Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597531 | 2n88 RC | 25837 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n88
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 759
_Distance_constraint_stats_list.Viol_count 438
_Distance_constraint_stats_list.Viol_total 370.405
_Distance_constraint_stats_list.Viol_max 1.794
_Distance_constraint_stats_list.Viol_rms 0.0534
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0940
_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 2 LEU 0.357 0.184 4 0 "[ . ]"
1 3 GLU 0.405 0.184 4 0 "[ . ]"
1 4 TYR 0.822 0.233 9 0 "[ . ]"
1 5 ALA 0.835 0.233 9 0 "[ . ]"
1 6 VAL 0.508 0.113 9 0 "[ . ]"
1 7 ALA 1.478 0.201 1 0 "[ . ]"
1 8 GLU 0.765 0.120 1 0 "[ . ]"
1 9 SER 0.069 0.069 1 0 "[ . ]"
1 10 VAL 0.426 0.109 7 0 "[ . ]"
1 11 ILE 1.941 0.164 3 0 "[ . ]"
1 12 GLY 0.569 0.072 8 0 "[ . ]"
1 13 LYS 0.520 0.137 9 0 "[ . ]"
1 14 ARG 0.655 0.128 1 0 "[ . ]"
1 15 VAL 0.176 0.044 4 0 "[ . ]"
1 16 GLY 0.806 0.137 9 0 "[ . ]"
1 17 ASP 0.170 0.170 4 0 "[ . ]"
1 18 ASP 0.170 0.170 4 0 "[ . ]"
1 19 GLY 0.000 0.000 . 0 "[ . ]"
1 20 LYS 0.296 0.122 2 0 "[ . ]"
1 21 THR 0.876 0.137 9 0 "[ . ]"
1 22 ILE 0.195 0.061 9 0 "[ . ]"
1 23 GLU 1.070 0.184 4 0 "[ . ]"
1 24 TYR 3.695 0.184 4 0 "[ . ]"
1 25 LEU 2.509 0.168 2 0 "[ . ]"
1 26 VAL 0.743 0.108 8 0 "[ . ]"
1 27 LYS 13.223 1.794 2 7 "[-+**. ***]"
1 28 TRP 2.252 0.201 1 0 "[ . ]"
1 29 THR 2.160 0.653 8 2 "[ . +-]"
1 30 ASP 0.172 0.075 9 0 "[ . ]"
1 31 MET 1.230 0.653 8 2 "[ . +-]"
1 32 SER 0.000 0.000 . 0 "[ . ]"
1 33 ASP 0.000 0.000 . 0 "[ . ]"
1 34 ALA 13.264 1.794 2 7 "[-+**. ***]"
1 35 THR 0.958 0.125 5 0 "[ . ]"
1 36 TRP 1.349 0.155 5 0 "[ . ]"
1 37 GLU 3.235 0.449 7 0 "[ . ]"
1 38 PRO 1.751 0.421 3 0 "[ . ]"
1 39 GLN 1.222 0.194 7 0 "[ . ]"
1 40 ASP 0.247 0.194 7 0 "[ . ]"
1 41 ASN 1.043 0.449 7 0 "[ . ]"
1 42 VAL 1.872 0.128 8 0 "[ . ]"
1 43 ASP 0.000 0.000 . 0 "[ . ]"
1 44 SER 0.658 0.079 5 0 "[ . ]"
1 45 THR 0.574 0.079 5 0 "[ . ]"
1 46 LEU 0.119 0.084 7 0 "[ . ]"
1 47 VAL 5.149 1.087 9 5 "[* * .* -+]"
1 48 LEU 3.744 1.087 9 4 "[* .* -+]"
1 49 LEU 1.746 1.059 3 1 "[ + . ]"
1 50 TYR 0.647 0.121 3 0 "[ . ]"
1 51 GLN 0.575 0.103 5 0 "[ . ]"
1 52 GLN 0.513 0.103 5 0 "[ . ]"
1 53 GLN 0.006 0.006 2 0 "[ . ]"
1 54 GLN 0.696 0.320 9 0 "[ . ]"
1 55 PRO 1.172 0.124 4 0 "[ . ]"
1 56 MET 0.916 0.124 4 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU H 1 2 LEU QB . . 3.190 2.516 2.322 3.246 0.056 6 0 "[ . ]" 1
2 1 2 LEU H 1 2 LEU QD . . 5.180 2.758 1.787 3.792 . 0 0 "[ . ]" 1
3 1 2 LEU H 1 3 GLU H . . 4.710 3.408 2.338 4.411 . 0 0 "[ . ]" 1
4 1 2 LEU HA 1 2 LEU QD . . 3.430 2.056 1.832 2.922 . 0 0 "[ . ]" 1
5 1 2 LEU HA 1 3 GLU H . . 3.330 2.658 2.159 3.514 0.184 4 0 "[ . ]" 1
6 1 2 LEU QB 1 4 TYR H . . 4.850 3.942 2.226 4.915 0.065 1 0 "[ . ]" 1
7 1 3 GLU H 1 3 GLU QB . . 3.440 2.704 2.480 3.341 . 0 0 "[ . ]" 1
8 1 3 GLU H 1 3 GLU QG . . 4.200 2.379 2.008 2.906 . 0 0 "[ . ]" 1
9 1 3 GLU H 1 4 TYR H . . 4.370 2.751 1.964 4.426 0.056 1 0 "[ . ]" 1
10 1 3 GLU QB 1 4 TYR H . . 3.960 3.271 2.366 3.879 . 0 0 "[ . ]" 1
11 1 3 GLU QB 1 4 TYR QD . . 4.300 3.435 2.773 4.356 0.056 6 0 "[ . ]" 1
12 1 3 GLU QB 1 4 TYR QE . . 4.420 3.893 3.164 4.458 0.038 2 0 "[ . ]" 1
13 1 3 GLU QG 1 4 TYR H . . 4.780 3.876 2.409 4.790 0.010 9 0 "[ . ]" 1
14 1 3 GLU QG 1 4 TYR QD . . 4.900 4.098 2.616 4.929 0.029 9 0 "[ . ]" 1
15 1 4 TYR H 1 4 TYR QB . . 3.430 2.741 2.433 3.412 . 0 0 "[ . ]" 1
16 1 4 TYR H 1 4 TYR QD . . 4.160 3.199 2.566 3.761 . 0 0 "[ . ]" 1
17 1 4 TYR H 1 4 TYR QE . . 5.450 4.909 4.572 5.189 . 0 0 "[ . ]" 1
18 1 4 TYR HA 1 4 TYR QD . . 3.670 2.697 2.192 2.953 . 0 0 "[ . ]" 1
19 1 4 TYR HA 1 4 TYR QE . . 4.730 4.575 4.433 4.646 . 0 0 "[ . ]" 1
20 1 4 TYR HA 1 5 ALA H . . 3.120 2.505 2.177 2.887 . 0 0 "[ . ]" 1
21 1 4 TYR QB 1 5 ALA H . . 3.840 2.431 1.849 3.707 . 0 0 "[ . ]" 1
22 1 4 TYR QB 1 5 ALA MB . . 4.160 3.830 3.356 4.393 0.233 9 0 "[ . ]" 1
23 1 4 TYR HB2 1 5 ALA H . . 4.470 3.508 2.636 4.461 . 0 0 "[ . ]" 1
24 1 4 TYR HB2 1 5 ALA MB . . 4.970 4.545 3.678 5.050 0.080 1 0 "[ . ]" 1
25 1 4 TYR HB3 1 5 ALA H . . 4.470 2.506 1.889 3.962 . 0 0 "[ . ]" 1
26 1 4 TYR HB3 1 5 ALA MB . . 4.970 4.184 3.615 5.064 0.094 9 0 "[ . ]" 1
27 1 5 ALA H 1 5 ALA MB . . 3.200 2.606 2.230 2.940 . 0 0 "[ . ]" 1
28 1 5 ALA H 1 6 VAL H . . 4.650 4.044 3.085 4.581 . 0 0 "[ . ]" 1
29 1 5 ALA HA 1 6 VAL H . . 2.930 2.207 2.124 2.307 . 0 0 "[ . ]" 1
30 1 5 ALA HA 1 28 TRP HB3 . . 4.710 3.766 2.813 4.755 0.045 1 0 "[ . ]" 1
31 1 5 ALA MB 1 6 VAL H . . 3.530 3.105 2.641 3.601 0.071 5 0 "[ . ]" 1
32 1 5 ALA MB 1 28 TRP HB2 . . 4.150 3.551 2.887 4.108 . 0 0 "[ . ]" 1
33 1 5 ALA MB 1 28 TRP HB3 . . 5.030 2.611 1.868 3.285 . 0 0 "[ . ]" 1
34 1 5 ALA MB 1 28 TRP HE3 . . 3.620 2.517 2.240 2.862 . 0 0 "[ . ]" 1
35 1 5 ALA MB 1 28 TRP HZ3 . . 4.190 3.487 2.620 4.232 0.042 9 0 "[ . ]" 1
36 1 5 ALA MB 1 29 THR H . . 4.990 4.410 2.944 5.133 0.143 7 0 "[ . ]" 1
37 1 6 VAL H 1 6 VAL HB . . 3.650 2.650 2.530 2.779 . 0 0 "[ . ]" 1
38 1 6 VAL H 1 6 VAL QG . . 3.290 2.558 2.358 2.704 . 0 0 "[ . ]" 1
39 1 6 VAL H 1 7 ALA H . . 4.380 4.272 4.036 4.405 0.025 8 0 "[ . ]" 1
40 1 6 VAL H 1 28 TRP HB2 . . 5.120 5.016 4.441 5.233 0.113 9 0 "[ . ]" 1
41 1 6 VAL H 1 28 TRP HE3 . . 4.750 3.088 2.575 3.252 . 0 0 "[ . ]" 1
42 1 6 VAL H 1 29 THR H . . 4.890 3.087 2.463 3.485 . 0 0 "[ . ]" 1
43 1 6 VAL HA 1 6 VAL QG . . 2.870 2.137 2.121 2.145 . 0 0 "[ . ]" 1
44 1 6 VAL HA 1 7 ALA H . . 3.140 2.162 2.129 2.212 . 0 0 "[ . ]" 1
45 1 6 VAL HA 1 7 ALA MB . . 4.130 3.996 3.973 4.016 . 0 0 "[ . ]" 1
46 1 6 VAL HA 1 28 TRP HE3 . . 4.580 2.915 2.622 3.187 . 0 0 "[ . ]" 1
47 1 6 VAL HA 1 28 TRP HZ3 . . 3.900 3.086 2.742 3.409 . 0 0 "[ . ]" 1
48 1 6 VAL HB 1 7 ALA H . . 4.460 4.240 3.942 4.391 . 0 0 "[ . ]" 1
49 1 6 VAL HB 1 29 THR HB . . 4.320 3.659 3.450 3.950 . 0 0 "[ . ]" 1
50 1 6 VAL QG 1 7 ALA H . . 3.610 2.817 2.395 3.170 . 0 0 "[ . ]" 1
51 1 6 VAL QG 1 28 TRP HE3 . . 4.800 3.974 3.807 4.118 . 0 0 "[ . ]" 1
52 1 6 VAL QG 1 28 TRP HZ3 . . 4.440 4.191 3.882 4.464 0.024 7 0 "[ . ]" 1
53 1 6 VAL QG 1 29 THR H . . 5.110 4.023 3.785 4.314 . 0 0 "[ . ]" 1
54 1 6 VAL QG 1 29 THR HB . . 4.110 4.071 3.789 4.162 0.052 9 0 "[ . ]" 1
55 1 7 ALA H 1 7 ALA MB . . 3.410 2.219 2.213 2.226 . 0 0 "[ . ]" 1
56 1 7 ALA H 1 8 GLU H . . 4.910 4.446 4.390 4.518 . 0 0 "[ . ]" 1
57 1 7 ALA H 1 28 TRP HH2 . . 4.580 4.408 4.336 4.504 . 0 0 "[ . ]" 1
58 1 7 ALA H 1 28 TRP HZ2 . . 5.500 5.628 5.558 5.701 0.201 1 0 "[ . ]" 1
59 1 7 ALA H 1 28 TRP HZ3 . . 4.320 2.775 2.654 2.971 . 0 0 "[ . ]" 1
60 1 7 ALA HA 1 8 GLU H . . 3.110 2.136 2.117 2.149 . 0 0 "[ . ]" 1
61 1 7 ALA HA 1 9 SER H . . 4.390 4.098 3.950 4.223 . 0 0 "[ . ]" 1
62 1 7 ALA HA 1 26 VAL MG2 . . 5.490 5.425 5.280 5.534 0.044 1 0 "[ . ]" 1
63 1 7 ALA HA 1 28 TRP HA . . 3.460 2.099 1.796 2.318 . 0 0 "[ . ]" 1
64 1 7 ALA HA 1 28 TRP HE3 . . 3.740 3.323 3.088 3.546 . 0 0 "[ . ]" 1
65 1 7 ALA HA 1 28 TRP HZ3 . . 4.630 4.593 4.546 4.648 0.018 8 0 "[ . ]" 1
66 1 7 ALA HA 1 29 THR H . . 3.990 3.750 3.581 4.029 0.039 9 0 "[ . ]" 1
67 1 7 ALA MB 1 8 GLU H . . 3.910 3.268 3.162 3.335 . 0 0 "[ . ]" 1
68 1 7 ALA MB 1 8 GLU HA . . 4.940 4.398 4.302 4.495 . 0 0 "[ . ]" 1
