NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631778 |
5zb6   |
16864 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5zb6
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 867
_Distance_constraint_stats_list.Viol_count 1049
_Distance_constraint_stats_list.Viol_total 3965.020
_Distance_constraint_stats_list.Viol_max 1.568
_Distance_constraint_stats_list.Viol_rms 0.1703
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0457
_Distance_constraint_stats_list.Viol_average_violations_only 0.3780
_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 24 MET 0.224 0.095 1 0 "[ . 1]"
1 25 ALA 0.224 0.095 1 0 "[ . 1]"
1 26 GLU 0.325 0.220 4 0 "[ . 1]"
1 27 HIS 0.325 0.220 4 0 "[ . 1]"
1 28 GLN 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 0.165 0.165 6 0 "[ . 1]"
1 30 GLY 0.165 0.165 6 0 "[ . 1]"
1 32 ILE 0.725 0.725 5 1 "[ + 1]"
1 33 ALA 6.324 1.171 10 6 "[* ** -*+]"
1 34 GLY 0.484 0.245 9 0 "[ . 1]"
1 35 ALA 14.646 1.536 6 7 "[* - .+****]"
1 36 ILE 13.944 1.171 10 10 [*******-*+]
1 37 LYS 2.545 0.637 3 1 "[ + . 1]"
1 38 SER 6.755 0.804 6 3 "[ *- .+ 1]"
1 39 LYS 13.825 0.691 3 5 "[ + * *-*]"
1 40 VAL 12.589 0.807 7 7 "[****.-+* 1]"
1 41 GLU 12.164 0.786 7 5 "[ -* . +**1]"
1 42 ALA 3.410 0.737 3 2 "[ + .- 1]"
1 43 ALA 6.436 0.598 10 1 "[ . +]"
1 44 LEU 5.540 0.642 8 1 "[ . + 1]"
1 45 SER 4.312 0.731 8 2 "[ . + -]"
1 47 THR 23.868 1.348 9 7 "[** * *-+*]"
1 48 HIS 9.157 1.040 6 5 "[ *+-**1]"
1 49 PHE 14.435 1.121 4 7 "[* *+* **-]"
1 50 LYS 6.673 0.810 4 5 "[ +* *-*]"
1 51 LEU 17.338 0.989 2 6 "[-+* * **1]"
1 52 ILE 8.531 0.898 3 5 "[ +-* **1]"
1 53 ASN 6.544 0.699 6 2 "[ -+ 1]"
1 54 ASP 5.958 1.139 1 5 "[+* . ** -]"
1 55 SER 20.002 1.534 8 10 [*******+*-]
1 56 HIS 14.715 1.534 8 10 [**-****+**]
1 57 LYS 5.801 0.850 2 4 "[*+ * * 1]"
1 58 HIS 4.832 0.843 5 4 "[*- + * 1]"
1 59 ALA 3.319 1.470 3 2 "[ +-. 1]"
1 60 GLY 1.564 0.549 6 1 "[ .+ 1]"
1 61 HIS 1.568 0.314 9 0 "[ . 1]"
1 62 TYR 4.236 1.470 3 3 "[ +*.- 1]"
1 63 ALA 1.311 0.622 3 1 "[ + . 1]"
1 64 ARG 3.277 0.989 9 2 "[- . +1]"
1 65 ASP 7.939 1.345 7 5 "[* -*. +* 1]"
1 66 GLY 3.794 0.989 9 1 "[ . +1]"
1 67 SER 11.715 1.536 3 6 "[* +*.*** 1]"
1 68 THR 1.701 0.553 1 1 "[+ . 1]"
1 69 ALA 8.659 1.536 3 4 "[* + .** 1]"
1 70 SER 6.684 1.022 1 5 "[+ - *** 1]"
1 71 ASP 6.150 1.568 7 4 "[ * -. + *]"
1 72 ALA 7.345 1.101 9 4 "[- ** +1]"
1 73 GLY 4.158 1.505 10 2 "[ .- +]"
1 74 GLU 7.125 1.101 9 4 "[ -* * +1]"
1 75 THR 23.405 1.505 10 9 "[****** *-+]"
1 76 HIS 22.461 1.565 10 9 "[-******* +]"
1 77 PHE 11.721 1.024 6 5 "[* *+ -*1]"
1 78 ARG 9.515 0.898 3 3 "[ *+-. 1]"
1 79 LEU 18.235 1.042 2 5 "[*+* * -1]"
1 80 GLU 4.223 0.919 6 2 "[ .+ -1]"
1 81 VAL 12.567 1.121 4 6 "[ - +* ** *]"
1 82 THR 20.200 1.502 5 10 [****+-****]
1 83 SER 26.286 1.191 3 10 [**+****-**]
1 84 ASP 12.823 1.348 9 5 "[* - * +*]"
1 85 ALA 12.317 1.417 4 5 "[ +** -*1]"
1 86 PHE 7.058 0.980 4 5 "[ **+*- 1]"
1 87 LYS 26.636 1.417 4 8 "[ *-+** ***]"
1 88 GLY 7.320 1.065 4 7 "[***+** *]"
1 89 LEU 9.261 1.065 4 5 "[ **+.* - 1]"
1 90 THR 10.097 1.364 2 5 "[ +*-.* * 1]"
1 91 LEU 13.539 1.114 8 8 "[*****- + *]"
1 92 VAL 7.809 1.329 6 4 "[ -* .+ *1]"
1 93 LYS 6.424 1.364 2 4 "[ +*-.* 1]"
1 94 ARG 7.327 0.759 4 5 "[ * +- * *]"
1 95 HIS 8.846 1.114 8 7 "[ ****- + *]"
1 96 GLN 5.646 0.542 2 1 "[ + . 1]"
1 97 LEU 4.435 0.714 6 1 "[ .+ 1]"
1 98 ILE 18.720 0.965 10 9 [*-**.****+]
1 99 TYR 0.259 0.159 7 0 "[ . 1]"
1 100 GLY 4.270 0.989 2 4 "[-+ * * 1]"
1 101 LEU 6.695 0.971 5 5 "[* * + * *]"
1 102 LEU 0.217 0.181 9 0 "[ . 1]"
1 103 SER 9.732 1.536 6 7 "[* - .+****]"
1 104 ASP 1.197 0.460 7 0 "[ . 1]"
1 105 GLU 14.036 1.024 6 4 "[* .+ -*1]"
1 106 PHE 1.279 0.452 3 0 "[ . 1]"
1 107 LYS 8.436 0.845 1 4 "[+ * *-]"
1 108 ALA 11.185 1.565 10 6 "[* *.* **+]"
1 109 GLY 0.000 0.000 . 0 "[ . 1]"
1 110 LEU 13.989 1.568 7 7 "[-* .*+***]"
1 111 HIS 16.945 1.370 6 9 "[*****+ *-*]"
1 112 ALA 5.341 0.681 2 4 "[ +* .- * 1]"
1 113 LEU 7.263 0.870 3 5 "[ *+-.* *1]"
1 114 SER 4.834 0.756 9 2 "[ - . +1]"
1 115 MET 5.534 1.042 2 4 "[ +- ** 1]"
1 116 THR 11.538 1.329 6 8 "[ ****+ ***]"
1 117 THR 16.922 1.502 5 10 [*-**+*****]
1 118 LYS 13.042 1.191 3 9 "[ *+**-****]"
1 119 THR 9.104 0.840 8 5 "[ * *- +*1]"
1 121 ALA 0.000 0.000 . 0 "[ . 1]"
1 122 GLU 0.000 0.000 . 0 "[ . 1]"
1 123 GLN 0.000 0.000 . 0 "[ . 1]"
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 24 MET H 1 24 MET HG3 . . 5.000 3.320 2.105 4.655 . 0 0 "[ . 1]" 1
2 1 26 GLU H 1 26 GLU HG2 . . 5.000 3.097 1.738 4.849 . 0 0 "[ . 1]" 1
3 1 29 LEU H 1 29 LEU HG . . 5.000 3.607 1.876 4.693 . 0 0 "[ . 1]" 1
4 1 37 LYS H 1 37 LYS HG2 . . 5.000 3.101 2.039 4.242 . 0 0 "[ . 1]" 1
5 1 39 LYS H 1 39 LYS HG3 . . 5.000 3.442 2.935 3.739 . 0 0 "[ . 1]" 1
6 1 39 LYS H 1 39 LYS QD . . 5.000 4.008 3.742 4.185 . 0 0 "[ . 1]" 1
7 1 41 GLU H 1 41 GLU QG . . 5.000 2.307 1.887 4.024 . 0 0 "[ . 1]" 1
8 1 44 LEU H 1 44 LEU MD1 . . 5.000 3.618 3.415 3.872 . 0 0 "[ . 1]" 1
9 1 50 LYS H 1 50 LYS HG2 . . 5.000 4.353 4.212 4.597 . 0 0 "[ . 1]" 1
10 1 51 LEU H 1 51 LEU MD1 . . 5.000 4.584 4.335 4.667 . 0 0 "[ . 1]" 1
11 1 55 SER H 1 55 SER HG . . 5.000 3.751 2.538 4.906 . 0 0 "[ . 1]" 1
12 1 57 LYS H 1 57 LYS QG . . 5.000 2.592 1.561 4.082 . 0 0 "[ . 1]" 1
13 1 64 ARG H 1 64 ARG HG2 . . 5.000 4.620 4.213 5.196 0.196 5 0 "[ . 1]" 1
14 1 75 THR H 1 75 THR HG1 . . 5.000 3.371 2.476 3.631 . 0 0 "[ . 1]" 1
15 1 76 HIS H 1 76 HIS HD2 . . 5.000 3.759 1.697 5.429 0.429 9 0 "[ . 1]" 1
16 1 76 HIS HA 1 76 HIS HD2 . . 5.000 3.455 2.158 5.043 0.043 6 0 "[ . 1]" 1
17 1 78 ARG H 1 78 ARG QG . . 5.000 2.718 2.293 4.001 . 0 0 "[ . 1]" 1
18 1 78 ARG HA 1 78 ARG QD . . 5.000 4.384 4.023 4.558 . 0 0 "[ . 1]" 1
19 1 79 LEU H 1 79 LEU HG . . 5.000 4.824 4.506 4.897 . 0 0 "[ . 1]" 1
20 1 79 LEU H 1 79 LEU QD . . 5.000 3.717 3.669 3.895 . 0 0 "[ . 1]" 1
21 1 87 LYS H 1 87 LYS HD2 . . 5.000 4.288 1.665 4.925 . 0 0 "[ . 1]" 1
22 1 89 LEU H 1 89 LEU QD . . 5.000 3.029 1.782 3.901 . 0 0 "[ . 1]" 1
23 1 89 LEU H 1 89 LEU HG . . 5.000 3.093 1.836 4.850 . 0 0 "[ . 1]" 1
24 1 91 LEU H 1 91 LEU HG . . 5.000 3.330 2.475 3.676 . 0 0 "[ . 1]" 1
25 1 93 LYS H 1 93 LYS QG . . 5.000 3.966 3.890 4.020 . 0 0 "[ . 1]" 1
26 1 94 ARG H 1 94 ARG QG . . 5.000 3.259 2.311 4.120 . 0 0 "[ . 1]" 1
27 1 96 GLN H 1 96 GLN QG . . 5.000 3.990 3.947 4.062 . 0 0 "[ . 1]" 1
28 1 101 LEU H 1 101 LEU HG . . 5.000 4.250 3.841 4.620 . 0 0 "[ . 1]" 1
29 1 107 LYS H 1 107 LYS HG2 . . 5.000 4.160 2.779 4.476 . 0 0 "[ . 1]" 1
30 1 118 LYS H 1 118 LYS QG . . 5.000 4.158 3.983 4.368 . 0 0 "[ . 1]" 1
31 1 24 MET HA 1 25 ALA H . . 5.000 2.602 2.098 3.574 . 0 0 "[ . 1]" 1
32 1 24 MET HG3 1 25 ALA H . . 5.000 4.358 2.932 5.095 0.095 1 0 "[ . 1]" 1
33 1 25 ALA HA 1 26 GLU H . . 5.000 2.454 2.140 3.548 . 0 0 "[ . 1]" 1
34 1 26 GLU HA 1 27 HIS H . . 5.000 2.437 2.104 3.178 . 0 0 "[ . 1]" 1
35 1 26 GLU HG2 1 27 HIS H . . 5.000 4.539 3.746 5.220 0.220 4 0 "[ . 1]" 1
36 1 28 GLN HA 1 29 LEU H . . 5.000 2.283 2.117 2.709 . 0 0 "[ . 1]" 1
37 1 29 LEU HA 1 30 GLY H . . 5.000 2.654 2.155 3.561 . 0 0 "[ . 1]" 1
38 1 29 LEU HG 1 30 GLY H . . 5.000 4.028 2.056 5.165 0.165 6 0 "[ . 1]" 1
39 1 32 ILE HA 1 33 ALA H . . 5.000 3.102 2.286 3.567 . 0 0 "[ . 1]" 1
40 1 32 ILE MD 1 52 ILE HA . . 5.500 3.764 2.304 6.225 0.725 5 1 "[ + 1]" 1
41 1 33 ALA HA 1 34 GLY H . . 5.000 2.681 2.334 3.566 . 0 0 "[ . 1]" 1
42 1 33 ALA HA 1 36 ILE H . . 5.000 4.666 4.307 4.893 . 0 0 "[ . 1]" 1
43 1 33 ALA HA 1 34 GLY QA . . 5.000 4.037 3.924 4.392 . 0 0 "[ . 1]" 1
44 1 33 ALA HA 1 36 ILE MG . . 5.200 4.462 3.469 5.074 . 0 0 "[ . 1]" 1
45 1 33 ALA HA 1 36 ILE MD . . 5.200 5.255 3.556 5.993 0.793 5 4 "[* + -*1]" 1
46 1 33 ALA HA 1 36 ILE HB . . 5.000 5.196 4.572 6.171 1.171 10 2 "[ .- +]" 1
47 1 34 GLY QA 1 35 ALA H . . 5.000 2.741 2.683 2.804 . 0 0 "[ . 1]" 1
48 1 34 GLY QA 1 37 LYS HG2 . . 5.900 4.560 3.309 6.145 0.245 9 0 "[ . 1]" 1
49 1 34 GLY H 1 35 ALA H . . 5.000 2.703 2.603 2.809 . 0 0 "[ . 1]" 1
50 1 34 GLY QA 1 104 ASP HB2 . . 5.800 4.519 3.483 5.099 . 0 0 "[ . 1]" 1
51 1 34 GLY QA 1 37 LYS HB2 . . 5.000 4.310 3.493 5.061 0.061 3 0 "[ . 1]" 1
52 1 34 GLY QA 1 35 ALA MB . . 5.000 4.159 4.105 4.221 . 0 0 "[ . 1]" 1
53 1 34 GLY QA 1 36 ILE H . . 5.000 3.680 3.412 4.165 . 0 0 "[ . 1]" 1
54 1 35 ALA HA 1 36 ILE H . . 3.500 3.475 3.423 3.556 0.056 6 0 "[ . 1]" 1
55 1 35 ALA HA 1 38 SER H . . 5.000 3.647 3.046 3.938 . 0 0 "[ . 1]" 1
56 1 35 ALA H 1 36 ILE H . . 3.500 2.730 2.671 2.783 . 0 0 "[ . 1]" 1
57 1 35 ALA MB 1 104 ASP H . . 5.000 3.321 2.604 4.347 . 0 0 "[ . 1]" 1
58 1 35 ALA H 1 104 ASP HB2 . . 5.400 3.239 2.281 4.722 . 0 0 "[ . 1]" 1
59 1 35 ALA H 1 103 SER QB . . 5.000 4.675 3.687 6.127 1.127 9 1 "[ . +1]" 1
60 1 35 ALA MB 1 103 SER QB . . 5.000 3.490 2.376 4.649 . 0 0 "[ . 1]" 1
61 1 35 ALA HA 1 103 SER HG . . 5.000 5.435 3.270 6.536 1.536 6 6 "[* - .+** *]" 1
62 1 35 ALA HA 1 103 SER QB . . 5.000 4.300 3.808 5.137 0.137 9 0 "[ . 1]" 1
63 1 35 ALA MB 1 103 SER H . . 5.200 4.793 4.031 5.516 0.316 10 0 "[ . 1]" 1
64 1 35 ALA HA 1 38 SER HG . . 5.600 4.476 3.452 5.142 . 0 0 "[ . 1]" 1
65 1 35 ALA HA 1 39 LYS H . . 5.600 5.302 4.189 5.984 0.384 7 0 "[ . 1]" 1
66 1 35 ALA MB 1 101 LEU HA . . 5.000 4.412 3.809 5.820 0.820 10 1 "[ . +]" 1
67 1 35 ALA MB 1 79 LEU QD . . 5.800 4.210 1.948 4.967 . 0 0 "[ . 1]" 1
