NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
391990 |
1poq   |
5836 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1poq
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 676
_Distance_constraint_stats_list.Viol_count 13322
_Distance_constraint_stats_list.Viol_total 609834.875
_Distance_constraint_stats_list.Viol_max 4.677
_Distance_constraint_stats_list.Viol_rms 1.0598
_Distance_constraint_stats_list.Viol_average_all_restraints 2.2553
_Distance_constraint_stats_list.Viol_average_violations_only 2.2888
_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 ILE 170.367 4.254 16 20 [***************+*-**]
1 3 PRO 289.205 4.601 16 20 [***************+*-**]
1 4 ASN 280.727 4.601 16 20 [******-********+****]
1 5 ILE 398.676 4.446 17 20 [************-***+***]
1 6 ALA 482.127 3.910 8 20 [***-***+************]
1 7 THR 383.944 3.794 2 20 [*+*********-********]
1 8 TYR 1293.225 4.370 3 20 [**+*************-***]
1 9 THR 730.511 4.176 8 20 [*******+****-*******]
1 10 GLY 621.738 3.769 1 20 [+-******************]
1 11 THR 758.681 3.951 6 20 [***-*+**************]
1 12 ILE 1472.297 4.133 20 20 [**-****************+]
1 13 GLN 440.996 3.898 19 20 [***********-******+*]
1 14 GLY 487.708 4.095 20 20 [************-******+]
1 15 LYS 385.109 3.827 3 20 [**+****************-]
1 16 GLY 610.453 3.808 20 20 [**-****************+]
1 17 GLU 589.752 4.277 4 20 [***+***********-****]
1 18 VAL 485.255 3.958 4 20 [***+************-***]
1 19 CYS 444.616 4.132 20 20 [*****-*************+]
1 20 ILE 553.055 4.232 20 20 [****************-**+]
1 32 GLU 162.474 4.322 10 20 [***-*****+**********]
1 33 LEU 700.811 4.511 3 20 [**+*-***************]
1 34 TYR 873.706 4.099 3 20 [**+*********-*******]
1 35 ALA 1137.335 4.315 19 20 [***-**************+*]
1 36 VAL 1006.646 4.677 15 20 [***********-**+*****]
1 37 LEU 850.577 4.496 18 20 [*****************+**]
1 38 HIS 1035.404 4.228 3 20 [**+*********-*******]
1 39 SER 708.204 4.028 3 20 [-*+*****************]
1 40 THR 344.864 3.773 3 20 [**+******-**********]
1 41 ASN 538.662 4.294 1 20 [+*************-*****]
1 42 VAL 480.430 4.294 1 20 [+*******************]
1 43 ASN 518.609 4.198 1 20 [+*************-*****]
1 44 ALA 575.510 4.237 12 20 [-**********+********]
1 45 ASP 484.340 4.237 12 20 [***********+*******-]
1 46 MET 1223.702 4.117 12 20 [*****-*****+********]
1 47 THR 735.920 3.944 4 20 [***+****************]
1 48 LEU 930.788 4.239 8 20 [*******+********-***]
1 49 ILE 908.757 4.077 12 20 [***********+**-*****]
1 50 LEU 1504.117 4.511 3 20 [**+***-*************]
1 51 LEU 1154.280 4.487 11 20 [********-*+*********]
1 52 ARG 468.369 4.197 20 20 [********-**********+]
1 53 ASN 363.496 3.983 15 20 [*************-+*****]
1 54 VAL 97.187 3.235 13 20 [************+-******]
1 56 GLY 148.498 3.801 9 20 [********+***-*******]
1 57 ASN 262.916 4.131 9 20 [*******-+***********]
1 58 GLY 498.940 4.131 9 20 [********+*-*********]
1 59 TRP 1549.478 4.527 2 20 [*+******-***********]
1 60 GLY 320.496 4.147 3 20 [**+****-************]
1 61 GLU 164.614 3.800 17 20 [***-************+***]
1 62 ILE 310.258 4.333 12 20 [-**********+********]
1 63 LYS 1023.108 4.333 12 20 [******-****+********]
1 64 ARG 959.800 3.944 4 20 [***+-***************]
1 65 ASN 1110.629 4.417 7 20 [******+*********-***]
1 66 ASP 613.929 4.226 14 20 [*-***********+******]
1 67 ILE 698.735 4.226 14 20 [**********-**+******]
1 68 ASP 389.674 3.937 20 20 [******************-+]
1 69 LYS 998.428 4.417 7 20 [******+***-*********]
1 70 PRO 536.387 4.199 20 20 [**-****************+]
1 71 LEU 545.577 4.100 17 20 [***********-****+***]
1 72 LYS 830.026 4.347 20 20 [*************-*****+]
1 73 TYR 388.416 4.393 5 20 [***-+***************]
1 76 TYR 74.010 3.966 4 20 [*-*+****************]
1 77 TYR 175.015 4.463 18 20 [********-********+**]
1 78 THR 124.740 4.463 18 20 [**********-******+**]
1 83 TRP 695.573 4.128 7 20 [******+*-***********]
1 84 ILE 1306.000 4.487 11 20 [**********+******-**]
1 85 TRP 1607.053 4.312 8 20 [*******+****-*******]
1 86 LYS 789.684 4.037 18 20 [*********-*******+**]
1 87 ILE 1305.798 4.190 18 20 [*****************+*-]
1 88 LYS 776.484 4.277 4 20 [***+**************-*]
1 89 ASN 1354.681 4.117 12 20 [**-********+********]
1 90 ASN 465.880 4.418 16 20 [**********-****+****]
1 91 SER 600.512 4.418 16 20 [*****-*********+****]
1 92 SER 427.443 4.351 13 20 [************+*******]
1 93 GLU 367.657 3.960 12 20 [***********+*******-]
1 94 THR 254.499 3.937 10 20 [*********+*********-]
1 95 SER 490.348 4.044 11 20 [**********+****-****]
1 96 ASN 788.420 4.028 11 20 [**********+*****-***]
1 97 TYR 2574.226 4.496 18 20 [****************-+**]
1 98 SER 1016.040 4.228 3 20 [**+***************-*]
1 99 LEU 1646.966 4.315 19 20 [******************+-]
1 100 ASP 643.955 4.677 15 20 [***-**********+*****]
1 101 ALA 856.594 4.074 13 20 [************+*******]
1 102 THR 131.624 3.882 20 20 [**-****************+]
1 103 VAL 261.980 4.266 15 20 [**************+*****]
1 104 HIS 262.523 4.424 14 20 [*************+***-**]
1 105 ASP 253.593 4.439 6 20 [*****+********-*****]
1 106 ASP 239.831 4.439 6 20 [*****+******-*******]
1 107 LYS 238.522 3.857 5 20 [****+*****-*********]
1 108 GLU 62.415 3.752 10 20 [******-**+**********]
1 111 ASP 120.256 3.993 11 20 [**********+*****-***]
1 112 VAL 354.012 4.370 3 20 [**+******-**********]
1 114 THR 97.941 4.194 9 20 [********+***********]
1 115 LYS 303.463 4.436 11 20 [**********+*******-*]
1 116 CYS 173.691 4.436 11 20 [**********+********-]
1 118 VAL 387.150 4.527 2 20 [*+*****-************]
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 ILE HA 1 3 PRO QD 6.000 5.900 6.100 1.903 1.646 2.414 4.254 16 20 [**************-+****] 1
2 1 2 ILE MD 1 3 PRO QD 6.000 5.900 6.100 4.406 2.122 5.194 3.778 7 20 [******+**********-**] 1
3 1 2 ILE MG 1 3 PRO QD 6.000 5.900 6.100 2.873 2.097 3.859 3.803 12 20 [-**********+********] 1
4 1 3 PRO HA 1 4 ASN H 6.000 5.900 6.100 3.325 2.430 3.596 3.470 19 20 [*********-********+*] 1
5 1 3 PRO QB 1 4 ASN H 6.000 5.900 6.100 2.534 1.299 3.989 4.601 16 20 [***************+-***] 1
6 1 4 ASN H 1 5 ILE H 6.000 5.900 6.100 3.550 1.897 4.480 4.003 10 20 [******-**+**********] 1
7 1 4 ASN HA 1 5 ILE H 6.000 5.900 6.100 2.667 2.094 3.558 3.806 11 20 [-*********+*********] 1
8 1 4 ASN QB 1 5 ILE H 6.000 5.900 6.100 3.388 1.454 4.027 4.446 17 20 [*****-**********+***] 1
9 1 5 ILE H 1 6 ALA H 6.000 5.900 6.100 4.298 3.850 4.509 2.050 10 20 [*********+******-***] 1
10 1 5 ILE HA 1 6 ALA H 6.000 5.900 6.100 2.175 2.045 2.352 3.855 7 20 [******+***-*********] 1
11 1 5 ILE HA 1 101 ALA H 6.000 5.900 6.100 5.083 4.028 6.265 1.872 7 14 "[** **+ ** -*** ***]" 1
12 1 5 ILE HB 1 6 ALA H 6.000 5.900 6.100 3.599 2.546 4.305 3.354 6 20 [*****+***-**********] 1
13 1 5 ILE MG 1 6 ALA H 6.000 5.900 6.100 3.647 2.932 4.254 2.968 11 20 [*********-+*********] 1
14 1 5 ILE MG 1 101 ALA H 6.000 5.900 6.100 4.818 3.740 6.088 2.160 2 14 "[*+ ** 1*********-]" 1
15 1 6 ALA H 1 7 THR H 6.000 5.900 6.100 3.988 3.153 4.526 2.747 8 20 [*******+********-***] 1
16 1 6 ALA H 1 100 ASP HA 6.000 5.900 6.100 4.952 3.825 6.066 2.075 19 14 "[** -*** *1* **.* *+*]" 1
17 1 6 ALA H 1 101 ALA H 6.000 5.900 6.100 3.707 2.628 5.037 3.272 7 20 [******+*********-***] 1
18 1 6 ALA HA 1 7 THR H 6.000 5.900 6.100 2.272 2.106 2.592 3.794 2 20 [*+**************-***] 1
19 1 6 ALA HA 1 7 THR HB 6.000 5.900 6.100 5.112 4.776 5.871 1.124 18 18 "[****** -*1*******+**]" 1
20 1 6 ALA MB 1 7 THR H 6.000 5.900 6.100 3.376 2.261 3.694 3.639 15 20 [*******-******+*****] 1
21 1 6 ALA MB 1 101 ALA H 6.000 5.900 6.100 3.681 1.990 5.257 3.910 8 20 [*******+******-*****] 1
