.100 2.596 3.347 . 0 0 "[ . 1 . 2]" 1
1871 1 110 GLU H 1 130 LEU MD1 . . 4.820 4.715 4.315 4.841 0.021 8 0 "[ . 1 . 2]" 1
1872 1 110 GLU H 1 130 LEU MD2 . . 3.470 3.354 2.664 3.500 0.030 2 0 "[ . 1 . 2]" 1
1873 1 110 GLU H 1 132 THR HA . . 4.320 2.745 1.943 3.312 . 0 0 "[ . 1 . 2]" 1
1874 1 110 GLU H 1 132 THR MG . . 4.250 3.506 3.004 3.804 . 0 0 "[ . 1 . 2]" 1
1875 1 110 GLU HA 1 110 GLU HG3 . . 4.160 2.565 2.037 3.798 . 0 0 "[ . 1 . 2]" 1
1876 1 110 GLU HA 1 111 LEU H . . 2.980 2.277 2.205 2.385 . 0 0 "[ . 1 . 2]" 1
1877 1 110 GLU HA 1 111 LEU HB2 . . 4.710 4.057 3.933 4.155 . 0 0 "[ . 1 . 2]" 1
1878 1 110 GLU HA 1 130 LEU MD2 . . 3.590 3.134 2.820 3.399 . 0 0 "[ . 1 . 2]" 1
1879 1 110 GLU QB 1 111 LEU H . . 4.040 3.427 2.718 3.751 . 0 0 "[ . 1 . 2]" 1
1880 1 110 GLU HG2 1 111 LEU H . . 4.840 3.516 2.636 4.633 . 0 0 "[ . 1 . 2]" 1
1881 1 110 GLU HG3 1 111 LEU H . . 4.570 3.280 2.157 4.202 . 0 0 "[ . 1 . 2]" 1
1882 1 111 LEU H 1 111 LEU HB2 . . 4.180 2.677 2.391 3.053 . 0 0 "[ . 1 . 2]" 1
1883 1 111 LEU H 1 111 LEU HB3 . . 3.890 3.103 2.868 3.289 . 0 0 "[ . 1 . 2]" 1
1884 1 111 LEU H 1 111 LEU QD . . 4.550 3.806 3.620 4.006 . 0 0 "[ . 1 . 2]" 1
1885 1 111 LEU H 1 111 LEU HG . . 4.990 4.626 4.173 5.077 0.087 19 0 "[ . 1 . 2]" 1
1886 1 111 LEU H 1 112 ARG H . . 4.680 4.244 3.808 4.521 . 0 0 "[ . 1 . 2]" 1
1887 1 111 LEU H 1 130 LEU MD2 . . 3.790 3.345 2.902 3.690 . 0 0 "[ . 1 . 2]" 1
1888 1 111 LEU HB2 1 112 ARG H . . 4.600 4.484 4.247 4.671 0.071 20 0 "[ . 1 . 2]" 1
1889 1 111 LEU HB2 1 130 LEU HA . . 4.350 3.334 3.083 3.552 . 0 0 "[ . 1 . 2]" 1
1890 1 111 LEU HB2 1 130 LEU MD2 . . 2.710 2.022 1.826 2.304 . 0 0 "[ . 1 . 2]" 1
1891 1 111 LEU HB2 1 131 LYS H . . 4.850 4.364 4.116 4.725 . 0 0 "[ . 1 . 2]" 1
1892 1 111 LEU HB3 1 111 LEU QD . . 3.080 2.295 1.986 2.563 . 0 0 "[ . 1 . 2]" 1
1893 1 111 LEU HB3 1 112 ARG H . . 4.590 3.811 3.174 4.339 . 0 0 "[ . 1 . 2]" 1
1894 1 111 LEU HB3 1 130 LEU HA . . 4.690 4.731 4.588 4.856 0.166 20 0 "[ . 1 . 2]" 1
1895 1 111 LEU HB3 1 130 LEU MD2 . . 3.750 3.454 3.187 3.741 . 0 0 "[ . 1 . 2]" 1
1896 1 111 LEU QD 1 112 ARG H . . 3.320 2.301 2.018 2.537 . 0 0 "[ . 1 . 2]" 1
1897 1 111 LEU QD 1 112 ARG HA . . 4.440 4.017 3.767 4.257 . 0 0 "[ . 1 . 2]" 1
1898 1 111 LEU QD 1 113 LEU QD . . 3.520 2.033 1.766 2.236 . 0 0 "[ . 1 . 2]" 1
1899 1 111 LEU QD 1 113 LEU HG . . 4.530 2.974 2.326 4.215 . 0 0 "[ . 1 . 2]" 1
1900 1 111 LEU QD 1 128 GLY H . . 4.530 3.545 3.139 3.750 . 0 0 "[ . 1 . 2]" 1
1901 1 111 LEU QD 1 128 GLY HA2 . . 4.020 3.312 3.082 3.628 . 0 0 "[ . 1 . 2]" 1
1902 1 111 LEU QD 1 128 GLY HA3 . . 3.830 2.320 1.956 2.623 . 0 0 "[ . 1 . 2]" 1
1903 1 111 LEU QD 1 129 GLU H . . 4.200 2.922 2.107 3.469 . 0 0 "[ . 1 . 2]" 1
1904 1 111 LEU QD 1 129 GLU QB . . 4.660 3.773 3.447 4.092 . 0 0 "[ . 1 . 2]" 1