69 1 7 ALA MB 1 9 SER H . . 4.300 3.886 3.681 4.111 . 0 0 "[ . ]" 1
70 1 7 ALA MB 1 26 VAL MG2 . . 3.760 3.717 3.598 3.770 0.010 4 0 "[ . ]" 1
71 1 7 ALA MB 1 28 TRP HA . . 4.540 3.774 3.524 3.952 . 0 0 "[ . ]" 1
72 1 7 ALA MB 1 28 TRP HE3 . . 4.160 3.495 3.314 3.803 . 0 0 "[ . ]" 1
73 1 7 ALA MB 1 28 TRP HH2 . . 4.550 3.449 3.292 3.648 . 0 0 "[ . ]" 1
74 1 7 ALA MB 1 28 TRP HZ2 . . 4.580 3.709 3.500 3.983 . 0 0 "[ . ]" 1
75 1 7 ALA MB 1 28 TRP HZ3 . . 3.930 3.319 3.239 3.544 . 0 0 "[ . ]" 1
76 1 7 ALA MB 1 37 GLU HG3 . . 5.500 5.381 4.985 5.531 0.031 1 0 "[ . ]" 1
77 1 8 GLU H 1 8 GLU QB . . 3.590 2.426 2.332 2.497 . 0 0 "[ . ]" 1
78 1 8 GLU H 1 9 SER H . . 3.110 2.549 2.448 2.664 . 0 0 "[ . ]" 1
79 1 8 GLU H 1 28 TRP HA . . 3.620 2.369 1.905 2.620 . 0 0 "[ . ]" 1
80 1 8 GLU H 1 28 TRP HE3 . . 5.140 5.110 4.912 5.181 0.041 8 0 "[ . ]" 1
81 1 8 GLU H 1 29 THR H . . 4.290 3.608 3.397 3.930 . 0 0 "[ . ]" 1
82 1 8 GLU H 1 29 THR MG . . 4.730 4.703 4.524 4.766 0.036 9 0 "[ . ]" 1
83 1 8 GLU HA 1 8 GLU QG . . 3.530 2.672 2.443 2.937 . 0 0 "[ . ]" 1
84 1 8 GLU HA 1 29 THR MG . . 5.200 5.128 4.855 5.320 0.120 1 0 "[ . ]" 1
85 1 8 GLU HA 1 46 LEU QD . . 4.950 3.592 3.326 4.179 . 0 0 "[ . ]" 1
86 1 8 GLU QB 1 9 SER H . . 4.160 2.258 2.181 2.459 . 0 0 "[ . ]" 1
87 1 8 GLU QB 1 29 THR H . . 5.360 4.566 4.391 4.925 . 0 0 "[ . ]" 1
88 1 8 GLU QG 1 28 TRP HB2 . . 5.440 5.345 4.954 5.511 0.071 7 0 "[ . ]" 1
89 1 8 GLU QG 1 28 TRP HB3 . . 5.090 4.790 4.400 4.972 . 0 0 "[ . ]" 1
90 1 8 GLU QG 1 29 THR H . . 5.010 2.623 2.401 3.045 . 0 0 "[ . ]" 1
91 1 8 GLU QG 1 29 THR HA . . 4.560 2.747 2.381 3.112 . 0 0 "[ . ]" 1
92 1 8 GLU QG 1 29 THR HB . . 3.930 2.255 1.978 2.743 . 0 0 "[ . ]" 1
93 1 8 GLU QG 1 29 THR MG . . 3.410 3.294 2.934 3.456 0.046 9 0 "[ . ]" 1
94 1 9 SER H 1 9 SER QB . . 3.520 2.977 2.913 3.339 . 0 0 "[ . ]" 1
95 1 9 SER H 1 10 VAL H . . 4.660 4.344 4.328 4.362 . 0 0 "[ . ]" 1
96 1 9 SER H 1 27 LYS H . . 3.890 3.293 3.094 3.416 . 0 0 "[ . ]" 1
97 1 9 SER H 1 27 LYS QB . . 3.610 2.749 2.584 3.018 . 0 0 "[ . ]" 1
98 1 9 SER H 1 28 TRP HA . . 4.900 4.532 3.955 4.813 . 0 0 "[ . ]" 1
99 1 9 SER H 1 46 LEU QD . . 4.660 3.365 3.024 3.712 . 0 0 "[ . ]" 1
100 1 9 SER HA 1 10 VAL H . . 2.900 2.474 2.414 2.556 . 0 0 "[ . ]" 1
101 1 9 SER HA 1 46 LEU QB . . 3.740 2.291 1.979 2.833 . 0 0 "[ . ]" 1
102 1 9 SER HA 1 46 LEU QD . . 3.320 2.053 1.732 2.514 . 0 0 "[ . ]" 1
103 1 9 SER QB 1 10 VAL H . . 3.240 2.249 2.084 2.377 . 0 0 "[ . ]" 1
104 1 9 SER QB 1 11 ILE MG . . 3.620 3.079 2.817 3.371 . 0 0 "[ . ]" 1
105 1 9 SER QB 1 27 LYS QB . . 5.180 3.571 3.076 4.006 . 0 0 "[ . ]" 1
106 1 9 SER QB 1 46 LEU QB . . 4.360 3.791 3.518 4.210 . 0 0 "[ . ]" 1
107 1 9 SER QB 1 46 LEU QD . . 5.100 3.449 3.102 3.886 . 0 0 "[ . ]" 1
108 1 9 SER HB2 1 10 VAL H . . 3.890 3.372 2.276 3.636 . 0 0 "[ . ]" 1
109 1 9 SER HB2 1 11 ILE MG . . 4.200 3.283 3.034 3.679 . 0 0 "[ . ]" 1
110 1 9 SER HB2 1 46 LEU QB . . 4.970 4.849 4.613 4.928 . 0 0 "[ . ]" 1
111 1 9 SER HB3 1 10 VAL H . . 3.890 2.417 2.104 3.541 . 0 0 "[ . ]" 1
112 1 9 SER HB3 1 11 ILE MG . . 4.200 3.769 3.341 4.269 0.069 1 0 "[ . ]" 1
113 1 9 SER HB3 1 46 LEU QB . . 4.970 3.997 3.610 4.861 . 0 0 "[ . ]" 1
114 1 10 VAL H 1 10 VAL HB . . 3.210 2.538 2.372 2.638 . 0 0 "[ . ]" 1
115 1 10 VAL H 1 10 VAL MG1 . . 3.890 3.802 3.712 3.845 . 0 0 "[ . ]" 1
116 1 10 VAL H 1 10 VAL MG2 . . 3.920 2.563 2.395 2.722 . 0 0 "[ . ]" 1
117 1 10 VAL H 1 11 ILE MG . . 4.650 4.035 3.750 4.239 . 0 0 "[ . ]" 1
118 1 10 VAL H 1 46 LEU QB . . 4.190 2.965 2.305 3.956 . 0 0 "[ . ]" 1
119 1 10 VAL H 1 46 LEU QD . . 4.530 3.502 2.363 4.149 . 0 0 "[ . ]" 1
120 1 10 VAL H 1 50 TYR HB2 . . 4.560 3.831 3.320 4.413 . 0 0 "[ . ]" 1
121 1 10 VAL HA 1 10 VAL MG1 . . 3.070 2.416 2.356 2.544 . 0 0 "[ . ]" 1
122 1 10 VAL HA 1 11 ILE H . . 2.970 2.206 2.191 2.229 . 0 0 "[ . ]" 1
123 1 10 VAL HA 1 11 ILE QG . . 5.340 5.075 5.045 5.145 . 0 0 "[ . ]" 1
124 1 10 VAL HA 1 11 ILE MG . . 3.990 3.385 3.319 3.452 . 0 0 "[ . ]" 1
125 1 10 VAL HA 1 26 VAL HA . . 3.480 2.302 2.172 2.445 . 0 0 "[ . ]" 1
126 1 10 VAL HA 1 26 VAL MG2 . . 4.200 3.613 3.347 3.808 . 0 0 "[ . ]" 1
127 1 10 VAL HA 1 27 LYS H . . 3.800 2.845 2.578 3.099 . 0 0 "[ . ]" 1
128 1 10 VAL HB 1 11 ILE H . . 4.960 4.162 4.056 4.205 . 0 0 "[ . ]" 1
129 1 10 VAL HB 1 12 GLY H . . 4.870 4.687 4.499 4.885 0.015 6 0 "[ . ]" 1
130 1 10 VAL HB 1 50 TYR HA . . 5.260 4.917 4.695 5.164 . 0 0 "[ . ]" 1
131 1 10 VAL HB 1 50 TYR HB2 . . 3.680 2.526 2.307 2.773 . 0 0 "[ . ]" 1
132 1 10 VAL HB 1 50 TYR HB3 . . 4.070 3.194 2.506 3.852 . 0 0 "[ . ]" 1
133 1 10 VAL HB 1 50 TYR QD . . 4.610 3.816 3.159 4.245 . 0 0 "[ . ]" 1
134 1 10 VAL MG1 1 11 ILE H . . 4.180 2.616 2.450 2.731 . 0 0 "[ . ]" 1
135 1 10 VAL MG1 1 12 GLY H . . 3.880 2.354 2.062 2.573 . 0 0 "[ . ]" 1
136 1 10 VAL MG1 1 24 TYR HB2 . . 4.200 3.470 3.341 3.647 . 0 0 "[ . ]" 1
137 1 10 VAL MG1 1 24 TYR QB . . 3.570 2.063 1.916 2.206 . 0 0 "[ . ]" 1
138 1 10 VAL MG1 1 24 TYR HB3 . . 4.200 2.078 1.927 2.224 . 0 0 "[ . ]" 1
139 1 10 VAL MG1 1 24 TYR QE . . 3.300 3.319 3.261 3.358 0.058 6 0 "[ . ]" 1
140 1 10 VAL MG1 1 25 LEU H . . 4.640 3.110 2.838 3.269 . 0 0 "[ . ]" 1
141 1 10 VAL MG1 1 26 VAL HA . . 3.880 3.220 3.017 3.623 . 0 0 "[ . ]" 1
142 1 10 VAL MG1 1 26 VAL MG2 . . 4.200 3.074 2.597 3.626 . 0 0 "[ . ]" 1
143 1 10 VAL MG1 1 47 VAL HA . . 3.530 3.451 3.090 3.639 0.109 7 0 "[ . ]" 1
144 1 10 VAL MG1 1 50 TYR HB2 . . 4.040 3.171 2.683 3.357 . 0 0 "[ . ]" 1
145 1 10 VAL MG1 1 50 TYR HB3 . . 4.320 3.373 2.733 3.722 . 0 0 "[ . ]" 1
146 1 10 VAL MG2 1 24 TYR QE . . 5.040 4.840 4.583 5.057 0.017 1 0 "[ . ]" 1
147 1 10 VAL MG2 1 26 VAL MG2 . . 2.980 2.038 1.887 2.282 . 0 0 "[ . ]" 1
148 1 11 ILE H 1 11 ILE MD . . 3.140 1.758 1.733 1.799 . 0 0 "[ . ]" 1
149 1 11 ILE H 1 11 ILE HG12 . . 4.270 3.468 3.380 3.556 . 0 0 "[ . ]" 1
150 1 11 ILE H 1 11 ILE QG . . 3.700 3.284 3.221 3.338 . 0 0 "[ . ]" 1
151 1 11 ILE H 1 11 ILE HG13 . . 4.270 4.063 4.037 4.098 . 0 0 "[ . ]" 1
152 1 11 ILE H 1 11 ILE MG . . 3.690 2.651 2.584 2.727 . 0 0 "[ . ]" 1
153 1 11 ILE H 1 12 GLY H . . 3.080 1.975 1.910 2.044 . 0 0 "[ . ]" 1
154 1 11 ILE H 1 12 GLY HA3 . . 4.850 4.218 4.165 4.253 . 0 0 "[ . ]" 1
155 1 11 ILE H 1 25 LEU QB . . 4.830 3.299 3.070 3.595 . 0 0 "[ . ]" 1
156 1 11 ILE H 1 26 VAL HA . . 4.440 3.496 3.268 3.740 . 0 0 "[ . ]" 1
157 1 11 ILE H 1 27 LYS H . . 5.050 3.769 3.635 4.070 . 0 0 "[ . ]" 1
158 1 11 ILE HA 1 11 ILE MD . . 4.450 3.562 3.521 3.590 . 0 0 "[ . ]" 1
159 1 11 ILE HA 1 11 ILE MG . . 3.060 2.472 2.449 2.511 . 0 0 "[ . ]" 1
160 1 11 ILE HA 1 50 TYR QE . . 4.010 2.986 2.549 3.323 . 0 0 "[ . ]" 1
161 1 11 ILE HB 1 11 ILE MD . . 3.330 3.249 3.242 3.258 . 0 0 "[ . ]" 1
162 1 11 ILE HB 1 12 GLY H . . 4.720 4.406 4.297 4.485 . 0 0 "[ . ]" 1
163 1 11 ILE MD 1 12 GLY H . . 3.000 2.482 2.267 2.664 . 0 0 "[ . ]" 1
164 1 11 ILE MD 1 12 GLY HA2 . . 4.230 4.256 4.094 4.302 0.072 8 0 "[ . ]" 1
165 1 11 ILE MD 1 12 GLY HA3 . . 3.990 3.444 3.283 3.519 . 0 0 "[ . ]" 1
166 1 11 ILE MD 1 24 TYR QD . . 5.500 5.612 5.541 5.664 0.164 3 0 "[ . ]" 1
167 1 11 ILE MD 1 25 LEU HA . . 4.380 4.071 3.989 4.233 . 0 0 "[ . ]" 1
168 1 11 ILE MD 1 25 LEU MD1 . . 4.750 2.712 2.060 3.400 . 0 0 "[ . ]" 1