22 1 7 THR H 1 8 TYR H 6.000 5.900 6.100 4.229 4.003 4.367 1.897 8 20 [*******+****-*******] 1
23 1 7 THR HA 1 8 TYR H 6.000 5.900 6.100 2.161 2.107 2.221 3.793 12 20 [-**********+********] 1
24 1 7 THR HA 1 8 TYR QD 6.000 5.900 6.100 4.317 3.434 4.840 2.466 10 20 [-********+**********] 1
25 1 7 THR HA 1 8 TYR QE 6.000 5.900 6.100 5.542 5.030 6.040 0.870 14 6 "[ **. * * - +. 2]" 1
26 1 7 THR HA 1 99 LEU H 6.000 5.900 6.100 4.640 4.133 5.570 1.767 19 19 "[******- **********+*]" 1
27 1 7 THR HB 1 8 TYR H 6.000 5.900 6.100 4.173 3.471 4.426 2.429 10 20 [*********+*******-**] 1
28 1 8 TYR H 1 8 TYR QE 6.000 5.900 6.100 4.666 4.093 5.302 1.807 10 20 [******-**+**********] 1
29 1 8 TYR H 1 9 THR H 6.000 5.900 6.100 4.047 3.334 4.554 2.566 8 20 [*******+******-*****] 1
30 1 8 TYR H 1 98 SER HA 6.000 5.900 6.100 4.675 4.146 5.023 1.754 16 20 [***************+*-**] 1
31 1 8 TYR H 1 99 LEU H 6.000 5.900 6.100 3.283 2.914 3.595 2.986 16 20 [*******-*******+****] 1
32 1 8 TYR H 1 99 LEU QB 6.000 5.900 6.100 3.029 2.442 4.092 3.458 12 20 [*******-***+********] 1
33 1 8 TYR H 1 99 LEU QD 6.000 5.900 6.100 4.072 3.312 4.550 2.588 10 20 [*********+***-******] 1
34 1 8 TYR HA 1 8 TYR QE 6.000 5.900 6.100 4.564 4.152 5.661 1.748 2 19 [*+*-*****1**********] 1
35 1 8 TYR HA 1 9 THR H 6.000 5.900 6.100 2.256 2.119 2.399 3.781 20 20 [**************-****+] 1
36 1 8 TYR QB 1 9 THR H 6.000 5.900 6.100 3.552 2.340 3.856 3.560 15 20 [*-************+*****] 1
37 1 8 TYR QB 1 20 ILE MD 6.000 5.900 6.100 3.630 1.872 5.359 4.028 18 20 [**************-**+**] 1
38 1 8 TYR QB 1 97 TYR QD 6.000 5.900 6.100 3.699 2.721 4.870 3.179 8 20 [*******+*-**********] 1
39 1 8 TYR QB 1 97 TYR QE 6.000 5.900 6.100 2.623 1.821 3.508 4.079 17 20 [*********-******+***] 1
40 1 8 TYR QB 1 98 SER HA 6.000 5.900 6.100 4.657 4.165 5.966 1.735 16 19 [***-*****1*****+****] 1
41 1 8 TYR QB 1 99 LEU H 6.000 5.900 6.100 3.081 2.655 5.185 3.245 13 20 [*********-**+*******] 1
42 1 8 TYR QD 1 20 ILE MG 6.000 5.900 6.100 3.962 2.637 5.839 3.263 19 18 "[***** ***- *******+*]" 1
43 1 8 TYR QD 1 97 TYR QD 6.000 5.900 6.100 5.297 3.812 6.032 2.088 10 11 "[ **. ** + -**. ***2]" 1
44 1 8 TYR QD 1 97 TYR QE 6.000 5.900 6.100 4.238 3.103 4.953 2.797 10 20 [*********+****-*****] 1
45 1 8 TYR QD 1 99 LEU H 6.000 5.900 6.100 4.573 3.288 4.906 2.612 10 20 [******-**+**********] 1
46 1 8 TYR QD 1 99 LEU HA 6.000 5.900 6.100 5.179 4.467 6.116 1.433 4 16 "[* *+** ***-***** * *]" 1
47 1 8 TYR QD 1 99 LEU QB 6.000 5.900 6.100 2.619 1.630 3.569 4.270 4 20 [***+***-************] 1
48 1 8 TYR QD 1 99 LEU QD 6.000 5.900 6.100 2.486 1.668 3.563 4.232 18 20 [*************-***+**] 1
49 1 8 TYR QD 1 101 ALA H 6.000 5.900 6.100 4.488 3.320 5.786 2.580 20 16 "[* -*** **1****.****+]" 1
50 1 8 TYR QD 1 101 ALA MB 6.000 5.900 6.100 3.890 2.554 5.722 3.346 5 17 "[****+* **1****.*-***]" 1
51 1 8 TYR QD 1 112 VAL QG 6.000 5.900 6.100 3.959 2.396 5.252 3.504 6 20 [*****+********-*****] 1
52 1 8 TYR QE 1 20 ILE MG 6.000 5.900 6.100 3.946 2.317 5.890 3.583 7 17 "[****.-+*** ********2]" 1
53 1 8 TYR QE 1 99 LEU QD 6.000 5.900 6.100 3.511 1.887 4.497 4.013 10 20 [*********+***-******] 1
54 1 8 TYR QE 1 112 VAL QG 6.000 5.900 6.100 3.779 1.530 5.651 4.370 3 19 [**+******1********-*] 1
55 1 9 THR H 1 10 GLY H 6.000 5.900 6.100 3.922 2.482 4.515 3.418 7 20 [******+***-*********] 1
56 1 9 THR HA 1 10 GLY H 6.000 5.900 6.100 2.313 2.131 2.721 3.769 1 20 [+*****-*************] 1
57 1 9 THR HA 1 97 TYR QD 6.000 5.900 6.100 3.899 3.245 4.683 2.655 6 20 [**-**+**************] 1
58 1 9 THR HA 1 97 TYR QE 6.000 5.900 6.100 4.522 4.055 4.990 1.845 8 20 [****-**+************] 1
59 1 9 THR HA 1 98 SER HA 6.000 5.900 6.100 2.299 1.789 2.790 4.111 16 20 [***************+**-*] 1
60 1 9 THR HA 1 98 SER QB 6.000 5.900 6.100 3.685 2.762 4.388 3.138 16 20 [***************+**-*] 1
61 1 9 THR HA 1 99 LEU H 6.000 5.900 6.100 3.408 3.032 3.674 2.868 4 20 [***+********-*******] 1
62 1 9 THR HB 1 10 GLY H 6.000 5.900 6.100 4.177 3.700 4.605 2.200 20 20 [************-******+] 1
63 1 9 THR HB 1 98 SER HA 6.000 5.900 6.100 4.526 3.092 5.173 2.808 9 20 [********+*****-*****] 1
64 1 9 THR HB 1 99 LEU H 6.000 5.900 6.100 5.847 4.762 6.138 1.138 7 3 "[ . + *1 - . 2]" 1
65 1 9 THR MG 1 10 GLY H 6.000 5.900 6.100 3.570 2.606 4.271 3.294 15 20 [********-*****+*****] 1
66 1 9 THR MG 1 96 ASN QD 6.000 5.900 6.100 3.061 1.872 4.486 4.028 11 20 [*******-**+*********] 1
67 1 9 THR MG 1 98 SER HA 6.000 5.900 6.100 2.906 1.724 4.623 4.176 8 20 [*******+****-*******] 1
68 1 10 GLY H 1 11 THR H 6.000 5.900 6.100 4.434 4.287 4.575 1.613 10 20 [****-****+**********] 1
69 1 10 GLY H 1 96 ASN HA 6.000 5.900 6.100 4.850 4.080 5.859 1.820 12 17 "[*-**.* ****+*** ****]" 1
70 1 10 GLY H 1 97 TYR H 6.000 5.900 6.100 3.398 2.777 4.452 3.123 12 20 [***********+***-****] 1
71 1 10 GLY H 1 97 TYR QD 6.000 5.900 6.100 3.364 2.833 3.827 3.067 10 20 [**-******+**********] 1
72 1 10 GLY H 1 97 TYR QE 6.000 5.900 6.100 3.326 2.690 4.029 3.210 14 20 [*************+-*****] 1
73 1 10 GLY H 1 98 SER HA 6.000 5.900 6.100 3.948 3.334 4.590 2.566 3 20 [**+***************-*] 1
74 1 10 GLY H 1 99 LEU H 6.000 5.900 6.100 4.407 3.798 4.992 2.102 4 20 [***+***-************] 1
75 1 10 GLY QA 1 11 THR H 6.000 5.900 6.100 2.244 2.157 2.299 3.743 20 20 [*****-*************+] 1
76 1 10 GLY QA 1 97 TYR QD 6.000 5.900 6.100 4.270 3.977 4.545 1.923 16 20 [******-********+****] 1
77 1 10 GLY QA 1 97 TYR QE 6.000 5.900 6.100 3.291 2.907 3.561 2.993 20 20 [******-************+] 1
78 1 11 THR H 1 12 ILE H 6.000 5.900 6.100 4.341 3.932 4.533 1.968 20 20 [*****-*************+] 1
79 1 11 THR H 1 96 ASN HA 6.000 5.900 6.100 4.664 4.347 4.894 1.553 6 20 [-****+**************] 1
80 1 11 THR H 1 97 TYR QD 6.000 5.900 6.100 5.170 4.277 5.611 1.623 3 14 "[**+-. ********* * 2]" 1
81 1 11 THR H 1 97 TYR QE 6.000 5.900 6.100 4.200 3.149 5.256 2.751 3 20 [**+************-****] 1
82 1 11 THR HA 1 12 ILE H 6.000 5.900 6.100 2.171 2.117 2.286 3.783 18 20 [*****************+*-] 1
83 1 11 THR HA 1 96 ASN HA 6.000 5.900 6.100 2.171 1.949 2.606 3.951 6 20 [*****+**-***********] 1
84 1 11 THR HA 1 96 ASN QB 6.000 5.900 6.100 3.658 2.393 4.101 3.507 16 20 [***********-***+****] 1
85 1 11 THR HA 1 97 TYR H 6.000 5.900 6.100 3.243 2.835 3.800 3.065 3 20 [**+****************-] 1
86 1 11 THR HA 1 97 TYR QD 6.000 5.900 6.100 3.843 2.715 4.779 3.185 3 20 [**+************-****] 1
87 1 11 THR HA 1 97 TYR QE 6.000 5.900 6.100 4.149 3.484 5.277 2.416 3 20 [**+************-****] 1
88 1 11 THR HB 1 12 ILE H 6.000 5.900 6.100 3.688 3.148 4.263 2.752 10 20 [*********+*********-] 1
89 1 11 THR HB 1 94 THR MG 6.000 5.900 6.100 2.999 1.963 5.678 3.937 10 18 "[*********+*****-* *2]" 1
90 1 11 THR HB 1 96 ASN HA 6.000 5.900 6.100 4.735 4.130 5.333 1.770 10 20 [********-+**********] 1
91 1 11 THR MG 1 96 ASN HA 6.000 5.900 6.100 2.560 2.021 3.142 3.879 5 20 [****+***-***********] 1
92 1 11 THR MG 1 96 ASN QD 6.000 5.900 6.100 4.098 2.922 4.852 2.978 8 20 [*******+****-*******] 1
93 1 12 ILE H 1 13 GLN H 6.000 5.900 6.100 4.538 4.387 4.662 1.513 16 20 [***************+***-] 1
94 1 12 ILE H 1 46 MET ME 6.000 5.900 6.100 4.759 4.017 5.975 1.883 14 18 "[**-** *******+* ****]" 1
95 1 12 ILE H 1 95 SER H 6.000 5.900 6.100 3.487 3.024 4.489 2.876 6 20 [*****+*************-] 1
96 1 12 ILE H 1 97 TYR QD 6.000 5.900 6.100 3.073 2.325 5.052 3.575 1 20 [+**************-****] 1
97 1 12 ILE H 1 97 TYR QE 6.000 5.900 6.100 3.536 2.666 5.330 3.234 12 20 [***********+***-****] 1
98 1 12 ILE HA 1 13 GLN H 6.000 5.900 6.100 2.278 2.156 2.401 3.744 1 20 [+******************-] 1