1905 1 111 LEU QD 1 130 LEU HA . . 4.030 1.994 1.797 2.444 . 0 0 "[ . 1 . 2]" 1
1906 1 111 LEU QD 1 131 LYS H . . 4.490 3.450 2.953 3.862 . 0 0 "[ . 1 . 2]" 1
1907 1 111 LEU QD 1 131 LYS HG2 . . 4.720 3.753 2.942 5.054 0.334 16 0 "[ . 1 . 2]" 1
1908 1 112 ARG H 1 112 ARG HB2 . . 3.530 2.850 2.137 3.370 . 0 0 "[ . 1 . 2]" 1
1909 1 112 ARG H 1 112 ARG HB3 . . 3.570 2.538 2.196 3.271 . 0 0 "[ . 1 . 2]" 1
1910 1 112 ARG H 1 112 ARG QD . . 4.450 4.450 4.287 4.595 0.145 17 0 "[ . 1 . 2]" 1
1911 1 112 ARG H 1 112 ARG HG3 . . 4.030 4.324 4.031 4.692 0.662 17 4 "[ - *. * . + 2]" 1
1912 1 112 ARG H 1 113 LEU H . . 4.640 4.537 4.363 4.634 . 0 0 "[ . 1 . 2]" 1
1913 1 112 ARG H 1 113 LEU QD . . 4.350 3.829 2.785 4.233 . 0 0 "[ . 1 . 2]" 1
1914 1 112 ARG HA 1 112 ARG QD . . 4.260 2.889 2.044 4.130 . 0 0 "[ . 1 . 2]" 1
1915 1 112 ARG HA 1 112 ARG HG2 . . 3.910 3.400 2.184 3.921 0.011 11 0 "[ . 1 . 2]" 1
1916 1 112 ARG HA 1 112 ARG HG3 . . 3.840 3.101 2.202 3.554 . 0 0 "[ . 1 . 2]" 1
1917 1 112 ARG HA 1 113 LEU H . . 2.970 2.319 2.242 2.420 . 0 0 "[ . 1 . 2]" 1
1918 1 112 ARG HA 1 113 LEU HB2 . . 4.950 4.600 4.506 4.682 . 0 0 "[ . 1 . 2]" 1
1919 1 112 ARG HA 1 113 LEU QD . . 4.490 3.959 2.503 4.230 . 0 0 "[ . 1 . 2]" 1
1920 1 112 ARG HA 1 113 LEU HG . . 4.640 3.772 3.421 5.365 0.725 17 2 "[ . 1 . + -]" 1
1921 1 112 ARG HB2 1 112 ARG QD . . 3.300 2.552 1.955 3.396 0.096 12 0 "[ . 1 . 2]" 1
1922 1 112 ARG HB2 1 113 LEU H . . 4.500 4.080 3.847 4.351 . 0 0 "[ . 1 . 2]" 1
1923 1 112 ARG HB3 1 112 ARG QD . . 3.780 2.887 2.190 3.410 . 0 0 "[ . 1 . 2]" 1
1924 1 112 ARG HB3 1 113 LEU H . . 4.640 4.007 3.280 4.400 . 0 0 "[ . 1 . 2]" 1
1925 1 112 ARG QD 1 113 LEU H . . 4.810 2.820 1.860 4.681 . 0 0 "[ . 1 . 2]" 1
1926 1 112 ARG HG2 1 113 LEU H . . 4.610 3.691 2.463 4.494 . 0 0 "[ . 1 . 2]" 1
1927 1 112 ARG HG3 1 113 LEU H . . 4.550 3.054 2.099 4.602 0.052 4 0 "[ . 1 . 2]" 1
1928 1 113 LEU H 1 113 LEU HB2 . . 3.600 2.872 2.672 2.988 . 0 0 "[ . 1 . 2]" 1
1929 1 113 LEU H 1 113 LEU HB3 . . 4.120 3.884 3.771 3.942 . 0 0 "[ . 1 . 2]" 1
1930 1 113 LEU H 1 113 LEU QD . . 4.040 3.443 2.024 3.685 . 0 0 "[ . 1 . 2]" 1
1931 1 113 LEU H 1 113 LEU HG . . 4.010 3.268 2.989 4.276 0.266 20 0 "[ . 1 . 2]" 1
1932 1 113 LEU HA 1 113 LEU QD . . 3.140 2.005 1.933 2.285 . 0 0 "[ . 1 . 2]" 1
1933 1 113 LEU HA 1 113 LEU HG . . 4.050 3.190 3.081 3.814 . 0 0 "[ . 1 . 2]" 1
1934 1 113 LEU HA 1 114 GLY H . . 3.030 2.575 2.559 2.595 . 0 0 "[ . 1 . 2]" 1
1935 1 113 LEU HA 1 120 VAL QG . . 4.230 2.666 2.060 2.970 . 0 0 "[ . 1 . 2]" 1
1936 1 113 LEU HB2 1 113 LEU QD . . 3.090 2.260 2.148 2.323 . 0 0 "[ . 1 . 2]" 1
1937 1 113 LEU HB2 1 114 GLY H . . 4.550 3.374 3.288 3.441 . 0 0 "[ . 1 . 2]" 1
1938 1 113 LEU HB3 1 113 LEU QD . . 3.050 2.164 2.103 2.321 . 0 0 "[ . 1 . 2]" 1
1939 1 113 LEU HB3 1 114 GLY H . . 4.050 2.303 2.259 2.335 . 0 0 "[ . 1 . 2]" 1