169 1 11 ILE MD 1 25 LEU QD . . 3.460 2.044 1.724 2.418 . 0 0 "[ . ]" 1
170 1 11 ILE MD 1 25 LEU MD2 . . 4.750 2.128 1.840 2.485 . 0 0 "[ . ]" 1
171 1 11 ILE MD 1 26 VAL HA . . 5.050 3.480 3.268 3.707 . 0 0 "[ . ]" 1
172 1 11 ILE MD 1 27 LYS H . . 4.030 2.970 2.812 3.315 . 0 0 "[ . ]" 1
173 1 11 ILE MD 1 27 LYS HA . . 5.210 3.491 3.153 3.905 . 0 0 "[ . ]" 1
174 1 11 ILE MD 1 27 LYS QB . . 4.000 2.142 1.726 3.507 . 0 0 "[ . ]" 1
175 1 11 ILE MD 1 27 LYS QD . . 4.300 3.186 2.703 4.090 . 0 0 "[ . ]" 1
176 1 11 ILE MD 1 27 LYS QE . . 4.790 4.198 2.636 4.882 0.092 8 0 "[ . ]" 1
177 1 11 ILE MD 1 27 LYS HG2 . . 4.770 3.652 1.756 4.350 . 0 0 "[ . ]" 1
178 1 11 ILE MD 1 27 LYS QG . . 3.900 3.381 1.747 3.923 0.023 3 0 "[ . ]" 1
179 1 11 ILE MD 1 27 LYS HG3 . . 4.770 4.199 3.111 4.752 . 0 0 "[ . ]" 1
180 1 11 ILE MD 1 34 ALA MB . . 3.570 3.265 2.725 3.678 0.108 1 0 "[ . ]" 1
181 1 11 ILE QG 1 12 GLY H . . 5.340 3.438 3.139 3.706 . 0 0 "[ . ]" 1
182 1 11 ILE QG 1 27 LYS QB . . 4.940 3.688 3.359 4.948 0.008 9 0 "[ . ]" 1
183 1 11 ILE QG 1 27 LYS QD . . 4.880 3.932 2.829 4.994 0.114 5 0 "[ . ]" 1
184 1 11 ILE MG 1 12 GLY H . . 4.710 4.083 3.990 4.181 . 0 0 "[ . ]" 1
185 1 11 ILE MG 1 27 LYS H . . 4.420 3.568 3.417 3.716 . 0 0 "[ . ]" 1
186 1 11 ILE MG 1 27 LYS QB . . 4.400 2.564 2.232 3.210 . 0 0 "[ . ]" 1
187 1 11 ILE MG 1 27 LYS QD . . 4.460 3.784 2.479 4.530 0.070 3 0 "[ . ]" 1
188 1 11 ILE MG 1 27 LYS QE . . 5.340 4.356 3.273 5.084 . 0 0 "[ . ]" 1
189 1 11 ILE MG 1 27 LYS QG . . 4.720 3.325 2.238 3.939 . 0 0 "[ . ]" 1
190 1 12 GLY H 1 13 LYS QB . . 4.880 4.719 4.618 4.874 . 0 0 "[ . ]" 1
191 1 12 GLY H 1 24 TYR HA . . 5.050 4.656 4.473 4.879 . 0 0 "[ . ]" 1
192 1 12 GLY H 1 25 LEU H . . 3.700 3.104 2.886 3.216 . 0 0 "[ . ]" 1
193 1 12 GLY H 1 25 LEU QB . . 4.080 2.527 2.325 2.748 . 0 0 "[ . ]" 1
194 1 12 GLY HA2 1 13 LYS H . . 3.200 2.276 2.226 2.337 . 0 0 "[ . ]" 1
195 1 12 GLY HA2 1 25 LEU H . . 4.700 4.259 4.188 4.316 . 0 0 "[ . ]" 1
196 1 12 GLY HA2 1 25 LEU HB2 . . 4.810 4.186 3.986 4.532 . 0 0 "[ . ]" 1
197 1 12 GLY HA2 1 25 LEU HB3 . . 4.810 3.709 3.373 4.059 . 0 0 "[ . ]" 1
198 1 12 GLY HA2 1 50 TYR QE . . 3.730 3.623 3.507 3.735 0.005 7 0 "[ . ]" 1
199 1 12 GLY HA3 1 13 LYS H . . 3.340 2.917 2.859 2.987 . 0 0 "[ . ]" 1
200 1 12 GLY HA3 1 24 TYR QD . . 5.060 4.956 4.868 5.023 . 0 0 "[ . ]" 1
201 1 12 GLY HA3 1 25 LEU HB2 . . 4.320 2.461 2.261 2.829 . 0 0 "[ . ]" 1
202 1 12 GLY HA3 1 25 LEU HB3 . . 4.320 2.135 1.752 2.561 . 0 0 "[ . ]" 1
203 1 12 GLY HA3 1 50 TYR QE . . 4.930 4.912 4.601 4.965 0.035 2 0 "[ . ]" 1
204 1 13 LYS H 1 13 LYS QB . . 3.470 2.656 2.589 2.713 . 0 0 "[ . ]" 1
205 1 13 LYS H 1 13 LYS QG . . 4.700 4.110 4.055 4.159 . 0 0 "[ . ]" 1
206 1 13 LYS H 1 14 ARG H . . 5.100 4.172 4.015 4.243 . 0 0 "[ . ]" 1
207 1 13 LYS H 1 14 ARG QD . . 5.040 4.363 3.685 4.899 . 0 0 "[ . ]" 1
208 1 13 LYS H 1 14 ARG QH1 . . 5.500 4.652 3.012 5.510 0.010 7 0 "[ . ]" 1
209 1 13 LYS H 1 24 TYR QD . . 4.920 4.692 4.476 4.882 . 0 0 "[ . ]" 1
210 1 13 LYS H 1 36 TRP HH2 . . 4.670 2.810 2.599 2.968 . 0 0 "[ . ]" 1
211 1 13 LYS H 1 50 TYR QE . . 4.460 4.177 3.300 4.516 0.056 6 0 "[ . ]" 1
212 1 13 LYS HA 1 13 LYS QE . . 4.680 4.645 4.328 4.801 0.121 6 0 "[ . ]" 1
213 1 13 LYS HA 1 13 LYS QG . . 3.690 2.507 2.462 2.599 . 0 0 "[ . ]" 1
214 1 13 LYS HA 1 14 ARG H . . 3.220 2.169 2.152 2.196 . 0 0 "[ . ]" 1
215 1 13 LYS HA 1 22 ILE MG . . 4.810 4.089 3.773 4.459 . 0 0 "[ . ]" 1
216 1 13 LYS HA 1 23 GLU H . . 5.420 5.023 4.820 5.350 . 0 0 "[ . ]" 1
217 1 13 LYS HA 1 24 TYR QD . . 4.190 2.879 2.516 3.198 . 0 0 "[ . ]" 1
218 1 13 LYS HA 1 24 TYR QE . . 4.500 3.736 3.465 4.042 . 0 0 "[ . ]" 1
219 1 13 LYS HA 1 25 LEU H . . 4.390 3.354 3.116 3.567 . 0 0 "[ . ]" 1
220 1 13 LYS HA 1 36 TRP HZ3 . . 3.620 2.484 2.284 2.708 . 0 0 "[ . ]" 1
221 1 13 LYS QB 1 13 LYS QE . . 4.580 3.350 1.984 3.532 . 0 0 "[ . ]" 1
222 1 13 LYS QB 1 14 ARG H . . 4.040 3.790 3.715 3.872 . 0 0 "[ . ]" 1
223 1 13 LYS QB 1 24 TYR HA . . 4.610 4.102 3.849 4.338 . 0 0 "[ . ]" 1
224 1 13 LYS QB 1 24 TYR QD . . 3.410 2.873 2.735 3.064 . 0 0 "[ . ]" 1
225 1 13 LYS QB 1 24 TYR QE . . 2.800 2.247 2.083 2.470 . 0 0 "[ . ]" 1
226 1 13 LYS QB 1 25 LEU H . . 5.380 4.636 4.352 4.801 . 0 0 "[ . ]" 1
227 1 13 LYS QD 1 22 ILE MG . . 4.470 3.741 2.753 4.299 . 0 0 "[ . ]" 1
228 1 13 LYS QD 1 24 TYR QD . . 5.490 4.337 4.072 4.755 . 0 0 "[ . ]" 1
229 1 13 LYS QD 1 24 TYR QE . . 3.780 2.484 2.202 3.000 . 0 0 "[ . ]" 1
230 1 13 LYS QD 1 50 TYR QE . . 4.110 2.292 1.820 3.112 . 0 0 "[ . ]" 1
231 1 13 LYS QE 1 13 LYS QG . . 3.190 2.141 2.067 2.237 . 0 0 "[ . ]" 1
232 1 13 LYS QE 1 14 ARG H . . 5.030 4.780 4.596 5.041 0.011 8 0 "[ . ]" 1
233 1 13 LYS QE 1 22 ILE MD . . 3.890 3.192 2.370 3.951 0.061 9 0 "[ . ]" 1
234 1 13 LYS QE 1 22 ILE MG . . 3.340 2.548 1.928 3.376 0.036 9 0 "[ . ]" 1
235 1 13 LYS QE 1 24 TYR QE . . 4.160 3.589 3.249 4.297 0.137 9 0 "[ . ]" 1
236 1 13 LYS QG 1 14 ARG H . . 3.700 2.867 2.678 3.067 . 0 0 "[ . ]" 1
237 1 13 LYS QG 1 22 ILE MG . . 3.930 2.561 2.223 3.003 . 0 0 "[ . ]" 1
238 1 13 LYS QG 1 24 TYR QD . . 4.530 3.513 3.112 3.760 . 0 0 "[ . ]" 1
239 1 13 LYS QG 1 24 TYR QE . . 3.640 2.686 1.935 3.103 . 0 0 "[ . ]" 1
240 1 13 LYS HG2 1 22 ILE MG . . 4.580 3.052 2.470 3.705 . 0 0 "[ . ]" 1
241 1 13 LYS HG3 1 22 ILE MG . . 4.580 2.764 2.394 3.175 . 0 0 "[ . ]" 1
242 1 14 ARG H 1 14 ARG QD . . 4.320 3.992 3.662 4.143 . 0 0 "[ . ]" 1
243 1 14 ARG H 1 14 ARG QG . . 3.980 3.181 2.915 3.433 . 0 0 "[ . ]" 1
244 1 14 ARG H 1 15 VAL H . . 5.010 4.144 4.016 4.332 . 0 0 "[ . ]" 1
245 1 14 ARG H 1 15 VAL HA . . 5.160 4.819 4.740 5.054 . 0 0 "[ . ]" 1
246 1 14 ARG H 1 22 ILE HA . . 5.500 4.553 4.336 4.759 . 0 0 "[ . ]" 1
247 1 14 ARG H 1 22 ILE MG . . 4.430 3.397 3.159 3.799 . 0 0 "[ . ]" 1
248 1 14 ARG H 1 23 GLU H . . 3.880 3.226 3.048 3.497 . 0 0 "[ . ]" 1
249 1 14 ARG H 1 24 TYR QD . . 4.860 4.597 4.319 4.895 0.035 8 0 "[ . ]" 1
250 1 14 ARG H 1 36 TRP HZ3 . . 4.460 2.474 1.951 2.737 . 0 0 "[ . ]" 1
251 1 14 ARG HB2 1 14 ARG QD . . 3.660 3.379 3.277 3.504 . 0 0 "[ . ]" 1
252 1 14 ARG HB2 1 14 ARG QH1 . . 5.480 5.137 4.619 5.358 . 0 0 "[ . ]" 1
253 1 14 ARG HB2 1 15 VAL H . . 4.510 4.397 4.314 4.483 . 0 0 "[ . ]" 1
254 1 14 ARG HB3 1 14 ARG HD2 . . 4.150 2.855 2.418 3.322 . 0 0 "[ . ]" 1
255 1 14 ARG HB3 1 14 ARG QD . . 3.470 2.695 2.335 3.104 . 0 0 "[ . ]" 1
256 1 14 ARG HB3 1 14 ARG HD3 . . 4.150 3.323 2.931 3.746 . 0 0 "[ . ]" 1
257 1 14 ARG HB3 1 14 ARG QH1 . . 4.460 4.422 3.924 4.588 0.128 1 0 "[ . ]" 1
258 1 14 ARG HB3 1 15 VAL H . . 3.630 3.578 3.316 3.674 0.044 4 0 "[ . ]" 1
259 1 14 ARG QD 1 14 ARG QH1 . . 3.290 1.809 1.727 1.931 . 0 0 "[ . ]" 1
260 1 14 ARG QD 1 15 VAL H . . 3.980 3.612 3.271 4.021 0.041 9 0 "[ . ]" 1
261 1 14 ARG QD 1 36 TRP HZ3 . . 5.170 3.966 3.583 4.326 . 0 0 "[ . ]" 1
262 1 14 ARG HD2 1 14 ARG QH1 . . 4.000 2.437 1.763 3.323 . 0 0 "[ . ]" 1
263 1 14 ARG HD3 1 14 ARG QH1 . . 4.000 2.210 1.739 3.043 . 0 0 "[ . ]" 1
264 1 14 ARG QG 1 14 ARG QH1 . . 3.900 3.601 2.732 3.817 . 0 0 "[ . ]" 1
265 1 14 ARG QG 1 36 TRP HE3 . . 4.580 3.478 3.022 4.093 . 0 0 "[ . ]" 1
266 1 15 VAL H 1 15 VAL HB . . 3.380 2.724 2.510 3.195 . 0 0 "[ . ]" 1
267 1 15 VAL H 1 15 VAL QG . . 3.280 2.237 1.936 2.489 . 0 0 "[ . ]" 1