99 1 12 ILE HA 1 97 TYR QD 6.000 5.900 6.100 4.395 3.573 5.841 2.327 14 19 "[*************+* **-*]" 1
100 1 12 ILE HA 1 97 TYR QE 6.000 5.900 6.100 3.323 2.594 5.091 3.306 14 20 [*************+*-****] 1
101 1 12 ILE HB 1 97 TYR QD 6.000 5.900 6.100 2.603 1.861 3.881 4.039 4 20 [***+***********-****] 1
102 1 12 ILE HB 1 97 TYR QE 6.000 5.900 6.100 2.521 1.959 3.502 3.941 6 20 [*-***+**************] 1
103 1 12 ILE MD 1 13 GLN H 6.000 5.900 6.100 3.216 2.080 3.908 3.820 17 20 [**************-*+***] 1
104 1 12 ILE MD 1 16 GLY H 6.000 5.900 6.100 3.674 2.750 4.910 3.150 18 20 [***************-*+**] 1
105 1 12 ILE MD 1 17 GLU H 6.000 5.900 6.100 3.825 1.996 4.994 3.904 16 20 [********-******+****] 1
106 1 12 ILE MD 1 17 GLU HA 6.000 5.900 6.100 3.083 2.348 4.344 3.552 10 20 [*********+*****-****] 1
107 1 12 ILE MD 1 88 LYS HA 6.000 5.900 6.100 3.689 2.524 5.674 3.376 18 19 "[**-************ *+**]" 1
108 1 12 ILE MD 1 89 ASN QB 6.000 5.900 6.100 2.760 1.926 4.621 3.974 6 20 [**-**+**************] 1
109 1 12 ILE MD 1 89 ASN QD 6.000 5.900 6.100 3.846 2.614 4.924 3.286 17 20 [***************-+***] 1
110 1 12 ILE QG 1 89 ASN QB 6.000 5.900 6.100 2.999 1.835 4.607 4.065 14 20 [*************+**-***] 1
111 1 12 ILE QG 1 89 ASN QD 6.000 5.900 6.100 3.400 2.586 4.679 3.314 5 20 [****+*****-*********] 1
112 1 12 ILE QG 1 97 TYR QD 6.000 5.900 6.100 4.339 3.010 4.876 2.890 11 20 [*-********+*********] 1
113 1 12 ILE QG 1 97 TYR QE 6.000 5.900 6.100 4.014 2.868 5.245 3.032 4 20 [***+***************-] 1
114 1 12 ILE MG 1 46 MET ME 6.000 5.900 6.100 2.898 1.894 4.087 4.006 9 20 [*****-**+***********] 1
115 1 12 ILE MG 1 89 ASN QB 6.000 5.900 6.100 2.419 1.996 3.132 3.904 8 20 [*******+***********-] 1
116 1 12 ILE MG 1 89 ASN QD 6.000 5.900 6.100 2.530 2.117 3.754 3.783 6 20 [*****+*************-] 1
117 1 12 ILE MG 1 97 TYR QD 6.000 5.900 6.100 2.477 1.767 3.377 4.133 20 20 [*-*****************+] 1
118 1 12 ILE MG 1 97 TYR QE 6.000 5.900 6.100 3.606 2.810 4.679 3.090 18 20 [*-***************+**] 1
119 1 13 GLN H 1 14 GLY H 6.000 5.900 6.100 4.395 2.914 4.635 2.986 5 20 [**-*+***************] 1
120 1 13 GLN H 1 16 GLY QA 6.000 5.900 6.100 4.190 3.319 5.066 2.581 20 20 [***********-*******+] 1
121 1 13 GLN HA 1 14 GLY H 6.000 5.900 6.100 2.412 2.210 3.562 3.690 12 20 [****-******+********] 1
122 1 13 GLN QB 1 14 GLY H 6.000 5.900 6.100 2.841 2.179 3.863 3.721 5 20 [-***+***************] 1
123 1 13 GLN QB 1 16 GLY QA 6.000 5.900 6.100 3.370 2.325 4.526 3.575 7 20 [******+**********-**] 1
124 1 13 GLN QG 1 14 GLY H 6.000 5.900 6.100 3.809 2.002 4.664 3.898 19 20 [***-**************+*] 1
125 1 14 GLY H 1 89 ASN QD 6.000 5.900 6.100 3.977 2.329 4.788 3.571 20 20 [***********-*******+] 1
126 1 14 GLY QA 1 15 LYS H 6.000 5.900 6.100 2.131 2.073 2.758 3.827 3 20 [**+***-*************] 1
127 1 14 GLY QA 1 16 GLY H 6.000 5.900 6.100 3.829 3.406 4.379 2.494 6 20 [*****+***-**********] 1
128 1 14 GLY QA 1 89 ASN QD 6.000 5.900 6.100 2.332 1.805 3.177 4.095 20 20 [-******************+] 1
129 1 14 GLY QA 1 92 SER HA 6.000 5.900 6.100 2.988 1.915 4.943 3.985 6 20 [*****+******-*******] 1
130 1 15 LYS H 1 15 LYS QD 6.000 5.900 6.100 3.453 2.756 4.265 3.144 1 20 [+************-******] 1
131 1 15 LYS H 1 16 GLY H 6.000 5.900 6.100 2.925 2.640 3.511 3.260 13 20 [-***********+*******] 1
132 1 15 LYS H 1 89 ASN QB 6.000 5.900 6.100 3.909 2.997 4.747 2.903 6 20 [*****+********-*****] 1
133 1 15 LYS H 1 89 ASN QD 6.000 5.900 6.100 3.080 2.192 4.761 3.708 11 20 [**********+********-] 1
134 1 15 LYS HA 1 16 GLY H 6.000 5.900 6.100 2.646 2.438 2.958 3.462 17 20 [*****-**********+***] 1
135 1 15 LYS QB 1 16 GLY H 6.000 5.900 6.100 3.901 3.762 3.989 2.138 8 20 [***-***+************] 1
136 1 16 GLY H 1 17 GLU H 6.000 5.900 6.100 4.452 4.324 4.620 1.576 12 20 [***********+***-****] 1
137 1 16 GLY H 1 89 ASN H 6.000 5.900 6.100 3.302 2.532 3.760 3.368 16 20 [************-**+****] 1
138 1 16 GLY H 1 89 ASN HA 6.000 5.900 6.100 5.172 4.185 5.535 1.715 16 15 "[**-** **** ***.+* *]" 1
139 1 16 GLY H 1 89 ASN QB 6.000 5.900 6.100 3.036 2.141 4.261 3.759 16 20 [***************+**-*] 1
140 1 16 GLY H 1 89 ASN QD 6.000 5.900 6.100 3.459 2.431 4.542 3.469 16 20 [***************+***-] 1
141 1 16 GLY QA 1 17 GLU H 6.000 5.900 6.100 2.221 2.092 2.285 3.808 20 20 [**********-********+] 1
142 1 17 GLU H 1 18 VAL H 6.000 5.900 6.100 4.175 3.993 4.544 1.907 19 20 [***************-**+*] 1
143 1 17 GLU H 1 88 LYS HA 6.000 5.900 6.100 4.743 4.256 5.153 1.644 11 20 [**********+*****-***] 1
144 1 17 GLU HA 1 18 VAL H 6.000 5.900 6.100 2.187 2.131 2.396 3.769 17 20 [***************-+***] 1
145 1 17 GLU HA 1 18 VAL HA 6.000 5.900 6.100 4.389 3.985 4.485 1.915 16 20 [***********-***+****] 1
146 1 17 GLU HA 1 87 ILE H 6.000 5.900 6.100 4.563 3.768 5.849 2.132 11 19 "[********-*+**** ****]" 1
147 1 17 GLU HA 1 87 ILE MG 6.000 5.900 6.100 4.568 2.843 6.137 3.057 17 17 "[******** ****-. +***]" 1
148 1 17 GLU HA 1 88 LYS HA 6.000 5.900 6.100 2.490 1.987 3.743 3.913 13 20 [************+**-****] 1
149 1 17 GLU QB 1 88 LYS HA 6.000 5.900 6.100 3.117 1.963 5.422 3.937 12 19 "[***********+*** *-**]" 1
150 1 17 GLU QG 1 88 LYS HA 6.000 5.900 6.100 3.417 1.623 5.265 4.277 4 20 [***+***********-****] 1
151 1 18 VAL H 1 87 ILE H 6.000 5.900 6.100 3.022 2.147 4.498 3.753 11 20 [**********+****-****] 1
152 1 18 VAL H 1 87 ILE MD 6.000 5.900 6.100 4.663 3.852 6.124 2.048 15 19 "[**************+ -***]" 1
153 1 18 VAL HA 1 19 CYS H 6.000 5.900 6.100 2.308 2.104 2.508 3.796 7 20 [******+********-****] 1
154 1 18 VAL HA 1 19 CYS HA 6.000 5.900 6.100 4.345 4.148 4.447 1.752 11 20 [**-*******+*********] 1
155 1 18 VAL HA 1 59 TRP HD1 6.000 5.900 6.100 6.002 5.779 6.054 0.121 11 0 "[ . 1 . 2]" 1
156 1 18 VAL HA 1 118 VAL H 6.000 5.900 6.100 4.528 2.936 5.324 2.964 5 20 [****+********-******] 1
157 1 18 VAL QG 1 87 ILE MD 6.000 5.900 6.100 2.802 1.942 4.361 3.958 4 20 [***+***********-****] 1
158 1 18 VAL QG 1 97 TYR QD 6.000 5.900 6.100 4.642 3.990 5.360 1.910 3 20 [**+************-****] 1
159 1 18 VAL QG 1 97 TYR QE 6.000 5.900 6.100 3.595 2.817 4.655 3.083 10 20 [*********+*****-****] 1
160 1 19 CYS HA 1 20 ILE H 6.000 5.900 6.100 2.248 2.132 2.637 3.768 17 20 [**********-*****+***] 1
161 1 19 CYS HA 1 84 ILE QG 6.000 5.900 6.100 3.493 2.512 5.329 3.388 1 20 [+****-**************] 1
162 1 19 CYS HA 1 86 LYS HA 6.000 5.900 6.100 2.850 1.863 4.579 4.037 18 20 [**********-******+**] 1
163 1 19 CYS HA 1 87 ILE H 6.000 5.900 6.100 3.826 3.063 4.378 2.837 18 20 [**********-******+**] 1
164 1 19 CYS QB 1 84 ILE QG 6.000 5.900 6.100 2.732 1.882 4.493 4.018 19 20 [**********-*******+*] 1
165 1 19 CYS QB 1 84 ILE MG 6.000 5.900 6.100 3.166 1.768 5.235 4.132 20 20 [**********-********+] 1
166 1 20 ILE H 1 84 ILE QG 6.000 5.900 6.100 3.347 2.089 5.371 3.811 10 20 [*********+*******-**] 1
167 1 20 ILE H 1 86 LYS HA 6.000 5.900 6.100 3.816 2.023 6.106 3.877 17 18 "[***** ***- *****+***]" 1
168 1 20 ILE MD 1 112 VAL HA 6.000 5.900 6.100 4.636 2.874 6.245 3.026 6 13 "[** *-+ **1* * *** *2]" 1
169 1 20 ILE QG 1 87 ILE MD 6.000 5.900 6.100 2.896 1.710 5.050 4.190 18 20 [*****-***********+**] 1
170 1 20 ILE MG 1 85 TRP HD1 6.000 5.900 6.100 4.061 2.240 6.116 3.660 18 18 "[**-** ******* ***+**]" 1
171 1 20 ILE MG 1 111 ASP H 6.000 5.900 6.100 5.635 4.152 6.251 1.748 4 7 "[ * +.* *1* .*- 2]" 1
172 1 20 ILE MG 1 112 VAL HA 6.000 5.900 6.100 3.744 1.820 6.060 4.080 11 19 "[********-*+**** ****]" 1
173 1 20 ILE MG 1 112 VAL HB 6.000 5.900 6.100 4.361 2.550 6.111 3.350 3 14 "[ *+ ***-*1***** **]" 1
174 1 20 ILE MG 1 112 VAL QG 6.000 5.900 6.100 2.936 1.668 5.369 4.232 20 20 [*********-*********+] 1