1940 1 113 LEU HB3 1 114 GLY HA3 . . 4.630 4.733 4.664 4.778 0.148 1 0 "[ . 1 . 2]" 1
1941 1 113 LEU HB3 1 120 VAL QG . . 3.850 1.949 1.725 2.287 . 0 0 "[ . 1 . 2]" 1
1942 1 113 LEU QD 1 114 GLY H . . 3.690 3.415 3.267 3.525 . 0 0 "[ . 1 . 2]" 1
1943 1 113 LEU QD 1 119 SER HB2 . . 4.700 4.302 3.910 4.601 . 0 0 "[ . 1 . 2]" 1
1944 1 113 LEU QD 1 119 SER HB3 . . 4.770 3.827 3.466 4.508 . 0 0 "[ . 1 . 2]" 1
1945 1 113 LEU QD 1 120 VAL HB . . 3.780 3.365 2.350 3.653 . 0 0 "[ . 1 . 2]" 1
1946 1 113 LEU QD 1 120 VAL QG . . 2.750 1.856 1.623 2.178 . 0 0 "[ . 1 . 2]" 1
1947 1 113 LEU HG 1 120 VAL QG . . 4.370 3.746 2.931 4.072 . 0 0 "[ . 1 . 2]" 1
1948 1 114 GLY H 1 115 LEU H . . 4.550 4.443 4.328 4.504 . 0 0 "[ . 1 . 2]" 1
1949 1 114 GLY H 1 120 VAL QG . . 4.070 2.012 1.775 2.412 . 0 0 "[ . 1 . 2]" 1
1950 1 114 GLY HA2 1 115 LEU H . . 3.040 2.313 2.209 2.440 . 0 0 "[ . 1 . 2]" 1
1951 1 114 GLY HA2 1 115 LEU QD . . 3.940 2.786 2.256 3.803 . 0 0 "[ . 1 . 2]" 1
1952 1 114 GLY HA2 1 115 LEU HG . . 5.500 4.615 3.453 5.409 . 0 0 "[ . 1 . 2]" 1
1953 1 114 GLY HA2 1 116 ASP H . . 4.570 3.865 3.424 4.172 . 0 0 "[ . 1 . 2]" 1
1954 1 114 GLY HA3 1 115 LEU H . . 3.390 3.007 2.817 3.232 . 0 0 "[ . 1 . 2]" 1
1955 1 114 GLY HA3 1 115 LEU HA . . 4.610 4.521 4.444 4.630 0.020 17 0 "[ . 1 . 2]" 1
1956 1 114 GLY HA3 1 116 ASP H . . 4.510 3.613 3.080 4.076 . 0 0 "[ . 1 . 2]" 1
1957 1 115 LEU H 1 115 LEU HB2 . . 3.460 2.774 2.613 2.992 . 0 0 "[ . 1 . 2]" 1
1958 1 115 LEU H 1 115 LEU QD . . 3.740 2.280 1.817 3.174 . 0 0 "[ . 1 . 2]" 1
1959 1 115 LEU H 1 115 LEU HG . . 4.230 3.403 2.220 4.136 . 0 0 "[ . 1 . 2]" 1
1960 1 115 LEU H 1 116 ASP H . . 3.330 2.189 1.882 2.760 . 0 0 "[ . 1 . 2]" 1
1961 1 115 LEU H 1 116 ASP HA . . 4.640 4.523 4.313 4.732 0.092 17 0 "[ . 1 . 2]" 1
1962 1 115 LEU HA 1 115 LEU QD . . 2.840 2.113 1.953 2.294 . 0 0 "[ . 1 . 2]" 1
1963 1 115 LEU HA 1 115 LEU HG . . 3.950 3.617 3.231 3.864 . 0 0 "[ . 1 . 2]" 1
1964 1 115 LEU HA 1 117 GLY H . . 4.510 3.516 3.020 3.883 . 0 0 "[ . 1 . 2]" 1
1965 1 115 LEU HA 1 122 LEU MD1 . . 4.560 4.126 3.451 4.535 . 0 0 "[ . 1 . 2]" 1
1966 1 115 LEU HA 1 122 LEU MD2 . . 4.010 3.418 3.116 3.825 . 0 0 "[ . 1 . 2]" 1
1967 1 115 LEU HB2 1 115 LEU QD . . 2.980 2.171 2.026 2.392 . 0 0 "[ . 1 . 2]" 1
1968 1 115 LEU HB3 1 115 LEU QD . . 2.840 2.327 2.070 2.521 . 0 0 "[ . 1 . 2]" 1
1969 1 115 LEU HB3 1 116 ASP H . . 4.940 4.339 4.027 4.679 . 0 0 "[ . 1 . 2]" 1
1970 1 115 LEU QD 1 116 ASP H . . 4.740 3.624 3.065 4.367 . 0 0 "[ . 1 . 2]" 1
1971 1 116 ASP H 1 116 ASP QB . . 3.700 2.520 2.110 2.985 . 0 0 "[ . 1 . 2]" 1
1972 1 116 ASP H 1 117 GLY H . . 3.750 2.581 2.053 2.920 . 0 0 "[ . 1 . 2]" 1
1973 1 116 ASP H 1 118 THR H . . 4.750 4.056 3.275 4.739 . 0 0 "[ . 1 . 2]" 1