68 1 35 ALA MB 1 79 LEU HG . . 5.000 5.166 4.464 5.790 0.790 1 3 "[+ - . *1]" 1
69 1 35 ALA MB 1 100 GLY HA3 . . 5.000 3.571 2.838 4.678 . 0 0 "[ . 1]" 1
70 1 36 ILE HA 1 37 LYS H . . 3.500 3.470 3.451 3.517 0.017 5 0 "[ . 1]" 1
71 1 36 ILE H 1 37 LYS H . . 2.800 2.711 2.634 2.852 0.052 5 0 "[ . 1]" 1
72 1 36 ILE HA 1 39 LYS H . . 5.000 3.475 3.164 3.978 . 0 0 "[ . 1]" 1
73 1 36 ILE MG 1 37 LYS H . . 5.000 2.772 2.280 4.156 . 0 0 "[ . 1]" 1
74 1 36 ILE MG 1 39 LYS HG3 . . 5.300 4.952 4.197 5.491 0.191 5 0 "[ . 1]" 1
75 1 36 ILE HA 1 39 LYS HG3 . . 5.000 4.120 3.408 4.842 . 0 0 "[ . 1]" 1
76 1 36 ILE MG 1 39 LYS H . . 5.500 5.070 4.586 5.444 . 0 0 "[ . 1]" 1
77 1 36 ILE HA 1 39 LYS HB2 . . 5.200 5.146 4.738 5.419 0.219 1 0 "[ . 1]" 1
78 1 36 ILE HB 1 51 LEU MD2 . . 6.000 3.785 2.650 6.325 0.325 10 0 "[ . 1]" 1
79 1 36 ILE MG 1 51 LEU MD2 . . 5.000 4.235 2.644 5.079 0.079 9 0 "[ . 1]" 1
80 1 36 ILE H 1 51 LEU MD2 . . 5.400 4.043 2.997 4.740 . 0 0 "[ . 1]" 1
81 1 36 ILE MG 1 51 LEU MD1 . . 5.900 4.511 3.455 5.940 0.040 2 0 "[ . 1]" 1
82 1 36 ILE H 1 51 LEU MD1 . . 5.000 3.963 3.123 5.025 0.025 10 0 "[ . 1]" 1
83 1 36 ILE MG 1 40 VAL H . . 5.800 5.060 4.503 6.092 0.292 10 0 "[ . 1]" 1
84 1 36 ILE HA 1 40 VAL H . . 5.000 4.669 4.329 4.948 . 0 0 "[ . 1]" 1
85 1 36 ILE HA 1 40 VAL HB . . 5.800 6.374 5.925 6.607 0.807 7 7 "[****.-+* 1]" 1
86 1 36 ILE HA 1 51 LEU MD1 . . 5.200 2.809 1.762 4.779 . 0 0 "[ . 1]" 1
87 1 37 LYS HA 1 38 SER H . . 3.500 3.505 3.473 3.531 0.031 6 0 "[ . 1]" 1
88 1 37 LYS HG2 1 38 SER H . . 5.000 4.759 4.315 5.141 0.141 1 0 "[ . 1]" 1
89 1 37 LYS H 1 38 SER H . . 2.800 2.636 2.336 2.785 . 0 0 "[ . 1]" 1
90 1 37 LYS HA 1 40 VAL H . . 5.000 3.639 3.347 4.153 . 0 0 "[ . 1]" 1
91 1 37 LYS HA 1 40 VAL MG2 . . 5.000 2.578 2.170 3.460 . 0 0 "[ . 1]" 1
92 1 37 LYS HA 1 40 VAL HB . . 5.000 3.125 2.760 3.756 . 0 0 "[ . 1]" 1
93 1 37 LYS HA 1 41 GLU H . . 5.000 5.033 4.505 5.637 0.637 3 1 "[ + . 1]" 1
94 1 37 LYS HG2 1 40 VAL MG2 . . 5.300 4.476 3.400 5.182 . 0 0 "[ . 1]" 1
95 1 38 SER HA 1 39 LYS H . . 3.500 3.570 3.546 3.580 0.080 8 0 "[ . 1]" 1
96 1 38 SER HG 1 39 LYS H . . 5.000 4.656 2.747 4.992 . 0 0 "[ . 1]" 1
97 1 38 SER H 1 39 LYS H . . 3.000 2.755 2.709 2.819 . 0 0 "[ . 1]" 1
98 1 38 SER HA 1 41 GLU H . . 5.000 3.817 3.439 4.341 . 0 0 "[ . 1]" 1
99 1 38 SER HA 1 41 GLU QG . . 5.200 3.262 2.459 4.303 . 0 0 "[ . 1]" 1
100 1 38 SER HA 1 41 GLU QB . . 5.100 4.001 2.861 5.159 0.059 2 0 "[ . 1]" 1
101 1 38 SER HA 1 42 ALA H . . 5.600 5.259 4.483 6.337 0.737 3 1 "[ + . 1]" 1
102 1 38 SER HB2 1 51 LEU MD1 . . 5.200 4.434 3.362 5.715 0.515 3 1 "[ + . 1]" 1
103 1 38 SER HB3 1 98 ILE HB . . 5.000 2.527 1.434 3.919 . 0 0 "[ . 1]" 1
104 1 38 SER HB3 1 100 GLY HA3 . . 5.000 3.220 2.862 3.847 . 0 0 "[ . 1]" 1
105 1 38 SER HA 1 98 ILE QG . . 5.700 5.826 5.309 6.199 0.499 2 0 "[ . 1]" 1
106 1 38 SER HG 1 98 ILE HA . . 5.000 4.507 3.002 5.804 0.804 6 2 "[ - .+ 1]" 1
107 1 39 LYS HA 1 40 VAL H . . 3.500 3.472 3.416 3.508 0.008 5 0 "[ . 1]" 1
108 1 39 LYS HG3 1 40 VAL H . . 5.000 2.680 2.325 2.831 . 0 0 "[ . 1]" 1
109 1 39 LYS QD 1 40 VAL H . . 5.600 4.526 4.415 4.668 . 0 0 "[ . 1]" 1
110 1 39 LYS HA 1 42 ALA H . . 3.500 3.456 3.135 3.921 0.421 10 0 "[ . 1]" 1
111 1 39 LYS HA 1 42 ALA MB . . 5.000 2.920 2.478 3.512 . 0 0 "[ . 1]" 1
112 1 39 LYS HA 1 43 ALA H . . 5.200 4.978 4.365 5.798 0.598 10 1 "[ . +]" 1
113 1 39 LYS H 1 40 VAL H . . 2.800 2.651 2.582 2.760 . 0 0 "[ . 1]" 1
114 1 39 LYS H 1 49 PHE HB2 . . 5.800 6.094 5.514 6.491 0.691 3 4 "[ + . *-*]" 1
115 1 39 LYS HA 1 49 PHE HB2 . . 5.000 4.390 3.209 5.291 0.291 8 0 "[ . 1]" 1
116 1 39 LYS HB2 1 42 ALA H . . 5.300 5.095 4.763 5.369 0.069 7 0 "[ . 1]" 1
117 1 39 LYS HB2 1 43 ALA H . . 5.700 5.593 4.642 6.234 0.534 10 1 "[ . +]" 1
118 1 39 LYS HG3 1 49 PHE HB2 . . 5.000 4.680 4.047 5.527 0.527 10 1 "[ . +]" 1
119 1 39 LYS QD 1 50 LYS H . . 5.500 5.468 4.673 6.072 0.572 8 4 "[ * +-*]" 1
120 1 39 LYS HA 1 98 ILE QG . . 5.700 5.258 4.757 5.884 0.184 4 0 "[ . 1]" 1
121 1 39 LYS HA 1 98 ILE MD . . 5.000 3.758 3.102 4.151 . 0 0 "[ . 1]" 1
122 1 39 LYS HB3 1 98 ILE MD . . 5.100 4.219 3.313 5.124 0.024 6 0 "[ . 1]" 1
123 1 39 LYS HB3 1 79 LEU QD . . 5.000 2.994 2.195 3.576 . 0 0 "[ . 1]" 1
124 1 40 VAL HA 1 41 GLU H . . 3.500 3.548 3.511 3.581 0.081 7 0 "[ . 1]" 1
125 1 40 VAL HA 1 43 ALA H . . 5.000 3.483 3.264 3.753 . 0 0 "[ . 1]" 1
126 1 40 VAL HA 1 43 ALA MB . . 5.000 2.819 2.261 3.472 . 0 0 "[ . 1]" 1
127 1 40 VAL HA 1 44 LEU H . . 5.500 5.625 4.847 6.142 0.642 8 1 "[ . + 1]" 1
128 1 40 VAL MG1 1 41 GLU H . . 5.000 3.429 3.231 3.643 . 0 0 "[ . 1]" 1
129 1 40 VAL MG2 1 41 GLU H . . 5.000 3.941 3.803 4.122 . 0 0 "[ . 1]" 1
130 1 40 VAL H 1 41 GLU H . . 2.800 2.754 2.649 2.893 0.093 2 0 "[ . 1]" 1
131 1 40 VAL MG2 1 43 ALA MB . . 5.000 4.137 3.610 4.612 . 0 0 "[ . 1]" 1
132 1 40 VAL HB 1 43 ALA H . . 5.300 5.459 5.300 5.688 0.388 10 0 "[ . 1]" 1
133 1 40 VAL MG2 1 43 ALA H . . 5.000 5.235 5.009 5.422 0.422 4 0 "[ . 1]" 1
134 1 40 VAL MG1 1 44 LEU MD2 . . 5.000 3.915 3.106 4.797 . 0 0 "[ . 1]" 1
135 1 41 GLU HA 1 42 ALA H . . 5.000 3.503 3.458 3.538 . 0 0 "[ . 1]" 1
136 1 41 GLU HA 1 44 LEU H . . 5.000 4.078 3.699 4.612 . 0 0 "[ . 1]" 1
137 1 41 GLU HA 1 44 LEU HB2 . . 5.100 4.573 3.917 5.483 0.383 7 0 "[ . 1]" 1
138 1 41 GLU HA 1 44 LEU MD1 . . 5.000 4.550 2.924 5.516 0.516 8 1 "[ . + 1]" 1
139 1 41 GLU QG 1 42 ALA H . . 5.000 3.054 1.872 4.128 . 0 0 "[ . 1]" 1
140 1 41 GLU H 1 42 ALA H . . 5.000 2.652 2.610 2.690 . 0 0 "[ . 1]" 1
141 1 41 GLU H 1 98 ILE HB . . 5.700 5.962 5.697 6.411 0.711 2 2 "[ + . - 1]" 1
142 1 41 GLU QG 1 98 ILE HB . . 5.000 4.872 4.086 5.700 0.700 9 1 "[ . +1]" 1
143 1 41 GLU HA 1 44 LEU MD2 . . 5.000 3.444 1.908 5.456 0.456 5 0 "[ . 1]" 1
144 1 41 GLU QB 1 98 ILE HA . . 5.100 4.744 3.787 5.886 0.786 7 2 "[ - . + 1]" 1
145 1 41 GLU QB 1 98 ILE MG . . 5.000 3.996 2.938 5.668 0.668 2 1 "[ + . 1]" 1
146 1 42 ALA HA 1 43 ALA H . . 5.000 3.443 3.410 3.480 . 0 0 "[ . 1]" 1
147 1 42 ALA MB 1 47 THR MG . . 5.000 2.566 1.615 3.475 . 0 0 "[ . 1]" 1
148 1 42 ALA MB 1 97 LEU QD . . 5.200 4.758 3.547 5.914 0.714 6 1 "[ .+ 1]" 1
149 1 42 ALA H 1 43 ALA H . . 5.000 2.632 2.568 2.677 . 0 0 "[ . 1]" 1
150 1 42 ALA HA 1 44 LEU H . . 5.000 3.760 3.654 3.881 . 0 0 "[ . 1]" 1
151 1 42 ALA MB 1 47 THR HB . . 5.400 4.876 3.900 5.700 0.300 9 0 "[ . 1]" 1
152 1 42 ALA MB 1 49 PHE HD1 . . 5.800 4.079 2.592 5.343 . 0 0 "[ . 1]" 1
153 1 43 ALA HA 1 44 LEU H . . 5.000 3.445 3.428 3.462 . 0 0 "[ . 1]" 1
154 1 43 ALA H 1 44 LEU H . . 5.000 2.681 2.617 2.732 . 0 0 "[ . 1]" 1
155 1 43 ALA HA 1 45 SER H . . 5.000 3.555 3.319 3.808 . 0 0 "[ . 1]" 1
156 1 43 ALA MB 1 44 LEU MD2 . . 5.000 3.047 2.579 3.872 . 0 0 "[ . 1]" 1
157 1 44 LEU HA 1 45 SER H . . 5.000 3.351 3.171 3.459 . 0 0 "[ . 1]" 1
158 1 44 LEU HB2 1 45 SER H . . 5.000 3.333 2.959 3.723 . 0 0 "[ . 1]" 1
159 1 44 LEU HB3 1 45 SER H . . 5.000 4.042 3.848 4.344 . 0 0 "[ . 1]" 1
160 1 44 LEU MD1 1 45 SER H . . 5.000 4.814 4.636 5.344 0.344 3 0 "[ . 1]" 1
161 1 44 LEU H 1 45 SER H . . 5.000 2.548 2.358 2.634 . 0 0 "[ . 1]" 1
162 1 44 LEU H 1 47 THR MG . . 5.300 5.165 4.779 5.689 0.389 5 0 "[ . 1]" 1
163 1 45 SER H 1 47 THR MG . . 5.000 3.742 3.426 4.163 . 0 0 "[ . 1]" 1
164 1 45 SER HB2 1 47 THR H . . 5.000 5.156 4.752 5.611 0.611 10 1 "[ . +]" 1
165 1 45 SER HG 1 47 THR MG . . 5.000 4.783 2.423 5.731 0.731 8 2 "[ . + -]" 1
166 1 47 THR HA 1 48 HIS H . . 5.000 2.552 2.347 2.769 . 0 0 "[ . 1]" 1
167 1 47 THR HB 1 48 HIS H . . 5.000 3.714 3.554 3.957 . 0 0 "[ . 1]" 1
168 1 47 THR MG 1 48 HIS H . . 5.000 3.022 2.594 3.521 . 0 0 "[ . 1]" 1
169 1 47 THR H 1 48 HIS H . . 5.000 4.319 4.255 4.363 . 0 0 "[ . 1]" 1
170 1 47 THR MG 1 83 SER H . . 5.800 5.753 5.544 6.218 0.418 7 0 "[ . 1]" 1
171 1 47 THR H 1 83 SER QB . . 5.600 5.673 4.957 6.112 0.512 2 2 "[ + . - 1]" 1
172 1 47 THR MG 1 84 ASP H . . 5.900 6.020 5.373 6.504 0.604 1 3 "[+ - * 1]" 1
173 1 47 THR HG1 1 48 HIS H . . 5.000 2.484 1.781 2.919 . 0 0 "[ . 1]" 1
174 1 47 THR HG1 1 83 SER H . . 5.000 3.968 3.285 4.957 . 0 0 "[ . 1]" 1
175 1 47 THR HG1 1 84 ASP H . . 5.200 5.065 3.837 6.548 1.348 9 2 "[ . +-]" 1
176 1 47 THR HB 1 84 ASP H . . 5.000 5.380 4.430 6.340 1.340 5 3 "[- + * 1]" 1
177 1 47 THR HB 1 82 THR H . . 5.800 5.819 5.530 6.185 0.385 5 0 "[ . 1]" 1
178 1 47 THR HA 1 83 SER QB . . 5.000 3.635 3.118 4.062 . 0 0 "[ . 1]" 1
179 1 47 THR HA 1 83 SER H . . 5.200 5.085 4.587 5.648 0.448 2 0 "[ . 1]" 1
180 1 47 THR MG 1 94 ARG HD2 . . 5.800 5.574 3.999 6.513 0.713 2 1 "[ + . 1]" 1
181 1 47 THR HA 1 83 SER HA . . 5.000 2.513 1.853 2.985 . 0 0 "[ . 1]" 1
182 1 47 THR HA 1 84 ASP H . . 5.000 3.665 2.720 4.313 . 0 0 "[ . 1]" 1
183 1 47 THR HB 1 83 SER H . . 5.100 5.385 4.968 5.765 0.665 1 3 "[+ * - 1]" 1
184 1 47 THR HB 1 83 SER QB . . 5.000 3.336 2.183 4.024 . 0 0 "[ . 1]" 1
185 1 47 THR HB 1 83 SER HG . . 5.000 2.662 2.280 3.847 . 0 0 "[ . 1]" 1
186 1 47 THR MG 1 48 HIS HA . . 5.000 3.553 3.385 3.778 . 0 0 "[ . 1]" 1
187 1 47 THR MG 1 82 THR H . . 5.200 4.722 4.251 5.355 0.155 7 0 "[ . 1]" 1
188 1 47 THR MG 1 83 SER HA . . 5.000 4.611 4.209 4.990 . 0 0 "[ . 1]" 1
189 1 47 THR MG 1 83 SER QB . . 5.000 4.564 3.768 5.032 0.032 5 0 "[ . 1]" 1
190 1 48 HIS HA 1 49 PHE H . . 5.000 2.161 2.132 2.191 . 0 0 "[ . 1]" 1