175 1 32 GLU H 1 33 LEU H 6.000 5.900 6.100 4.058 2.592 4.642 3.308 17 20 [***-************+***] 1
176 1 32 GLU HA 1 33 LEU H 6.000 5.900 6.100 2.532 2.098 3.491 3.802 5 20 [****+****-**********] 1
177 1 32 GLU QB 1 33 LEU H 6.000 5.900 6.100 2.986 1.578 3.921 4.322 10 20 [*********+*******-**] 1
178 1 33 LEU H 1 50 LEU QD 6.000 5.900 6.100 5.272 3.747 5.978 2.153 2 9 "[-+*** **1 . ** 2]" 1
179 1 33 LEU QB 1 85 TRP HH2 6.000 5.900 6.100 3.342 1.638 4.587 4.262 2 20 [*+**-***************] 1
180 1 33 LEU QB 1 85 TRP HZ2 6.000 5.900 6.100 3.962 1.588 5.864 4.312 8 17 "[****.**+**** *****-2]" 1
181 1 33 LEU QD 1 50 LEU QD 6.000 5.900 6.100 2.107 1.389 3.626 4.511 3 20 [**+*-***************] 1
182 1 33 LEU QD 1 73 TYR QB 6.000 5.900 6.100 2.877 1.744 4.629 4.156 17 20 [**************-*+***] 1
183 1 33 LEU QD 1 83 TRP QB 6.000 5.900 6.100 3.296 1.876 4.770 4.024 8 20 [*******+***********-] 1
184 1 33 LEU QD 1 83 TRP HE3 6.000 5.900 6.100 3.698 2.400 5.374 3.500 19 20 [****-*************+*] 1
185 1 33 LEU QD 1 83 TRP HH2 6.000 5.900 6.100 4.160 2.761 5.429 3.139 3 19 [**+*.-**************] 1
186 1 33 LEU QD 1 83 TRP HZ2 6.000 5.900 6.100 4.089 2.831 5.166 3.069 14 20 [*************+*****-] 1
187 1 33 LEU QD 1 85 TRP HH2 6.000 5.900 6.100 3.303 1.979 4.434 3.921 15 20 [************-*+*****] 1
188 1 33 LEU QD 1 85 TRP HZ2 6.000 5.900 6.100 3.578 2.336 5.362 3.564 7 20 [******+*****-*******] 1
189 1 33 LEU QD 1 85 TRP HZ3 6.000 5.900 6.100 4.203 1.980 5.437 3.920 17 19 [*********1-*****+***] 1
190 1 34 TYR HA 1 34 TYR QE 6.000 5.900 6.100 4.712 4.247 5.273 1.653 10 20 [*********+-*********] 1
191 1 34 TYR HA 1 35 ALA H 6.000 5.900 6.100 2.136 2.067 2.218 3.833 20 20 [**********-********+] 1
192 1 34 TYR HA 1 35 ALA MB 6.000 5.900 6.100 4.006 3.716 4.138 2.184 11 20 [*-********+*********] 1
193 1 34 TYR HA 1 72 LYS HA 6.000 5.900 6.100 3.251 2.231 5.212 3.669 12 20 [***********+****-***] 1
194 1 34 TYR HA 1 73 TYR H 6.000 5.900 6.100 4.486 2.341 6.359 3.559 8 16 "[****-**+**** *.* **2]" 1
195 1 34 TYR HA 1 85 TRP HH2 6.000 5.900 6.100 4.522 3.064 6.091 2.836 11 15 "[** *****-1+* *** **2]" 1
196 1 34 TYR QB 1 35 ALA H 6.000 5.900 6.100 3.781 3.419 3.979 2.481 11 20 [**********+******-**] 1
197 1 34 TYR QD 1 35 ALA H 6.000 5.900 6.100 3.372 2.629 3.930 3.271 15 20 [********-*****+*****] 1
198 1 34 TYR QD 1 35 ALA MB 6.000 5.900 6.100 4.669 4.095 4.953 1.805 8 20 [*******+-***********] 1
199 1 34 TYR QD 1 71 LEU H 6.000 5.900 6.100 4.871 3.891 6.057 2.009 12 15 "[ ***.-***1*+**.** **]" 1
200 1 34 TYR QD 1 72 LYS HA 6.000 5.900 6.100 3.640 1.921 6.247 3.979 8 17 "[*******+**** *-* **2]" 1
201 1 34 TYR QD 1 72 LYS QB 6.000 5.900 6.100 3.291 1.980 4.404 3.920 19 20 [******************+-] 1
202 1 34 TYR QD 1 72 LYS QG 6.000 5.900 6.100 2.918 1.973 5.462 3.927 1 19 "[+*************** **-]" 1
203 1 34 TYR QD 1 101 ALA HA 6.000 5.900 6.100 4.283 2.737 5.538 3.163 8 19 [*******+****-******2] 1
204 1 34 TYR QD 1 102 THR MG 6.000 5.900 6.100 4.327 2.320 5.244 3.580 19 20 [****************-*+*] 1
205 1 34 TYR QE 1 35 ALA MB 6.000 5.900 6.100 5.443 4.836 5.978 1.064 13 9 "[ -. ** 1* +** * *]" 1
206 1 34 TYR QE 1 36 VAL QG 6.000 5.900 6.100 2.941 2.034 3.852 3.866 20 20 [***-***************+] 1
207 1 34 TYR QE 1 70 PRO QB 6.000 5.900 6.100 2.593 1.801 3.283 4.099 3 20 [-*+*****************] 1
208 1 34 TYR QE 1 72 LYS HA 6.000 5.900 6.100 5.371 3.698 7.594 2.202 8 12 "[* -*. *+*1** *. * **]" 1
209 1 34 TYR QE 1 72 LYS QG 6.000 5.900 6.100 3.878 1.961 6.001 3.939 8 17 "[*******+**** -** **2]" 1
210 1 34 TYR QE 1 100 ASP QB 6.000 5.900 6.100 4.625 3.708 5.296 2.192 8 20 [****-**+************] 1
211 1 34 TYR QE 1 101 ALA HA 6.000 5.900 6.100 4.912 3.609 6.034 2.291 8 17 "[****.**+-1******* **]" 1
212 1 34 TYR QE 1 102 THR MG 6.000 5.900 6.100 4.554 2.018 6.277 3.882 20 16 "[**-**** *1*** .****+]" 1
213 1 35 ALA H 1 71 LEU H 6.000 5.900 6.100 3.099 1.800 5.179 4.100 17 20 [**************-*+***] 1
214 1 35 ALA H 1 72 LYS HA 6.000 5.900 6.100 3.991 1.967 4.863 3.933 10 20 [******-**+**********] 1
215 1 35 ALA H 1 85 TRP HH2 6.000 5.900 6.100 4.338 3.314 5.554 2.586 1 19 "[+***********-*** ***]" 1
216 1 35 ALA HA 1 36 VAL H 6.000 5.900 6.100 2.188 2.114 2.273 3.786 12 20 [*********-*+********] 1
217 1 35 ALA HA 1 101 ALA HA 6.000 5.900 6.100 2.570 1.976 4.791 3.924 5 20 [****+*********-*****] 1
218 1 35 ALA MB 1 36 VAL H 6.000 5.900 6.100 3.170 2.733 3.531 3.167 10 20 [**-******+**********] 1
219 1 35 ALA MB 1 36 VAL HA 6.000 5.900 6.100 4.118 3.836 4.357 2.064 10 20 [*********+**-*******] 1
220 1 35 ALA MB 1 48 LEU QD 6.000 5.900 6.100 2.888 1.947 4.212 3.953 14 20 [*************+**-***] 1
221 1 35 ALA MB 1 85 TRP HE1 6.000 5.900 6.100 3.303 2.271 4.146 3.629 2 20 [*+****-*************] 1
222 1 35 ALA MB 1 85 TRP HE3 6.000 5.900 6.100 4.472 3.377 6.729 2.523 7 20 [******+************-] 1
223 1 35 ALA MB 1 85 TRP HH2 6.000 5.900 6.100 3.543 2.770 4.090 3.130 5 20 [****+***********-***] 1
224 1 35 ALA MB 1 85 TRP HZ2 6.000 5.900 6.100 2.787 1.885 3.684 4.015 10 20 [******-**+**********] 1
225 1 35 ALA MB 1 99 LEU HA 6.000 5.900 6.100 4.675 4.088 5.925 1.812 11 19 [**********+***.****-] 1
226 1 35 ALA MB 1 99 LEU QD 6.000 5.900 6.100 2.163 1.585 4.362 4.315 19 20 [**************-***+*] 1
227 1 35 ALA MB 1 100 ASP H 6.000 5.900 6.100 4.440 3.875 5.159 2.025 10 20 [*******-*+**********] 1
228 1 35 ALA MB 1 101 ALA H 6.000 5.900 6.100 4.301 3.781 5.041 2.119 4 20 [***+***-************] 1
229 1 35 ALA MB 1 101 ALA HA 6.000 5.900 6.100 3.132 2.316 5.729 3.584 4 19 [**-+**********.*****] 1
230 1 35 ALA MB 1 101 ALA MB 6.000 5.900 6.100 2.229 1.826 4.197 4.074 13 20 [************+*-*****] 1
231 1 36 VAL H 1 99 LEU HA 6.000 5.900 6.100 4.821 4.169 5.679 1.731 10 19 [*********+**-*.*****] 1
232 1 36 VAL H 1 100 ASP H 6.000 5.900 6.100 3.416 2.562 4.208 3.338 10 20 [*********+****-*****] 1
233 1 36 VAL H 1 100 ASP QB 6.000 5.900 6.100 3.087 1.223 4.589 4.677 15 20 [**************+*-***] 1
234 1 36 VAL H 1 101 ALA HA 6.000 5.900 6.100 3.816 3.199 5.071 2.701 8 20 [*******+******-*****] 1
235 1 36 VAL HA 1 37 LEU H 6.000 5.900 6.100 2.146 2.082 2.268 3.818 17 20 [****************+-**] 1
236 1 36 VAL HA 1 48 LEU QD 6.000 5.900 6.100 3.919 3.003 4.697 2.897 15 20 [******-*******+*****] 1
237 1 36 VAL HB 1 37 LEU H 6.000 5.900 6.100 4.172 3.938 4.369 1.962 18 20 [*******-*********+**] 1
238 1 36 VAL HB 1 70 PRO HA 6.000 5.900 6.100 2.690 1.916 4.313 3.984 4 20 [***+*****-**********] 1
239 1 36 VAL HB 1 71 LEU H 6.000 5.900 6.100 4.532 3.802 5.452 2.098 19 18 "[*********1 -******+*]" 1
240 1 36 VAL QG 1 37 LEU H 6.000 5.900 6.100 2.629 2.152 3.058 3.748 10 20 [*****-***+**********] 1
241 1 36 VAL QG 1 38 HIS HD2 6.000 5.900 6.100 3.232 2.106 4.000 3.794 16 20 [**-************+****] 1
242 1 36 VAL QG 1 38 HIS HE1 6.000 5.900 6.100 2.859 1.892 3.725 4.008 17 20 [******-*********+***] 1
243 1 36 VAL QG 1 69 LYS H 6.000 5.900 6.100 3.096 2.648 3.490 3.252 18 20 [*******-*********+**] 1
244 1 36 VAL QG 1 70 PRO HA 6.000 5.900 6.100 2.736 1.916 3.357 3.984 2 20 [*+**********-*******] 1
245 1 36 VAL QG 1 100 ASP QB 6.000 5.900 6.100 2.201 1.513 3.733 4.387 3 20 [**+*************-***] 1
246 1 37 LEU H 1 48 LEU QD 6.000 5.900 6.100 3.117 2.104 4.123 3.796 1 20 [+*****-*************] 1
247 1 37 LEU HA 1 38 HIS H 6.000 5.900 6.100 2.139 2.093 2.180 3.807 20 20 [**************-****+] 1
248 1 37 LEU HA 1 97 TYR QD 6.000 5.900 6.100 5.387 4.176 6.099 1.724 2 9 "[ + -* **1* * . * *]" 1
249 1 37 LEU HA 1 99 LEU H 6.000 5.900 6.100 4.699 4.227 5.701 1.673 5 19 [****+*********.***-*] 1