1974 1 116 ASP QB 1 118 THR H . . 4.980 3.984 3.063 4.558 . 0 0 "[ . 1 . 2]" 1
1975 1 117 GLY H 1 118 THR H . . 3.610 2.231 1.884 3.045 . 0 0 "[ . 1 . 2]" 1
1976 1 117 GLY HA2 1 122 LEU H . . 4.440 4.399 4.167 4.526 0.086 15 0 "[ . 1 . 2]" 1
1977 1 117 GLY HA2 1 122 LEU MD1 . . 4.050 4.073 4.039 4.148 0.098 6 0 "[ . 1 . 2]" 1
1978 1 117 GLY HA2 1 122 LEU MD2 . . 4.880 4.697 4.528 4.893 0.013 17 0 "[ . 1 . 2]" 1
1979 1 117 GLY HA2 1 122 LEU HG . . 4.240 3.612 3.456 3.841 . 0 0 "[ . 1 . 2]" 1
1980 1 117 GLY HA3 1 122 LEU MD1 . . 4.240 4.117 3.954 4.211 . 0 0 "[ . 1 . 2]" 1
1981 1 117 GLY HA3 1 122 LEU HG . . 4.540 4.485 4.302 4.566 0.026 8 0 "[ . 1 . 2]" 1
1982 1 118 THR H 1 118 THR HB . . 3.630 2.477 2.271 3.511 . 0 0 "[ . 1 . 2]" 1
1983 1 118 THR H 1 118 THR MG . . 3.670 3.529 1.854 3.831 0.161 17 0 "[ . 1 . 2]" 1
1984 1 118 THR H 1 119 SER H . . 3.580 2.761 2.303 2.909 . 0 0 "[ . 1 . 2]" 1
1985 1 118 THR H 1 119 SER HB2 . . 5.060 4.281 4.111 4.527 . 0 0 "[ . 1 . 2]" 1
1986 1 118 THR H 1 120 VAL H . . 4.550 3.490 2.453 4.099 . 0 0 "[ . 1 . 2]" 1
1987 1 118 THR HA 1 118 THR MG . . 2.950 2.644 2.529 3.241 0.291 6 0 "[ . 1 . 2]" 1
1988 1 118 THR HB 1 119 SER H . . 4.260 2.340 2.102 3.781 . 0 0 "[ . 1 . 2]" 1
1989 1 118 THR MG 1 119 SER H . . 4.980 2.211 1.754 2.407 . 0 0 "[ . 1 . 2]" 1
1990 1 118 THR MG 1 119 SER HA . . 4.440 2.935 2.805 3.965 . 0 0 "[ . 1 . 2]" 1
1991 1 119 SER H 1 119 SER HB2 . . 4.180 2.459 2.251 2.653 . 0 0 "[ . 1 . 2]" 1
1992 1 119 SER H 1 120 VAL H . . 3.780 3.095 2.684 3.312 . 0 0 "[ . 1 . 2]" 1
1993 1 119 SER HA 1 120 VAL QG . . 4.380 4.044 3.824 4.435 0.055 17 0 "[ . 1 . 2]" 1
1994 1 119 SER HB2 1 120 VAL H . . 4.360 2.371 2.006 2.957 . 0 0 "[ . 1 . 2]" 1
1995 1 119 SER HB2 1 120 VAL QG . . 3.930 2.579 2.295 3.001 . 0 0 "[ . 1 . 2]" 1
1996 1 119 SER HB3 1 120 VAL H . . 4.130 3.199 2.731 3.649 . 0 0 "[ . 1 . 2]" 1
1997 1 119 SER HB3 1 120 VAL HA . . 4.710 4.598 4.343 4.727 0.017 14 0 "[ . 1 . 2]" 1
1998 1 119 SER HB3 1 120 VAL QG . . 3.900 2.747 2.383 3.402 . 0 0 "[ . 1 . 2]" 1
1999 1 120 VAL H 1 120 VAL HB . . 3.660 3.560 3.351 3.744 0.084 15 0 "[ . 1 . 2]" 1
2000 1 120 VAL H 1 120 VAL QG . . 3.430 1.978 1.860 2.122 . 0 0 "[ . 1 . 2]" 1
2001 1 120 VAL H 1 121 PRO HD2 . . 4.630 4.996 4.918 5.028 0.398 2 0 "[ . 1 . 2]" 1
2002 1 120 VAL HA 1 120 VAL QG . . 2.960 2.196 2.021 2.472 . 0 0 "[ . 1 . 2]" 1
2003 1 120 VAL HA 1 121 PRO HD2 . . 2.910 2.455 2.342 2.516 . 0 0 "[ . 1 . 2]" 1
2004 1 120 VAL HA 1 121 PRO HD3 . . 3.040 1.916 1.913 1.927 . 0 0 "[ . 1 . 2]" 1
2005 1 120 VAL HA 1 121 PRO HG2 . . 4.410 4.460 4.395 4.498 0.088 7 0 "[ . 1 . 2]" 1
2006 1 120 VAL HA 1 121 PRO HG3 . . 4.280 4.186 4.181 4.195 . 0 0 "[ . 1 . 2]" 1
2007 1 120 VAL HB 1 121 PRO HD2 . . 4.470 3.098 2.719 3.861 . 0 0 "[ . 1 . 2]" 1
2008 1 120 VAL HB 1 121 PRO HD3 . . 4.340 3.855 3.673 4.174 . 0 0 "[ . 1 . 2]" 1