268 1 15 VAL H 1 16 GLY H . . 4.800 4.413 4.303 4.483 . 0 0 "[ . ]" 1
269 1 15 VAL HA 1 15 VAL QG . . 3.020 2.213 2.130 2.364 . 0 0 "[ . ]" 1
270 1 15 VAL HA 1 16 GLY H . . 2.890 2.179 2.157 2.195 . 0 0 "[ . ]" 1
271 1 15 VAL HA 1 22 ILE MD . . 3.940 3.637 3.300 3.964 0.024 7 0 "[ . ]" 1
272 1 15 VAL HA 1 22 ILE QG . . 4.040 2.093 1.789 2.391 . 0 0 "[ . ]" 1
273 1 15 VAL HA 1 22 ILE MG . . 3.570 2.592 2.301 2.882 . 0 0 "[ . ]" 1
274 1 15 VAL HB 1 16 GLY H . . 4.440 4.225 4.154 4.348 . 0 0 "[ . ]" 1
275 1 15 VAL QG 1 16 GLY H . . 3.340 2.747 2.625 2.897 . 0 0 "[ . ]" 1
276 1 16 GLY H 1 17 ASP H . . 4.640 4.480 4.422 4.531 . 0 0 "[ . ]" 1
277 1 16 GLY H 1 21 THR H . . 5.500 5.186 5.010 5.508 0.008 1 0 "[ . ]" 1
278 1 16 GLY H 1 21 THR MG . . 5.500 5.589 5.555 5.637 0.137 9 0 "[ . ]" 1
279 1 16 GLY QA 1 18 ASP H . . 3.940 3.218 3.065 3.432 . 0 0 "[ . ]" 1
280 1 17 ASP H 1 18 ASP H . . 4.170 2.376 2.232 2.537 . 0 0 "[ . ]" 1
281 1 17 ASP HA 1 19 GLY H . . 4.350 3.507 3.305 3.726 . 0 0 "[ . ]" 1
282 1 17 ASP QB 1 18 ASP H . . 3.260 2.951 2.735 3.430 0.170 4 0 "[ . ]" 1
283 1 17 ASP QB 1 19 GLY H . . 4.820 4.455 4.329 4.627 . 0 0 "[ . ]" 1
284 1 18 ASP H 1 18 ASP QB . . 3.880 2.436 2.303 2.663 . 0 0 "[ . ]" 1
285 1 18 ASP QB 1 19 GLY H . . 5.010 3.654 3.383 3.963 . 0 0 "[ . ]" 1
286 1 20 LYS H 1 20 LYS QD . . 4.300 4.152 3.460 4.422 0.122 2 0 "[ . ]" 1
287 1 20 LYS H 1 20 LYS QG . . 3.970 3.400 2.201 4.000 0.030 4 0 "[ . ]" 1
288 1 20 LYS HA 1 20 LYS QD . . 5.090 3.017 1.999 4.054 . 0 0 "[ . ]" 1
289 1 20 LYS QB 1 21 THR H . . 4.180 3.304 2.598 3.703 . 0 0 "[ . ]" 1
290 1 21 THR H 1 21 THR HB . . 3.570 2.614 2.577 2.669 . 0 0 "[ . ]" 1
291 1 21 THR H 1 21 THR MG . . 4.140 3.731 3.715 3.747 . 0 0 "[ . ]" 1
292 1 21 THR HA 1 21 THR MG . . 3.140 2.354 2.321 2.390 . 0 0 "[ . ]" 1
293 1 21 THR HA 1 22 ILE H . . 2.860 2.205 2.154 2.244 . 0 0 "[ . ]" 1
294 1 21 THR HA 1 22 ILE HB . . 5.100 4.736 4.632 4.798 . 0 0 "[ . ]" 1
295 1 21 THR HB 1 22 ILE H . . 4.200 3.950 3.898 4.025 . 0 0 "[ . ]" 1
296 1 21 THR MG 1 22 ILE H . . 3.230 2.368 2.307 2.443 . 0 0 "[ . ]" 1
297 1 21 THR MG 1 22 ILE HA . . 4.200 4.041 3.961 4.150 . 0 0 "[ . ]" 1
298 1 21 THR MG 1 22 ILE HB . . 3.850 3.761 3.646 3.889 0.039 2 0 "[ . ]" 1
299 1 21 THR MG 1 23 GLU HA . . 4.740 4.073 3.834 4.573 . 0 0 "[ . ]" 1
300 1 22 ILE H 1 22 ILE HB . . 3.180 2.540 2.495 2.580 . 0 0 "[ . ]" 1
301 1 22 ILE H 1 22 ILE MD . . 4.220 3.614 3.569 3.694 . 0 0 "[ . ]" 1
302 1 22 ILE H 1 22 ILE HG12 . . 3.970 3.389 3.363 3.426 . 0 0 "[ . ]" 1
303 1 22 ILE H 1 22 ILE QG . . 3.470 2.130 2.092 2.172 . 0 0 "[ . ]" 1
304 1 22 ILE H 1 22 ILE HG13 . . 3.970 2.153 2.112 2.199 . 0 0 "[ . ]" 1
305 1 22 ILE H 1 22 ILE MG . . 4.200 3.773 3.755 3.787 . 0 0 "[ . ]" 1
306 1 22 ILE HA 1 22 ILE MD . . 3.920 3.844 3.820 3.869 . 0 0 "[ . ]" 1
307 1 22 ILE HA 1 22 ILE MG . . 3.720 2.372 2.346 2.381 . 0 0 "[ . ]" 1
308 1 22 ILE HA 1 23 GLU H . . 2.950 2.130 2.115 2.172 . 0 0 "[ . ]" 1
309 1 22 ILE HB 1 22 ILE MD . . 3.460 2.436 2.419 2.457 . 0 0 "[ . ]" 1
310 1 22 ILE MD 1 22 ILE MG . . 3.270 1.917 1.901 1.944 . 0 0 "[ . ]" 1
311 1 22 ILE QG 1 22 ILE MG . . 3.190 2.333 2.313 2.361 . 0 0 "[ . ]" 1
312 1 22 ILE QG 1 23 GLU H . . 4.570 4.236 4.142 4.330 . 0 0 "[ . ]" 1
313 1 22 ILE HG12 1 22 ILE MG . . 3.690 2.397 2.373 2.430 . 0 0 "[ . ]" 1
314 1 22 ILE HG13 1 22 ILE MG . . 3.690 3.206 3.201 3.210 . 0 0 "[ . ]" 1
315 1 22 ILE MG 1 23 GLU H . . 3.400 2.901 2.566 3.147 . 0 0 "[ . ]" 1
316 1 22 ILE MG 1 23 GLU HA . . 4.770 3.835 3.425 4.018 . 0 0 "[ . ]" 1
317 1 22 ILE MG 1 24 TYR QD . . 4.260 3.721 3.350 4.059 . 0 0 "[ . ]" 1
318 1 22 ILE MG 1 24 TYR QE . . 3.870 3.214 2.810 3.845 . 0 0 "[ . ]" 1
319 1 23 GLU H 1 23 GLU HB2 . . 3.960 2.478 2.392 2.640 . 0 0 "[ . ]" 1
320 1 23 GLU H 1 23 GLU HB3 . . 3.960 3.674 3.623 3.776 . 0 0 "[ . ]" 1
321 1 23 GLU H 1 23 GLU HG2 . . 4.590 4.099 3.924 4.281 . 0 0 "[ . ]" 1
322 1 23 GLU H 1 23 GLU HG3 . . 4.590 2.883 2.612 3.209 . 0 0 "[ . ]" 1
323 1 23 GLU H 1 24 TYR H . . 4.880 4.486 4.444 4.511 . 0 0 "[ . ]" 1
324 1 23 GLU HA 1 23 GLU QG . . 3.700 2.396 2.365 2.446 . 0 0 "[ . ]" 1
325 1 23 GLU HA 1 24 TYR H . . 3.290 2.253 2.151 2.364 . 0 0 "[ . ]" 1
326 1 23 GLU HA 1 24 TYR QB . . 5.340 4.065 4.011 4.123 . 0 0 "[ . ]" 1
327 1 23 GLU HA 1 38 PRO HA . . 4.050 2.740 2.269 3.264 . 0 0 "[ . ]" 1
328 1 23 GLU HA 1 39 GLN H . . 3.880 3.603 3.102 3.904 0.024 4 0 "[ . ]" 1
329 1 23 GLU QB 1 36 TRP HE3 . . 3.840 2.663 2.279 3.100 . 0 0 "[ . ]" 1
330 1 23 GLU QG 1 24 TYR H . . 3.950 3.766 3.660 3.841 . 0 0 "[ . ]" 1
331 1 23 GLU QG 1 38 PRO HA . . 4.120 2.940 2.585 3.439 . 0 0 "[ . ]" 1
332 1 23 GLU HG2 1 24 TYR H . . 4.570 3.971 3.821 4.112 . 0 0 "[ . ]" 1
333 1 23 GLU HG2 1 38 PRO HA . . 4.890 3.037 2.705 3.579 . 0 0 "[ . ]" 1
334 1 23 GLU HG3 1 24 TYR H . . 4.570 4.686 4.608 4.754 0.184 4 0 "[ . ]" 1
335 1 23 GLU HG3 1 38 PRO HA . . 4.890 3.998 3.197 4.521 . 0 0 "[ . ]" 1
336 1 24 TYR H 1 24 TYR HB2 . . 3.990 2.490 2.407 2.618 . 0 0 "[ . ]" 1
337 1 24 TYR H 1 24 TYR QB . . 3.490 2.450 2.372 2.570 . 0 0 "[ . ]" 1
338 1 24 TYR H 1 24 TYR HB3 . . 3.990 3.643 3.580 3.739 . 0 0 "[ . ]" 1
339 1 24 TYR H 1 24 TYR QD . . 4.310 3.605 3.416 3.799 . 0 0 "[ . ]" 1
340 1 24 TYR H 1 36 TRP HE3 . . 4.080 3.532 3.248 3.829 . 0 0 "[ . ]" 1
341 1 24 TYR H 1 37 GLU H . . 3.850 3.236 3.075 3.604 . 0 0 "[ . ]" 1
342 1 24 TYR H 1 42 VAL MG1 . . 5.270 4.709 4.495 4.839 . 0 0 "[ . ]" 1
343 1 24 TYR HA 1 24 TYR QD . . 3.660 2.489 2.247 2.650 . 0 0 "[ . ]" 1
344 1 24 TYR HA 1 24 TYR QE . . 4.500 4.345 4.259 4.413 . 0 0 "[ . ]" 1
345 1 24 TYR HA 1 25 LEU H . . 3.120 2.131 2.094 2.161 . 0 0 "[ . ]" 1
346 1 24 TYR HA 1 36 TRP HE3 . . 4.360 3.111 2.948 3.415 . 0 0 "[ . ]" 1
347 1 24 TYR HA 1 36 TRP HZ3 . . 4.200 3.195 2.922 3.433 . 0 0 "[ . ]" 1
348 1 24 TYR HA 1 42 VAL MG2 . . 4.830 4.469 4.310 4.867 0.037 7 0 "[ . ]" 1
349 1 24 TYR QB 1 25 LEU H . . 3.880 3.135 3.035 3.246 . 0 0 "[ . ]" 1
350 1 24 TYR QB 1 42 VAL MG1 . . 2.900 2.437 2.255 2.852 . 0 0 "[ . ]" 1
351 1 24 TYR HB2 1 25 LEU H . . 4.570 4.289 4.213 4.370 . 0 0 "[ . ]" 1
352 1 24 TYR HB2 1 42 VAL MG1 . . 3.560 2.659 2.471 3.026 . 0 0 "[ . ]" 1
353 1 24 TYR HB3 1 25 LEU H . . 4.570 3.223 3.108 3.347 . 0 0 "[ . ]" 1
354 1 24 TYR HB3 1 42 VAL MG1 . . 3.560 2.848 2.511 3.488 . 0 0 "[ . ]" 1
355 1 24 TYR QD 1 25 LEU H . . 3.690 3.249 3.011 3.446 . 0 0 "[ . ]" 1
356 1 24 TYR QD 1 25 LEU HB2 . . 5.500 5.482 5.342 5.619 0.119 6 0 "[ . ]" 1
357 1 24 TYR QD 1 25 LEU QB . . 4.710 4.756 4.602 4.878 0.168 2 0 "[ . ]" 1
358 1 24 TYR QD 1 25 LEU HB3 . . 5.500 5.251 4.887 5.518 0.018 9 0 "[ . ]" 1
359 1 24 TYR QD 1 39 GLN HA . . 3.340 2.833 2.608 3.042 . 0 0 "[ . ]" 1
360 1 24 TYR QD 1 39 GLN HB2 . . 4.930 4.645 3.477 4.961 0.031 3 0 "[ . ]" 1
361 1 24 TYR QD 1 39 GLN HB3 . . 4.840 3.897 1.776 4.386 . 0 0 "[ . ]" 1
362 1 24 TYR QD 1 42 VAL HB . . 4.440 3.515 3.004 3.766 . 0 0 "[ . ]" 1
363 1 24 TYR QD 1 42 VAL MG1 . . 3.570 3.189 2.846 3.631 0.061 7 0 "[ . ]" 1
364 1 24 TYR QD 1 42 VAL MG2 . . 3.730 2.825 2.577 3.075 . 0 0 "[ . ]" 1
365 1 24 TYR QD 1 47 VAL QG . . 4.200 2.918 2.528 3.149 . 0 0 "[ . ]" 1