250 1 37 LEU QB 1 38 HIS H 6.000 5.900 6.100 3.742 3.391 3.922 2.509 18 20 [******-**********+**] 1
251 1 37 LEU QB 1 67 ILE HA 6.000 5.900 6.100 3.754 2.173 5.657 3.727 12 19 [***********+*****-*2] 1
252 1 37 LEU QD 1 38 HIS H 6.000 5.900 6.100 2.792 1.690 3.726 4.210 15 20 [*******-******+*****] 1
253 1 37 LEU QD 1 67 ILE HA 6.000 5.900 6.100 3.042 2.076 5.344 3.824 3 20 [**+**************-**] 1
254 1 37 LEU QD 1 97 TYR HA 6.000 5.900 6.100 3.566 3.034 4.287 2.866 18 20 [**************-**+**] 1
255 1 37 LEU QD 1 97 TYR QB 6.000 5.900 6.100 2.016 1.404 2.791 4.496 18 20 [**************-**+**] 1
256 1 37 LEU QD 1 99 LEU HA 6.000 5.900 6.100 2.796 2.009 3.826 3.891 18 20 [*********-*******+**] 1
257 1 37 LEU QD 1 99 LEU QD 6.000 5.900 6.100 2.258 1.905 3.155 3.995 14 20 [*************+**-***] 1
258 1 37 LEU HG 1 38 HIS H 6.000 5.900 6.100 3.625 2.665 4.983 3.235 3 20 [**+*******-*********] 1
259 1 38 HIS H 1 38 HIS HD2 6.000 5.900 6.100 3.414 2.585 4.265 3.315 4 20 [***+****-***********] 1
260 1 38 HIS H 1 39 SER HA 6.000 5.900 6.100 5.014 4.741 5.329 1.159 17 20 [-***************+***] 1
261 1 38 HIS H 1 97 TYR HA 6.000 5.900 6.100 4.879 4.134 5.393 1.766 3 20 [**+**-**************] 1
262 1 38 HIS H 1 98 SER H 6.000 5.900 6.100 3.011 2.570 3.338 3.330 3 20 [**+**-**************] 1
263 1 38 HIS H 1 98 SER QB 6.000 5.900 6.100 3.299 2.868 3.699 3.032 16 20 [*******-*******+****] 1
264 1 38 HIS H 1 99 LEU H 6.000 5.900 6.100 4.581 4.116 5.175 1.784 8 20 [*******+******-*****] 1
265 1 38 HIS H 1 99 LEU HA 6.000 5.900 6.100 3.287 2.539 4.045 3.361 8 20 [*******+******-*****] 1
266 1 38 HIS HA 1 39 SER H 6.000 5.900 6.100 2.328 2.090 2.577 3.810 18 20 [****************-+**] 1
267 1 38 HIS HA 1 39 SER QB 6.000 5.900 6.100 4.445 3.917 4.734 1.983 3 20 [*-+*****************] 1
268 1 38 HIS QB 1 39 SER H 6.000 5.900 6.100 2.680 2.135 3.406 3.765 12 20 [***-*******+********] 1
269 1 38 HIS QB 1 98 SER H 6.000 5.900 6.100 3.207 2.891 3.698 3.009 4 20 [***+************-***] 1
270 1 38 HIS QB 1 98 SER QB 6.000 5.900 6.100 2.085 1.777 3.397 4.123 1 20 [+*-*****************] 1
271 1 38 HIS HD2 1 39 SER H 6.000 5.900 6.100 5.942 5.679 6.151 0.221 17 0 "[ . 1 . 2]" 1
272 1 38 HIS HD2 1 98 SER QB 6.000 5.900 6.100 2.832 1.672 3.975 4.228 3 20 [**+************-****] 1
273 1 38 HIS HD2 1 99 LEU HA 6.000 5.900 6.100 4.725 3.836 5.769 2.064 2 17 "[*+**** * ***-** ****]" 1
274 1 38 HIS HD2 1 100 ASP H 6.000 5.900 6.100 4.007 3.160 6.064 2.740 11 19 [******-***+***.*****] 1
275 1 39 SER H 1 98 SER H 6.000 5.900 6.100 4.801 4.274 5.209 1.626 12 20 [**********-+********] 1
276 1 39 SER HA 1 40 THR H 6.000 5.900 6.100 2.237 2.149 2.581 3.751 10 20 [****-****+**********] 1
277 1 39 SER HA 1 46 MET ME 6.000 5.900 6.100 3.159 2.038 4.685 3.862 16 20 [***************+-***] 1
278 1 39 SER HA 1 97 TYR HA 6.000 5.900 6.100 3.020 2.362 3.944 3.538 15 20 [****-*********+*****] 1
279 1 39 SER QB 1 40 THR H 6.000 5.900 6.100 3.466 2.194 3.934 3.706 5 20 [**-*+***************] 1
280 1 39 SER QB 1 41 ASN H 6.000 5.900 6.100 3.687 2.911 5.182 2.989 6 20 [**-**+**************] 1
281 1 39 SER QB 1 44 ALA MB 6.000 5.900 6.100 2.059 1.877 2.671 4.023 7 20 [*****-+*************] 1
282 1 39 SER QB 1 46 MET ME 6.000 5.900 6.100 2.927 1.932 4.879 3.968 12 20 [****-******+********] 1
283 1 39 SER QB 1 67 ILE MG 6.000 5.900 6.100 2.944 1.872 4.593 4.028 3 20 [**+*****-***********] 1
284 1 39 SER QB 1 97 TYR HA 6.000 5.900 6.100 4.469 3.087 5.416 2.813 12 19 [***-.******+********] 1
285 1 40 THR H 1 41 ASN H 6.000 5.900 6.100 3.465 2.266 4.390 3.634 6 20 [**-**+**************] 1
286 1 40 THR H 1 96 ASN QB 6.000 5.900 6.100 4.301 2.815 5.864 3.085 12 16 "[****. **** +***-** *]" 1
287 1 40 THR HA 1 41 ASN H 6.000 5.900 6.100 2.616 2.127 3.540 3.773 3 20 [**+*****-***********] 1
288 1 40 THR MG 1 41 ASN H 6.000 5.900 6.100 3.890 2.705 4.436 3.195 3 20 [**+**-**************] 1
289 1 40 THR MG 1 96 ASN QD 6.000 5.900 6.100 4.083 2.144 5.612 3.756 7 18 "[ *****+**-****** ***]" 1
290 1 41 ASN H 1 43 ASN H 6.000 5.900 6.100 5.678 4.474 6.083 1.426 5 3 "[ * + 1 . - 2]" 1
291 1 41 ASN HA 1 42 VAL H 6.000 5.900 6.100 2.630 2.279 3.303 3.621 9 20 [****-***+***********] 1
292 1 41 ASN QB 1 42 VAL H 6.000 5.900 6.100 2.332 1.606 3.318 4.294 1 20 [+*********-*********] 1
293 1 41 ASN QD 1 43 ASN H 6.000 5.900 6.100 4.707 3.392 5.844 2.508 17 16 "[ **** ***** **-*+* *]" 1
294 1 41 ASN QD 1 44 ALA HA 6.000 5.900 6.100 3.194 2.043 5.164 3.857 3 20 [**+*-***************] 1
295 1 41 ASN QD 1 95 SER HA 6.000 5.900 6.100 3.163 1.928 4.325 3.972 7 20 [***-**+*************] 1
296 1 41 ASN QD 1 95 SER QB 6.000 5.900 6.100 2.644 1.856 4.392 4.044 11 20 [**********+********-] 1
297 1 42 VAL H 1 43 ASN H 6.000 5.900 6.100 3.198 2.543 4.553 3.357 16 20 [***************+**-*] 1
298 1 42 VAL H 1 44 ALA H 6.000 5.900 6.100 5.380 3.317 6.077 2.583 20 10 "[- *.** *1*** . * +]" 1
299 1 42 VAL HA 1 43 ASN H 6.000 5.900 6.100 3.336 2.099 3.588 3.801 11 20 [*******-**+*********] 1
300 1 42 VAL HB 1 43 ASN H 6.000 5.900 6.100 2.339 1.702 3.777 4.198 1 20 [+****-**************] 1
301 1 42 VAL HB 1 43 ASN HA 6.000 5.900 6.100 4.287 3.662 5.235 2.238 4 20 [***+*-**************] 1
302 1 42 VAL QG 1 43 ASN H 6.000 5.900 6.100 2.656 1.884 3.332 4.016 4 20 [***+******-*********] 1
303 1 42 VAL QG 1 43 ASN HA 6.000 5.900 6.100 4.023 3.471 4.898 2.429 8 20 [*******+**-*********] 1
304 1 42 VAL QG 1 43 ASN QD 6.000 5.900 6.100 4.844 3.713 5.272 2.187 6 20 [*****+**********-***] 1
305 1 43 ASN H 1 44 ALA H 6.000 5.900 6.100 3.702 2.461 4.288 3.439 20 20 [*********-*********+] 1
306 1 43 ASN HA 1 44 ALA H 6.000 5.900 6.100 2.363 2.096 3.291 3.804 10 20 [*********+*********-] 1
307 1 43 ASN QB 1 44 ALA H 6.000 5.900 6.100 3.774 3.315 4.022 2.585 10 20 [***-*****+**********] 1
308 1 44 ALA H 1 45 ASP H 6.000 5.900 6.100 3.370 2.431 4.123 3.469 17 20 [***************-+***] 1
309 1 44 ALA HA 1 45 ASP H 6.000 5.900 6.100 2.754 2.162 3.533 3.738 16 20 [**********-****+****] 1
310 1 44 ALA HA 1 45 ASP QB 6.000 5.900 6.100 4.516 4.109 5.175 1.791 1 20 [+******-************] 1
311 1 44 ALA MB 1 45 ASP H 6.000 5.900 6.100 3.339 1.663 3.707 4.237 12 20 [*-*********+********] 1
312 1 44 ALA MB 1 46 MET QB 6.000 5.900 6.100 4.154 2.451 5.114 3.449 1 20 [+************-******] 1
313 1 44 ALA MB 1 46 MET ME 6.000 5.900 6.100 3.467 1.983 4.601 3.917 13 20 [***-********+*******] 1
314 1 45 ASP H 1 46 MET H 6.000 5.900 6.100 3.385 2.273 4.419 3.627 12 20 [***********+****-***] 1
315 1 45 ASP H 1 46 MET ME 6.000 5.900 6.100 4.671 3.533 5.671 2.367 19 16 "[** *.*****-***** +*]" 1
316 1 45 ASP HA 1 46 MET H 6.000 5.900 6.100 2.478 2.088 2.921 3.812 17 20 [*************-**+***] 1
317 1 45 ASP HA 1 46 MET QB 6.000 5.900 6.100 4.586 3.909 5.055 1.991 17 20 [*************-**+***] 1
318 1 45 ASP QB 1 46 MET H 6.000 5.900 6.100 3.943 3.695 4.056 2.205 17 20 [***********-****+***] 1
319 1 45 ASP QB 1 91 SER H 6.000 5.900 6.100 3.565 2.136 5.381 3.764 12 20 [***********+*******-] 1
320 1 45 ASP QB 1 91 SER QB 6.000 5.900 6.100 4.076 2.164 5.300 3.736 12 20 [**********-+********] 1
321 1 46 MET H 1 47 THR H 6.000 5.900 6.100 4.359 4.171 4.501 1.729 5 20 [***-+***************] 1
322 1 46 MET H 1 67 ILE H 6.000 5.900 6.100 5.413 4.092 6.309 1.808 8 10 "[*-* . +**** .* *2]" 1
323 1 46 MET HA 1 47 THR H 6.000 5.900 6.100 2.208 2.110 2.681 3.790 6 20 [*****+**********-***] 1
324 1 46 MET HA 1 47 THR HB 6.000 5.900 6.100 5.241 4.910 5.592 0.990 17 14 "[** -*** ***** * + *]" 1
325 1 46 MET HA 1 47 THR MG 6.000 5.900 6.100 4.901 3.906 5.511 1.994 16 19 "[***********-***+ ***]" 1
326 1 46 MET HA 1 87 ILE MG 6.000 5.900 6.100 4.424 3.252 5.838 2.648 6 19 "[*****+********** **-]" 1