2009 1 120 VAL HB 1 126 GLN QG . . 3.390 3.341 2.981 3.502 0.112 20 0 "[ . 1 . 2]" 1
2010 1 120 VAL QG 1 121 PRO HD2 . . 3.570 2.624 1.915 3.091 . 0 0 "[ . 1 . 2]" 1
2011 1 120 VAL QG 1 121 PRO HG2 . . 5.500 4.415 3.674 4.824 . 0 0 "[ . 1 . 2]" 1
2012 1 120 VAL QG 1 126 GLN HB2 . . 4.940 3.439 2.690 4.364 . 0 0 "[ . 1 . 2]" 1
2013 1 120 VAL QG 1 126 GLN HE21 . . 4.140 3.265 2.154 4.259 0.119 4 0 "[ . 1 . 2]" 1
2014 1 120 VAL QG 1 126 GLN HE22 . . 4.350 3.787 2.996 4.360 0.010 13 0 "[ . 1 . 2]" 1
2015 1 120 VAL QG 1 126 GLN QG . . 3.620 2.323 1.879 2.855 . 0 0 "[ . 1 . 2]" 1
2016 1 121 PRO HA 1 122 LEU H . . 2.740 2.472 2.441 2.482 . 0 0 "[ . 1 . 2]" 1
2017 1 121 PRO HA 1 122 LEU MD2 . . 4.720 4.700 4.600 4.789 0.069 6 0 "[ . 1 . 2]" 1
2018 1 121 PRO HA 1 124 ALA MB . . 4.430 4.419 4.384 4.465 0.035 17 0 "[ . 1 . 2]" 1
2019 1 121 PRO HB2 1 122 LEU H . . 3.970 2.622 2.597 2.697 . 0 0 "[ . 1 . 2]" 1
2020 1 121 PRO HB2 1 124 ALA H . . 4.600 4.383 4.262 4.532 . 0 0 "[ . 1 . 2]" 1
2021 1 121 PRO HB2 1 124 ALA MB . . 3.250 2.520 2.441 2.593 . 0 0 "[ . 1 . 2]" 1
2022 1 121 PRO HB3 1 122 LEU H . . 3.720 3.355 3.342 3.391 . 0 0 "[ . 1 . 2]" 1
2023 1 121 PRO HB3 1 124 ALA MB . . 3.810 3.857 3.824 3.892 0.082 9 0 "[ . 1 . 2]" 1
2024 1 121 PRO HD2 1 124 ALA MB . . 4.290 3.209 3.059 3.327 . 0 0 "[ . 1 . 2]" 1
2025 1 121 PRO HD3 1 124 ALA MB . . 4.120 4.293 4.208 4.393 0.273 17 0 "[ . 1 . 2]" 1
2026 1 121 PRO HG2 1 122 LEU H . . 4.910 4.652 4.632 4.715 . 0 0 "[ . 1 . 2]" 1
2027 1 121 PRO HG2 1 124 ALA MB . . 3.690 2.010 1.928 2.090 . 0 0 "[ . 1 . 2]" 1
2028 1 121 PRO HG3 1 122 LEU H . . 4.980 5.158 5.142 5.207 0.227 15 0 "[ . 1 . 2]" 1
2029 1 121 PRO HG3 1 124 ALA MB . . 3.480 3.434 3.390 3.481 0.001 6 0 "[ . 1 . 2]" 1
2030 1 122 LEU H 1 122 LEU HB2 . . 2.990 2.336 2.316 2.375 . 0 0 "[ . 1 . 2]" 1
2031 1 122 LEU H 1 122 LEU HB3 . . 3.640 3.571 3.558 3.593 . 0 0 "[ . 1 . 2]" 1
2032 1 122 LEU H 1 122 LEU MD1 . . 3.740 3.770 3.615 3.826 0.086 14 0 "[ . 1 . 2]" 1
2033 1 122 LEU H 1 122 LEU MD2 . . 4.060 3.950 3.892 4.015 . 0 0 "[ . 1 . 2]" 1
2034 1 122 LEU H 1 122 LEU HG . . 3.380 2.934 2.861 3.028 . 0 0 "[ . 1 . 2]" 1
2035 1 122 LEU H 1 123 GLY H . . 4.900 4.579 4.560 4.586 . 0 0 "[ . 1 . 2]" 1
2036 1 122 LEU HA 1 122 LEU MD1 . . 3.770 3.863 3.854 3.887 0.117 6 0 "[ . 1 . 2]" 1
2037 1 122 LEU HA 1 122 LEU MD2 . . 2.870 2.228 2.113 2.403 . 0 0 "[ . 1 . 2]" 1
2038 1 122 LEU HA 1 122 LEU HG . . 3.350 2.854 2.795 2.897 . 0 0 "[ . 1 . 2]" 1
2039 1 122 LEU HA 1 123 GLY H . . 3.130 2.386 2.364 2.427 . 0 0 "[ . 1 . 2]" 1
2040 1 122 LEU HA 1 123 GLY HA2 . . 4.470 4.481 4.466 4.492 0.022 15 0 "[ . 1 . 2]" 1
2041 1 122 LEU HA 1 123 GLY HA3 . . 4.530 4.577 4.563 4.607 0.077 6 0 "[ . 1 . 2]" 1
2042 1 122 LEU HA 1 124 ALA H . . 4.010 3.133 3.065 3.227 . 0 0 "[ . 1 . 2]" 1