191 1 48 HIS HB2 1 49 PHE H . . 5.000 4.257 4.176 4.339 . 0 0 "[ . 1]" 1
192 1 48 HIS H 1 82 THR H . . 3.500 3.003 2.676 3.285 . 0 0 "[ . 1]" 1
193 1 48 HIS HA 1 82 THR H . . 5.000 4.779 4.497 5.135 0.135 6 0 "[ . 1]" 1
194 1 48 HIS H 1 82 THR HA . . 5.000 4.790 4.517 5.049 0.049 6 0 "[ . 1]" 1
195 1 48 HIS H 1 81 VAL HB . . 5.200 4.749 3.764 5.977 0.777 8 2 "[ . -+ 1]" 1
196 1 48 HIS H 1 81 VAL HA . . 5.000 4.390 4.070 4.652 . 0 0 "[ . 1]" 1
197 1 48 HIS H 1 82 THR MG . . 5.000 4.604 4.218 5.122 0.122 6 0 "[ . 1]" 1
198 1 48 HIS H 1 81 VAL QG . . 5.000 4.133 3.210 4.772 . 0 0 "[ . 1]" 1
199 1 48 HIS HB2 1 82 THR H . . 5.000 4.790 4.315 5.121 0.121 8 0 "[ . 1]" 1
200 1 48 HIS HB3 1 82 THR H . . 5.000 3.248 2.714 3.675 . 0 0 "[ . 1]" 1
201 1 48 HIS HB3 1 83 SER H . . 5.900 5.814 5.420 6.556 0.656 9 2 "[ .- +1]" 1
202 1 48 HIS HB2 1 82 THR HB . . 5.000 4.217 3.336 5.386 0.386 6 0 "[ . 1]" 1
203 1 48 HIS H 1 82 THR HB . . 5.000 3.933 3.453 4.748 . 0 0 "[ . 1]" 1
204 1 48 HIS HA 1 82 THR HB . . 5.500 5.477 4.903 6.540 1.040 6 2 "[ -+ 1]" 1
205 1 48 HIS HB3 1 82 THR HB . . 5.000 2.679 1.925 3.883 . 0 0 "[ . 1]" 1
206 1 48 HIS HB3 1 82 THR MG . . 5.000 3.961 3.410 5.075 0.075 6 0 "[ . 1]" 1
207 1 48 HIS H 1 83 SER HA . . 5.000 3.397 2.990 3.891 . 0 0 "[ . 1]" 1
208 1 48 HIS H 1 84 ASP H . . 5.000 4.806 4.146 5.671 0.671 9 1 "[ . +1]" 1
209 1 48 HIS HB3 1 81 VAL HA . . 5.000 4.787 4.364 5.306 0.306 8 0 "[ . 1]" 1
210 1 48 HIS HB3 1 82 THR HA . . 5.200 5.098 4.503 5.902 0.702 6 1 "[ .+ 1]" 1
211 1 48 HIS H 1 83 SER H . . 5.000 4.714 4.466 5.001 0.001 6 0 "[ . 1]" 1
212 1 48 HIS H 1 83 SER QB . . 5.000 4.831 4.426 5.085 0.085 6 0 "[ . 1]" 1
213 1 49 PHE HA 1 50 LYS H . . 5.000 2.102 2.073 2.141 . 0 0 "[ . 1]" 1
214 1 49 PHE HB2 1 50 LYS H . . 5.000 3.681 3.165 4.435 . 0 0 "[ . 1]" 1
215 1 49 PHE HB3 1 50 LYS H . . 5.000 3.904 3.386 4.176 . 0 0 "[ . 1]" 1
216 1 49 PHE H 1 81 VAL HA . . 5.000 4.852 4.751 4.966 . 0 0 "[ . 1]" 1
217 1 49 PHE HA 1 81 VAL HA . . 5.000 2.433 2.270 2.658 . 0 0 "[ . 1]" 1
218 1 49 PHE HA 1 81 VAL HB . . 5.000 3.736 2.894 4.538 . 0 0 "[ . 1]" 1
219 1 49 PHE HB2 1 81 VAL HA . . 5.000 4.810 4.410 5.447 0.447 9 0 "[ . 1]" 1
220 1 49 PHE HA 1 82 THR H . . 5.000 3.676 3.337 4.037 . 0 0 "[ . 1]" 1
221 1 49 PHE HA 1 80 GLU H . . 5.000 4.724 4.495 5.011 0.011 3 0 "[ . 1]" 1
222 1 49 PHE H 1 81 VAL HB . . 5.400 5.814 4.735 6.521 1.121 4 4 "[ +* - *]" 1
223 1 49 PHE H 1 50 LYS H . . 5.000 4.309 4.203 4.445 . 0 0 "[ . 1]" 1
224 1 49 PHE H 1 82 THR H . . 5.000 5.004 4.795 5.397 0.397 6 0 "[ . 1]" 1
225 1 49 PHE HA 1 50 LYS HB3 . . 5.000 4.444 4.291 4.651 . 0 0 "[ . 1]" 1
226 1 49 PHE HB3 1 81 VAL HB . . 5.000 4.320 3.117 5.243 0.243 9 0 "[ . 1]" 1
227 1 49 PHE HB3 1 81 VAL QG . . 5.700 3.092 2.124 4.887 . 0 0 "[ . 1]" 1
228 1 49 PHE HB3 1 98 ILE MD . . 5.000 4.987 4.263 5.875 0.875 1 4 "[+ *-. * 1]" 1
229 1 50 LYS HA 1 51 LEU H . . 5.000 2.155 2.121 2.178 . 0 0 "[ . 1]" 1
230 1 50 LYS HB2 1 51 LEU H . . 5.000 4.361 4.312 4.451 . 0 0 "[ . 1]" 1
231 1 50 LYS HG2 1 51 LEU H . . 5.000 3.489 3.329 3.665 . 0 0 "[ . 1]" 1
232 1 50 LYS HA 1 80 GLU H . . 5.000 4.741 4.601 4.856 . 0 0 "[ . 1]" 1
233 1 50 LYS HG2 1 80 GLU H . . 5.000 4.361 3.866 5.676 0.676 9 1 "[ . +1]" 1
234 1 50 LYS H 1 80 GLU QB . . 5.500 3.331 2.916 3.876 . 0 0 "[ . 1]" 1
235 1 50 LYS H 1 81 VAL HA . . 5.000 3.268 2.983 3.605 . 0 0 "[ . 1]" 1
236 1 50 LYS QD 1 80 GLU H . . 5.000 4.223 3.191 4.954 . 0 0 "[ . 1]" 1
237 1 50 LYS H 1 51 LEU H . . 5.000 4.217 4.101 4.272 . 0 0 "[ . 1]" 1
238 1 50 LYS HG2 1 80 GLU QB . . 5.400 3.736 3.286 4.572 . 0 0 "[ . 1]" 1
239 1 50 LYS H 1 80 GLU HA . . 5.100 4.724 4.574 4.855 . 0 0 "[ . 1]" 1
240 1 50 LYS H 1 81 VAL H . . 5.000 4.750 4.626 4.859 . 0 0 "[ . 1]" 1
241 1 50 LYS H 1 81 VAL HB . . 5.000 5.096 4.249 5.810 0.810 4 3 "[ +* -]" 1
242 1 50 LYS H 1 81 VAL QG . . 5.000 3.721 2.658 4.840 . 0 0 "[ . 1]" 1
243 1 50 LYS H 1 82 THR H . . 5.200 4.651 4.428 4.988 . 0 0 "[ . 1]" 1
244 1 50 LYS HB3 1 80 GLU H . . 5.000 3.268 3.048 3.434 . 0 0 "[ . 1]" 1
245 1 50 LYS HB3 1 80 GLU QB . . 5.000 1.994 1.547 2.394 . 0 0 "[ . 1]" 1
246 1 50 LYS QD 1 52 ILE MG . . 5.000 4.042 2.560 4.979 . 0 0 "[ . 1]" 1
247 1 50 LYS QD 1 79 LEU HA . . 5.800 5.401 4.005 6.200 0.400 8 0 "[ . 1]" 1
248 1 50 LYS QD 1 80 GLU QB . . 5.800 2.547 2.266 3.253 . 0 0 "[ . 1]" 1
249 1 50 LYS QD 1 80 GLU HG3 . . 5.200 3.867 3.109 4.727 . 0 0 "[ . 1]" 1
250 1 51 LEU HA 1 52 ILE H . . 5.000 2.158 2.131 2.178 . 0 0 "[ . 1]" 1
251 1 51 LEU QB 1 52 ILE H . . 5.000 3.866 3.827 3.901 . 0 0 "[ . 1]" 1
252 1 51 LEU H 1 52 ILE H . . 5.000 4.180 4.134 4.232 . 0 0 "[ . 1]" 1
253 1 51 LEU MD1 1 52 ILE H . . 5.000 4.519 2.541 4.827 . 0 0 "[ . 1]" 1
254 1 51 LEU MD2 1 52 ILE H . . 5.000 3.266 2.838 4.766 . 0 0 "[ . 1]" 1
255 1 51 LEU HA 1 80 GLU H . . 5.000 3.528 3.375 3.680 . 0 0 "[ . 1]" 1
256 1 51 LEU HA 1 79 LEU HA . . 5.000 2.626 2.485 2.767 . 0 0 "[ . 1]" 1
257 1 51 LEU HA 1 79 LEU HG . . 5.200 5.455 5.112 5.718 0.518 9 1 "[ . +1]" 1
258 1 51 LEU QB 1 79 LEU H . . 5.800 6.097 5.860 6.242 0.442 8 0 "[ . 1]" 1
259 1 51 LEU MD2 1 78 ARG H . . 5.200 4.547 3.920 5.821 0.621 2 1 "[ + . 1]" 1
260 1 51 LEU HA 1 79 LEU QB . . 5.000 4.191 3.899 4.421 . 0 0 "[ . 1]" 1
261 1 51 LEU MD1 1 100 GLY H . . 5.500 5.823 4.600 6.489 0.989 2 4 "[-+ * * 1]" 1
262 1 51 LEU H 1 52 ILE MG . . 5.000 4.111 3.613 5.598 0.598 9 1 "[ . +1]" 1
263 1 51 LEU H 1 79 LEU QD . . 5.000 4.096 3.968 4.298 . 0 0 "[ . 1]" 1
264 1 51 LEU HA 1 52 ILE HA . . 5.000 4.359 4.341 4.380 . 0 0 "[ . 1]" 1
265 1 51 LEU HA 1 52 ILE MG . . 5.000 4.019 3.853 4.258 . 0 0 "[ . 1]" 1
266 1 51 LEU HA 1 79 LEU H . . 5.100 5.031 4.870 5.271 0.171 8 0 "[ . 1]" 1
267 1 51 LEU HA 1 79 LEU QD . . 5.100 2.892 2.743 3.098 . 0 0 "[ . 1]" 1
268 1 51 LEU QB 1 79 LEU QD . . 5.900 2.102 1.930 2.360 . 0 0 "[ . 1]" 1
269 1 51 LEU HG 1 52 ILE H . . 5.000 3.328 3.099 3.467 . 0 0 "[ . 1]" 1
270 1 51 LEU HG 1 78 ARG H . . 5.000 4.423 3.925 5.176 0.176 2 0 "[ . 1]" 1
271 1 51 LEU HG 1 79 LEU QD . . 5.600 2.805 2.463 3.849 . 0 0 "[ . 1]" 1
272 1 51 LEU MD1 1 101 LEU HA . . 5.000 5.291 4.535 5.971 0.971 5 4 "[* * + - 1]" 1
273 1 51 LEU MD1 1 101 LEU MD1 . . 5.100 4.674 4.274 5.692 0.592 5 1 "[ + 1]" 1
274 1 51 LEU MD1 1 98 ILE MD . . 5.000 4.280 3.581 4.934 . 0 0 "[ . 1]" 1
275 1 52 ILE HA 1 53 ASN H . . 5.000 2.129 2.097 2.186 . 0 0 "[ . 1]" 1
276 1 52 ILE H 1 79 LEU HA . . 5.000 4.000 3.835 4.339 . 0 0 "[ . 1]" 1
277 1 52 ILE H 1 78 ARG H . . 3.500 3.021 2.793 3.182 . 0 0 "[ . 1]" 1
278 1 52 ILE HA 1 78 ARG H . . 5.000 5.011 4.825 5.139 0.139 7 0 "[ . 1]" 1
279 1 52 ILE HB 1 78 ARG H . . 5.400 5.077 4.754 5.468 0.068 7 0 "[ . 1]" 1
280 1 52 ILE H 1 78 ARG QB . . 5.000 4.441 3.308 4.946 . 0 0 "[ . 1]" 1
281 1 52 ILE H 1 78 ARG QG . . 5.000 3.200 2.784 3.896 . 0 0 "[ . 1]" 1
282 1 52 ILE HB 1 53 ASN H . . 5.000 3.484 3.050 4.348 . 0 0 "[ . 1]" 1
283 1 52 ILE MG 1 53 ASN H . . 5.000 3.885 3.672 4.025 . 0 0 "[ . 1]" 1
284 1 52 ILE H 1 77 PHE HA . . 5.000 4.558 4.385 4.689 . 0 0 "[ . 1]" 1
285 1 52 ILE MG 1 78 ARG QD . . 5.000 3.916 2.265 4.688 . 0 0 "[ . 1]" 1
286 1 52 ILE HB 1 78 ARG QG . . 5.000 4.581 3.481 5.898 0.898 3 2 "[ +-. 1]" 1
287 1 52 ILE HA 1 78 ARG QG . . 5.700 5.258 4.749 6.299 0.599 3 2 "[ +-. 1]" 1
288 1 52 ILE MD 1 78 ARG H . . 5.000 3.734 2.866 4.709 . 0 0 "[ . 1]" 1
289 1 52 ILE MD 1 77 PHE H . . 5.000 5.086 4.363 5.810 0.810 9 3 "[ * -+1]" 1
290 1 52 ILE H 1 53 ASN H . . 5.000 4.268 4.184 4.354 . 0 0 "[ . 1]" 1
291 1 52 ILE MG 1 78 ARG H . . 5.100 4.660 2.723 5.252 0.152 10 0 "[ . 1]" 1
292 1 52 ILE MD 1 77 PHE HA . . 5.000 3.726 2.905 4.696 . 0 0 "[ . 1]" 1
293 1 52 ILE MG 1 78 ARG QG . . 5.200 3.582 1.475 4.730 . 0 0 "[ . 1]" 1
294 1 53 ASN HA 1 54 ASP H . . 5.000 2.126 2.080 2.178 . 0 0 "[ . 1]" 1
295 1 53 ASN QB 1 54 ASP H . . 5.000 3.815 3.202 3.976 . 0 0 "[ . 1]" 1
296 1 53 ASN QB 1 78 ARG H . . 5.900 4.503 4.055 4.804 . 0 0 "[ . 1]" 1
297 1 53 ASN QB 1 77 PHE H . . 6.300 6.030 4.577 6.290 . 0 0 "[ . 1]" 1
298 1 53 ASN HA 1 78 ARG H . . 5.000 3.918 3.684 4.123 . 0 0 "[ . 1]" 1
299 1 53 ASN H 1 77 PHE HA . . 5.000 4.818 4.549 4.928 . 0 0 "[ . 1]" 1
300 1 53 ASN HA 1 77 PHE HA . . 5.000 2.451 2.145 2.563 . 0 0 "[ . 1]" 1
301 1 53 ASN QB 1 77 PHE HA . . 5.000 3.735 2.732 4.000 . 0 0 "[ . 1]" 1
302 1 53 ASN HA 1 77 PHE HB2 . . 5.000 3.254 2.707 3.715 . 0 0 "[ . 1]" 1
303 1 53 ASN HA 1 76 HIS H . . 6.200 6.313 5.811 6.543 0.343 9 0 "[ . 1]" 1
304 1 53 ASN QB 1 105 GLU H . . 5.800 5.973 4.955 6.265 0.465 4 0 "[ . 1]" 1
305 1 53 ASN HA 1 77 PHE H . . 5.000 4.881 4.482 4.982 . 0 0 "[ . 1]" 1
306 1 53 ASN HA 1 76 HIS HA . . 5.700 5.341 4.929 5.748 0.048 9 0 "[ . 1]" 1
307 1 53 ASN H 1 54 ASP H . . 5.000 4.102 3.899 4.253 . 0 0 "[ . 1]" 1
308 1 53 ASN HA 1 76 HIS HB3 . . 5.900 4.995 4.184 6.599 0.699 6 2 "[ -+ 1]" 1
309 1 53 ASN HA 1 77 PHE HB3 . . 5.000 4.698 4.290 5.040 0.040 3 0 "[ . 1]" 1
310 1 53 ASN QB 1 104 ASP HB3 . . 5.000 4.169 3.467 4.458 . 0 0 "[ . 1]" 1
311 1 53 ASN H 1 78 ARG H . . 5.200 5.228 5.006 5.449 0.249 7 0 "[ . 1]" 1
312 1 54 ASP HA 1 55 SER H . . 5.000 3.228 2.296 3.532 . 0 0 "[ . 1]" 1
313 1 54 ASP QB 1 55 SER H . . 5.000 3.035 2.156 4.028 . 0 0 "[ . 1]" 1
314 1 54 ASP H 1 55 SER H . . 5.000 2.547 2.023 3.713 . 0 0 "[ . 1]" 1