327 1 46 MET HA 1 89 ASN HA 6.000 5.900 6.100 2.251 1.783 2.960 4.117 12 20 [***-*******+********] 1
328 1 46 MET HA 1 90 ASN H 6.000 5.900 6.100 3.177 1.990 3.935 3.910 16 20 [***************+***-] 1
329 1 46 MET HA 1 90 ASN QD 6.000 5.900 6.100 4.212 3.062 5.517 2.838 4 19 "[***+** ***-*********]" 1
330 1 46 MET HA 1 91 SER H 6.000 5.900 6.100 5.141 4.084 6.148 1.816 8 13 "[** **-*+** * * * *2]" 1
331 1 46 MET QB 1 47 THR H 6.000 5.900 6.100 3.254 2.369 3.747 3.531 17 20 [**-*************+***] 1
332 1 46 MET QB 1 89 ASN HA 6.000 5.900 6.100 3.564 2.567 4.286 3.333 12 20 [*********-*+********] 1
333 1 46 MET ME 1 95 SER HA 6.000 5.900 6.100 4.477 3.439 5.864 2.461 20 18 "[** ** *********-***+]" 1
334 1 46 MET ME 1 95 SER QB 6.000 5.900 6.100 2.512 1.892 3.625 4.008 14 20 [*****-*******+******] 1
335 1 46 MET ME 1 97 TYR HA 6.000 5.900 6.100 2.875 2.014 3.692 3.886 14 20 [*************+**-***] 1
336 1 46 MET ME 1 97 TYR QB 6.000 5.900 6.100 2.300 1.825 3.262 4.075 3 20 [**+***************-*] 1
337 1 46 MET QG 1 47 THR H 6.000 5.900 6.100 3.383 2.293 4.592 3.607 18 20 [******-**********+**] 1
338 1 47 THR H 1 87 ILE MG 6.000 5.900 6.100 4.177 3.400 4.941 2.500 12 20 [***********+****-***] 1
339 1 47 THR H 1 90 ASN H 6.000 5.900 6.100 4.619 3.195 5.706 2.705 8 18 "[**-****+** ****** **]" 1
340 1 47 THR H 1 90 ASN QD 6.000 5.900 6.100 4.749 3.812 5.823 2.088 3 16 "[**+*** **- *** ****]" 1
341 1 47 THR HA 1 48 LEU H 6.000 5.900 6.100 2.157 2.115 2.192 3.785 7 20 [******+-************] 1
342 1 47 THR HA 1 65 ASN H 6.000 5.900 6.100 4.785 4.116 6.092 1.784 18 18 "[****-****** ****+**]" 1
343 1 47 THR HB 1 88 LYS H 6.000 5.900 6.100 3.943 2.902 4.602 2.998 17 20 [****************+*-*] 1
344 1 47 THR HB 1 88 LYS QB 6.000 5.900 6.100 3.313 2.064 4.567 3.836 17 20 [**************-*+***] 1
345 1 47 THR MG 1 48 LEU H 6.000 5.900 6.100 3.219 2.524 3.833 3.376 12 20 [*******-***+********] 1
346 1 47 THR MG 1 64 ARG HA 6.000 5.900 6.100 4.142 2.710 5.703 3.190 20 18 "[*********** *** **-+]" 1
347 1 47 THR MG 1 64 ARG QB 6.000 5.900 6.100 3.457 1.956 4.802 3.944 4 20 [***+**************-*] 1
348 1 47 THR MG 1 65 ASN H 6.000 5.900 6.100 3.812 2.699 4.817 3.201 20 20 [***************-***+] 1
349 1 47 THR MG 1 66 ASP HA 6.000 5.900 6.100 3.694 2.044 5.584 3.856 19 19 "[**************** -+*]" 1
350 1 48 LEU H 1 49 ILE H 6.000 5.900 6.100 4.359 4.224 4.588 1.676 13 20 [***********-+*******] 1
351 1 48 LEU H 1 65 ASN H 6.000 5.900 6.100 3.552 2.998 4.250 2.902 3 20 [**+********-********] 1
352 1 48 LEU HA 1 49 ILE H 6.000 5.900 6.100 2.165 2.113 2.282 3.787 11 20 [**********+-********] 1
353 1 48 LEU HA 1 88 LYS H 6.000 5.900 6.100 3.716 2.773 4.467 3.127 8 20 [*******+********-***] 1
354 1 48 LEU QB 1 49 ILE H 6.000 5.900 6.100 3.796 3.184 3.953 2.716 4 20 [***+********-*******] 1
355 1 48 LEU QB 1 65 ASN H 6.000 5.900 6.100 3.508 2.288 4.188 3.612 17 20 [***-************+***] 1
356 1 48 LEU QD 1 49 ILE H 6.000 5.900 6.100 2.850 1.823 3.472 4.077 12 20 [***********+*-******] 1
357 1 48 LEU QD 1 65 ASN H 6.000 5.900 6.100 4.130 3.419 4.649 2.481 12 20 [**-********+********] 1
358 1 48 LEU QD 1 65 ASN QB 6.000 5.900 6.100 2.984 1.800 4.034 4.100 17 20 [**************-*+***] 1
359 1 48 LEU QD 1 85 TRP HE3 6.000 5.900 6.100 2.768 1.874 3.898 4.026 2 20 [*+**-***************] 1
360 1 48 LEU QD 1 99 LEU QD 6.000 5.900 6.100 2.193 1.661 3.773 4.239 8 20 [*******+********-***] 1
361 1 48 LEU HG 1 49 ILE H 6.000 5.900 6.100 3.652 3.081 5.130 2.819 3 20 [**+***-*************] 1
362 1 48 LEU HG 1 65 ASN H 6.000 5.900 6.100 4.717 2.663 6.111 3.237 4 15 "[* *+** **1* ****-* *]" 1
363 1 49 ILE H 1 50 LEU H 6.000 5.900 6.100 4.323 4.197 4.398 1.703 13 20 [*****-******+*******] 1
364 1 49 ILE H 1 86 LYS H 6.000 5.900 6.100 3.350 2.904 3.847 2.996 11 20 [**********+*-*******] 1
365 1 49 ILE H 1 87 ILE HA 6.000 5.900 6.100 3.669 3.183 4.041 2.717 9 20 [********+**********-] 1
366 1 49 ILE H 1 88 LYS H 6.000 5.900 6.100 4.154 3.491 4.764 2.409 8 20 [**-****+************] 1
367 1 49 ILE HA 1 50 LEU H 6.000 5.900 6.100 2.074 1.981 2.164 3.919 13 20 [*****-******+*******] 1
368 1 49 ILE HA 1 64 ARG HA 6.000 5.900 6.100 2.429 1.987 4.049 3.913 11 20 [**********+-********] 1
369 1 49 ILE HA 1 65 ASN H 6.000 5.900 6.100 3.230 2.795 4.500 3.105 1 20 [+**********-********] 1
370 1 49 ILE MD 1 64 ARG H 6.000 5.900 6.100 4.319 2.938 5.830 2.962 14 17 "[*** *****1** +***-**]" 1
371 1 49 ILE MD 1 64 ARG HA 6.000 5.900 6.100 3.410 1.991 5.443 3.909 8 19 "[***-***+*** ********]" 1
372 1 49 ILE QG 1 64 ARG H 6.000 5.900 6.100 4.389 2.892 5.894 3.008 12 16 "[*** *****1*+****- *2]" 1
373 1 49 ILE QG 1 64 ARG HA 6.000 5.900 6.100 3.277 1.967 4.875 3.933 3 20 [**+********-********] 1
374 1 49 ILE MG 1 63 LYS H 6.000 5.900 6.100 4.758 2.678 6.125 3.222 3 13 "[**+ ** ***** -* * 2]" 1
375 1 49 ILE MG 1 64 ARG HA 6.000 5.900 6.100 4.222 2.065 5.854 3.835 18 19 "[*********** ****-+**]" 1
376 1 49 ILE MG 1 86 LYS H 6.000 5.900 6.100 3.236 2.275 4.817 3.625 17 20 [****************+-**] 1
377 1 49 ILE MG 1 87 ILE H 6.000 5.900 6.100 4.915 4.026 5.793 1.874 4 15 "[* +*** **-***** **]" 1
378 1 50 LEU H 1 63 LYS H 6.000 5.900 6.100 3.292 2.901 4.533 2.999 3 20 [**+*********-*******] 1
379 1 50 LEU H 1 64 ARG HA 6.000 5.900 6.100 3.633 2.998 4.119 2.902 13 20 [*-**********+*******] 1
380 1 50 LEU HA 1 51 LEU H 6.000 5.900 6.100 2.170 2.093 2.253 3.807 13 20 [**-*********+*******] 1
381 1 50 LEU HA 1 85 TRP HE3 6.000 5.900 6.100 2.954 2.306 3.744 3.594 11 20 [******-***+*********] 1
382 1 50 LEU HA 1 85 TRP HZ3 6.000 5.900 6.100 3.506 2.281 4.934 3.619 13 20 [******-*****+*******] 1
383 1 50 LEU HA 1 86 LYS H 6.000 5.900 6.100 3.696 3.305 4.195 2.595 5 20 [****+****-**********] 1
384 1 50 LEU QB 1 51 LEU H 6.000 5.900 6.100 3.726 3.320 3.985 2.580 6 20 [**-**+**************] 1
385 1 50 LEU QB 1 63 LYS H 6.000 5.900 6.100 3.261 2.591 4.334 3.309 14 20 [************-+******] 1
386 1 50 LEU QB 1 85 TRP HE3 6.000 5.900 6.100 3.818 2.865 4.183 3.035 11 20 [**********+********-] 1
387 1 50 LEU QD 1 51 LEU H 6.000 5.900 6.100 2.480 1.844 3.524 4.056 16 20 [**************-+****] 1
388 1 50 LEU QD 1 63 LYS H 6.000 5.900 6.100 4.339 3.776 5.065 2.124 19 20 [************-*****+*] 1
389 1 50 LEU QD 1 63 LYS QB 6.000 5.900 6.100 2.914 2.431 3.409 3.469 17 20 [**************-*+***] 1
390 1 50 LEU QD 1 63 LYS QE 6.000 5.900 6.100 4.291 2.095 5.437 3.805 13 19 "[******-*****+**** **]" 1
391 1 50 LEU QD 1 63 LYS QG 6.000 5.900 6.100 3.402 2.300 4.100 3.600 9 20 [********+******-****] 1
392 1 50 LEU QD 1 73 TYR H 6.000 5.900 6.100 4.652 2.234 5.938 3.666 15 14 "[* -*** * * *+*****]" 1
393 1 50 LEU QD 1 73 TYR HA 6.000 5.900 6.100 4.342 2.183 5.767 3.717 20 17 "[* ****- ******** **+]" 1
394 1 50 LEU QD 1 73 TYR QB 6.000 5.900 6.100 3.118 1.507 4.370 4.393 5 20 [**-*+***************] 1
395 1 50 LEU QD 1 83 TRP HA 6.000 5.900 6.100 4.249 3.262 5.855 2.638 7 19 "[** ***+*******-*****]" 1
396 1 50 LEU QD 1 83 TRP QB 6.000 5.900 6.100 2.630 1.772 3.830 4.128 7 20 [**-***+*************] 1
397 1 50 LEU QD 1 83 TRP HE3 6.000 5.900 6.100 2.348 1.851 3.700 4.049 17 20 [**************-*+***] 1
398 1 50 LEU QD 1 83 TRP HH2 6.000 5.900 6.100 4.529 3.478 5.344 2.422 18 20 [******-**********+**] 1
399 1 50 LEU QD 1 85 TRP HA 6.000 5.900 6.100 3.642 2.687 4.383 3.213 7 20 [******+************-] 1
400 1 50 LEU QD 1 85 TRP HE3 6.000 5.900 6.100 3.141 2.168 3.849 3.732 15 20 [**************+**-**] 1
401 1 50 LEU QD 1 85 TRP HH2 6.000 5.900 6.100 2.952 2.424 3.443 3.476 3 20 [**+*************-***] 1