2043 1 122 LEU HB2 1 122 LEU MD1 . . 3.640 2.279 2.112 2.344 . 0 0 "[ . 1 . 2]" 1
2044 1 122 LEU HB2 1 123 GLY H . . 4.310 3.934 3.817 3.987 . 0 0 "[ . 1 . 2]" 1
2045 1 122 LEU HB3 1 122 LEU MD1 . . 3.040 2.423 2.385 2.551 . 0 0 "[ . 1 . 2]" 1
2046 1 122 LEU HB3 1 122 LEU MD2 . . 3.030 2.239 2.139 2.294 . 0 0 "[ . 1 . 2]" 1
2047 1 122 LEU HB3 1 123 GLY H . . 4.240 2.681 2.571 2.740 . 0 0 "[ . 1 . 2]" 1
2048 1 122 LEU HB3 1 123 GLY HA3 . . 4.930 4.112 4.096 4.135 . 0 0 "[ . 1 . 2]" 1
2049 1 122 LEU HB3 1 124 ALA H . . 4.850 4.754 4.690 4.845 . 0 0 "[ . 1 . 2]" 1
2050 1 122 LEU MD1 1 123 GLY H . . 4.610 4.658 4.633 4.704 0.094 6 0 "[ . 1 . 2]" 1
2051 1 122 LEU MD2 1 123 GLY H . . 3.700 3.089 2.980 3.199 . 0 0 "[ . 1 . 2]" 1
2052 1 122 LEU MD2 1 123 GLY HA3 . . 5.030 5.228 5.149 5.296 0.266 6 0 "[ . 1 . 2]" 1
2053 1 122 LEU MD2 1 124 ALA H . . 4.910 4.692 4.624 4.863 . 0 0 "[ . 1 . 2]" 1
2054 1 122 LEU HG 1 123 GLY H . . 4.840 4.803 4.755 4.844 0.004 11 0 "[ . 1 . 2]" 1
2055 1 123 GLY H 1 124 ALA H . . 3.370 2.751 2.716 2.808 . 0 0 "[ . 1 . 2]" 1
2056 1 123 GLY H 1 124 ALA MB . . 4.790 4.524 4.454 4.583 . 0 0 "[ . 1 . 2]" 1
2057 1 124 ALA H 1 124 ALA MB . . 3.010 2.465 2.349 2.548 . 0 0 "[ . 1 . 2]" 1
2058 1 124 ALA H 1 125 ALA H . . 4.530 4.021 3.932 4.497 . 0 0 "[ . 1 . 2]" 1
2059 1 124 ALA H 1 125 ALA MB . . 4.980 5.031 4.947 5.155 0.175 17 0 "[ . 1 . 2]" 1
2060 1 124 ALA HA 1 125 ALA H . . 3.270 2.231 2.191 2.388 . 0 0 "[ . 1 . 2]" 1
2061 1 124 ALA HA 1 125 ALA MB . . 4.140 3.954 3.815 4.007 . 0 0 "[ . 1 . 2]" 1
2062 1 124 ALA MB 1 125 ALA H . . 3.850 3.510 2.719 3.578 . 0 0 "[ . 1 . 2]" 1
2063 1 124 ALA MB 1 126 GLN HE21 . . 4.340 3.054 2.056 3.998 . 0 0 "[ . 1 . 2]" 1
2064 1 124 ALA MB 1 126 GLN HE22 . . 3.850 3.120 2.031 4.363 0.513 11 1 "[ . 1+ . 2]" 1
2065 1 124 ALA MB 1 126 GLN QG . . 4.110 3.619 3.107 4.164 0.054 18 0 "[ . 1 . 2]" 1
2066 1 125 ALA H 1 125 ALA MB . . 3.420 2.069 1.965 2.431 . 0 0 "[ . 1 . 2]" 1
2067 1 125 ALA HA 1 126 GLN H . . 3.120 2.216 2.187 2.279 . 0 0 "[ . 1 . 2]" 1
2068 1 125 ALA HA 1 126 GLN QG . . 4.370 3.429 3.149 3.914 . 0 0 "[ . 1 . 2]" 1
2069 1 125 ALA MB 1 126 GLN H . . 3.430 3.191 2.945 3.459 0.029 17 0 "[ . 1 . 2]" 1
2070 1 126 GLN H 1 126 GLN HB2 . . 4.150 3.233 2.718 3.784 . 0 0 "[ . 1 . 2]" 1
2071 1 126 GLN H 1 126 GLN QG . . 3.720 2.381 1.900 2.914 . 0 0 "[ . 1 . 2]" 1
2072 1 126 GLN H 1 127 TRP H . . 4.740 4.433 4.355 4.491 . 0 0 "[ . 1 . 2]" 1
2073 1 126 GLN HA 1 126 GLN QG . . 3.440 2.997 2.500 3.457 0.017 17 0 "[ . 1 . 2]" 1
2074 1 126 GLN HA 1 127 TRP H . . 2.940 2.410 2.290 2.658 . 0 0 "[ . 1 . 2]" 1
2075 1 126 GLN HA 1 127 TRP HB2 . . 4.570 4.364 4.227 4.526 . 0 0 "[ . 1 . 2]" 1
2076 1 126 GLN HA 1 127 TRP HD1 . . 5.180 4.090 3.508 4.753 . 0 0 "[ . 1 . 2]" 1