366 1 24 TYR QE 1 39 GLN HB3 . . 4.300 3.768 2.217 4.340 0.040 3 0 "[ . ]" 1
367 1 24 TYR QE 1 39 GLN QG . . 3.600 2.150 1.840 2.609 . 0 0 "[ . ]" 1
368 1 24 TYR QE 1 42 VAL MG1 . . 5.470 4.510 4.214 5.019 . 0 0 "[ . ]" 1
369 1 24 TYR QE 1 47 VAL QG . . 3.450 2.696 2.446 2.897 . 0 0 "[ . ]" 1
370 1 24 TYR QE 1 50 TYR HB3 . . 4.620 3.909 3.292 4.255 . 0 0 "[ . ]" 1
371 1 25 LEU H 1 25 LEU HB2 . . 3.710 2.448 2.255 2.759 . 0 0 "[ . ]" 1
372 1 25 LEU H 1 25 LEU QB . . 3.100 2.235 2.172 2.299 . 0 0 "[ . ]" 1
373 1 25 LEU H 1 25 LEU HB3 . . 3.710 2.682 2.461 2.859 . 0 0 "[ . ]" 1
374 1 25 LEU H 1 25 LEU MD1 . . 4.800 4.230 4.099 4.315 . 0 0 "[ . ]" 1
375 1 25 LEU H 1 25 LEU QD . . 4.020 3.779 3.719 3.816 . 0 0 "[ . ]" 1
376 1 25 LEU H 1 25 LEU MD2 . . 4.800 4.259 4.221 4.329 . 0 0 "[ . ]" 1
377 1 25 LEU H 1 36 TRP HE3 . . 4.640 3.248 3.050 3.601 . 0 0 "[ . ]" 1
378 1 25 LEU HA 1 25 LEU QD . . 3.140 2.144 2.006 2.333 . 0 0 "[ . ]" 1
379 1 25 LEU HA 1 26 VAL H . . 3.200 2.133 2.106 2.159 . 0 0 "[ . ]" 1
380 1 25 LEU HA 1 26 VAL HB . . 4.810 4.687 4.607 4.753 . 0 0 "[ . ]" 1
381 1 25 LEU HA 1 35 THR H . . 5.240 4.731 4.475 4.988 . 0 0 "[ . ]" 1
382 1 25 LEU HA 1 36 TRP H . . 4.920 4.302 4.144 4.432 . 0 0 "[ . ]" 1
383 1 25 LEU HA 1 36 TRP HA . . 3.560 2.197 2.093 2.335 . 0 0 "[ . ]" 1
384 1 25 LEU HA 1 36 TRP HE3 . . 4.330 3.835 3.712 4.003 . 0 0 "[ . ]" 1
385 1 25 LEU HA 1 37 GLU H . . 4.200 3.476 3.362 3.611 . 0 0 "[ . ]" 1
386 1 25 LEU QB 1 36 TRP HA . . 4.960 3.951 3.694 4.145 . 0 0 "[ . ]" 1
387 1 25 LEU HB2 1 36 TRP HE1 . . 5.500 4.267 4.040 4.512 . 0 0 "[ . ]" 1
388 1 25 LEU HB2 1 36 TRP HZ2 . . 4.790 3.409 3.167 3.590 . 0 0 "[ . ]" 1
389 1 25 LEU HB3 1 36 TRP HE1 . . 5.500 5.575 5.514 5.655 0.155 5 0 "[ . ]" 1
390 1 25 LEU HB3 1 36 TRP HZ2 . . 4.790 4.628 4.315 4.807 0.017 7 0 "[ . ]" 1
391 1 25 LEU QD 1 26 VAL H . . 3.600 2.606 2.364 2.971 . 0 0 "[ . ]" 1
392 1 25 LEU QD 1 26 VAL HB . . 5.100 4.462 4.201 4.787 . 0 0 "[ . ]" 1
393 1 25 LEU QD 1 27 LYS HA . . 4.620 3.968 3.417 4.599 . 0 0 "[ . ]" 1
394 1 25 LEU QD 1 34 ALA MB . . 3.100 2.117 1.934 2.376 . 0 0 "[ . ]" 1
395 1 25 LEU QD 1 35 THR H . . 4.290 3.213 2.970 3.463 . 0 0 "[ . ]" 1
396 1 25 LEU QD 1 35 THR HA . . 3.930 3.391 2.972 3.794 . 0 0 "[ . ]" 1
397 1 25 LEU QD 1 36 TRP H . . 4.040 3.787 3.249 4.119 0.079 1 0 "[ . ]" 1
398 1 25 LEU QD 1 36 TRP HA . . 3.950 3.354 2.875 3.705 . 0 0 "[ . ]" 1
399 1 25 LEU QD 1 36 TRP HD1 . . 4.170 3.533 2.876 4.060 . 0 0 "[ . ]" 1
400 1 25 LEU QD 1 36 TRP HE1 . . 3.770 2.791 2.504 3.085 . 0 0 "[ . ]" 1
401 1 25 LEU QD 1 36 TRP HE3 . . 5.440 4.468 4.172 4.771 . 0 0 "[ . ]" 1
402 1 25 LEU QD 1 36 TRP HH2 . . 5.440 3.546 3.369 3.732 . 0 0 "[ . ]" 1
403 1 25 LEU QD 1 36 TRP HZ2 . . 3.560 2.429 2.299 2.631 . 0 0 "[ . ]" 1
404 1 25 LEU QD 1 37 GLU H . . 4.980 4.595 4.278 4.843 . 0 0 "[ . ]" 1
405 1 25 LEU MD1 1 36 TRP HE1 . . 4.310 2.883 2.602 3.166 . 0 0 "[ . ]" 1
406 1 25 LEU MD1 1 36 TRP HZ2 . . 4.830 2.954 2.336 3.792 . 0 0 "[ . ]" 1
407 1 25 LEU MD2 1 36 TRP HE1 . . 4.310 3.756 3.172 4.266 . 0 0 "[ . ]" 1
408 1 25 LEU MD2 1 36 TRP HZ2 . . 4.830 3.825 2.330 4.884 0.054 9 0 "[ . ]" 1
409 1 25 LEU HG 1 34 ALA MB . . 4.130 3.643 2.546 4.228 0.098 9 0 "[ . ]" 1
410 1 26 VAL H 1 26 VAL HB . . 3.580 2.583 2.511 2.641 . 0 0 "[ . ]" 1
411 1 26 VAL H 1 26 VAL MG1 . . 3.900 3.812 3.787 3.847 . 0 0 "[ . ]" 1
412 1 26 VAL H 1 26 VAL MG2 . . 4.280 2.341 2.224 2.444 . 0 0 "[ . ]" 1
413 1 26 VAL H 1 27 LYS H . . 4.470 4.410 4.374 4.434 . 0 0 "[ . ]" 1
414 1 26 VAL H 1 34 ALA HA . . 5.500 5.115 4.281 5.512 0.012 3 0 "[ . ]" 1
415 1 26 VAL H 1 34 ALA MB . . 4.300 3.986 3.502 4.408 0.108 8 0 "[ . ]" 1
416 1 26 VAL H 1 35 THR H . . 4.110 3.630 3.145 3.874 . 0 0 "[ . ]" 1
417 1 26 VAL H 1 36 TRP HA . . 4.320 3.197 3.060 3.350 . 0 0 "[ . ]" 1
418 1 26 VAL H 1 37 GLU H . . 4.910 3.330 3.107 3.730 . 0 0 "[ . ]" 1
419 1 26 VAL HA 1 26 VAL MG1 . . 2.980 2.350 2.304 2.387 . 0 0 "[ . ]" 1
420 1 26 VAL HA 1 26 VAL MG2 . . 3.240 2.439 2.389 2.469 . 0 0 "[ . ]" 1
421 1 26 VAL HA 1 27 LYS H . . 2.890 2.136 2.118 2.161 . 0 0 "[ . ]" 1
422 1 26 VAL HB 1 27 LYS H . . 4.570 4.160 4.069 4.236 . 0 0 "[ . ]" 1
423 1 26 VAL HB 1 28 TRP HD1 . . 4.650 3.519 3.127 3.842 . 0 0 "[ . ]" 1
424 1 26 VAL HB 1 28 TRP HE1 . . 4.400 2.098 1.782 2.325 . 0 0 "[ . ]" 1
425 1 26 VAL HB 1 28 TRP HZ2 . . 3.960 3.756 3.610 3.950 . 0 0 "[ . ]" 1
426 1 26 VAL HB 1 35 THR H . . 4.300 3.854 3.164 4.163 . 0 0 "[ . ]" 1
427 1 26 VAL HB 1 36 TRP HA . . 5.190 5.177 5.035 5.237 0.047 8 0 "[ . ]" 1
428 1 26 VAL HB 1 37 GLU HG2 . . 3.990 3.564 2.705 3.941 . 0 0 "[ . ]" 1
429 1 26 VAL HB 1 37 GLU HG3 . . 4.120 3.644 3.286 3.958 . 0 0 "[ . ]" 1
430 1 26 VAL MG1 1 27 LYS H . . 4.110 2.741 2.634 2.816 . 0 0 "[ . ]" 1
431 1 26 VAL MG1 1 28 TRP HH2 . . 4.710 4.378 4.258 4.509 . 0 0 "[ . ]" 1
432 1 26 VAL MG1 1 28 TRP HZ2 . . 4.140 3.305 3.253 3.372 . 0 0 "[ . ]" 1
433 1 26 VAL MG1 1 35 THR H . . 4.960 4.846 4.268 5.011 0.051 5 0 "[ . ]" 1
434 1 26 VAL MG1 1 37 GLU HG3 . . 4.670 4.156 3.817 4.441 . 0 0 "[ . ]" 1
435 1 26 VAL MG2 1 27 LYS H . . 4.180 4.110 4.069 4.171 . 0 0 "[ . ]" 1
436 1 26 VAL MG2 1 28 TRP HD1 . . 5.500 4.994 4.667 5.262 . 0 0 "[ . ]" 1
437 1 26 VAL MG2 1 28 TRP HE1 . . 4.920 3.509 3.138 3.791 . 0 0 "[ . ]" 1
438 1 26 VAL MG2 1 28 TRP HH2 . . 5.370 5.277 4.896 5.415 0.045 9 0 "[ . ]" 1
439 1 26 VAL MG2 1 28 TRP HZ2 . . 4.090 3.661 3.334 3.862 . 0 0 "[ . ]" 1
440 1 26 VAL MG2 1 37 GLU HB2 . . 4.990 2.326 1.957 2.668 . 0 0 "[ . ]" 1
441 1 27 LYS H 1 27 LYS HB2 . . 3.740 2.560 2.183 2.773 . 0 0 "[ . ]" 1
442 1 27 LYS H 1 27 LYS QB . . 3.240 2.279 2.137 2.340 . 0 0 "[ . ]" 1
443 1 27 LYS H 1 27 LYS HB3 . . 3.740 2.711 2.424 3.573 . 0 0 "[ . ]" 1
444 1 27 LYS H 1 27 LYS HG2 . . 5.090 4.374 2.893 4.700 . 0 0 "[ . ]" 1
445 1 27 LYS H 1 27 LYS QG . . 4.430 3.871 2.835 4.112 . 0 0 "[ . ]" 1
446 1 27 LYS H 1 27 LYS HG3 . . 5.090 4.406 4.073 4.541 . 0 0 "[ . ]" 1
447 1 27 LYS HA 1 27 LYS QD . . 3.880 2.316 1.987 3.892 0.012 1 0 "[ . ]" 1
448 1 27 LYS HA 1 27 LYS HE2 . . 5.260 4.695 4.184 5.217 . 0 0 "[ . ]" 1
449 1 27 LYS HA 1 27 LYS QE . . 4.410 4.004 3.300 4.435 0.025 1 0 "[ . ]" 1
450 1 27 LYS HA 1 27 LYS HE3 . . 5.260 4.377 3.455 4.799 . 0 0 "[ . ]" 1
451 1 27 LYS HA 1 28 TRP H . . 3.350 2.167 2.126 2.219 . 0 0 "[ . ]" 1
452 1 27 LYS HA 1 28 TRP HB2 . . 5.130 4.682 4.622 4.733 . 0 0 "[ . ]" 1
453 1 27 LYS HA 1 28 TRP HD1 . . 3.750 3.557 3.356 3.691 . 0 0 "[ . ]" 1
454 1 27 LYS HA 1 28 TRP HE1 . . 5.500 5.441 5.303 5.562 0.062 8 0 "[ . ]" 1
455 1 27 LYS HA 1 34 ALA HA . . 3.970 3.586 2.754 3.995 0.025 1 0 "[ . ]" 1
456 1 27 LYS HA 1 34 ALA MB . . 3.570 2.327 1.830 3.014 . 0 0 "[ . ]" 1
457 1 27 LYS HA 1 35 THR H . . 4.780 4.646 4.247 4.854 0.074 2 0 "[ . ]" 1
458 1 27 LYS QB 1 27 LYS QE . . 4.330 3.488 2.136 3.852 . 0 0 "[ . ]" 1
459 1 27 LYS QB 1 28 TRP H . . 4.450 3.878 3.502 3.993 . 0 0 "[ . ]" 1
460 1 27 LYS HB2 1 28 TRP H . . 5.080 4.500 4.341 4.642 . 0 0 "[ . ]" 1
461 1 27 LYS HB3 1 28 TRP H . . 5.080 4.256 3.659 4.460 . 0 0 "[ . ]" 1
462 1 27 LYS QD 1 28 TRP H . . 5.270 3.451 2.841 5.360 0.090 1 0 "[ . ]" 1
463 1 27 LYS QE 1 27 LYS QG . . 3.200 2.259 2.125 2.654 . 0 0 "[ . ]" 1
464 1 27 LYS QG 1 28 TRP H . . 5.340 3.741 3.313 4.682 . 0 0 "[ . ]" 1