315 1 54 ASP H 1 77 PHE HA . . 5.000 3.516 3.276 3.652 . 0 0 "[ . 1]" 1
316 1 54 ASP H 1 108 ALA MB . . 5.600 5.065 4.201 5.904 0.304 5 0 "[ . 1]" 1
317 1 54 ASP QB 1 108 ALA MB . . 5.900 4.851 4.175 5.115 . 0 0 "[ . 1]" 1
318 1 54 ASP QB 1 76 HIS HD1 . . 5.200 2.762 2.124 3.929 . 0 0 "[ . 1]" 1
319 1 54 ASP QB 1 76 HIS HB3 . . 5.000 2.473 1.589 4.019 . 0 0 "[ . 1]" 1
320 1 54 ASP H 1 76 HIS HA . . 5.000 4.187 3.670 4.961 . 0 0 "[ . 1]" 1
321 1 54 ASP H 1 76 HIS HB3 . . 5.000 3.388 2.615 5.364 0.364 6 0 "[ . 1]" 1
322 1 54 ASP H 1 76 HIS HD2 . . 5.500 5.830 4.716 6.639 1.139 1 5 "[+* . ** -]" 1
323 1 54 ASP QB 1 77 PHE H . . 6.000 5.356 5.033 5.724 . 0 0 "[ . 1]" 1
324 1 54 ASP H 1 77 PHE H . . 5.000 4.880 4.702 5.151 0.151 6 0 "[ . 1]" 1
325 1 55 SER H 1 77 PHE HA . . 5.800 5.156 4.328 6.596 0.796 9 1 "[ . +1]" 1
326 1 55 SER HA 1 56 HIS H . . 5.000 2.808 2.183 3.374 . 0 0 "[ . 1]" 1
327 1 55 SER QB 1 56 HIS H . . 5.000 2.359 1.684 3.591 . 0 0 "[ . 1]" 1
328 1 55 SER QB 1 107 LYS HG2 . . 5.300 4.411 3.708 5.222 . 0 0 "[ . 1]" 1
329 1 55 SER HG 1 108 ALA MB . . 5.000 3.424 1.737 5.005 0.005 6 0 "[ . 1]" 1
330 1 55 SER H 1 56 HIS H . . 5.000 4.567 4.403 4.640 . 0 0 "[ . 1]" 1
331 1 55 SER H 1 105 GLU HA . . 5.800 5.592 4.545 6.521 0.721 9 2 "[ . -+1]" 1
332 1 55 SER HA 1 105 GLU HA . . 5.300 4.629 3.478 5.784 0.484 10 0 "[ . 1]" 1
333 1 55 SER HA 1 107 LYS HB3 . . 5.700 5.637 4.559 6.527 0.827 1 3 "[+ - *1]" 1
334 1 55 SER HA 1 108 ALA HA . . 5.100 3.601 1.864 5.470 0.370 5 0 "[ . 1]" 1
335 1 55 SER HA 1 108 ALA MB . . 5.000 1.980 1.515 2.879 . 0 0 "[ . 1]" 1
336 1 55 SER QB 1 56 HIS HA . . 5.200 4.170 3.896 4.680 . 0 0 "[ . 1]" 1
337 1 55 SER HA 1 56 HIS QB . . 5.000 4.145 3.824 4.631 . 0 0 "[ . 1]" 1
338 1 55 SER QB 1 107 LYS HB3 . . 5.800 5.249 4.541 6.348 0.548 5 1 "[ + 1]" 1
339 1 55 SER HG 1 56 HIS HA . . 5.000 6.104 5.518 6.534 1.534 8 10 [**-****+**] 1
340 1 55 SER HG 1 107 LYS QD . . 5.000 4.543 3.232 5.845 0.845 1 2 "[+ . -]" 1
341 1 56 HIS HA 1 57 LYS H . . 5.000 2.252 2.091 2.497 . 0 0 "[ . 1]" 1
342 1 56 HIS QB 1 57 LYS H . . 5.000 3.518 2.411 4.025 . 0 0 "[ . 1]" 1
343 1 56 HIS H 1 57 LYS H . . 5.000 3.921 2.934 4.389 . 0 0 "[ . 1]" 1
344 1 56 HIS H 1 57 LYS HA . . 5.000 4.631 3.777 5.187 0.187 9 0 "[ . 1]" 1
345 1 56 HIS H 1 108 ALA HA . . 5.000 3.429 2.109 5.891 0.891 6 1 "[ .+ 1]" 1
346 1 56 HIS H 1 108 ALA MB . . 5.000 3.119 1.820 4.022 . 0 0 "[ . 1]" 1
347 1 56 HIS HA 1 57 LYS QG . . 5.000 4.122 3.342 5.850 0.850 2 1 "[ + . 1]" 1
348 1 56 HIS HA 1 108 ALA MB . . 5.300 4.306 3.490 5.364 0.064 9 0 "[ . 1]" 1
349 1 56 HIS QB 1 108 ALA HA . . 5.000 3.384 1.422 5.978 0.978 9 1 "[ . +1]" 1
350 1 57 LYS HA 1 58 HIS H . . 5.000 3.148 2.290 3.579 . 0 0 "[ . 1]" 1
351 1 57 LYS QG 1 58 HIS H . . 5.000 3.600 1.849 4.225 . 0 0 "[ . 1]" 1
352 1 57 LYS H 1 58 HIS H . . 5.000 3.217 1.831 4.616 . 0 0 "[ . 1]" 1
353 1 57 LYS HD2 1 58 HIS H . . 5.000 5.134 4.143 5.796 0.796 1 2 "[+- . 1]" 1
354 1 57 LYS HB2 1 58 HIS H . . 5.000 3.225 2.341 3.893 . 0 0 "[ . 1]" 1
355 1 57 LYS HB3 1 58 HIS H . . 5.000 3.011 1.746 4.179 . 0 0 "[ . 1]" 1
356 1 57 LYS HB3 1 58 HIS HA . . 5.000 4.916 4.426 5.843 0.843 5 2 "[ + - 1]" 1
357 1 58 HIS HA 1 59 ALA H . . 5.000 2.162 2.084 2.312 . 0 0 "[ . 1]" 1
358 1 58 HIS HB2 1 59 ALA H . . 5.000 4.287 3.851 4.489 . 0 0 "[ . 1]" 1
359 1 58 HIS H 1 59 ALA H . . 5.000 4.286 4.099 4.469 . 0 0 "[ . 1]" 1
360 1 58 HIS HA 1 59 ALA MB . . 5.000 4.030 3.955 4.116 . 0 0 "[ . 1]" 1
361 1 58 HIS HB3 1 59 ALA MB . . 5.000 4.838 4.012 5.340 0.340 8 0 "[ . 1]" 1
362 1 59 ALA HA 1 60 GLY H . . 5.000 2.900 2.129 3.559 . 0 0 "[ . 1]" 1
363 1 59 ALA MB 1 60 GLY H . . 5.000 2.810 2.056 3.646 . 0 0 "[ . 1]" 1
364 1 59 ALA MB 1 62 TYR H . . 5.000 4.551 2.730 6.470 1.470 3 2 "[ +-. 1]" 1
365 1 59 ALA H 1 60 GLY H . . 5.000 3.193 1.917 4.570 . 0 0 "[ . 1]" 1
366 1 59 ALA MB 1 60 GLY QA . . 5.000 3.856 3.445 4.186 . 0 0 "[ . 1]" 1
367 1 60 GLY QA 1 61 HIS H . . 5.000 2.373 2.063 2.890 . 0 0 "[ . 1]" 1
368 1 60 GLY QA 1 62 TYR H . . 5.000 3.852 3.050 5.549 0.549 6 1 "[ .+ 1]" 1
369 1 60 GLY H 1 61 HIS HA . . 5.000 5.040 4.709 5.314 0.314 9 0 "[ . 1]" 1
370 1 60 GLY QA 1 61 HIS HB3 . . 5.100 4.481 3.981 4.960 . 0 0 "[ . 1]" 1
371 1 61 HIS HA 1 62 TYR H . . 5.000 2.940 2.102 3.522 . 0 0 "[ . 1]" 1
372 1 61 HIS HB2 1 62 TYR H . . 5.000 4.149 3.576 4.632 . 0 0 "[ . 1]" 1
373 1 61 HIS HB3 1 62 TYR H . . 5.000 3.685 2.616 4.631 . 0 0 "[ . 1]" 1
374 1 61 HIS H 1 62 TYR H . . 5.000 2.984 2.277 4.072 . 0 0 "[ . 1]" 1
375 1 61 HIS H 1 62 TYR HA . . 5.200 4.959 4.379 5.434 0.234 7 0 "[ . 1]" 1
376 1 61 HIS HA 1 62 TYR HA . . 5.000 4.618 4.252 5.311 0.311 1 0 "[ . 1]" 1
377 1 62 TYR HA 1 63 ALA H . . 5.000 2.761 2.126 3.544 . 0 0 "[ . 1]" 1
378 1 62 TYR HB2 1 63 ALA H . . 5.000 3.776 2.023 4.498 . 0 0 "[ . 1]" 1
379 1 62 TYR HB3 1 63 ALA H . . 5.000 3.702 1.754 4.526 . 0 0 "[ . 1]" 1
380 1 62 TYR H 1 63 ALA MB . . 5.000 4.555 3.957 5.012 0.012 2 0 "[ . 1]" 1
381 1 62 TYR H 1 63 ALA H . . 5.000 3.331 2.068 4.557 . 0 0 "[ . 1]" 1
382 1 62 TYR HA 1 63 ALA MB . . 5.000 4.197 3.962 4.713 . 0 0 "[ . 1]" 1
383 1 62 TYR HB3 1 63 ALA HA . . 5.200 4.883 4.437 5.230 0.030 5 0 "[ . 1]" 1
384 1 63 ALA HA 1 64 ARG H . . 5.000 2.763 2.151 3.539 . 0 0 "[ . 1]" 1
385 1 63 ALA MB 1 64 ARG H . . 5.000 2.862 1.851 3.718 . 0 0 "[ . 1]" 1
386 1 63 ALA MB 1 65 ASP H . . 5.200 4.393 3.200 5.822 0.622 3 1 "[ + . 1]" 1
387 1 63 ALA H 1 64 ARG H . . 5.000 3.678 2.598 4.463 . 0 0 "[ . 1]" 1
388 1 63 ALA MB 1 64 ARG HA . . 5.000 4.176 3.960 4.383 . 0 0 "[ . 1]" 1
389 1 63 ALA HA 1 64 ARG HB3 . . 5.200 4.974 4.676 5.599 0.399 1 0 "[ . 1]" 1
390 1 64 ARG HA 1 65 ASP H . . 5.000 2.870 2.125 3.578 . 0 0 "[ . 1]" 1
391 1 64 ARG HB2 1 65 ASP H . . 5.000 3.955 3.332 4.612 . 0 0 "[ . 1]" 1
392 1 64 ARG HG2 1 65 ASP H . . 5.000 3.825 2.430 4.751 . 0 0 "[ . 1]" 1
393 1 64 ARG HB3 1 65 ASP H . . 5.000 3.142 1.747 4.390 . 0 0 "[ . 1]" 1
394 1 64 ARG HA 1 66 GLY H . . 5.200 4.803 3.596 6.189 0.989 9 1 "[ . +1]" 1
395 1 64 ARG H 1 65 ASP H . . 5.000 3.361 2.262 4.484 . 0 0 "[ . 1]" 1
396 1 64 ARG HB3 1 65 ASP QB . . 5.200 4.421 3.508 5.664 0.464 10 0 "[ . 1]" 1
397 1 64 ARG HA 1 65 ASP QB . . 5.200 4.464 4.040 5.292 0.092 6 0 "[ . 1]" 1
398 1 64 ARG QD 1 65 ASP H . . 5.000 3.708 2.649 5.660 0.660 1 1 "[+ . 1]" 1
399 1 65 ASP HA 1 66 GLY H . . 5.000 3.526 3.430 3.563 . 0 0 "[ . 1]" 1
400 1 65 ASP QB 1 66 GLY H . . 5.000 2.716 1.726 3.591 . 0 0 "[ . 1]" 1
401 1 65 ASP H 1 66 GLY H . . 5.000 2.537 1.587 3.914 . 0 0 "[ . 1]" 1
402 1 65 ASP H 1 66 GLY HA2 . . 5.100 4.521 3.568 5.533 0.433 2 0 "[ . 1]" 1
403 1 65 ASP H 1 67 SER QB . . 5.000 5.049 3.927 6.345 1.345 7 4 "[ -*. +* 1]" 1
404 1 65 ASP HA 1 66 GLY HA3 . . 5.000 5.048 4.602 5.361 0.361 1 0 "[ . 1]" 1
405 1 66 GLY HA2 1 67 SER H . . 5.000 2.567 2.135 3.352 . 0 0 "[ . 1]" 1
406 1 66 GLY HA3 1 67 SER H . . 5.000 3.186 2.225 3.562 . 0 0 "[ . 1]" 1
407 1 66 GLY H 1 67 SER H . . 5.000 3.644 2.711 4.448 . 0 0 "[ . 1]" 1
408 1 66 GLY HA2 1 67 SER QB . . 5.000 4.703 4.130 5.383 0.383 1 0 "[ . 1]" 1
409 1 67 SER HA 1 68 THR H . . 5.000 2.483 2.135 3.459 . 0 0 "[ . 1]" 1
410 1 67 SER QB 1 68 THR H . . 5.000 3.051 1.992 3.539 . 0 0 "[ . 1]" 1
411 1 67 SER QB 1 69 ALA H . . 5.000 3.752 2.410 5.168 0.168 1 0 "[ . 1]" 1
412 1 67 SER H 1 68 THR H . . 5.000 3.970 2.388 4.566 . 0 0 "[ . 1]" 1
413 1 67 SER H 1 68 THR HA . . 5.000 4.920 4.425 5.333 0.333 2 0 "[ . 1]" 1
414 1 67 SER HA 1 68 THR MG . . 5.400 4.266 3.366 5.435 0.035 7 0 "[ . 1]" 1
415 1 67 SER HA 1 69 ALA H . . 5.200 4.366 3.393 5.683 0.483 1 0 "[ . 1]" 1
416 1 67 SER HG 1 68 THR H . . 5.000 4.511 3.407 5.553 0.553 1 1 "[+ . 1]" 1
417 1 67 SER HG 1 69 ALA MB . . 5.000 5.053 3.564 6.536 1.536 3 3 "[* + .- 1]" 1
418 1 68 THR HA 1 69 ALA H . . 5.000 3.118 2.142 3.531 . 0 0 "[ . 1]" 1
419 1 68 THR HB 1 69 ALA H . . 5.000 4.062 3.006 4.495 . 0 0 "[ . 1]" 1
420 1 68 THR MG 1 69 ALA H . . 5.000 2.987 1.498 4.108 . 0 0 "[ . 1]" 1
421 1 68 THR MG 1 70 SER H . . 5.000 3.733 1.752 5.049 0.049 6 0 "[ . 1]" 1
422 1 68 THR H 1 69 ALA MB . . 5.000 4.499 3.717 5.008 0.008 6 0 "[ . 1]" 1
423 1 68 THR H 1 69 ALA H . . 5.000 2.759 1.704 4.496 . 0 0 "[ . 1]" 1
424 1 68 THR HA 1 69 ALA MB . . 5.000 4.024 3.842 4.304 . 0 0 "[ . 1]" 1
425 1 68 THR MG 1 69 ALA MB . . 5.000 4.094 3.856 4.425 . 0 0 "[ . 1]" 1
426 1 69 ALA MB 1 70 SER H . . 5.000 3.398 2.371 3.648 . 0 0 "[ . 1]" 1
427 1 69 ALA H 1 70 SER H . . 5.000 2.897 1.543 4.304 . 0 0 "[ . 1]" 1
428 1 69 ALA HA 1 70 SER HB3 . . 5.000 5.178 4.515 5.769 0.769 7 3 "[* - . + 1]" 1
429 1 70 SER HA 1 71 ASP H . . 5.000 2.709 2.139 3.542 . 0 0 "[ . 1]" 1
430 1 70 SER HB2 1 71 ASP H . . 5.000 4.119 3.300 4.592 . 0 0 "[ . 1]" 1
431 1 70 SER H 1 71 ASP QB . . 5.000 4.524 3.640 5.078 0.078 9 0 "[ . 1]" 1
432 1 70 SER H 1 71 ASP H . . 5.000 3.488 2.330 4.310 . 0 0 "[ . 1]" 1
433 1 70 SER HB3 1 71 ASP HA . . 5.000 4.536 3.909 5.089 0.089 4 0 "[ . 1]" 1
434 1 70 SER HG 1 72 ALA H . . 5.400 5.181 3.807 6.422 1.022 1 3 "[+ -* 1]" 1
435 1 70 SER HG 1 72 ALA MB . . 5.000 4.228 3.498 5.719 0.719 1 1 "[+ . 1]" 1
436 1 71 ASP HA 1 72 ALA H . . 5.000 3.169 2.177 3.565 . 0 0 "[ . 1]" 1
437 1 71 ASP QB 1 72 ALA H . . 5.000 2.531 1.773 3.905 . 0 0 "[ . 1]" 1
438 1 71 ASP H 1 72 ALA H . . 5.000 3.308 2.155 4.396 . 0 0 "[ . 1]" 1