402 1 50 LEU QD 1 85 TRP HZ2 6.000 5.900 6.100 4.116 3.043 4.616 2.857 18 20 [****************-+**] 1
403 1 50 LEU QD 1 85 TRP HZ3 6.000 5.900 6.100 2.547 1.711 3.323 4.189 15 20 [**************+**-**] 1
404 1 50 LEU QD 1 86 LYS H 6.000 5.900 6.100 4.713 3.376 5.269 2.524 15 20 [**************+****-] 1
405 1 50 LEU HG 1 63 LYS H 6.000 5.900 6.100 5.511 3.315 6.274 2.585 19 7 "[ * . * 1* * - *+2]" 1
406 1 51 LEU H 1 52 ARG H 6.000 5.900 6.100 4.418 4.305 4.486 1.595 6 20 [-****+**************] 1
407 1 51 LEU H 1 83 TRP HA 6.000 5.900 6.100 4.832 3.820 5.390 2.080 15 20 [********-*****+*****] 1
408 1 51 LEU H 1 84 ILE H 6.000 5.900 6.100 3.087 2.053 3.530 3.847 15 20 [**************+***-*] 1
409 1 51 LEU H 1 84 ILE MD 6.000 5.900 6.100 5.536 3.790 6.196 2.110 18 7 "[ * *. *1 * -.* + 2]" 1
410 1 51 LEU H 1 84 ILE QG 6.000 5.900 6.100 5.391 3.060 6.043 2.840 18 8 "[*- . * *1* * *+ 2]" 1
411 1 51 LEU H 1 86 LYS H 6.000 5.900 6.100 3.945 3.459 4.858 2.441 18 20 [*****-***********+**] 1
412 1 51 LEU HA 1 52 ARG H 6.000 5.900 6.100 2.294 2.161 2.486 3.739 5 20 [****+-**************] 1
413 1 51 LEU HA 1 63 LYS H 6.000 5.900 6.100 4.027 3.421 4.555 2.479 15 20 [*************-+*****] 1
414 1 51 LEU QB 1 52 ARG H 6.000 5.900 6.100 2.924 1.974 3.452 3.926 6 20 [*****+********-*****] 1
415 1 51 LEU QB 1 59 TRP HE3 6.000 5.900 6.100 3.631 2.135 4.710 3.765 6 20 [*****+******-*******] 1
416 1 51 LEU QB 1 84 ILE MG 6.000 5.900 6.100 2.423 1.413 5.405 4.487 11 19 "[********-*+****** **]" 1
417 1 51 LEU QD 1 52 ARG H 6.000 5.900 6.100 2.776 1.756 3.906 4.144 2 20 [*+****-*************] 1
418 1 51 LEU QD 1 59 TRP QB 6.000 5.900 6.100 1.999 1.517 3.080 4.383 13 20 [************+*****-*] 1
419 1 51 LEU QD 1 59 TRP HE3 6.000 5.900 6.100 2.573 1.884 4.509 4.016 8 20 [*******+**********-*] 1
420 1 51 LEU QD 1 60 GLY H 6.000 5.900 6.100 2.451 1.753 3.846 4.147 3 20 [**+****************-] 1
421 1 51 LEU QD 1 63 LYS H 6.000 5.900 6.100 4.376 3.346 5.151 2.554 16 20 [********-******+****] 1
422 1 51 LEU QD 1 84 ILE MG 6.000 5.900 6.100 2.409 1.677 4.039 4.223 3 20 [**+**************-**] 1
423 1 51 LEU HG 1 52 ARG H 6.000 5.900 6.100 3.295 1.703 4.136 4.197 20 20 [****************-**+] 1
424 1 51 LEU HG 1 59 TRP HE3 6.000 5.900 6.100 3.939 1.953 5.731 3.947 20 16 "[****** *** -**** * +]" 1
425 1 51 LEU HG 1 84 ILE MG 6.000 5.900 6.100 3.386 1.863 5.001 4.037 13 20 [************+****-**] 1
426 1 52 ARG H 1 59 TRP HE3 6.000 5.900 6.100 4.551 2.169 5.760 3.731 6 16 "[** **+* -1* ********]" 1
427 1 52 ARG H 1 59 TRP HZ3 6.000 5.900 6.100 5.062 2.829 6.366 3.071 6 10 "[* *+* 1- ** ** *]" 1
428 1 52 ARG HA 1 59 TRP HZ3 6.000 5.900 6.100 3.346 1.822 4.329 4.078 15 20 [**************+***-*] 1
429 1 52 ARG HA 1 83 TRP H 6.000 5.900 6.100 5.222 4.427 6.043 1.473 15 12 "[***-. ****** +* 2]" 1
430 1 52 ARG HA 1 83 TRP HA 6.000 5.900 6.100 2.720 1.931 3.479 3.969 1 20 [+****-**************] 1
431 1 52 ARG HA 1 83 TRP HE3 6.000 5.900 6.100 4.974 4.024 6.252 1.876 12 14 "[ * *****-**+ .*** *]" 1
432 1 53 ASN QD 1 54 VAL HA 6.000 5.900 6.100 3.472 2.665 4.983 3.235 13 20 [************+*****-*] 1
433 1 53 ASN QD 1 54 VAL HB 6.000 5.900 6.100 4.942 4.285 5.659 1.615 19 18 "[*********** *-*** +*]" 1
434 1 53 ASN QD 1 54 VAL QG 6.000 5.900 6.100 4.427 3.958 5.016 1.942 13 20 [************+****-**] 1
435 1 53 ASN QD 1 56 GLY QA 6.000 5.900 6.100 3.811 2.598 4.767 3.302 15 20 [**************+***-*] 1
436 1 53 ASN QD 1 57 ASN HA 6.000 5.900 6.100 4.467 2.207 5.666 3.693 1 15 "[+ * ** -***** ** ***]" 1
437 1 53 ASN QD 1 58 GLY H 6.000 5.900 6.100 2.847 1.917 3.535 3.983 15 20 [************-*+*****] 1
438 1 53 ASN QD 1 58 GLY QA 6.000 5.900 6.100 3.579 2.617 4.234 3.283 6 20 [*****+*******-******] 1
439 1 53 ASN QD 1 59 TRP H 6.000 5.900 6.100 3.988 3.051 5.073 2.849 18 20 [*************-***+**] 1
440 1 53 ASN QD 1 59 TRP HD1 6.000 5.900 6.100 5.175 4.216 5.807 1.684 18 12 "[*** . *-*** .**+*2]" 1
441 1 53 ASN QD 1 59 TRP HE1 6.000 5.900 6.100 5.134 4.245 5.912 1.655 1 13 "[+** .****** .*** -]" 1
442 1 53 ASN QD 1 59 TRP HZ2 6.000 5.900 6.100 4.884 3.924 5.780 1.976 1 14 "[+** .****** .***-*]" 1
443 1 56 GLY QA 1 57 ASN H 6.000 5.900 6.100 2.347 2.099 2.911 3.801 9 20 [********+**-********] 1
444 1 56 GLY QA 1 58 GLY H 6.000 5.900 6.100 4.117 3.240 5.819 2.660 11 18 "[**********+ -***** *]" 1
445 1 57 ASN H 1 58 GLY H 6.000 5.900 6.100 3.219 2.065 4.522 3.835 4 20 [***+********-*******] 1
446 1 57 ASN HA 1 58 GLY H 6.000 5.900 6.100 2.736 2.118 3.584 3.782 12 20 [******-****+********] 1
447 1 57 ASN QB 1 58 GLY H 6.000 5.900 6.100 3.584 1.769 4.017 4.131 9 20 [*****-**+***********] 1
448 1 58 GLY H 1 59 TRP H 6.000 5.900 6.100 4.028 2.912 4.629 2.988 6 20 [*****+*****-********] 1
449 1 58 GLY QA 1 59 TRP H 6.000 5.900 6.100 2.204 1.941 2.571 3.959 19 20 [*****-************+*] 1
450 1 58 GLY QA 1 59 TRP HD1 6.000 5.900 6.100 4.344 3.503 5.054 2.397 10 20 [*****-***+**********] 1
451 1 58 GLY QA 1 118 VAL QG 6.000 5.900 6.100 3.439 1.865 6.441 4.035 12 18 "[***** ****-+****** *]" 1
452 1 59 TRP H 1 59 TRP HD1 6.000 5.900 6.100 3.328 2.514 4.233 3.386 11 20 [**********+****-****] 1
453 1 59 TRP H 1 59 TRP HE1 6.000 5.900 6.100 5.119 4.305 6.059 1.595 19 13 "[*** *** -1* * * **+2]" 1
454 1 59 TRP H 1 59 TRP HE3 6.000 5.900 6.100 4.867 2.434 5.641 3.466 19 18 "[*** *****1***-****+*]" 1
455 1 59 TRP H 1 118 VAL QG 6.000 5.900 6.100 3.039 1.422 5.346 4.478 12 20 [*****-*****+********] 1
456 1 59 TRP HA 1 60 GLY H 6.000 5.900 6.100 2.247 2.077 2.765 3.823 18 20 [*-***************+**] 1
457 1 59 TRP QB 1 60 GLY H 6.000 5.900 6.100 3.251 1.866 3.896 4.034 2 20 [*+***-**************] 1
458 1 59 TRP QB 1 118 VAL QG 6.000 5.900 6.100 2.860 1.898 4.244 4.002 17 20 [**********-*****+***] 1
459 1 59 TRP HD1 1 84 ILE MG 6.000 5.900 6.100 4.788 3.887 5.776 2.013 11 15 "[***-* ** *+** *** *2]" 1
460 1 59 TRP HD1 1 118 VAL QG 6.000 5.900 6.100 1.950 1.373 3.149 4.527 2 20 [*+***-**************] 1
461 1 59 TRP HE1 1 84 ILE MG 6.000 5.900 6.100 4.693 3.677 5.699 2.223 7 18 "[*** **+* **-********]" 1
462 1 59 TRP HE1 1 118 VAL QG 6.000 5.900 6.100 2.768 1.470 3.639 4.430 11 20 [**********+*****-***] 1
463 1 59 TRP HE3 1 60 GLY H 6.000 5.900 6.100 3.792 3.045 5.009 2.855 7 20 [******+***********-*] 1
464 1 59 TRP HE3 1 83 TRP HA 6.000 5.900 6.100 5.837 4.221 6.218 1.679 1 2 "[+ . 1- . 2]" 1
465 1 59 TRP HE3 1 84 ILE QG 6.000 5.900 6.100 4.776 2.397 5.699 3.503 18 13 "[ ***. ****** **-+ 2]" 1
466 1 59 TRP HE3 1 84 ILE MG 6.000 5.900 6.100 3.028 2.136 4.598 3.764 2 20 [*+****************-*] 1
467 1 59 TRP HE3 1 118 VAL QG 6.000 5.900 6.100 5.199 4.198 5.357 1.702 6 20 [*****+********-*****] 1
468 1 59 TRP HH2 1 83 TRP HA 6.000 5.900 6.100 5.600 4.388 6.096 1.512 14 5 "[* * 1- +. *]" 1
469 1 59 TRP HH2 1 84 ILE HB 6.000 5.900 6.100 3.436 1.912 5.690 3.988 20 19 "[***************** -+]" 1
470 1 59 TRP HH2 1 84 ILE MG 6.000 5.900 6.100 4.141 2.788 5.586 3.112 18 19 "[***********-*****+ *]" 1
471 1 59 TRP HZ2 1 84 ILE QG 6.000 5.900 6.100 3.763 2.639 4.882 3.261 16 20 [********-******+****] 1
472 1 59 TRP HZ2 1 84 ILE MG 6.000 5.900 6.100 4.429 3.618 5.340 2.282 18 20 [***********-*****+**] 1
473 1 59 TRP HZ3 1 83 TRP H 6.000 5.900 6.100 5.879 4.465 7.489 1.435 1 4 "[+ . 1* -. *2]" 1
474 1 59 TRP HZ3 1 83 TRP HA 6.000 5.900 6.100 4.396 3.050 5.105 2.850 1 20 [+*****************-*] 1
475 1 59 TRP HZ3 1 84 ILE H 6.000 5.900 6.100 4.412 2.672 5.276 3.228 6 20 [*****+************-*] 1
476 1 59 TRP HZ3 1 84 ILE HB 6.000 5.900 6.100 3.139 1.971 5.170 3.929 6 20 [*****+***********-**] 1
477 1 59 TRP HZ3 1 84 ILE MG 6.000 5.900 6.100 3.409 2.292 5.363 3.608 9 20 [********+*********-*] 1