2077 1 126 GLN HB2 1 126 GLN QG . . 2.650 2.207 2.179 2.348 . 0 0 "[ . 1 . 2]" 1
2078 1 126 GLN HB2 1 127 TRP H . . 4.010 3.249 2.549 3.860 . 0 0 "[ . 1 . 2]" 1
2079 1 126 GLN HB3 1 127 TRP H . . 3.790 3.152 2.262 3.907 0.117 16 0 "[ . 1 . 2]" 1
2080 1 126 GLN HE22 1 126 GLN QG . . 3.790 3.257 3.231 3.495 . 0 0 "[ . 1 . 2]" 1
2081 1 127 TRP H 1 127 TRP HB2 . . 3.490 2.288 2.177 2.494 . 0 0 "[ . 1 . 2]" 1
2082 1 127 TRP H 1 127 TRP HB3 . . 4.190 3.503 3.418 3.575 . 0 0 "[ . 1 . 2]" 1
2083 1 127 TRP H 1 127 TRP HD1 . . 4.040 3.427 2.643 4.054 0.014 13 0 "[ . 1 . 2]" 1
2084 1 127 TRP HA 1 127 TRP HE3 . . 3.800 3.103 2.703 3.823 0.023 16 0 "[ . 1 . 2]" 1
2085 1 127 TRP HA 1 128 GLY H . . 3.260 2.355 2.220 2.590 . 0 0 "[ . 1 . 2]" 1
2086 1 127 TRP HA 1 128 GLY HA3 . . 4.970 4.447 4.328 4.649 . 0 0 "[ . 1 . 2]" 1
2087 1 127 TRP HB2 1 128 GLY H . . 4.930 4.421 3.752 4.685 . 0 0 "[ . 1 . 2]" 1
2088 1 127 TRP HB3 1 127 TRP HE3 . . 4.090 2.588 2.360 2.777 . 0 0 "[ . 1 . 2]" 1
2089 1 127 TRP HB3 1 128 GLY H . . 4.670 3.616 2.395 4.403 . 0 0 "[ . 1 . 2]" 1
2090 1 127 TRP HE3 1 128 GLY H . . 4.540 3.751 2.790 4.554 0.014 20 0 "[ . 1 . 2]" 1
2091 1 128 GLY H 1 129 GLU H . . 3.500 4.477 4.121 4.665 1.165 20 20 [*******-***********+] 1
2092 1 128 GLY HA2 1 129 GLU H . . 3.120 2.321 2.212 2.543 . 0 0 "[ . 1 . 2]" 1
2093 1 128 GLY HA3 1 129 GLU H . . 3.440 3.003 2.698 3.218 . 0 0 "[ . 1 . 2]" 1
2094 1 128 GLY HA3 1 129 GLU QB . . 4.900 4.862 4.675 4.993 0.093 1 0 "[ . 1 . 2]" 1
2095 1 129 GLU H 1 129 GLU QB . . 3.050 2.188 2.048 2.447 . 0 0 "[ . 1 . 2]" 1
2096 1 129 GLU H 1 129 GLU HG3 . . 4.100 4.032 3.415 4.668 0.568 13 2 "[ . - 1 + . 2]" 1
2097 1 129 GLU H 1 130 LEU H . . 4.780 4.529 4.280 4.645 . 0 0 "[ . 1 . 2]" 1
2098 1 129 GLU HA 1 129 GLU HG2 . . 3.850 3.110 2.821 3.407 . 0 0 "[ . 1 . 2]" 1
2099 1 129 GLU HA 1 129 GLU HG3 . . 3.940 2.216 1.980 2.773 . 0 0 "[ . 1 . 2]" 1
2100 1 129 GLU HA 1 130 LEU H . . 3.130 2.274 2.207 2.426 . 0 0 "[ . 1 . 2]" 1
2101 1 129 GLU HA 1 130 LEU HB2 . . 4.860 4.578 4.405 4.743 . 0 0 "[ . 1 . 2]" 1
2102 1 129 GLU HA 1 131 LYS QE . . 4.900 4.786 4.574 4.985 0.085 16 0 "[ . 1 . 2]" 1
2103 1 129 GLU QB 1 129 GLU HG2 . . 2.740 2.263 2.179 2.417 . 0 0 "[ . 1 . 2]" 1
2104 1 129 GLU QB 1 129 GLU HG3 . . 2.720 2.508 2.374 2.570 . 0 0 "[ . 1 . 2]" 1
2105 1 129 GLU QB 1 130 LEU H . . 4.100 3.386 2.824 3.834 . 0 0 "[ . 1 . 2]" 1
2106 1 129 GLU QB 1 131 LYS QE . . 3.840 2.953 2.230 3.570 . 0 0 "[ . 1 . 2]" 1
2107 1 129 GLU HG2 1 130 LEU H . . 4.190 3.613 2.665 4.205 0.015 18 0 "[ . 1 . 2]" 1
2108 1 129 GLU HG3 1 130 LEU H . . 4.210 3.391 2.383 4.082 . 0 0 "[ . 1 . 2]" 1
2109 1 130 LEU H 1 130 LEU HB2 . . 3.830 2.343 2.224 2.566 . 0 0 "[ . 1 . 2]" 1
2110 1 130 LEU H 1 130 LEU HB3 . . 4.160 3.526 3.483 3.542 . 0 0 "[ . 1 . 2]" 1