439 1 71 ASP H 1 72 ALA MB . . 5.000 4.249 3.493 4.832 . 0 0 "[ . 1]" 1
440 1 71 ASP QB 1 111 HIS H . . 5.000 3.808 2.037 4.818 . 0 0 "[ . 1]" 1
441 1 71 ASP HA 1 74 GLU QB . . 5.000 3.698 1.744 5.575 0.575 4 1 "[ +. 1]" 1
442 1 71 ASP HA 1 110 LEU HA . . 5.000 5.238 4.232 6.568 1.568 7 3 "[ * . + -]" 1
443 1 71 ASP QB 1 72 ALA HA . . 5.200 4.112 3.634 4.483 . 0 0 "[ . 1]" 1
444 1 71 ASP QB 1 74 GLU H . . 5.200 4.018 3.382 5.409 0.209 6 0 "[ . 1]" 1
445 1 71 ASP QB 1 110 LEU QD . . 5.000 2.640 1.540 3.684 . 0 0 "[ . 1]" 1
446 1 72 ALA HA 1 73 GLY H . . 5.000 3.307 2.912 3.557 . 0 0 "[ . 1]" 1
447 1 72 ALA MB 1 73 GLY H . . 5.000 2.750 1.762 3.664 . 0 0 "[ . 1]" 1
448 1 72 ALA MB 1 74 GLU H . . 5.000 4.571 3.563 5.437 0.437 9 0 "[ . 1]" 1
449 1 72 ALA H 1 74 GLU H . . 5.000 4.123 2.724 5.454 0.454 6 0 "[ . 1]" 1
450 1 72 ALA H 1 74 GLU QB . . 5.000 4.634 2.802 6.101 1.101 9 2 "[ - +1]" 1
451 1 72 ALA MB 1 73 GLY HA2 . . 5.000 4.106 3.797 4.302 . 0 0 "[ . 1]" 1
452 1 73 GLY HA2 1 74 GLU H . . 5.000 3.181 2.265 3.586 . 0 0 "[ . 1]" 1
453 1 73 GLY H 1 75 THR MG . . 5.000 4.625 3.381 6.245 1.245 10 2 "[ .- +]" 1
454 1 73 GLY H 1 74 GLU H . . 5.000 2.463 1.880 4.042 . 0 0 "[ . 1]" 1
455 1 73 GLY H 1 75 THR H . . 5.000 4.396 2.829 6.505 1.505 10 2 "[ .- +]" 1
456 1 73 GLY HA2 1 75 THR H . . 5.200 4.374 3.798 5.141 . 0 0 "[ . 1]" 1
457 1 73 GLY HA2 1 75 THR MG . . 5.000 3.536 2.735 4.620 . 0 0 "[ . 1]" 1
458 1 73 GLY HA3 1 74 GLU H . . 5.000 3.115 2.577 3.511 . 0 0 "[ . 1]" 1
459 1 73 GLY HA2 1 74 GLU HA . . 5.000 4.639 4.335 4.844 . 0 0 "[ . 1]" 1
460 1 74 GLU HA 1 75 THR H . . 5.000 3.273 2.173 3.544 . 0 0 "[ . 1]" 1
461 1 74 GLU QB 1 75 THR H . . 5.000 2.801 2.328 4.022 . 0 0 "[ . 1]" 1
462 1 74 GLU H 1 75 THR H . . 5.000 2.719 1.965 3.946 . 0 0 "[ . 1]" 1
463 1 74 GLU H 1 75 THR MG . . 5.000 3.819 2.493 4.487 . 0 0 "[ . 1]" 1
464 1 74 GLU HA 1 75 THR MG . . 5.000 4.214 3.922 4.636 . 0 0 "[ . 1]" 1
465 1 74 GLU QB 1 110 LEU HB3 . . 5.000 3.917 2.550 5.751 0.751 7 2 "[ . + -1]" 1
466 1 74 GLU QB 1 75 THR HA . . 5.000 4.378 4.069 4.923 . 0 0 "[ . 1]" 1
467 1 74 GLU HG3 1 75 THR HG1 . . 5.000 4.654 4.167 5.463 0.463 5 0 "[ . 1]" 1
468 1 75 THR HA 1 76 HIS H . . 5.000 2.189 2.106 2.290 . 0 0 "[ . 1]" 1
469 1 75 THR MG 1 76 HIS H . . 5.000 4.133 3.984 4.234 . 0 0 "[ . 1]" 1
470 1 75 THR HG1 1 76 HIS H . . 5.000 4.504 4.395 4.576 . 0 0 "[ . 1]" 1
471 1 75 THR HG1 1 77 PHE H . . 5.200 4.882 4.275 5.488 0.288 3 0 "[ . 1]" 1
472 1 75 THR H 1 111 HIS HA . . 6.000 6.207 5.452 6.732 0.732 10 4 "[ ** -+]" 1
473 1 75 THR H 1 111 HIS HB2 . . 5.700 5.239 3.530 6.507 0.807 4 2 "[ +. - 1]" 1
474 1 75 THR MG 1 111 HIS H . . 5.000 3.826 3.452 4.410 . 0 0 "[ . 1]" 1
475 1 75 THR HB 1 111 HIS HA . . 5.200 6.100 5.526 6.570 1.370 6 8 "[-****+ * *]" 1
476 1 75 THR MG 1 111 HIS HB2 . . 5.000 3.793 2.690 4.676 . 0 0 "[ . 1]" 1
477 1 75 THR HA 1 110 LEU HB2 . . 5.000 3.508 2.693 4.472 . 0 0 "[ . 1]" 1
478 1 75 THR H 1 111 HIS H . . 5.000 4.037 3.158 4.851 . 0 0 "[ . 1]" 1
479 1 75 THR H 1 111 HIS HB3 . . 5.800 4.962 3.767 5.621 . 0 0 "[ . 1]" 1
480 1 75 THR HA 1 110 LEU HB3 . . 5.000 4.249 2.863 5.915 0.915 6 1 "[ .+ 1]" 1
481 1 75 THR HA 1 111 HIS H . . 5.000 3.473 2.924 4.689 . 0 0 "[ . 1]" 1
482 1 75 THR HA 1 111 HIS HB3 . . 5.000 4.380 3.622 4.867 . 0 0 "[ . 1]" 1
483 1 75 THR HA 1 112 ALA HA . . 5.000 3.362 2.531 3.732 . 0 0 "[ . 1]" 1
484 1 75 THR HB 1 76 HIS HA . . 5.000 4.806 4.586 4.973 . 0 0 "[ . 1]" 1
485 1 75 THR HB 1 111 HIS HB3 . . 5.000 5.247 4.465 5.848 0.848 2 3 "[ + .- * 1]" 1
486 1 76 HIS HB3 1 110 LEU H . . 6.000 6.229 5.554 6.666 0.666 6 4 "[-* .+ * 1]" 1
487 1 76 HIS HB2 1 110 LEU QD . . 5.000 2.488 1.662 3.817 . 0 0 "[ . 1]" 1
488 1 76 HIS HD2 1 108 ALA MB . . 5.000 5.312 3.449 6.565 1.565 10 4 "[- *. * +]" 1
489 1 76 HIS H 1 77 PHE H . . 5.000 2.219 2.012 2.551 . 0 0 "[ . 1]" 1
490 1 76 HIS H 1 105 GLU QG . . 5.900 5.506 3.952 6.308 0.408 9 0 "[ . 1]" 1
491 1 76 HIS H 1 112 ALA HA . . 5.000 4.238 3.769 4.901 . 0 0 "[ . 1]" 1
492 1 76 HIS HA 1 112 ALA HA . . 5.900 6.101 5.437 6.581 0.681 2 3 "[ +* . - 1]" 1
493 1 76 HIS H 1 112 ALA MB . . 5.000 4.627 4.063 5.095 0.095 9 0 "[ . 1]" 1
494 1 76 HIS HA 1 77 PHE H . . 5.000 3.218 3.079 3.428 . 0 0 "[ . 1]" 1
495 1 76 HIS HB3 1 77 PHE H . . 5.000 4.068 3.713 4.273 . 0 0 "[ . 1]" 1
496 1 76 HIS HB3 1 110 LEU HG . . 5.000 3.875 1.914 5.020 0.020 3 0 "[ . 1]" 1
497 1 77 PHE H 1 112 ALA HA . . 5.000 3.328 2.765 4.000 . 0 0 "[ . 1]" 1
498 1 77 PHE HA 1 78 ARG H . . 5.000 2.193 2.161 2.253 . 0 0 "[ . 1]" 1
499 1 77 PHE HB3 1 78 ARG H . . 5.000 4.148 4.079 4.223 . 0 0 "[ . 1]" 1
500 1 77 PHE H 1 113 LEU H . . 5.000 4.665 4.108 5.262 0.262 3 0 "[ . 1]" 1
501 1 77 PHE H 1 112 ALA MB . . 5.000 3.504 3.097 3.800 . 0 0 "[ . 1]" 1
502 1 77 PHE H 1 112 ALA H . . 5.900 5.689 5.054 6.216 0.316 2 0 "[ . 1]" 1
503 1 77 PHE HA 1 112 ALA HA . . 5.800 5.323 4.697 6.081 0.281 2 0 "[ . 1]" 1
504 1 77 PHE HA 1 112 ALA MB . . 5.000 4.332 4.061 4.851 . 0 0 "[ . 1]" 1
505 1 77 PHE HB2 1 105 GLU HB3 . . 5.000 3.805 2.308 4.765 . 0 0 "[ . 1]" 1
506 1 77 PHE HB2 1 105 GLU H . . 5.000 4.528 3.456 5.289 0.289 6 0 "[ . 1]" 1
507 1 77 PHE HB2 1 105 GLU HA . . 5.000 3.398 2.507 4.050 . 0 0 "[ . 1]" 1
508 1 77 PHE H 1 78 ARG H . . 5.000 4.298 4.179 4.407 . 0 0 "[ . 1]" 1
509 1 77 PHE H 1 105 GLU HA . . 5.000 5.287 4.173 6.024 1.024 6 3 "[* .+ -1]" 1
510 1 77 PHE H 1 105 GLU HB2 . . 5.700 4.461 3.416 4.965 . 0 0 "[ . 1]" 1
511 1 77 PHE H 1 105 GLU QG . . 5.900 5.234 3.651 6.224 0.324 4 0 "[ . 1]" 1
512 1 77 PHE H 1 110 LEU QD . . 5.300 3.807 2.520 5.554 0.254 5 0 "[ . 1]" 1
513 1 77 PHE HA 1 78 ARG QB . . 5.000 4.340 3.879 4.515 . 0 0 "[ . 1]" 1
514 1 77 PHE HB3 1 105 GLU QG . . 5.000 3.882 2.983 4.771 . 0 0 "[ . 1]" 1
515 1 77 PHE HB3 1 112 ALA MB . . 5.000 2.170 1.746 3.051 . 0 0 "[ . 1]" 1
516 1 78 ARG HA 1 113 LEU H . . 5.000 2.860 2.439 3.536 . 0 0 "[ . 1]" 1
517 1 78 ARG HA 1 79 LEU H . . 5.000 2.142 2.073 2.242 . 0 0 "[ . 1]" 1
518 1 78 ARG QB 1 79 LEU H . . 5.000 3.174 2.831 3.725 . 0 0 "[ . 1]" 1
519 1 78 ARG QG 1 79 LEU H . . 5.000 3.855 2.705 4.334 . 0 0 "[ . 1]" 1
520 1 78 ARG HA 1 114 SER HA . . 5.000 4.120 3.703 4.418 . 0 0 "[ . 1]" 1
521 1 78 ARG QB 1 113 LEU H . . 5.000 3.320 3.070 3.870 . 0 0 "[ . 1]" 1
522 1 78 ARG HA 1 113 LEU QB . . 5.200 5.023 4.607 5.845 0.645 2 1 "[ + . 1]" 1
523 1 78 ARG QB 1 113 LEU MD1 . . 5.000 2.979 2.132 4.749 . 0 0 "[ . 1]" 1
524 1 78 ARG QB 1 113 LEU HA . . 5.400 5.338 5.007 6.270 0.870 3 2 "[ +-. 1]" 1
525 1 78 ARG QG 1 113 LEU HG . . 5.200 4.505 2.422 5.392 0.192 5 0 "[ . 1]" 1
526 1 78 ARG QB 1 113 LEU HG . . 5.000 3.022 2.190 4.562 . 0 0 "[ . 1]" 1
527 1 78 ARG H 1 112 ALA MB . . 5.200 4.374 4.112 4.758 . 0 0 "[ . 1]" 1
528 1 78 ARG HA 1 79 LEU QB . . 5.200 3.988 3.907 4.094 . 0 0 "[ . 1]" 1
529 1 78 ARG HA 1 101 LEU MD1 . . 5.400 3.625 2.264 5.421 0.021 4 0 "[ . 1]" 1
530 1 78 ARG HA 1 112 ALA MB . . 5.000 3.167 2.785 3.579 . 0 0 "[ . 1]" 1
531 1 78 ARG HA 1 113 LEU HG . . 5.000 3.904 2.998 4.950 . 0 0 "[ . 1]" 1
532 1 78 ARG HA 1 113 LEU MD1 . . 5.000 4.217 3.109 5.455 0.455 3 0 "[ . 1]" 1
533 1 78 ARG HE 1 113 LEU MD1 . . 5.000 3.505 2.263 4.595 . 0 0 "[ . 1]" 1
534 1 78 ARG HE 1 115 MET QG . . 5.700 5.055 3.562 6.261 0.561 3 1 "[ + . 1]" 1
535 1 79 LEU H 1 114 SER HA . . 5.000 2.760 2.392 3.574 . 0 0 "[ . 1]" 1
536 1 79 LEU HA 1 80 GLU H . . 5.000 2.132 2.121 2.142 . 0 0 "[ . 1]" 1
537 1 79 LEU H 1 115 MET H . . 5.000 4.263 3.870 5.105 0.105 2 0 "[ . 1]" 1
538 1 79 LEU QB 1 80 GLU H . . 5.000 3.839 3.797 3.865 . 0 0 "[ . 1]" 1
539 1 79 LEU HG 1 80 GLU H . . 5.000 4.710 3.581 4.909 . 0 0 "[ . 1]" 1
540 1 79 LEU QD 1 80 GLU H . . 5.000 2.203 2.037 2.310 . 0 0 "[ . 1]" 1
541 1 79 LEU H 1 114 SER HB2 . . 5.000 4.093 3.260 5.019 0.019 9 0 "[ . 1]" 1
542 1 79 LEU H 1 113 LEU HA . . 5.500 5.388 4.961 6.046 0.546 2 1 "[ + . 1]" 1
543 1 79 LEU HA 1 114 SER HB2 . . 5.900 5.701 5.283 6.656 0.756 9 1 "[ . +1]" 1
544 1 79 LEU QB 1 102 LEU H . . 6.000 5.778 5.217 6.181 0.181 9 0 "[ . 1]" 1
545 1 79 LEU HG 1 114 SER HB2 . . 5.600 5.141 4.227 5.847 0.247 5 0 "[ . 1]" 1
546 1 79 LEU QD 1 101 LEU MD1 . . 5.200 3.391 2.274 4.182 . 0 0 "[ . 1]" 1
547 1 79 LEU H 1 80 GLU H . . 5.000 4.259 4.202 4.300 . 0 0 "[ . 1]" 1
548 1 79 LEU H 1 101 LEU HB3 . . 6.500 6.017 4.279 6.556 0.056 5 0 "[ . 1]" 1
549 1 79 LEU H 1 101 LEU MD1 . . 5.000 2.909 1.940 4.093 . 0 0 "[ . 1]" 1
550 1 79 LEU H 1 113 LEU H . . 5.000 4.270 3.795 4.978 . 0 0 "[ . 1]" 1
551 1 79 LEU H 1 114 SER H . . 5.000 4.930 4.586 5.709 0.709 2 1 "[ + . 1]" 1
552 1 79 LEU H 1 114 SER HB3 . . 5.000 3.908 2.616 5.352 0.352 10 0 "[ . 1]" 1
553 1 79 LEU HA 1 114 SER HA . . 5.000 4.817 4.453 5.463 0.463 2 0 "[ . 1]" 1
554 1 79 LEU HA 1 101 LEU MD1 . . 5.900 4.368 3.641 5.096 . 0 0 "[ . 1]" 1
555 1 79 LEU QB 1 101 LEU HA . . 5.000 4.031 2.697 4.606 . 0 0 "[ . 1]" 1
556 1 79 LEU QB 1 114 SER HA . . 5.000 3.445 2.754 4.889 . 0 0 "[ . 1]" 1
557 1 79 LEU QB 1 115 MET H . . 5.000 4.682 4.062 6.042 1.042 2 2 "[ + - 1]" 1
558 1 79 LEU HG 1 100 GLY HA3 . . 5.900 4.154 2.341 4.987 . 0 0 "[ . 1]" 1
559 1 79 LEU HG 1 101 LEU H . . 5.300 4.895 3.600 5.981 0.681 1 1 "[+ . 1]" 1
560 1 79 LEU QD 1 114 SER HA . . 5.100 4.103 3.524 5.707 0.607 2 1 "[ + . 1]" 1