465 1 27 LYS QG 1 34 ALA H . . 4.860 5.697 4.462 6.654 1.794 2 7 "[-+**. ***]" 1
466 1 27 LYS QG 1 34 ALA HA . . 5.010 5.516 5.148 5.932 0.922 4 4 "[ *-+. * ]" 1
467 1 28 TRP H 1 28 TRP HB3 . . 3.980 3.648 3.617 3.682 . 0 0 "[ . ]" 1
468 1 28 TRP H 1 28 TRP HD1 . . 3.470 2.249 2.051 2.434 . 0 0 "[ . ]" 1
469 1 28 TRP H 1 28 TRP HE3 . . 5.500 5.465 5.385 5.518 0.018 9 0 "[ . ]" 1
470 1 28 TRP H 1 34 ALA HA . . 5.100 3.115 2.379 3.530 . 0 0 "[ . ]" 1
471 1 28 TRP H 1 34 ALA MB . . 5.270 3.019 2.461 3.677 . 0 0 "[ . ]" 1
472 1 28 TRP HA 1 28 TRP HE3 . . 3.920 3.565 3.403 3.722 . 0 0 "[ . ]" 1
473 1 28 TRP HA 1 29 THR H . . 3.400 2.325 2.179 2.520 . 0 0 "[ . ]" 1
474 1 28 TRP HB2 1 28 TRP HD1 . . 3.840 2.785 2.729 2.845 . 0 0 "[ . ]" 1
475 1 28 TRP HB2 1 28 TRP HE3 . . 4.140 3.996 3.933 4.042 . 0 0 "[ . ]" 1
476 1 28 TRP HB2 1 29 THR H . . 4.180 3.771 3.443 4.062 . 0 0 "[ . ]" 1
477 1 28 TRP HB3 1 29 THR H . . 3.990 2.758 2.418 3.132 . 0 0 "[ . ]" 1
478 1 28 TRP HD1 1 34 ALA HA . . 3.300 2.451 1.826 2.671 . 0 0 "[ . ]" 1
479 1 28 TRP HD1 1 34 ALA MB . . 4.310 3.364 2.868 3.901 . 0 0 "[ . ]" 1
480 1 28 TRP HD1 1 35 THR H . . 3.850 2.784 2.359 3.039 . 0 0 "[ . ]" 1
481 1 28 TRP HD1 1 35 THR MG . . 4.050 3.228 2.768 4.028 . 0 0 "[ . ]" 1
482 1 28 TRP HE1 1 34 ALA HA . . 5.170 4.380 3.966 4.669 . 0 0 "[ . ]" 1
483 1 28 TRP HE1 1 35 THR H . . 4.110 3.220 2.974 3.420 . 0 0 "[ . ]" 1
484 1 28 TRP HE1 1 35 THR MG . . 4.260 2.609 2.163 4.023 . 0 0 "[ . ]" 1
485 1 28 TRP HE1 1 37 GLU HG2 . . 4.980 3.247 2.839 3.746 . 0 0 "[ . ]" 1
486 1 28 TRP HE3 1 29 THR H . . 4.220 3.991 3.731 4.192 . 0 0 "[ . ]" 1
487 1 28 TRP HZ2 1 37 GLU HG2 . . 4.360 3.874 3.449 4.198 . 0 0 "[ . ]" 1
488 1 28 TRP HZ2 1 37 GLU HG3 . . 3.640 2.458 2.069 2.872 . 0 0 "[ . ]" 1
489 1 29 THR H 1 29 THR HB . . 3.650 2.653 2.517 2.790 . 0 0 "[ . ]" 1
490 1 29 THR H 1 29 THR MG . . 3.550 1.974 1.866 2.121 . 0 0 "[ . ]" 1
491 1 29 THR HA 1 29 THR MG . . 3.380 3.215 3.202 3.222 . 0 0 "[ . ]" 1
492 1 29 THR HA 1 30 ASP H . . 3.530 3.479 3.315 3.576 0.046 3 0 "[ . ]" 1
493 1 29 THR HA 1 31 MET H . . 4.810 4.444 3.191 5.463 0.653 8 2 "[ . +-]" 1
494 1 29 THR HB 1 30 ASP H . . 4.350 4.113 3.917 4.425 0.075 9 0 "[ . ]" 1
495 1 29 THR MG 1 30 ASP H . . 4.060 2.336 1.837 2.859 . 0 0 "[ . ]" 1
496 1 29 THR MG 1 30 ASP QB . . 4.040 3.261 2.487 3.986 . 0 0 "[ . ]" 1
497 1 30 ASP H 1 31 MET H . . 4.190 2.590 2.155 3.047 . 0 0 "[ . ]" 1
498 1 30 ASP QB 1 31 MET H . . 4.130 2.858 2.207 3.772 . 0 0 "[ . ]" 1
499 1 31 MET H 1 31 MET QG . . 4.430 3.517 2.072 4.271 . 0 0 "[ . ]" 1
500 1 32 SER QB 1 33 ASP H . . 3.990 3.123 2.777 3.698 . 0 0 "[ . ]" 1
501 1 33 ASP H 1 33 ASP QB . . 3.120 2.534 2.254 2.919 . 0 0 "[ . ]" 1
502 1 33 ASP H 1 34 ALA H . . 4.420 3.178 2.756 3.472 . 0 0 "[ . ]" 1
503 1 33 ASP QB 1 34 ALA H . . 4.370 3.885 3.572 4.016 . 0 0 "[ . ]" 1
504 1 33 ASP QB 1 34 ALA MB . . 5.340 4.966 4.599 5.141 . 0 0 "[ . ]" 1
505 1 34 ALA H 1 34 ALA MB . . 3.290 2.215 2.147 2.272 . 0 0 "[ . ]" 1
506 1 34 ALA HA 1 35 THR H . . 3.170 2.186 2.123 2.242 . 0 0 "[ . ]" 1
507 1 34 ALA MB 1 35 THR H . . 3.660 2.837 2.506 3.450 . 0 0 "[ . ]" 1
508 1 35 THR H 1 35 THR MG . . 3.520 2.202 1.902 3.354 . 0 0 "[ . ]" 1
509 1 35 THR HA 1 35 THR MG . . 3.290 3.101 2.249 3.215 . 0 0 "[ . ]" 1
510 1 35 THR HA 1 36 TRP H . . 3.020 2.262 2.170 2.365 . 0 0 "[ . ]" 1
511 1 35 THR HA 1 36 TRP HD1 . . 4.400 3.582 3.259 4.170 . 0 0 "[ . ]" 1
512 1 35 THR HA 1 37 GLU H . . 5.500 5.568 5.534 5.625 0.125 5 0 "[ . ]" 1
513 1 35 THR HB 1 36 TRP H . . 3.870 3.747 2.920 3.933 0.063 1 0 "[ . ]" 1
514 1 35 THR MG 1 36 TRP H . . 4.120 3.731 3.429 3.926 . 0 0 "[ . ]" 1
515 1 36 TRP H 1 36 TRP HB2 . . 3.300 2.409 2.332 2.459 . 0 0 "[ . ]" 1
516 1 36 TRP H 1 36 TRP HB3 . . 4.130 3.607 3.583 3.626 . 0 0 "[ . ]" 1
517 1 36 TRP H 1 36 TRP HD1 . . 3.470 2.503 2.299 2.858 . 0 0 "[ . ]" 1
518 1 36 TRP H 1 37 GLU H . . 4.890 4.274 4.236 4.301 . 0 0 "[ . ]" 1
519 1 36 TRP HA 1 36 TRP HD1 . . 4.510 4.023 3.899 4.100 . 0 0 "[ . ]" 1
520 1 36 TRP HA 1 36 TRP HE3 . . 3.620 3.370 3.109 3.506 . 0 0 "[ . ]" 1
521 1 36 TRP HA 1 37 GLU H . . 3.130 2.128 2.112 2.159 . 0 0 "[ . ]" 1
522 1 36 TRP HB2 1 36 TRP HD1 . . 3.480 2.720 2.642 2.753 . 0 0 "[ . ]" 1
523 1 36 TRP HB2 1 36 TRP HE1 . . 4.890 4.813 4.788 4.825 . 0 0 "[ . ]" 1
524 1 36 TRP HB3 1 36 TRP HE3 . . 3.720 2.504 2.464 2.601 . 0 0 "[ . ]" 1
525 1 36 TRP HB3 1 37 GLU H . . 4.330 3.719 3.697 3.760 . 0 0 "[ . ]" 1
526 1 36 TRP HB3 1 37 GLU HA . . 5.040 4.808 4.637 4.905 . 0 0 "[ . ]" 1
527 1 36 TRP HE3 1 37 GLU H . . 4.890 4.537 4.034 4.713 . 0 0 "[ . ]" 1
528 1 37 GLU H 1 37 GLU HB2 . . 3.930 2.452 2.360 2.502 . 0 0 "[ . ]" 1
529 1 37 GLU H 1 37 GLU HB3 . . 3.670 3.651 3.606 3.681 0.011 8 0 "[ . ]" 1
530 1 37 GLU H 1 37 GLU HG2 . . 3.890 2.774 2.583 3.077 . 0 0 "[ . ]" 1
531 1 37 GLU H 1 37 GLU HG3 . . 4.630 3.979 3.814 4.190 . 0 0 "[ . ]" 1
532 1 37 GLU H 1 38 PRO QD . . 4.620 4.365 4.331 4.398 . 0 0 "[ . ]" 1
533 1 37 GLU H 1 42 VAL MG1 . . 4.910 4.925 4.762 5.014 0.104 7 0 "[ . ]" 1
534 1 37 GLU H 1 42 VAL MG2 . . 4.180 3.352 3.202 3.578 . 0 0 "[ . ]" 1
535 1 37 GLU HA 1 37 GLU HG2 . . 4.080 2.971 2.842 3.241 . 0 0 "[ . ]" 1
536 1 37 GLU HA 1 38 PRO QD . . 2.870 2.044 1.982 2.083 . 0 0 "[ . ]" 1
537 1 37 GLU HA 1 41 ASN HD21 . . 4.720 4.491 4.041 4.699 . 0 0 "[ . ]" 1
538 1 37 GLU HB2 1 38 PRO QD . . 4.020 3.602 3.446 3.860 . 0 0 "[ . ]" 1
539 1 37 GLU HB2 1 41 ASN HD21 . . 3.710 3.418 3.076 4.159 0.449 7 0 "[ . ]" 1
540 1 37 GLU HB2 1 41 ASN HD22 . . 5.500 4.792 4.486 5.507 0.007 7 0 "[ . ]" 1
541 1 37 GLU HB2 1 42 VAL MG1 . . 4.110 3.788 3.607 3.941 . 0 0 "[ . ]" 1
542 1 37 GLU HB2 1 42 VAL MG2 . . 4.410 1.880 1.786 1.995 . 0 0 "[ . ]" 1
543 1 37 GLU HB3 1 38 PRO QD . . 4.390 2.168 1.963 2.559 . 0 0 "[ . ]" 1
544 1 37 GLU HB3 1 41 ASN HD21 . . 4.820 2.268 2.047 2.676 . 0 0 "[ . ]" 1
545 1 37 GLU HB3 1 42 VAL MG2 . . 4.090 2.534 2.112 2.723 . 0 0 "[ . ]" 1
546 1 37 GLU HG2 1 38 PRO QD . . 4.000 4.172 4.091 4.421 0.421 3 0 "[ . ]" 1
547 1 37 GLU HG2 1 42 VAL MG2 . . 4.150 4.007 3.833 4.166 0.016 5 0 "[ . ]" 1
548 1 37 GLU HG3 1 38 PRO QD . . 4.970 4.101 3.993 4.362 . 0 0 "[ . ]" 1
549 1 37 GLU HG3 1 42 VAL MG1 . . 5.500 5.042 4.617 5.277 . 0 0 "[ . ]" 1
550 1 37 GLU HG3 1 42 VAL MG2 . . 4.830 3.625 3.428 3.712 . 0 0 "[ . ]" 1
551 1 38 PRO HA 1 39 GLN H . . 3.070 2.203 2.167 2.263 . 0 0 "[ . ]" 1
552 1 38 PRO QB 1 39 GLN H . . 3.770 3.023 2.891 3.270 . 0 0 "[ . ]" 1
553 1 38 PRO QD 1 41 ASN HB2 . . 4.110 3.536 3.188 4.009 . 0 0 "[ . ]" 1
554 1 38 PRO QD 1 41 ASN HB3 . . 4.560 2.532 2.159 2.892 . 0 0 "[ . ]" 1
555 1 38 PRO QD 1 41 ASN HD21 . . 3.600 3.330 2.590 3.611 0.011 6 0 "[ . ]" 1
556 1 38 PRO QD 1 41 ASN HD22 . . 4.680 4.535 4.157 4.763 0.083 9 0 "[ . ]" 1
557 1 38 PRO QG 1 41 ASN H . . 3.650 2.819 2.674 2.920 . 0 0 "[ . ]" 1
558 1 38 PRO QG 1 41 ASN HB2 . . 3.600 2.766 2.532 3.260 . 0 0 "[ . ]" 1
559 1 38 PRO QG 1 41 ASN HB3 . . 4.320 2.582 2.348 3.036 . 0 0 "[ . ]" 1
560 1 39 GLN H 1 39 GLN HB2 . . 3.950 2.693 2.479 3.570 . 0 0 "[ . ]" 1
561 1 39 GLN H 1 39 GLN HB3 . . 4.090 3.510 2.907 3.602 . 0 0 "[ . ]" 1
562 1 39 GLN H 1 39 GLN QE . . 5.340 4.683 4.468 4.922 . 0 0 "[ . ]" 1