2111 1 130 LEU H 1 130 LEU MD1 . . 4.220 3.468 3.185 3.620 . 0 0 "[ . 1 . 2]" 1
2112 1 130 LEU H 1 130 LEU MD2 . . 3.940 3.685 3.435 3.961 0.021 17 0 "[ . 1 . 2]" 1
2113 1 130 LEU H 1 130 LEU HG . . 3.770 2.457 1.976 2.809 . 0 0 "[ . 1 . 2]" 1
2114 1 130 LEU H 1 131 LYS H . . 5.030 4.591 4.513 4.634 . 0 0 "[ . 1 . 2]" 1
2115 1 130 LEU HA 1 130 LEU MD1 . . 4.090 3.881 3.829 3.959 . 0 0 "[ . 1 . 2]" 1
2116 1 130 LEU HA 1 130 LEU MD2 . . 3.000 2.237 2.086 2.366 . 0 0 "[ . 1 . 2]" 1
2117 1 130 LEU HA 1 130 LEU HG . . 3.910 2.862 2.739 3.023 . 0 0 "[ . 1 . 2]" 1
2118 1 130 LEU HA 1 131 LYS H . . 3.080 2.213 2.177 2.241 . 0 0 "[ . 1 . 2]" 1
2119 1 130 LEU HA 1 131 LYS QB . . 4.470 4.361 4.253 4.482 0.012 15 0 "[ . 1 . 2]" 1
2120 1 130 LEU HB2 1 130 LEU MD1 . . 3.410 2.214 2.129 2.289 . 0 0 "[ . 1 . 2]" 1
2121 1 130 LEU HB2 1 131 LYS H . . 4.250 4.278 4.214 4.370 0.120 16 0 "[ . 1 . 2]" 1
2122 1 130 LEU HB2 1 132 THR MG . . 4.750 2.943 2.219 3.404 . 0 0 "[ . 1 . 2]" 1
2123 1 130 LEU HB3 1 130 LEU MD1 . . 3.470 2.476 2.415 2.557 . 0 0 "[ . 1 . 2]" 1
2124 1 130 LEU HB3 1 130 LEU MD2 . . 3.060 2.237 2.177 2.323 . 0 0 "[ . 1 . 2]" 1
2125 1 130 LEU HB3 1 131 LYS H . . 4.220 3.260 3.127 3.541 . 0 0 "[ . 1 . 2]" 1
2126 1 130 LEU HB3 1 132 THR MG . . 4.860 2.710 1.970 3.541 . 0 0 "[ . 1 . 2]" 1
2127 1 130 LEU MD2 1 131 LYS H . . 4.040 3.381 3.027 3.899 . 0 0 "[ . 1 . 2]" 1
2128 1 131 LYS H 1 131 LYS QB . . 3.360 2.375 2.284 2.460 . 0 0 "[ . 1 . 2]" 1
2129 1 131 LYS H 1 131 LYS QD . . 4.630 3.835 2.053 4.341 . 0 0 "[ . 1 . 2]" 1
2130 1 131 LYS H 1 131 LYS HG2 . . 4.100 2.900 2.052 4.245 0.145 6 0 "[ . 1 . 2]" 1
2131 1 131 LYS H 1 131 LYS HG3 . . 4.150 3.628 2.799 4.007 . 0 0 "[ . 1 . 2]" 1
2132 1 131 LYS HA 1 131 LYS QD . . 4.520 2.550 1.981 3.942 . 0 0 "[ . 1 . 2]" 1
2133 1 131 LYS HA 1 131 LYS HG2 . . 3.920 2.931 2.728 3.438 . 0 0 "[ . 1 . 2]" 1
2134 1 131 LYS HA 1 132 THR MG . . 4.790 3.950 3.181 4.179 . 0 0 "[ . 1 . 2]" 1
2135 1 131 LYS QB 1 131 LYS QE . . 3.870 3.517 3.336 3.722 . 0 0 "[ . 1 . 2]" 1
2136 1 131 LYS QD 1 131 LYS HG2 . . 2.640 2.511 2.248 2.571 . 0 0 "[ . 1 . 2]" 1
2137 1 131 LYS QD 1 131 LYS HG3 . . 2.720 2.248 2.179 2.534 . 0 0 "[ . 1 . 2]" 1
2138 1 131 LYS QE 1 131 LYS HG2 . . 3.440 2.183 1.972 2.743 . 0 0 "[ . 1 . 2]" 1
2139 1 131 LYS QE 1 131 LYS HG3 . . 3.540 2.882 2.132 3.184 . 0 0 "[ . 1 . 2]" 1
2140 1 132 THR HA 1 132 THR MG . . 3.130 2.440 2.315 2.640 . 0 0 "[ . 1 . 2]" 1
2141 1 132 THR HB 1 133 SER H . . 5.050 3.326 1.959 4.050 . 0 0 "[ . 1 . 2]" 1
2142 1 134 GLY HA2 1 135 PRO HD3 . . 3.030 2.239 1.958 2.903 . 0 0 "[ . 1 . 2]" 1
2143 1 134 GLY HA3 1 135 PRO HD3 . . 2.990 2.863 2.171 3.255 0.265 13 0 "[ . 1 . 2]" 1
2144 1 134 GLY HA3 1 135 PRO QG . . 4.960 4.336 3.890 4.641 . 0 0 "[ . 1 . 2]" 1
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