561 1 80 GLU HA 1 115 MET H . . 5.000 2.864 2.567 3.308 . 0 0 "[ . 1]" 1
562 1 80 GLU HA 1 81 VAL H . . 5.000 2.161 2.112 2.238 . 0 0 "[ . 1]" 1
563 1 80 GLU QB 1 81 VAL H . . 5.000 3.397 2.937 3.876 . 0 0 "[ . 1]" 1
564 1 80 GLU HA 1 116 THR HA . . 5.000 3.846 3.489 4.376 . 0 0 "[ . 1]" 1
565 1 80 GLU HA 1 115 MET QG . . 5.000 4.335 2.240 5.437 0.437 5 0 "[ . 1]" 1
566 1 80 GLU HG2 1 115 MET HB2 . . 5.400 3.219 1.660 5.645 0.245 4 0 "[ . 1]" 1
567 1 80 GLU HA 1 115 MET HB2 . . 5.000 4.061 3.029 5.319 0.319 8 0 "[ . 1]" 1
568 1 80 GLU HG2 1 115 MET ME . . 5.200 4.250 2.779 5.354 0.154 2 0 "[ . 1]" 1
569 1 80 GLU HG2 1 115 MET QG . . 5.200 3.305 1.956 6.119 0.919 6 1 "[ .+ 1]" 1
570 1 80 GLU QB 1 115 MET QG . . 5.000 4.176 2.403 5.078 0.078 9 0 "[ . 1]" 1
571 1 80 GLU H 1 81 VAL H . . 5.000 4.240 4.137 4.419 . 0 0 "[ . 1]" 1
572 1 80 GLU H 1 81 VAL QG . . 5.000 4.061 3.557 4.909 . 0 0 "[ . 1]" 1
573 1 80 GLU HA 1 81 VAL QG . . 5.000 3.404 3.243 3.575 . 0 0 "[ . 1]" 1
574 1 80 GLU QB 1 115 MET HB3 . . 5.900 4.850 3.822 6.157 0.257 8 0 "[ . 1]" 1
575 1 81 VAL H 1 116 THR HA . . 5.000 2.417 2.070 2.720 . 0 0 "[ . 1]" 1
576 1 81 VAL HA 1 82 THR H . . 5.000 2.110 2.072 2.163 . 0 0 "[ . 1]" 1
577 1 81 VAL HB 1 82 THR H . . 5.000 3.504 3.078 4.132 . 0 0 "[ . 1]" 1
578 1 81 VAL QG 1 82 THR H . . 5.000 3.211 2.548 3.527 . 0 0 "[ . 1]" 1
579 1 81 VAL H 1 117 THR H . . 5.000 3.819 3.504 4.291 . 0 0 "[ . 1]" 1
580 1 81 VAL QG 1 98 ILE MG . . 5.000 3.394 2.271 3.902 . 0 0 "[ . 1]" 1
581 1 81 VAL QG 1 95 HIS H . . 5.300 4.629 3.872 5.193 . 0 0 "[ . 1]" 1
582 1 81 VAL HA 1 116 THR HB . . 5.900 5.542 5.231 6.074 0.174 10 0 "[ . 1]" 1
583 1 81 VAL H 1 116 THR HB . . 5.000 3.551 2.720 3.941 . 0 0 "[ . 1]" 1
584 1 81 VAL QG 1 116 THR H . . 5.100 4.377 4.103 4.659 . 0 0 "[ . 1]" 1
585 1 81 VAL HB 1 116 THR MG . . 5.900 5.030 4.162 6.159 0.259 10 0 "[ . 1]" 1
586 1 81 VAL QG 1 116 THR MG . . 5.000 2.532 1.592 3.572 . 0 0 "[ . 1]" 1
587 1 81 VAL H 1 117 THR MG . . 5.000 4.746 4.345 5.512 0.512 2 1 "[ + . 1]" 1
588 1 81 VAL H 1 115 MET H . . 5.000 4.443 4.087 4.846 . 0 0 "[ . 1]" 1
589 1 81 VAL H 1 116 THR MG . . 5.200 3.537 1.923 4.876 . 0 0 "[ . 1]" 1
590 1 81 VAL HB 1 116 THR HB . . 5.400 4.651 4.466 5.172 . 0 0 "[ . 1]" 1
591 1 81 VAL HB 1 98 ILE MD . . 5.000 4.473 3.175 5.424 0.424 9 0 "[ . 1]" 1
592 1 81 VAL QG 1 116 THR HB . . 5.000 1.934 1.510 2.392 . 0 0 "[ . 1]" 1
593 1 81 VAL QG 1 117 THR H . . 5.200 3.219 2.882 3.934 . 0 0 "[ . 1]" 1
594 1 82 THR HA 1 117 THR H . . 5.000 2.787 2.549 3.048 . 0 0 "[ . 1]" 1
595 1 82 THR HA 1 83 SER H . . 5.000 2.162 2.121 2.198 . 0 0 "[ . 1]" 1
596 1 82 THR HB 1 83 SER H . . 5.000 4.324 4.213 4.382 . 0 0 "[ . 1]" 1
597 1 82 THR MG 1 83 SER H . . 5.000 3.070 2.838 3.139 . 0 0 "[ . 1]" 1
598 1 82 THR MG 1 117 THR H . . 5.000 4.173 3.843 4.569 . 0 0 "[ . 1]" 1
599 1 82 THR HA 1 118 LYS HA . . 5.000 4.382 4.105 4.601 . 0 0 "[ . 1]" 1
600 1 82 THR H 1 116 THR HA . . 5.800 5.251 5.015 5.588 . 0 0 "[ . 1]" 1
601 1 82 THR HA 1 117 THR MG . . 5.000 2.387 1.659 4.196 . 0 0 "[ . 1]" 1
602 1 82 THR HA 1 117 THR HB . . 5.000 4.532 4.095 4.804 . 0 0 "[ . 1]" 1
603 1 82 THR MG 1 84 ASP H . . 5.000 3.708 3.395 4.243 . 0 0 "[ . 1]" 1
604 1 82 THR HB 1 117 THR MG . . 5.000 4.181 3.668 5.892 0.892 9 2 "[ - . +1]" 1
605 1 82 THR MG 1 117 THR MG . . 5.000 2.178 1.650 3.886 . 0 0 "[ . 1]" 1
606 1 82 THR H 1 83 SER H . . 5.000 4.143 4.068 4.243 . 0 0 "[ . 1]" 1
607 1 82 THR HA 1 116 THR HG1 . . 6.100 6.006 3.903 6.646 0.546 2 4 "[ +* .- *1]" 1
608 1 82 THR HG1 1 116 THR HA . . 5.600 4.427 3.576 4.912 . 0 0 "[ . 1]" 1
609 1 82 THR MG 1 85 ALA HA . . 5.000 1.994 1.782 2.294 . 0 0 "[ . 1]" 1
610 1 82 THR HA 1 117 THR HG1 . . 5.000 4.420 1.628 5.417 0.417 5 0 "[ . 1]" 1
611 1 82 THR HG1 1 117 THR HG1 . . 5.000 5.378 2.673 6.502 1.502 5 8 "[* -*+*** *]" 1
612 1 83 SER H 1 118 LYS HA . . 5.000 2.593 2.356 2.897 . 0 0 "[ . 1]" 1
613 1 83 SER HA 1 84 ASP H . . 5.000 2.144 2.121 2.173 . 0 0 "[ . 1]" 1
614 1 83 SER QB 1 84 ASP H . . 5.000 3.460 3.220 3.605 . 0 0 "[ . 1]" 1
615 1 83 SER H 1 118 LYS QB . . 5.000 3.619 2.992 4.284 . 0 0 "[ . 1]" 1
616 1 83 SER H 1 117 THR H . . 5.000 3.999 3.795 4.159 . 0 0 "[ . 1]" 1
617 1 83 SER HG 1 118 LYS H . . 5.400 6.348 5.621 6.591 1.191 3 9 "[ *+**-****]" 1
618 1 83 SER HA 1 118 LYS QB . . 5.200 5.268 4.614 6.059 0.859 4 2 "[ +. - 1]" 1
619 1 83 SER HA 1 118 LYS QG . . 5.200 4.429 3.911 4.840 . 0 0 "[ . 1]" 1
620 1 83 SER QB 1 85 ALA H . . 5.200 4.206 4.067 4.421 . 0 0 "[ . 1]" 1
621 1 83 SER HG 1 94 ARG QG . . 5.200 4.834 3.513 5.429 0.229 5 0 "[ . 1]" 1
622 1 83 SER HG 1 97 LEU QD . . 6.000 6.313 5.797 6.472 0.472 3 0 "[ . 1]" 1
623 1 83 SER H 1 84 ASP H . . 5.000 4.219 4.118 4.376 . 0 0 "[ . 1]" 1
624 1 83 SER H 1 85 ALA H . . 5.000 3.466 3.154 3.932 . 0 0 "[ . 1]" 1
625 1 83 SER H 1 117 THR HG1 . . 5.000 4.877 2.700 5.569 0.569 3 2 "[ + - 1]" 1
626 1 83 SER HA 1 85 ALA H . . 5.000 3.633 3.487 3.787 . 0 0 "[ . 1]" 1
627 1 83 SER QB 1 94 ARG HD3 . . 5.300 4.827 4.129 5.627 0.327 10 0 "[ . 1]" 1
628 1 83 SER QB 1 118 LYS HA . . 5.000 2.047 1.564 2.888 . 0 0 "[ . 1]" 1
629 1 83 SER QB 1 118 LYS QG . . 5.000 1.855 1.084 2.645 . 0 0 "[ . 1]" 1
630 1 83 SER QB 1 119 THR H . . 5.000 2.617 1.722 3.674 . 0 0 "[ . 1]" 1
631 1 83 SER HG 1 118 LYS HA . . 5.000 4.086 3.535 4.872 . 0 0 "[ . 1]" 1
632 1 83 SER HG 1 118 LYS QG . . 5.000 3.082 1.987 4.324 . 0 0 "[ . 1]" 1
633 1 84 ASP HA 1 85 ALA H . . 5.000 3.311 3.175 3.442 . 0 0 "[ . 1]" 1
634 1 84 ASP HB2 1 85 ALA H . . 5.000 3.547 3.068 4.325 . 0 0 "[ . 1]" 1
635 1 84 ASP HB3 1 85 ALA H . . 5.000 4.058 3.518 4.358 . 0 0 "[ . 1]" 1
636 1 84 ASP H 1 85 ALA H . . 5.000 2.788 2.644 2.978 . 0 0 "[ . 1]" 1
637 1 84 ASP HB2 1 86 PHE H . . 5.300 3.839 3.144 4.791 . 0 0 "[ . 1]" 1
638 1 84 ASP H 1 119 THR HG1 . . 5.700 5.126 3.948 6.333 0.633 9 1 "[ . +1]" 1
639 1 84 ASP H 1 85 ALA MB . . 5.000 4.390 4.225 4.571 . 0 0 "[ . 1]" 1
640 1 84 ASP HA 1 85 ALA MB . . 5.000 3.916 3.749 4.036 . 0 0 "[ . 1]" 1
641 1 84 ASP HB3 1 119 THR H . . 5.000 4.593 3.168 5.832 0.832 5 1 "[ + 1]" 1
642 1 84 ASP HB3 1 119 THR HG1 . . 5.000 3.220 2.362 4.123 . 0 0 "[ . 1]" 1
643 1 85 ALA HA 1 86 PHE H . . 5.000 2.739 2.394 3.123 . 0 0 "[ . 1]" 1
644 1 85 ALA MB 1 86 PHE H . . 5.000 3.660 3.552 3.722 . 0 0 "[ . 1]" 1
645 1 85 ALA H 1 86 PHE H . . 5.000 2.771 2.596 3.090 . 0 0 "[ . 1]" 1
646 1 85 ALA HA 1 87 LYS H . . 5.000 5.569 4.612 6.417 1.417 4 5 "[ +** -*1]" 1
647 1 85 ALA H 1 86 PHE HA . . 5.700 5.331 5.215 5.503 . 0 0 "[ . 1]" 1
648 1 85 ALA MB 1 87 LYS H . . 5.400 5.781 5.091 6.231 0.831 6 4 "[ *-+ *1]" 1
649 1 85 ALA H 1 118 LYS HA . . 5.000 4.440 3.816 5.242 0.242 6 0 "[ . 1]" 1
650 1 85 ALA H 1 119 THR H . . 5.000 4.902 4.357 5.666 0.666 6 1 "[ .+ 1]" 1
651 1 85 ALA HA 1 117 THR MG . . 5.400 3.496 2.531 5.349 . 0 0 "[ . 1]" 1
652 1 86 PHE HA 1 87 LYS H . . 5.000 2.227 2.150 2.357 . 0 0 "[ . 1]" 1
653 1 86 PHE HB2 1 87 LYS H . . 5.000 4.267 3.768 4.560 . 0 0 "[ . 1]" 1
654 1 86 PHE HB3 1 87 LYS H . . 5.000 3.825 2.502 4.458 . 0 0 "[ . 1]" 1
655 1 86 PHE H 1 87 LYS H . . 5.000 3.913 3.334 4.456 . 0 0 "[ . 1]" 1
656 1 86 PHE H 1 87 LYS QB . . 5.000 5.091 4.263 5.980 0.980 4 1 "[ +. 1]" 1
657 1 86 PHE H 1 87 LYS HD2 . . 6.200 6.482 5.687 6.757 0.557 2 3 "[ +- * 1]" 1
658 1 86 PHE H 1 87 LYS HA . . 5.000 4.343 3.955 4.852 . 0 0 "[ . 1]" 1
659 1 86 PHE H 1 117 THR HG1 . . 5.000 3.882 3.097 5.341 0.341 2 0 "[ . 1]" 1
660 1 86 PHE H 1 119 THR HA . . 5.000 4.614 4.203 5.503 0.503 6 1 "[ .+ 1]" 1
661 1 86 PHE H 1 119 THR MG . . 5.000 3.580 2.150 5.181 0.181 9 0 "[ . 1]" 1
662 1 86 PHE HB3 1 119 THR HA . . 5.000 3.661 3.020 4.407 . 0 0 "[ . 1]" 1
663 1 86 PHE HB3 1 119 THR MG . . 5.000 2.482 1.662 4.061 . 0 0 "[ . 1]" 1
664 1 87 LYS HA 1 88 GLY H . . 5.000 2.181 2.108 2.266 . 0 0 "[ . 1]" 1
665 1 87 LYS QB 1 88 GLY H . . 5.000 3.430 2.765 3.824 . 0 0 "[ . 1]" 1
666 1 87 LYS HD2 1 88 GLY H . . 5.200 3.924 2.183 6.081 0.881 10 1 "[ . +]" 1
667 1 87 LYS HA 1 89 LEU H . . 5.000 3.946 3.459 4.632 . 0 0 "[ . 1]" 1
668 1 87 LYS HG3 1 91 LEU QD . . 5.300 4.954 4.066 5.508 0.208 4 0 "[ . 1]" 1
669 1 87 LYS H 1 117 THR HG1 . . 5.000 3.887 2.468 6.246 1.246 9 1 "[ . +1]" 1
670 1 87 LYS H 1 119 THR HA . . 5.300 5.259 4.531 5.955 0.655 3 1 "[ + . 1]" 1
671 1 87 LYS H 1 119 THR MG . . 5.200 5.163 4.116 6.040 0.840 8 2 "[ . +-1]" 1
672 1 87 LYS HA 1 117 THR HB . . 5.000 4.202 2.980 5.246 0.246 4 0 "[ . 1]" 1
673 1 87 LYS HA 1 118 LYS H . . 5.000 2.919 2.291 4.564 . 0 0 "[ . 1]" 1
674 1 87 LYS HA 1 119 THR HA . . 5.000 4.147 3.408 5.029 0.029 6 0 "[ . 1]" 1
675 1 87 LYS HA 1 119 THR MG . . 5.400 5.042 4.187 5.746 0.346 9 0 "[ . 1]" 1
676 1 87 LYS QB 1 88 GLY HA2 . . 5.200 4.184 3.793 4.568 . 0 0 "[ . 1]" 1
677 1 87 LYS QB 1 117 THR HB . . 5.000 3.779 2.472 5.530 0.530 4 1 "[ +. 1]" 1
678 1 87 LYS HG3 1 91 LEU HB3 . . 5.000 5.051 4.010 5.961 0.961 4 3 "[ +.* -]" 1
679 1 88 GLY HA2 1 89 LEU H . . 5.000 3.502 3.275 3.569 . 0 0 "[ . 1]" 1
680 1 88 GLY HA3 1 89 LEU H . . 5.000 2.824 2.459 3.275 . 0 0 "[ . 1]" 1
681 1 88 GLY H 1 89 LEU H . . 5.000 2.001 1.643 2.558 . 0 0 "[ . 1]" 1
682 1 88 GLY H 1 89 LEU QD . . 5.000 4.189 3.018 5.023 0.023 6 0 "[ . 1]" 1
683 1 88 GLY H 1 89 LEU HG . . 5.300 4.779 3.236 6.365 1.065 4 2 "[ - +. 1]" 1