563 1 39 GLN H 1 39 GLN QG . . 3.230 2.006 1.789 2.162 . 0 0 "[ . ]" 1
564 1 39 GLN H 1 42 VAL H . . 5.030 4.588 4.492 4.659 . 0 0 "[ . ]" 1
565 1 39 GLN H 1 42 VAL HB . . 4.580 4.648 4.598 4.708 0.128 8 0 "[ . ]" 1
566 1 39 GLN H 1 42 VAL MG1 . . 5.500 5.509 5.409 5.542 0.042 6 0 "[ . ]" 1
567 1 39 GLN HA 1 39 GLN QE . . 5.000 4.387 3.883 4.701 . 0 0 "[ . ]" 1
568 1 39 GLN HA 1 42 VAL H . . 3.600 3.183 2.705 3.490 . 0 0 "[ . ]" 1
569 1 39 GLN HA 1 42 VAL HB . . 3.820 2.186 1.877 2.343 . 0 0 "[ . ]" 1
570 1 39 GLN HA 1 42 VAL MG1 . . 3.700 3.622 3.422 3.767 0.067 9 0 "[ . ]" 1
571 1 39 GLN HA 1 42 VAL MG2 . . 4.580 2.614 2.151 2.915 . 0 0 "[ . ]" 1
572 1 39 GLN HB2 1 40 ASP H . . 3.440 2.870 2.449 3.634 0.194 7 0 "[ . ]" 1
573 1 39 GLN HB2 1 42 VAL HB . . 5.300 4.972 3.746 5.228 . 0 0 "[ . ]" 1
574 1 39 GLN HB3 1 42 VAL HB . . 4.530 4.171 3.549 4.397 . 0 0 "[ . ]" 1
575 1 39 GLN HB3 1 47 VAL QG . . 5.280 3.938 2.738 4.597 . 0 0 "[ . ]" 1
576 1 39 GLN QE 1 47 VAL QG . . 4.880 3.916 3.480 4.426 . 0 0 "[ . ]" 1
577 1 40 ASP H 1 40 ASP QB . . 3.030 2.351 2.234 2.548 . 0 0 "[ . ]" 1
578 1 40 ASP H 1 41 ASN H . . 3.350 2.625 2.432 2.833 . 0 0 "[ . ]" 1
579 1 40 ASP H 1 41 ASN HA . . 5.500 5.273 5.115 5.432 . 0 0 "[ . ]" 1
580 1 40 ASP H 1 41 ASN HB3 . . 5.140 4.898 4.647 5.137 . 0 0 "[ . ]" 1
581 1 40 ASP H 1 42 VAL H . . 4.930 3.849 3.718 3.971 . 0 0 "[ . ]" 1
582 1 40 ASP H 1 42 VAL HB . . 5.140 4.992 4.843 5.155 0.015 9 0 "[ . ]" 1
583 1 40 ASP HA 1 42 VAL H . . 4.610 4.428 4.225 4.647 0.037 9 0 "[ . ]" 1
584 1 41 ASN H 1 41 ASN HB2 . . 3.180 2.768 2.627 2.927 . 0 0 "[ . ]" 1
585 1 41 ASN H 1 41 ASN HB3 . . 3.800 2.483 2.418 2.565 . 0 0 "[ . ]" 1
586 1 41 ASN H 1 42 VAL H . . 3.220 2.196 2.081 2.360 . 0 0 "[ . ]" 1
587 1 41 ASN H 1 42 VAL HB . . 5.010 4.496 4.353 4.680 . 0 0 "[ . ]" 1
588 1 41 ASN HB2 1 42 VAL H . . 4.230 4.006 3.901 4.091 . 0 0 "[ . ]" 1
589 1 41 ASN HB3 1 42 VAL H . . 4.660 2.859 2.682 3.003 . 0 0 "[ . ]" 1
590 1 41 ASN HB3 1 42 VAL MG1 . . 5.500 5.502 5.294 5.571 0.071 5 0 "[ . ]" 1
591 1 41 ASN HD21 1 42 VAL MG1 . . 5.500 5.070 4.768 5.608 0.108 2 0 "[ . ]" 1
592 1 42 VAL H 1 42 VAL HB . . 3.310 2.575 2.504 2.671 . 0 0 "[ . ]" 1
593 1 42 VAL H 1 42 VAL MG1 . . 3.920 3.763 3.747 3.780 . 0 0 "[ . ]" 1
594 1 42 VAL H 1 42 VAL MG2 . . 4.210 2.035 1.923 2.093 . 0 0 "[ . ]" 1
595 1 42 VAL H 1 43 ASP H . . 5.300 4.550 4.492 4.592 . 0 0 "[ . ]" 1
596 1 42 VAL HB 1 43 ASP H . . 4.480 4.115 4.016 4.228 . 0 0 "[ . ]" 1
597 1 42 VAL HB 1 47 VAL QG . . 4.580 3.096 2.641 3.764 . 0 0 "[ . ]" 1
598 1 42 VAL MG1 1 43 ASP H . . 3.860 2.594 2.436 2.773 . 0 0 "[ . ]" 1
599 1 43 ASP H 1 43 ASP HB2 . . 3.700 2.559 2.435 2.748 . 0 0 "[ . ]" 1
600 1 43 ASP H 1 43 ASP QB . . 2.910 2.253 2.231 2.288 . 0 0 "[ . ]" 1
601 1 43 ASP H 1 43 ASP HB3 . . 3.700 2.516 2.361 2.599 . 0 0 "[ . ]" 1
602 1 43 ASP H 1 46 LEU QD . . 3.920 3.501 2.865 3.753 . 0 0 "[ . ]" 1
603 1 43 ASP HA 1 44 SER H . . 2.890 2.125 2.092 2.145 . 0 0 "[ . ]" 1
604 1 43 ASP HA 1 46 LEU QD . . 4.740 4.463 4.257 4.552 . 0 0 "[ . ]" 1
605 1 43 ASP QB 1 44 SER H . . 4.380 3.751 3.678 3.850 . 0 0 "[ . ]" 1
606 1 43 ASP QB 1 46 LEU H . . 3.790 3.135 3.020 3.265 . 0 0 "[ . ]" 1
607 1 43 ASP QB 1 46 LEU QD . . 3.500 1.826 1.772 1.906 . 0 0 "[ . ]" 1
608 1 43 ASP QB 1 46 LEU HG . . 3.720 2.776 2.585 2.998 . 0 0 "[ . ]" 1
609 1 43 ASP QB 1 47 VAL H . . 4.670 3.975 3.793 4.198 . 0 0 "[ . ]" 1
610 1 43 ASP HB2 1 46 LEU QD . . 4.000 2.932 2.787 3.073 . 0 0 "[ . ]" 1
611 1 43 ASP HB2 1 46 LEU HG . . 4.390 4.109 3.907 4.348 . 0 0 "[ . ]" 1
612 1 43 ASP HB3 1 46 LEU QD . . 4.000 1.846 1.789 1.940 . 0 0 "[ . ]" 1
613 1 43 ASP HB3 1 46 LEU HG . . 4.390 2.825 2.614 3.059 . 0 0 "[ . ]" 1
614 1 44 SER H 1 44 SER QB . . 3.190 2.465 2.231 2.756 . 0 0 "[ . ]" 1
615 1 44 SER H 1 45 THR H . . 3.960 2.527 2.468 2.592 . 0 0 "[ . ]" 1
616 1 44 SER H 1 46 LEU QD . . 5.500 5.279 5.081 5.358 . 0 0 "[ . ]" 1
617 1 44 SER H 1 47 VAL HB . . 5.260 4.924 4.603 5.259 . 0 0 "[ . ]" 1
618 1 44 SER HA 1 45 THR H . . 3.400 3.458 3.427 3.479 0.079 5 0 "[ . ]" 1
619 1 44 SER HA 1 47 VAL H . . 4.040 3.251 2.854 3.657 . 0 0 "[ . ]" 1
620 1 44 SER HA 1 47 VAL HB . . 3.320 2.586 1.802 3.348 0.028 4 0 "[ . ]" 1
621 1 44 SER HA 1 47 VAL QG . . 3.610 2.208 1.737 2.862 . 0 0 "[ . ]" 1
622 1 44 SER QB 1 47 VAL HB . . 5.090 4.409 3.452 5.143 0.053 7 0 "[ . ]" 1
623 1 44 SER QB 1 47 VAL QG . . 4.390 3.520 3.086 4.097 . 0 0 "[ . ]" 1
624 1 45 THR H 1 45 THR HB . . 3.570 2.636 2.532 2.741 . 0 0 "[ . ]" 1
625 1 45 THR H 1 45 THR MG . . 3.940 3.757 3.741 3.773 . 0 0 "[ . ]" 1
626 1 45 THR H 1 46 LEU H . . 3.430 2.573 2.457 2.663 . 0 0 "[ . ]" 1
627 1 45 THR H 1 46 LEU QD . . 4.980 4.574 4.474 4.651 . 0 0 "[ . ]" 1
628 1 45 THR H 1 47 VAL H . . 4.670 3.870 3.767 3.940 . 0 0 "[ . ]" 1
629 1 45 THR HA 1 45 THR MG . . 3.270 2.331 2.275 2.397 . 0 0 "[ . ]" 1
630 1 45 THR HA 1 48 LEU H . . 4.130 3.646 3.446 3.845 . 0 0 "[ . ]" 1
631 1 45 THR HA 1 48 LEU QB . . 3.650 2.940 2.630 3.124 . 0 0 "[ . ]" 1
632 1 45 THR HA 1 48 LEU QD . . 3.980 3.290 2.087 4.035 0.055 8 0 "[ . ]" 1
633 1 45 THR HB 1 46 LEU H . . 3.830 2.444 2.342 2.562 . 0 0 "[ . ]" 1
634 1 45 THR HB 1 46 LEU QB . . 4.750 4.404 3.648 4.538 . 0 0 "[ . ]" 1
635 1 45 THR MG 1 46 LEU H . . 4.040 3.554 3.407 3.781 . 0 0 "[ . ]" 1
636 1 45 THR MG 1 48 LEU H . . 5.160 4.891 4.700 5.091 . 0 0 "[ . ]" 1
637 1 46 LEU H 1 46 LEU QB . . 3.020 2.449 2.263 2.536 . 0 0 "[ . ]" 1
638 1 46 LEU H 1 46 LEU QD . . 3.540 3.016 2.905 3.111 . 0 0 "[ . ]" 1
639 1 46 LEU H 1 46 LEU HG . . 3.600 2.191 1.960 2.684 . 0 0 "[ . ]" 1
640 1 46 LEU H 1 47 VAL H . . 3.110 2.582 2.507 2.704 . 0 0 "[ . ]" 1
641 1 46 LEU H 1 47 VAL QG . . 4.300 4.134 3.938 4.231 . 0 0 "[ . ]" 1
642 1 46 LEU H 1 48 LEU H . . 4.390 4.047 3.882 4.184 . 0 0 "[ . ]" 1
643 1 46 LEU H 1 49 LEU QD . . 5.500 4.306 4.172 4.444 . 0 0 "[ . ]" 1
644 1 46 LEU HA 1 46 LEU QD . . 3.140 2.235 2.032 3.224 0.084 7 0 "[ . ]" 1
645 1 46 LEU HA 1 47 VAL HA . . 5.200 4.792 4.692 4.842 . 0 0 "[ . ]" 1
646 1 46 LEU HA 1 49 LEU HG . . 4.150 2.276 2.047 2.511 . 0 0 "[ . ]" 1
647 1 46 LEU QB 1 47 VAL H . . 3.340 2.609 2.426 3.375 0.035 7 0 "[ . ]" 1
648 1 46 LEU QB 1 49 LEU H . . 5.170 4.571 4.472 4.691 . 0 0 "[ . ]" 1
649 1 46 LEU QD 1 47 VAL H . . 4.860 3.855 2.755 4.040 . 0 0 "[ . ]" 1
650 1 47 VAL H 1 47 VAL HB . . 2.970 2.405 2.305 2.510 . 0 0 "[ . ]" 1
651 1 47 VAL H 1 47 VAL QG . . 3.030 2.349 2.103 2.649 . 0 0 "[ . ]" 1
652 1 47 VAL H 1 48 LEU H . . 3.210 2.700 2.581 2.788 . 0 0 "[ . ]" 1
653 1 47 VAL H 1 49 LEU H . . 4.760 4.056 3.998 4.139 . 0 0 "[ . ]" 1
654 1 47 VAL HA 1 47 VAL QG . . 3.140 2.124 2.073 2.192 . 0 0 "[ . ]" 1
655 1 47 VAL HA 1 48 LEU HA . . 5.500 4.828 4.797 4.853 . 0 0 "[ . ]" 1
656 1 47 VAL HA 1 49 LEU H . . 4.530 3.913 3.823 4.028 . 0 0 "[ . ]" 1
657 1 47 VAL HA 1 49 LEU QB . . 4.760 4.803 4.509 5.819 1.059 3 1 "[ + . ]" 1
658 1 47 VAL HA 1 50 TYR H . . 4.190 3.222 3.076 3.467 . 0 0 "[ . ]" 1
659 1 47 VAL HA 1 51 GLN H . . 4.840 4.050 3.759 4.481 . 0 0 "[ . ]" 1
660 1 47 VAL HB 1 48 LEU H . . 3.920 3.179 2.631 3.851 . 0 0 "[ . ]" 1
661 1 47 VAL QG 1 48 LEU H . . 3.890 2.717 2.147 3.240 . 0 0 "[ . ]" 1