684 1 88 GLY H 1 91 LEU HA . . 6.000 6.337 5.521 6.592 0.592 5 6 "[***-+* 1]" 1
685 1 88 GLY H 1 119 THR HA . . 5.000 3.793 3.062 4.681 . 0 0 "[ . 1]" 1
686 1 89 LEU HA 1 90 THR H . . 5.000 2.339 2.209 2.376 . 0 0 "[ . 1]" 1
687 1 89 LEU HB2 1 90 THR H . . 5.000 3.365 2.441 4.249 . 0 0 "[ . 1]" 1
688 1 89 LEU HG 1 90 THR H . . 5.000 4.501 3.192 4.968 . 0 0 "[ . 1]" 1
689 1 89 LEU QD 1 90 THR H . . 5.000 2.946 1.544 3.630 . 0 0 "[ . 1]" 1
690 1 89 LEU H 1 90 THR MG . . 5.800 6.187 5.471 6.625 0.825 6 5 "[ ***.+ - 1]" 1
691 1 89 LEU H 1 90 THR H . . 5.000 4.541 4.428 4.607 . 0 0 "[ . 1]" 1
692 1 89 LEU HB3 1 90 THR MG . . 5.200 5.129 3.332 6.171 0.971 2 1 "[ + . 1]" 1
693 1 89 LEU QD 1 90 THR MG . . 5.400 4.248 3.112 5.436 0.036 6 0 "[ . 1]" 1
694 1 89 LEU QD 1 121 ALA H . . 5.000 2.844 2.047 4.344 . 0 0 "[ . 1]" 1
695 1 90 THR HA 1 91 LEU H . . 5.000 2.154 2.087 2.198 . 0 0 "[ . 1]" 1
696 1 90 THR HA 1 92 VAL H . . 5.000 3.943 3.774 4.202 . 0 0 "[ . 1]" 1
697 1 90 THR MG 1 91 LEU H . . 5.000 3.337 2.459 4.155 . 0 0 "[ . 1]" 1
698 1 90 THR H 1 91 LEU H . . 5.000 4.531 4.427 4.589 . 0 0 "[ . 1]" 1
699 1 90 THR HA 1 91 LEU QD . . 5.200 3.297 2.903 4.296 . 0 0 "[ . 1]" 1
700 1 90 THR HA 1 92 VAL MG2 . . 5.000 4.240 3.941 4.459 . 0 0 "[ . 1]" 1
701 1 90 THR HG1 1 93 LYS H . . 5.000 5.054 4.166 6.364 1.364 2 4 "[ +*-.* 1]" 1
702 1 91 LEU HA 1 92 VAL H . . 5.000 3.476 3.440 3.545 . 0 0 "[ . 1]" 1
703 1 91 LEU HA 1 93 LYS H . . 5.000 3.795 3.507 4.142 . 0 0 "[ . 1]" 1
704 1 91 LEU HB2 1 92 VAL H . . 5.000 4.069 3.812 4.217 . 0 0 "[ . 1]" 1
705 1 91 LEU HG 1 92 VAL H . . 5.000 2.668 2.187 3.043 . 0 0 "[ . 1]" 1
706 1 91 LEU H 1 92 VAL H . . 5.000 2.639 2.490 2.784 . 0 0 "[ . 1]" 1
707 1 91 LEU HA 1 94 ARG HB2 . . 5.000 3.937 3.546 4.496 . 0 0 "[ . 1]" 1
708 1 91 LEU HA 1 94 ARG H . . 5.000 3.710 3.377 4.073 . 0 0 "[ . 1]" 1
709 1 91 LEU HG 1 95 HIS H . . 5.000 5.493 5.096 6.114 1.114 8 4 "[ **- + 1]" 1
710 1 91 LEU QD 1 94 ARG H . . 6.000 5.289 4.845 5.597 . 0 0 "[ . 1]" 1
711 1 91 LEU QD 1 117 THR HB . . 5.900 5.619 4.803 6.257 0.357 9 0 "[ . 1]" 1
712 1 91 LEU HA 1 94 ARG QG . . 5.600 4.667 3.108 5.646 0.046 8 0 "[ . 1]" 1
713 1 91 LEU H 1 92 VAL MG2 . . 5.000 3.907 3.685 4.155 . 0 0 "[ . 1]" 1
714 1 91 LEU H 1 93 LYS H . . 5.000 4.319 3.977 4.624 . 0 0 "[ . 1]" 1
715 1 91 LEU HG 1 92 VAL HA . . 5.000 3.234 2.898 3.909 . 0 0 "[ . 1]" 1
716 1 91 LEU HG 1 92 VAL MG1 . . 5.000 2.675 2.147 3.152 . 0 0 "[ . 1]" 1
717 1 92 VAL HA 1 93 LYS H . . 3.500 3.438 3.392 3.483 . 0 0 "[ . 1]" 1
718 1 92 VAL HA 1 95 HIS H . . 5.000 3.381 3.187 3.683 . 0 0 "[ . 1]" 1
719 1 92 VAL HA 1 96 GLN H . . 5.000 4.397 3.977 5.068 0.068 2 0 "[ . 1]" 1
720 1 92 VAL HB 1 93 LYS H . . 5.000 4.044 3.932 4.126 . 0 0 "[ . 1]" 1
721 1 92 VAL MG2 1 93 LYS H . . 5.000 2.535 2.358 2.665 . 0 0 "[ . 1]" 1
722 1 92 VAL H 1 93 LYS H . . 2.800 2.653 2.553 2.789 . 0 0 "[ . 1]" 1
723 1 92 VAL HA 1 95 HIS HB2 . . 5.000 3.195 2.348 3.623 . 0 0 "[ . 1]" 1
724 1 92 VAL H 1 116 THR MG . . 5.200 5.208 4.079 6.529 1.329 6 4 "[ ** .+ -1]" 1
725 1 92 VAL MG2 1 95 HIS H . . 5.200 5.077 4.958 5.234 0.034 6 0 "[ . 1]" 1
726 1 92 VAL HB 1 96 GLN H . . 5.000 4.946 4.345 5.542 0.542 2 1 "[ + . 1]" 1
727 1 92 VAL MG2 1 96 GLN H . . 5.000 5.078 4.675 5.486 0.486 2 0 "[ . 1]" 1
728 1 92 VAL HA 1 94 ARG H . . 5.000 4.270 3.880 4.530 . 0 0 "[ . 1]" 1
729 1 93 LYS HA 1 94 ARG H . . 3.500 3.539 3.493 3.569 0.069 1 0 "[ . 1]" 1
730 1 93 LYS HA 1 96 GLN H . . 5.000 3.564 3.322 4.025 . 0 0 "[ . 1]" 1
731 1 93 LYS HB2 1 94 ARG H . . 5.000 3.846 3.732 4.012 . 0 0 "[ . 1]" 1
732 1 93 LYS QG 1 94 ARG H . . 5.000 3.941 3.382 4.414 . 0 0 "[ . 1]" 1
733 1 93 LYS H 1 94 ARG H . . 2.800 2.642 2.498 2.763 . 0 0 "[ . 1]" 1
734 1 93 LYS HA 1 96 GLN HB2 . . 5.000 3.685 3.112 4.254 . 0 0 "[ . 1]" 1
735 1 93 LYS HA 1 96 GLN QG . . 5.000 4.757 4.110 5.163 0.163 1 0 "[ . 1]" 1
736 1 93 LYS QG 1 96 GLN H . . 5.200 4.976 4.553 5.535 0.335 1 0 "[ . 1]" 1
737 1 93 LYS QG 1 96 GLN QG . . 5.400 5.158 4.525 5.766 0.366 1 0 "[ . 1]" 1
738 1 93 LYS QD 1 118 LYS QB . . 5.900 5.240 4.757 5.854 . 0 0 "[ . 1]" 1
739 1 93 LYS H 1 95 HIS H . . 5.000 4.019 3.778 4.370 . 0 0 "[ . 1]" 1
740 1 93 LYS HB3 1 97 LEU QD . . 5.000 4.343 3.838 5.000 0.000 1 0 "[ . 1]" 1
741 1 93 LYS QD 1 94 ARG HA . . 5.000 4.234 2.882 5.267 0.267 2 0 "[ . 1]" 1
742 1 93 LYS QD 1 94 ARG H . . 5.000 4.113 3.193 4.820 . 0 0 "[ . 1]" 1
743 1 93 LYS QD 1 97 LEU HG . . 5.100 4.063 2.577 5.120 0.020 4 0 "[ . 1]" 1
744 1 94 ARG HA 1 95 HIS H . . 3.500 3.499 3.452 3.534 0.034 9 0 "[ . 1]" 1
745 1 94 ARG HA 1 97 LEU H . . 5.000 3.434 2.969 3.813 . 0 0 "[ . 1]" 1
746 1 94 ARG HB2 1 95 HIS H . . 5.000 3.213 2.630 3.931 . 0 0 "[ . 1]" 1
747 1 94 ARG QG 1 95 HIS H . . 5.000 4.205 3.662 4.554 . 0 0 "[ . 1]" 1
748 1 94 ARG H 1 95 HIS H . . 2.800 2.550 2.450 2.660 . 0 0 "[ . 1]" 1
749 1 94 ARG HA 1 97 LEU HB2 . . 5.000 3.141 2.459 3.539 . 0 0 "[ . 1]" 1
750 1 94 ARG HA 1 97 LEU HG . . 5.000 2.859 2.418 3.518 . 0 0 "[ . 1]" 1
751 1 94 ARG HB2 1 116 THR H . . 5.900 6.014 5.122 6.659 0.759 4 4 "[ +- * *]" 1
752 1 94 ARG HA 1 97 LEU QD . . 5.000 2.299 1.987 2.820 . 0 0 "[ . 1]" 1
753 1 94 ARG HA 1 98 ILE MG . . 5.000 4.793 4.173 5.300 0.300 10 0 "[ . 1]" 1
754 1 94 ARG HB3 1 95 HIS HA . . 5.000 4.190 3.816 4.420 . 0 0 "[ . 1]" 1
755 1 95 HIS HA 1 96 GLN H . . 3.500 3.513 3.471 3.549 0.049 10 0 "[ . 1]" 1
756 1 95 HIS HA 1 98 ILE H . . 5.000 3.901 3.561 4.292 . 0 0 "[ . 1]" 1
757 1 95 HIS HB2 1 96 GLN H . . 5.000 3.616 2.752 4.109 . 0 0 "[ . 1]" 1
758 1 95 HIS H 1 96 GLN H . . 2.800 2.641 2.484 2.771 . 0 0 "[ . 1]" 1
759 1 95 HIS HA 1 98 ILE HB . . 5.500 5.785 5.263 6.465 0.965 10 3 "[ *- . +]" 1
760 1 95 HIS HA 1 98 ILE MG . . 5.000 4.764 4.177 5.349 0.349 10 0 "[ . 1]" 1
761 1 95 HIS HA 1 99 TYR H . . 5.000 4.038 3.648 4.424 . 0 0 "[ . 1]" 1
762 1 96 GLN HA 1 97 LEU H . . 3.500 3.506 3.481 3.540 0.040 7 0 "[ . 1]" 1
763 1 96 GLN HA 1 99 TYR H . . 5.000 3.637 3.430 4.071 . 0 0 "[ . 1]" 1
764 1 96 GLN HB2 1 97 LEU H . . 5.000 3.948 3.716 4.057 . 0 0 "[ . 1]" 1
765 1 96 GLN HB3 1 97 LEU H . . 5.000 2.758 2.545 2.897 . 0 0 "[ . 1]" 1
766 1 96 GLN QG 1 97 LEU H . . 5.000 3.768 3.506 4.057 . 0 0 "[ . 1]" 1
767 1 96 GLN QG 1 99 TYR H . . 5.400 5.234 5.013 5.473 0.073 2 0 "[ . 1]" 1
768 1 96 GLN H 1 97 LEU H . . 2.800 2.581 2.475 2.709 . 0 0 "[ . 1]" 1
769 1 96 GLN HA 1 99 TYR HA . . 5.000 3.915 3.705 4.508 . 0 0 "[ . 1]" 1
770 1 96 GLN HB3 1 97 LEU HA . . 5.000 4.160 3.921 4.283 . 0 0 "[ . 1]" 1
771 1 96 GLN QG 1 99 TYR HB3 . . 5.800 4.765 4.261 5.959 0.159 7 0 "[ . 1]" 1
772 1 97 LEU HA 1 98 ILE H . . 5.000 3.529 3.484 3.565 . 0 0 "[ . 1]" 1
773 1 97 LEU HB2 1 98 ILE H . . 5.000 2.690 2.468 3.006 . 0 0 "[ . 1]" 1
774 1 97 LEU H 1 98 ILE H . . 5.000 2.735 2.586 2.912 . 0 0 "[ . 1]" 1
775 1 97 LEU H 1 99 TYR H . . 5.000 4.010 3.851 4.122 . 0 0 "[ . 1]" 1
776 1 97 LEU QD 1 98 ILE H . . 5.000 4.111 4.000 4.250 . 0 0 "[ . 1]" 1
777 1 98 ILE HA 1 99 TYR H . . 5.000 3.473 3.426 3.512 . 0 0 "[ . 1]" 1
778 1 98 ILE HB 1 99 TYR H . . 5.000 3.888 3.727 4.017 . 0 0 "[ . 1]" 1
779 1 98 ILE MG 1 99 TYR H . . 5.000 4.043 3.971 4.119 . 0 0 "[ . 1]" 1
780 1 98 ILE H 1 99 TYR H . . 5.000 2.177 2.014 2.396 . 0 0 "[ . 1]" 1
781 1 98 ILE HA 1 100 GLY H . . 5.000 4.502 4.124 4.817 . 0 0 "[ . 1]" 1
782 1 98 ILE MG 1 100 GLY H . . 5.000 4.522 4.260 4.802 . 0 0 "[ . 1]" 1
783 1 99 TYR HA 1 100 GLY H . . 5.000 2.813 2.670 3.015 . 0 0 "[ . 1]" 1
784 1 99 TYR HB2 1 100 GLY H . . 5.000 4.465 4.406 4.618 . 0 0 "[ . 1]" 1
785 1 99 TYR HB3 1 100 GLY H . . 5.000 4.626 4.297 4.683 . 0 0 "[ . 1]" 1
786 1 99 TYR H 1 100 GLY H . . 5.000 2.980 2.878 3.129 . 0 0 "[ . 1]" 1
787 1 100 GLY HA3 1 101 LEU H . . 5.000 3.186 2.870 3.332 . 0 0 "[ . 1]" 1
788 1 100 GLY HA2 1 101 LEU H . . 5.000 3.331 3.192 3.534 . 0 0 "[ . 1]" 1
789 1 104 ASP HB2 1 105 GLU H . . 5.000 3.947 3.726 4.076 . 0 0 "[ . 1]" 1
790 1 104 ASP H 1 105 GLU H . . 2.800 2.498 2.398 2.653 . 0 0 "[ . 1]" 1
791 1 104 ASP HA 1 107 LYS HB2 . . 5.000 3.530 3.064 4.997 . 0 0 "[ . 1]" 1
792 1 104 ASP HA 1 107 LYS HG2 . . 5.400 5.022 3.321 5.860 0.460 7 0 "[ . 1]" 1
793 1 104 ASP HA 1 107 LYS HB3 . . 5.000 2.998 2.406 3.670 . 0 0 "[ . 1]" 1
794 1 104 ASP HA 1 107 LYS QD . . 5.000 3.634 3.075 4.210 . 0 0 "[ . 1]" 1
795 1 105 GLU HA 1 106 PHE H . . 3.500 3.499 3.473 3.524 0.024 10 0 "[ . 1]" 1
796 1 105 GLU H 1 106 PHE H . . 3.000 2.642 2.483 2.753 . 0 0 "[ . 1]" 1
797 1 105 GLU HA 1 108 ALA H . . 5.000 3.234 2.806 3.795 . 0 0 "[ . 1]" 1
798 1 105 GLU HA 1 108 ALA MB . . 5.000 2.688 2.013 3.634 . 0 0 "[ . 1]" 1
799 1 105 GLU HB3 1 106 PHE H . . 5.000 3.542 2.823 4.125 . 0 0 "[ . 1]" 1
800 1 105 GLU HB2 1 106 PHE H . . 5.000 4.010 3.856 4.186 . 0 0 "[ . 1]" 1
801 1 105 GLU QG 1 106 PHE H . . 5.000 2.679 1.964 3.981 . 0 0 "[ . 1]" 1
802 1 105 GLU H 1 110 LEU QD . . 6.000 5.750 4.435 6.490 0.490 5 0 "[ . 1]" 1
803 1 105 GLU HA 1 110 LEU QD . . 5.000 3.643 2.340 4.335 . 0 0 "[ . 1]" 1
804 1 105 GLU HB2 1 112 ALA MB . . 5.000 2.558 1.921 3.130 . 0 0 "[ . 1]" 1
805 1 105 GLU QG 1 106 PHE HB2 . . 5.900 3.780 3.073 5.179 . 0 0 "[ . 1]" 1
806 1 105 GLU QG 1 110 LEU QD . . 5.300 4.065 3.184 5.314 0.014 5 0 "[ . 1]" 1
807 1 106 PHE HA 1 107 LYS H . . 3.500 3.474 3.435 3.523 0.023 9 0 "[ . 1]" 1
808 1 106 PHE HA 1 109 GLY H . . 5.000 3.203 2.854 3.771 . 0 0 "[ . 1]" 1
809 1 106 PHE HB3 1 107 LYS H . . 5.000 2.949 2.619 3.812 . 0 0 "[ . 1]" 1
810 1 106 PHE H 1 107 LYS H . . 2.800 2.540 2.412 2.641 . 0 0 "[ . 1]" 1
811 1 106 PHE H 1 110 LEU QD . . 5.900 5.619 4.501 6.352 0.452 3 0 "[ . 1]" 1
812 1 107 LYS HA 1 108 ALA H . . 5.000 3.472 3.351 3.533 . 0 0 "[ . 1]" 1
813 1 107 LYS HB2 1 108 ALA H . . 5.000 4.073 3.908 4.403 . 0 0 "[ . 1]" 1
814 1 107 LYS HG2 1 108 ALA H . . 5.000 3.737 3.278 4.339 . 0 0 "[ . 1]" 1
815 1 107 LYS H 1 108 ALA H . . 5.000 2.486 2.317 2.690 . 0 0 "[ . 1]" 1
816 1 107 LYS HB3 1 108 ALA MB . . 5.800 4.118 3.743 5.018 . 0 0 "[ . 1]" 1
817 1 107 LYS HG3 1 108 ALA HA . . 5.000 5.017 3.539 5.612 0.612 10 1 "[ . +]" 1
818 1 108 ALA HA 1 109 GLY H . . 5.000 3.518 3.476 3.585 . 0 0 "[ . 1]" 1
819 1 108 ALA MB 1 109 GLY H . . 5.000 2.662 2.294 2.960 . 0 0 "[ . 1]" 1
820 1 108 ALA H 1 109 GLY H . . 5.200 2.403 1.991 2.753 . 0 0 "[ . 1]" 1
821 1 108 ALA MB 1 110 LEU H . . 5.000 2.673 2.467 3.156 . 0 0 "[ . 1]" 1
822 1 109 GLY HA2 1 110 LEU H . . 5.000 3.268 3.110 3.395 . 0 0 "[ . 1]" 1
823 1 109 GLY H 1 110 LEU H . . 5.000 2.332 2.188 2.546 . 0 0 "[ . 1]" 1
824 1 109 GLY HA2 1 110 LEU HA . . 5.000 4.491 4.417 4.571 . 0 0 "[ . 1]" 1
825 1 110 LEU HA 1 111 HIS H . . 5.000 2.677 2.300 3.483 . 0 0 "[ . 1]" 1
826 1 110 LEU QD 1 111 HIS H . . 5.000 3.301 2.845 3.861 . 0 0 "[ . 1]" 1
827 1 110 LEU HA 1 111 HIS HA . . 5.000 4.421 4.243 5.004 0.004 3 0 "[ . 1]" 1
828 1 110 LEU HB3 1 111 HIS H . . 5.000 2.988 2.029 3.841 . 0 0 "[ . 1]" 1
829 1 111 HIS HA 1 112 ALA H . . 5.000 2.435 2.274 2.720 . 0 0 "[ . 1]" 1
830 1 111 HIS HB2 1 112 ALA H . . 5.000 3.789 3.342 4.129 . 0 0 "[ . 1]" 1
831 1 111 HIS H 1 112 ALA H . . 5.000 4.469 4.126 4.622 . 0 0 "[ . 1]" 1
832 1 111 HIS H 1 112 ALA MB . . 5.700 5.200 4.447 5.456 . 0 0 "[ . 1]" 1
833 1 111 HIS HA 1 112 ALA MB . . 5.000 3.823 3.643 3.896 . 0 0 "[ . 1]" 1
834 1 111 HIS HB3 1 112 ALA H . . 5.000 3.010 1.745 3.787 . 0 0 "[ . 1]" 1
835 1 111 HIS HB3 1 112 ALA HA . . 5.000 4.490 4.066 4.761 . 0 0 "[ . 1]" 1
836 1 112 ALA HA 1 113 LEU H . . 5.000 2.318 2.180 2.412 . 0 0 "[ . 1]" 1
837 1 112 ALA MB 1 113 LEU H . . 5.000 2.549 2.412 2.867 . 0 0 "[ . 1]" 1
838 1 112 ALA H 1 113 LEU H . . 5.000 4.440 4.317 4.495 . 0 0 "[ . 1]" 1
839 1 112 ALA HA 1 113 LEU HG . . 5.000 4.497 3.697 5.636 0.636 3 2 "[ + .- 1]" 1
840 1 113 LEU HA 1 114 SER H . . 5.000 2.240 2.189 2.329 . 0 0 "[ . 1]" 1
841 1 113 LEU QB 1 114 SER H . . 5.000 2.858 2.622 3.007 . 0 0 "[ . 1]" 1
842 1 113 LEU HA 1 114 SER HB3 . . 5.000 4.625 4.388 5.630 0.630 9 1 "[ . +1]" 1
843 1 114 SER HA 1 115 MET H . . 5.000 2.145 2.113 2.173 . 0 0 "[ . 1]" 1
844 1 114 SER HB2 1 115 MET H . . 5.000 3.786 3.218 4.403 . 0 0 "[ . 1]" 1
845 1 114 SER HB3 1 115 MET H . . 5.000 4.139 3.147 4.351 . 0 0 "[ . 1]" 1
846 1 114 SER H 1 115 MET H . . 5.000 4.228 4.133 4.369 . 0 0 "[ . 1]" 1
847 1 115 MET HA 1 116 THR H . . 5.000 2.150 2.132 2.174 . 0 0 "[ . 1]" 1
848 1 115 MET HB2 1 116 THR H . . 5.000 3.988 3.054 4.342 . 0 0 "[ . 1]" 1
849 1 115 MET HA 1 116 THR MG . . 5.500 3.476 3.265 3.687 . 0 0 "[ . 1]" 1
850 1 115 MET HB3 1 116 THR H . . 5.000 3.677 3.403 4.241 . 0 0 "[ . 1]" 1
851 1 116 THR HA 1 117 THR H . . 5.000 2.129 2.092 2.157 . 0 0 "[ . 1]" 1
852 1 116 THR MG 1 117 THR H . . 5.000 4.183 3.928 4.342 . 0 0 "[ . 1]" 1
853 1 116 THR HB 1 117 THR H . . 5.000 3.816 3.198 4.271 . 0 0 "[ . 1]" 1
854 1 117 THR HA 1 118 LYS H . . 5.000 2.145 2.099 2.217 . 0 0 "[ . 1]" 1
855 1 117 THR MG 1 118 LYS H . . 5.000 4.057 3.843 4.185 . 0 0 "[ . 1]" 1
856 1 117 THR HB 1 118 LYS H . . 5.000 3.939 3.205 4.223 . 0 0 "[ . 1]" 1
857 1 118 LYS HA 1 119 THR H . . 5.000 2.245 2.172 2.375 . 0 0 "[ . 1]" 1
858 1 118 LYS QB 1 119 THR H . . 5.000 3.529 3.341 3.620 . 0 0 "[ . 1]" 1
859 1 118 LYS QG 1 119 THR H . . 5.000 2.466 1.744 3.277 . 0 0 "[ . 1]" 1
860 1 118 LYS HA 1 119 THR HG1 . . 5.000 4.712 3.910 5.338 0.338 9 0 "[ . 1]" 1
861 1 121 ALA HA 1 122 GLU H . . 5.000 3.301 3.146 3.424 . 0 0 "[ . 1]" 1
862 1 121 ALA MB 1 122 GLU H . . 5.000 3.136 2.924 3.385 . 0 0 "[ . 1]" 1
863 1 121 ALA H 1 122 GLU H . . 5.000 2.368 2.261 2.501 . 0 0 "[ . 1]" 1
864 1 121 ALA MB 1 122 GLU HA . . 5.000 4.122 4.072 4.246 . 0 0 "[ . 1]" 1
865 1 122 GLU HA 1 123 GLN H . . 5.000 2.186 2.146 2.219 . 0 0 "[ . 1]" 1
866 1 122 GLU HB2 1 123 GLN H . . 5.000 4.447 4.233 4.585 . 0 0 "[ . 1]" 1
867 1 122 GLU H 1 123 GLN H . . 5.000 4.111 3.742 4.481 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 41
_Distance_constraint_stats_list.Viol_count 213
_Distance_constraint_stats_list.Viol_total 836.534
_Distance_constraint_stats_list.Viol_max 1.599
_Distance_constraint_stats_list.Viol_rms 0.3077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2040
_Distance_constraint_stats_list.Viol_average_violations_only 0.3927
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 35 ALA 12.465 1.141 7 6 "[* **. +*-1]"
1 36 ILE 8.804 0.971 2 3 "[ +- . *]"
1 37 LYS 9.208 1.276 3 5 "[ *+ . *- *]"
1 39 LYS 12.465 1.141 7 6 "[* **. +*-1]"
1 40 VAL 8.804 0.971 2 3 "[ +- . *]"
1 41 GLU 9.208 1.276 3 5 "[ *+ . *- *]"
1 48 HIS 5.684 0.672 5 2 "[ +* 1]"
1 50 LYS 1.300 0.308 7 0 "[ . 1]"
1 52 ILE 2.175 0.326 7 0 "[ . 1]"
1 77 PHE 3.221 0.819 2 2 "[ +- . 1]"
1 78 ARG 2.175 0.326 7 0 "[ . 1]"
1 79 LEU 9.928 1.599 2 2 "[ + - 1]"
1 80 GLU 1.300 0.308 7 0 "[ . 1]"
1 81 VAL 2.196 0.508 8 1 "[ . + 1]"
1 82 THR 5.684 0.672 5 2 "[ +* 1]"
1 91 LEU 5.917 0.826 5 2 "[ -+ 1]"
1 92 VAL 4.955 0.781 2 3 "[ + -* 1]"
1 93 LYS 7.481 1.142 1 2 "[+ .- 1]"
1 94 ARG 8.023 0.887 10 5 "[- *. * *+]"
1 95 HIS 5.917 0.826 5 2 "[ -+ 1]"
1 96 GLN 4.955 0.781 2 3 "[ + -* 1]"
1 97 LEU 7.481 1.142 1 2 "[+ .- 1]"
1 98 ILE 8.023 0.887 10 5 "[- *. * *+]"
1 104 ASP 2.297 0.552 6 1 "[ .+ 1]"
1 105 GLU 0.000 0.000 . 0 "[ . 1]"
1 108 ALA 2.297 0.552 6 1 "[ .+ 1]"
1 109 GLY 0.000 0.000 . 0 "[ . 1]"
1 113 LEU 7.660 1.227 5 3 "[ *- + 1]"
1 115 MET 7.319 1.599 2 3 "[ + * - 1]"
1 117 THR 0.366 0.279 5 0 "[ . 1]"
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 35 ALA O 1 39 LYS H . . 2.300 2.897 2.077 3.441 1.141 7 6 "[* **. +*-1]" 2
2 1 35 ALA O 1 39 LYS N . . 3.200 3.802 3.055 4.275 1.075 3 6 "[* +*. **-1]" 2
3 1 36 ILE O 1 40 VAL H . . 2.100 2.567 2.124 3.071 0.971 2 3 "[ +- . *]" 2
4 1 36 ILE O 1 40 VAL N . . 3.000 3.413 3.020 3.823 0.823 10 2 "[ - . +]" 2
5 1 37 LYS O 1 41 GLU H . . 2.400 2.882 2.324 3.676 1.276 3 5 "[ *+ . -* *]" 2
6 1 37 LYS O 1 41 GLU N . . 3.300 3.724 3.221 4.360 1.060 3 5 "[ *+ . *- *]" 2
7 1 91 LEU O 1 95 HIS H . . 2.400 2.662 2.086 3.226 0.826 5 2 "[ -+ 1]" 2
8 1 91 LEU O 1 95 HIS N . . 3.300 3.568 3.046 4.088 0.788 5 1 "[ + 1]" 2
9 1 92 VAL O 1 96 GLN H . . 2.100 2.327 1.955 2.881 0.781 2 3 "[ + *- 1]" 2
10 1 92 VAL O 1 96 GLN N . . 3.000 3.185 2.778 3.746 0.746 2 2 "[ + - 1]" 2
11 1 93 LYS O 1 97 LEU H . . 2.120 2.484 1.866 3.262 1.142 1 2 "[+ .- 1]" 2
12 1 93 LYS O 1 97 LEU N . . 3.000 3.334 2.776 4.068 1.068 1 2 "[+ .- 1]" 2
13 1 94 ARG O 1 98 ILE H . . 2.300 2.734 2.041 3.187 0.887 10 5 "[* *. - *+]" 2
14 1 94 ARG O 1 98 ILE N . . 3.300 3.612 2.995 4.104 0.804 10 2 "[- . +]" 2
15 1 104 ASP O 1 108 ALA H . . 2.800 2.483 1.967 3.352 0.552 6 1 "[ .+ 1]" 2
16 1 104 ASP O 1 108 ALA N . . 3.600 3.260 2.809 4.080 0.480 6 0 "[ . 1]" 2
17 1 105 GLU O 1 109 GLY H . . 2.400 1.998 1.748 2.300 . 0 0 "[ . 1]" 2
18 1 105 GLU O 1 109 GLY N . . 3.300 2.881 2.709 3.222 . 0 0 "[ . 1]" 2
19 1 48 HIS H 1 82 THR O . . 2.000 2.138 1.849 2.672 0.672 5 1 "[ + 1]" 2
20 1 48 HIS N 1 82 THR O . . 2.800 2.958 2.672 3.383 0.583 6 2 "[ -+ 1]" 2
21 1 48 HIS O 1 82 THR H . . 2.000 1.915 1.699 2.293 0.293 6 0 "[ . 1]" 2
22 1 48 HIS O 1 82 THR N . . 2.700 2.854 2.657 3.177 0.477 6 0 "[ . 1]" 2
23 1 50 LYS H 1 80 GLU H . . 3.200 3.160 2.916 3.400 0.200 3 0 "[ . 1]" 2
24 1 50 LYS N 1 80 GLU N . . 4.600 4.468 4.274 4.627 0.027 3 0 "[ . 1]" 2
25 1 50 LYS O 1 80 GLU O . . 3.400 3.442 3.176 3.708 0.308 7 0 "[ . 1]" 2
26 1 52 ILE H 1 78 ARG O . . 2.200 2.284 1.966 2.526 0.326 7 0 "[ . 1]" 2
27 1 52 ILE N 1 78 ARG O . . 3.200 3.225 2.919 3.412 0.212 7 0 "[ . 1]" 2
28 1 52 ILE O 1 78 ARG H . . 2.400 2.214 2.001 2.419 0.019 7 0 "[ . 1]" 2
29 1 52 ILE O 1 78 ARG N . . 3.200 3.115 2.927 3.294 0.094 7 0 "[ . 1]" 2
30 1 77 PHE O 1 113 LEU H . . 2.500 2.603 2.162 3.319 0.819 2 2 "[ +- . 1]" 2
31 1 77 PHE O 1 113 LEU N . . 3.400 3.474 3.055 4.137 0.737 2 1 "[ + . 1]" 2
32 1 79 LEU H 1 113 LEU O . . 2.400 2.489 1.936 3.627 1.227 5 2 "[ - + 1]" 2
33 1 79 LEU N 1 113 LEU O . . 3.300 3.335 2.893 4.165 0.865 5 2 "[ - + 1]" 2
34 1 79 LEU O 1 115 MET H . . 2.200 2.473 1.858 3.799 1.599 2 2 "[ + - 1]" 2
35 1 79 LEU O 1 115 MET N . . 3.100 3.197 2.736 4.345 1.245 2 2 "[ + - 1]" 2
36 1 81 VAL H 1 115 MET O . . 2.500 2.335 1.865 2.922 0.422 8 0 "[ . 1]" 2
37 1 81 VAL N 1 115 MET O . . 3.200 3.152 2.800 3.708 0.508 8 1 "[ . + 1]" 2
38 1 81 VAL O 1 117 THR H . . 2.000 1.882 1.699 2.279 0.279 5 0 "[ . 1]" 2
39 1 81 VAL O 1 117 THR N . . 2.900 2.767 2.652 2.986 0.086 5 0 "[ . 1]" 2
40 1 82 THR H 1 117 THR O . . 5.200 4.770 4.706 4.851 . 0 0 "[ . 1]" 2
41 1 82 THR N 1 117 THR O . . 4.300 3.895 3.819 4.002 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 8:53:33 PM GMT (wattos1)