662 1 47 VAL QG 1 48 LEU QB . . 3.440 3.712 3.056 4.527 1.087 9 4 "[* .* -+]" 1
663 1 47 VAL QG 1 50 TYR QD . . 4.770 3.716 3.134 4.227 . 0 0 "[ . ]" 1
664 1 47 VAL QG 1 51 GLN H . . 4.750 3.459 3.114 3.805 . 0 0 "[ . ]" 1
665 1 47 VAL QG 1 51 GLN HG2 . . 4.400 3.241 2.523 3.696 . 0 0 "[ . ]" 1
666 1 47 VAL QG 1 51 GLN QG . . 3.800 2.260 1.835 2.743 . 0 0 "[ . ]" 1
667 1 47 VAL QG 1 51 GLN HG3 . . 4.400 2.366 1.847 3.008 . 0 0 "[ . ]" 1
668 1 48 LEU H 1 48 LEU HB2 . . 3.680 2.417 2.323 2.460 . 0 0 "[ . ]" 1
669 1 48 LEU H 1 48 LEU QB . . 2.910 2.247 2.167 2.369 . 0 0 "[ . ]" 1
670 1 48 LEU H 1 48 LEU HB3 . . 3.680 2.789 2.532 3.578 . 0 0 "[ . ]" 1
671 1 48 LEU H 1 48 LEU HG . . 4.700 4.028 2.383 4.523 . 0 0 "[ . ]" 1
672 1 48 LEU H 1 49 LEU H . . 3.360 2.688 2.661 2.721 . 0 0 "[ . ]" 1
673 1 48 LEU H 1 49 LEU QD . . 5.200 4.440 4.330 4.674 . 0 0 "[ . ]" 1
674 1 48 LEU H 1 50 TYR H . . 4.370 4.069 3.957 4.207 . 0 0 "[ . ]" 1
675 1 48 LEU H 1 51 GLN H . . 5.090 4.695 4.639 4.752 . 0 0 "[ . ]" 1
676 1 48 LEU HA 1 48 LEU HG . . 4.210 3.079 2.451 3.702 . 0 0 "[ . ]" 1
677 1 48 LEU HA 1 50 TYR H . . 4.350 3.996 3.897 4.161 . 0 0 "[ . ]" 1
678 1 48 LEU HA 1 51 GLN H . . 4.140 3.346 3.028 3.659 . 0 0 "[ . ]" 1
679 1 48 LEU QD 1 51 GLN H . . 4.650 4.430 4.016 4.673 0.023 1 0 "[ . ]" 1
680 1 48 LEU QD 1 52 GLN H . . 4.700 3.979 3.461 4.753 0.053 1 0 "[ . ]" 1
681 1 49 LEU H 1 49 LEU QD . . 3.720 2.880 2.825 3.067 . 0 0 "[ . ]" 1
682 1 49 LEU H 1 49 LEU HG . . 2.830 2.092 2.038 2.194 . 0 0 "[ . ]" 1
683 1 49 LEU H 1 51 GLN H . . 4.800 4.085 3.842 4.291 . 0 0 "[ . ]" 1
684 1 49 LEU HA 1 49 LEU QD . . 3.060 2.215 2.020 3.277 0.217 3 0 "[ . ]" 1
685 1 49 LEU HA 1 52 GLN QB . . 3.370 3.091 2.532 3.441 0.071 6 0 "[ . ]" 1
686 1 49 LEU HA 1 52 GLN QG . . 4.010 3.077 1.879 3.959 . 0 0 "[ . ]" 1
687 1 49 LEU QB 1 50 TYR H . . 3.600 2.938 2.762 3.721 0.121 3 0 "[ . ]" 1
688 1 49 LEU QD 1 50 TYR H . . 4.460 3.939 2.623 4.115 . 0 0 "[ . ]" 1
689 1 49 LEU QD 1 52 GLN QB . . 4.450 4.132 3.992 4.304 . 0 0 "[ . ]" 1
690 1 49 LEU HG 1 50 TYR H . . 4.150 4.022 3.012 4.189 0.039 7 0 "[ . ]" 1
691 1 50 TYR H 1 50 TYR HB2 . . 3.210 2.725 2.609 2.819 . 0 0 "[ . ]" 1
692 1 50 TYR H 1 50 TYR HB3 . . 3.070 2.524 2.389 2.655 . 0 0 "[ . ]" 1
693 1 50 TYR H 1 50 TYR QD . . 4.300 4.230 4.163 4.264 . 0 0 "[ . ]" 1
694 1 50 TYR H 1 51 GLN H . . 3.310 2.363 2.277 2.478 . 0 0 "[ . ]" 1
695 1 50 TYR H 1 51 GLN HA . . 5.170 5.008 4.945 5.083 . 0 0 "[ . ]" 1
696 1 50 TYR H 1 51 GLN HB2 . . 4.750 4.465 4.276 4.553 . 0 0 "[ . ]" 1
697 1 50 TYR H 1 51 GLN QG . . 4.900 4.028 3.749 4.282 . 0 0 "[ . ]" 1
698 1 50 TYR H 1 52 GLN H . . 3.960 3.726 3.621 3.820 . 0 0 "[ . ]" 1
699 1 50 TYR H 1 53 GLN QG . . 5.340 4.736 4.360 5.032 . 0 0 "[ . ]" 1
700 1 50 TYR HA 1 50 TYR QD . . 3.260 2.771 2.453 2.951 . 0 0 "[ . ]" 1
701 1 50 TYR HA 1 53 GLN QG . . 4.500 2.817 2.274 3.355 . 0 0 "[ . ]" 1
702 1 50 TYR HB2 1 51 GLN H . . 4.320 3.822 3.654 3.957 . 0 0 "[ . ]" 1
703 1 50 TYR HB3 1 51 GLN H . . 3.480 2.532 2.238 2.743 . 0 0 "[ . ]" 1
704 1 50 TYR QD 1 51 GLN H . . 3.720 3.517 2.992 3.756 0.036 4 0 "[ . ]" 1
705 1 50 TYR QD 1 51 GLN HA . . 4.000 3.484 3.136 3.963 . 0 0 "[ . ]" 1
706 1 50 TYR QD 1 51 GLN HG2 . . 4.540 3.573 2.887 4.344 . 0 0 "[ . ]" 1
707 1 50 TYR QD 1 51 GLN HG3 . . 4.540 3.822 2.719 4.570 0.030 5 0 "[ . ]" 1
708 1 50 TYR QD 1 54 GLN QG . . 4.180 3.307 2.520 3.794 . 0 0 "[ . ]" 1
709 1 50 TYR QE 1 51 GLN HA . . 5.120 4.830 4.230 5.167 0.047 6 0 "[ . ]" 1
710 1 50 TYR QE 1 54 GLN QG . . 3.740 3.130 2.381 3.770 0.030 2 0 "[ . ]" 1
711 1 51 GLN H 1 51 GLN HB2 . . 3.210 2.504 2.402 2.575 . 0 0 "[ . ]" 1
712 1 51 GLN H 1 51 GLN HB3 . . 3.700 3.606 3.594 3.624 . 0 0 "[ . ]" 1
713 1 51 GLN H 1 51 GLN HG2 . . 4.140 3.209 2.417 3.512 . 0 0 "[ . ]" 1
714 1 51 GLN H 1 51 GLN QG . . 3.420 2.219 2.106 2.388 . 0 0 "[ . ]" 1
715 1 51 GLN H 1 51 GLN HG3 . . 4.140 2.397 2.130 3.717 . 0 0 "[ . ]" 1
716 1 51 GLN H 1 52 GLN H . . 3.400 2.713 2.507 2.920 . 0 0 "[ . ]" 1
717 1 51 GLN H 1 53 GLN QG . . 5.340 5.015 4.477 5.346 0.006 2 0 "[ . ]" 1
718 1 51 GLN HA 1 51 GLN HG2 . . 4.210 2.526 2.366 2.915 . 0 0 "[ . ]" 1
719 1 51 GLN HA 1 51 GLN QG . . 3.470 2.434 2.299 2.812 . 0 0 "[ . ]" 1
720 1 51 GLN HA 1 51 GLN HG3 . . 4.210 3.195 2.999 3.699 . 0 0 "[ . ]" 1
721 1 51 GLN HA 1 53 GLN H . . 4.680 3.801 3.595 3.941 . 0 0 "[ . ]" 1
722 1 51 GLN HA 1 54 GLN H . . 4.380 3.234 2.995 3.595 . 0 0 "[ . ]" 1
723 1 51 GLN HA 1 54 GLN QB . . 4.520 2.535 1.807 3.355 . 0 0 "[ . ]" 1
724 1 51 GLN HA 1 54 GLN HE21 . . 5.500 5.032 3.995 5.538 0.038 6 0 "[ . ]" 1
725 1 51 GLN HA 1 54 GLN HG2 . . 4.080 2.887 1.861 3.402 . 0 0 "[ . ]" 1
726 1 51 GLN HA 1 54 GLN HG3 . . 4.080 3.007 2.221 3.789 . 0 0 "[ . ]" 1
727 1 51 GLN HB2 1 52 GLN H . . 4.560 2.867 2.700 3.025 . 0 0 "[ . ]" 1
728 1 51 GLN HB2 1 52 GLN HA . . 4.380 4.412 4.326 4.483 0.103 5 0 "[ . ]" 1
729 1 52 GLN H 1 52 GLN QB . . 2.880 2.392 2.345 2.500 . 0 0 "[ . ]" 1
730 1 52 GLN H 1 52 GLN HG2 . . 4.200 2.568 2.238 3.694 . 0 0 "[ . ]" 1
731 1 52 GLN H 1 52 GLN QG . . 3.330 2.406 2.220 2.526 . 0 0 "[ . ]" 1
732 1 52 GLN H 1 52 GLN HG3 . . 4.200 3.613 2.511 3.868 . 0 0 "[ . ]" 1
733 1 52 GLN H 1 53 GLN H . . 3.670 2.578 2.481 2.655 . 0 0 "[ . ]" 1
734 1 52 GLN HA 1 52 GLN HG2 . . 3.940 3.135 2.496 3.779 . 0 0 "[ . ]" 1
735 1 52 GLN HA 1 52 GLN HG3 . . 3.940 3.623 2.968 3.753 . 0 0 "[ . ]" 1
736 1 52 GLN QB 1 53 GLN H . . 4.040 3.173 2.820 3.751 . 0 0 "[ . ]" 1
737 1 53 GLN H 1 53 GLN HB2 . . 4.010 2.757 2.402 3.730 . 0 0 "[ . ]" 1
738 1 53 GLN H 1 53 GLN QB . . 3.480 2.558 2.369 2.988 . 0 0 "[ . ]" 1
739 1 53 GLN H 1 53 GLN HB3 . . 4.010 3.518 3.086 3.656 . 0 0 "[ . ]" 1
740 1 53 GLN H 1 53 GLN QG . . 3.440 2.330 1.934 2.568 . 0 0 "[ . ]" 1
741 1 53 GLN HA 1 53 GLN QG . . 3.490 2.726 2.387 3.435 . 0 0 "[ . ]" 1
742 1 53 GLN QG 1 54 GLN H . . 4.370 3.995 3.204 4.354 . 0 0 "[ . ]" 1
743 1 54 GLN H 1 54 GLN HB2 . . 3.640 2.417 2.284 2.909 . 0 0 "[ . ]" 1
744 1 54 GLN H 1 54 GLN HB3 . . 3.640 3.432 2.264 3.611 . 0 0 "[ . ]" 1
745 1 54 GLN H 1 54 GLN HE21 . . 5.300 4.402 3.514 5.351 0.051 7 0 "[ . ]" 1
746 1 54 GLN H 1 54 GLN QG . . 3.520 2.786 2.334 3.840 0.320 9 0 "[ . ]" 1
747 1 54 GLN HA 1 54 GLN HE21 . . 4.790 2.913 2.178 3.929 . 0 0 "[ . ]" 1
748 1 54 GLN HA 1 54 GLN HE22 . . 4.890 3.477 3.079 3.982 . 0 0 "[ . ]" 1
749 1 54 GLN HA 1 55 PRO HD2 . . 3.250 2.423 1.968 2.909 . 0 0 "[ . ]" 1
750 1 54 GLN HA 1 55 PRO QD . . 2.840 1.898 1.784 2.074 . 0 0 "[ . ]" 1
751 1 54 GLN HA 1 55 PRO HD3 . . 3.250 2.129 1.803 2.460 . 0 0 "[ . ]" 1
752 1 54 GLN HA 1 55 PRO QG . . 4.640 3.795 3.664 3.975 . 0 0 "[ . ]" 1
753 1 54 GLN QB 1 54 GLN HE21 . . 4.270 2.984 1.754 3.995 . 0 0 "[ . ]" 1
754 1 54 GLN HE22 1 55 PRO QG . . 5.350 4.761 3.962 5.396 0.046 8 0 "[ . ]" 1
755 1 54 GLN QG 1 55 PRO QD . . 3.810 3.735 3.251 3.929 0.119 1 0 "[ . ]" 1
756 1 55 PRO HA 1 56 MET H . . 3.180 2.185 2.127 2.241 . 0 0 "[ . ]" 1
757 1 55 PRO HA 1 56 MET HB2 . . 4.580 4.633 4.590 4.689 0.109 4 0 "[ . ]" 1
758 1 55 PRO HA 1 56 MET HB3 . . 4.580 4.629 4.588 4.704 0.124 4 0 "[ . ]" 1
759 1 56 MET H 1 56 MET QB . . 3.490 2.334 2.221 2.588 . 0 0 "[ . ]" 1
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