478 1 60 GLY H 1 118 VAL QG 6.000 5.900 6.100 5.662 4.728 7.180 1.172 17 12 "[ ******- 1** **+ 2]" 1
479 1 60 GLY QA 1 61 GLU H 6.000 5.900 6.100 2.289 2.100 2.885 3.800 17 20 [*****-**********+***] 1
480 1 61 GLU HA 1 62 ILE H 6.000 5.900 6.100 2.266 2.136 2.559 3.764 15 20 [************-*+*****] 1
481 1 61 GLU HA 1 63 LYS H 6.000 5.900 6.100 4.914 4.294 5.355 1.606 17 20 [***-************+***] 1
482 1 62 ILE H 1 63 LYS H 6.000 5.900 6.100 2.830 2.227 3.173 3.673 17 20 [**********-*****+***] 1
483 1 62 ILE HA 1 63 LYS H 6.000 5.900 6.100 3.458 2.490 3.663 3.410 11 20 [**********+********-] 1
484 1 62 ILE HB 1 63 LYS H 6.000 5.900 6.100 2.823 1.732 4.549 4.168 15 20 [-*************+*****] 1
485 1 62 ILE MG 1 63 LYS H 6.000 5.900 6.100 2.610 1.567 4.330 4.333 12 20 [*****-*****+********] 1
486 1 63 LYS H 1 63 LYS QD 6.000 5.900 6.100 4.437 4.017 4.787 1.883 1 20 [+***********-*******] 1
487 1 63 LYS H 1 64 ARG H 6.000 5.900 6.100 4.294 3.886 4.568 2.014 12 20 [***********+****-***] 1
488 1 63 LYS HA 1 63 LYS QZ 6.000 5.900 6.100 4.189 2.976 4.983 2.924 20 20 [**-****************+] 1
489 1 63 LYS HA 1 64 ARG H 6.000 5.900 6.100 2.194 2.128 2.383 3.772 9 20 [********+**-********] 1
490 1 63 LYS QB 1 64 ARG H 6.000 5.900 6.100 3.791 3.198 4.077 2.702 13 20 [***********-+*******] 1
491 1 63 LYS QB 1 64 ARG HA 6.000 5.900 6.100 4.546 3.943 4.863 1.957 13 20 [******-*****+*******] 1
492 1 63 LYS QD 1 64 ARG H 6.000 5.900 6.100 3.529 2.658 4.910 3.242 4 20 [***+**********-*****] 1
493 1 63 LYS QD 1 64 ARG HA 6.000 5.900 6.100 4.741 3.574 6.085 2.326 17 19 "[****-******* ***+***]" 1
494 1 63 LYS QG 1 64 ARG H 6.000 5.900 6.100 3.302 2.134 4.267 3.766 17 20 [-***************+***] 1
495 1 63 LYS QG 1 64 ARG HA 6.000 5.900 6.100 4.687 3.602 5.525 2.298 12 19 "[*********-*+***** **]" 1
496 1 64 ARG H 1 65 ASN H 6.000 5.900 6.100 4.435 4.047 4.633 1.853 13 20 [************+*-*****] 1
497 1 64 ARG HA 1 65 ASN H 6.000 5.900 6.100 2.198 2.099 2.661 3.801 8 20 [*******+***-********] 1
498 1 64 ARG HA 1 65 ASN HA 6.000 5.900 6.100 4.407 4.239 4.518 1.661 12 20 [***********+****-***] 1
499 1 64 ARG QB 1 65 ASN H 6.000 5.900 6.100 3.469 2.101 3.793 3.799 12 20 [*********-*+********] 1
500 1 64 ARG QG 1 65 ASN H 6.000 5.900 6.100 2.950 2.203 3.881 3.697 16 20 [************-**+****] 1
501 1 65 ASN H 1 66 ASP H 6.000 5.900 6.100 4.373 3.812 4.557 2.088 18 20 [************-****+**] 1
502 1 65 ASN HA 1 66 ASP H 6.000 5.900 6.100 2.379 2.182 2.528 3.718 9 20 [*-******+***********] 1
503 1 65 ASN QB 1 66 ASP H 6.000 5.900 6.100 2.973 2.157 3.870 3.743 2 20 [*+***************-**] 1
504 1 65 ASN QB 1 69 LYS QB 6.000 5.900 6.100 3.540 2.261 5.599 3.639 20 19 "[******** ********-*+]" 1
505 1 65 ASN QB 1 69 LYS QD 6.000 5.900 6.100 3.864 1.626 5.133 4.274 7 20 [******+**-**********] 1
506 1 65 ASN QB 1 69 LYS QG 6.000 5.900 6.100 4.093 3.065 5.137 2.835 3 20 [**+*-***************] 1
507 1 65 ASN QD 1 69 LYS HA 6.000 5.900 6.100 4.563 3.875 5.223 2.025 19 20 [**-***************+*] 1
508 1 65 ASN QD 1 69 LYS QB 6.000 5.900 6.100 2.470 1.891 3.640 4.009 19 20 [********-*********+*] 1
509 1 65 ASN QD 1 69 LYS QD 6.000 5.900 6.100 3.036 1.483 4.364 4.417 7 20 [*****-+*************] 1
510 1 65 ASN QD 1 69 LYS QG 6.000 5.900 6.100 3.017 1.987 4.077 3.913 9 20 [********+*****-*****] 1
511 1 65 ASN QD 1 71 LEU HA 6.000 5.900 6.100 3.624 2.112 5.238 3.788 1 20 [+*************-*****] 1
512 1 66 ASP H 1 67 ILE H 6.000 5.900 6.100 4.346 3.703 4.576 2.197 18 20 [**************-**+**] 1
513 1 66 ASP H 1 69 LYS H 6.000 5.900 6.100 5.701 4.474 6.116 1.426 13 3 "[- . 1 + . *2]" 1
514 1 66 ASP H 1 69 LYS QB 6.000 5.900 6.100 3.420 2.007 5.955 3.893 13 19 "[******-*****+**** **]" 1
515 1 66 ASP H 1 69 LYS QD 6.000 5.900 6.100 3.117 2.080 5.299 3.820 1 20 [+******************-] 1
516 1 66 ASP H 1 69 LYS QG 6.000 5.900 6.100 3.573 1.909 5.255 3.991 9 20 [***-****+***********] 1
517 1 66 ASP HA 1 67 ILE H 6.000 5.900 6.100 2.581 2.073 2.830 3.827 4 20 [***+**************-*] 1
518 1 66 ASP HA 1 67 ILE HA 6.000 5.900 6.100 4.279 4.053 4.397 1.847 18 20 [******-**********+**] 1
519 1 66 ASP QB 1 67 ILE H 6.000 5.900 6.100 2.384 1.674 3.899 4.226 14 20 [*************+***-**] 1
520 1 66 ASP QB 1 67 ILE QG 6.000 5.900 6.100 3.813 2.622 5.742 3.278 3 19 "[**+** **-***********]" 1
521 1 66 ASP QB 1 69 LYS H 6.000 5.900 6.100 5.333 4.017 5.840 1.883 13 12 "[*-**.* *** + ** * 2]" 1
522 1 67 ILE H 1 68 ASP H 6.000 5.900 6.100 4.184 2.162 4.596 3.738 4 20 [***+*-**************] 1
523 1 67 ILE H 1 69 LYS H 6.000 5.900 6.100 4.847 2.277 5.472 3.623 4 17 "[***+* ***1-**** ****]" 1
524 1 67 ILE HA 1 68 ASP H 6.000 5.900 6.100 2.416 2.145 3.456 3.755 19 20 [***-**************+*] 1
525 1 67 ILE HA 1 68 ASP HA 6.000 5.900 6.100 4.404 4.308 4.612 1.592 12 20 [***********+*******-] 1
526 1 67 ILE HA 1 69 LYS H 6.000 5.900 6.100 3.723 3.231 4.627 2.669 17 20 [***-************+***] 1
527 1 67 ILE HB 1 68 ASP H 6.000 5.900 6.100 3.148 1.963 4.221 3.937 20 20 [*****************-*+] 1
528 1 67 ILE QG 1 68 ASP QB 6.000 5.900 6.100 4.269 2.484 5.205 3.416 9 20 [********+*********-*] 1
529 1 68 ASP H 1 69 LYS H 6.000 5.900 6.100 2.710 2.216 2.935 3.684 4 20 [***+**-*************] 1
530 1 68 ASP HA 1 69 LYS H 6.000 5.900 6.100 2.678 2.550 2.790 3.350 20 20 [*******-***********+] 1
531 1 68 ASP QB 1 69 LYS H 6.000 5.900 6.100 3.907 3.854 4.034 2.046 8 20 [***-***+************] 1
532 1 69 LYS H 1 69 LYS QD 6.000 5.900 6.100 4.329 3.317 5.101 2.583 16 20 [********-******+****] 1
533 1 69 LYS H 1 70 PRO QD 6.000 5.900 6.100 4.191 3.995 4.328 1.905 15 20 [******-*******+*****] 1
534 1 69 LYS HA 1 70 PRO QD 6.000 5.900 6.100 1.803 1.701 1.965 4.199 20 20 [-******************+] 1
535 1 69 LYS QG 1 70 PRO QD 6.000 5.900 6.100 2.931 1.942 4.305 3.958 19 20 [**-***************+*] 1
536 1 70 PRO HA 1 71 LEU H 6.000 5.900 6.100 2.184 2.134 2.225 3.766 18 20 [*****************+*-] 1
537 1 70 PRO QB 1 71 LEU H 6.000 5.900 6.100 3.504 3.146 3.726 2.754 5 20 [****+**************-] 1
538 1 70 PRO QD 1 71 LEU H 6.000 5.900 6.100 4.669 4.392 4.920 1.508 13 20 [************+****-**] 1
539 1 70 PRO QG 1 71 LEU H 6.000 5.900 6.100 4.880 4.572 4.995 1.328 18 20 [**-**************+**] 1
540 1 71 LEU H 1 72 LYS H 6.000 5.900 6.100 4.261 3.585 4.524 2.315 17 20 [***************-+***] 1
541 1 71 LEU HA 1 72 LYS H 6.000 5.900 6.100 2.171 2.095 2.443 3.805 12 20 [***********+****-***] 1
542 1 71 LEU HA 1 72 LYS HA 6.000 5.900 6.100 4.368 4.229 4.415 1.671 10 20 [*********+-*********] 1
543 1 71 LEU QD 1 72 LYS H 6.000 5.900 6.100 2.984 2.133 4.109 3.767 10 20 [*-*******+**********] 1
544 1 71 LEU HG 1 72 LYS H 6.000 5.900 6.100 4.283 2.777 5.461 3.123 19 19 "[****-*********** *+*]" 1
545 1 72 LYS H 1 72 LYS QD 6.000 5.900 6.100 4.327 2.996 4.967 2.904 6 20 [*****+**********-***] 1
546 1 72 LYS H 1 72 LYS QE 6.000 5.900 6.100 4.879 2.970 6.025 2.930 6 13 "[*****+ * ** * -**2]" 1
547 1 72 LYS H 1 73 TYR H 6.000 5.900 6.100 4.322 3.945 4.565 1.955 17 20 [**********-*****+***] 1
548 1 72 LYS HA 1 72 LYS QE 6.000 5.900 6.100 4.213 1.807 5.353 4.093 15 20 [**************+***-*] 1
549 1 72 LYS HA 1 73 TYR H 6.000 5.900 6.100 2.233 2.087 2.561 3.813 8 20 [*******+-***********] 1
550 1 72 LYS HA 1 73 TYR HA 6.000 5.900 6.100 4.372 4.242 4.447 1.658 3 20 [**+****************-] 1
551 1 72 LYS HA 1 85 TRP HH2 6.000 5.900 6.100 4.809 1.751 6.214 4.149 17 11 "[* ** * * -*+***]" 1
552 1 72 LYS QG 1 73 TYR H 6.000 5.900 6.100 3.379 1.553 4.736 4.347 20 20 [*****-*************+] 1
553 1 76 TYR HA 1 76 TYR QE 6.000 5.900 6.100 4.713 4.012 5.662 1.888 15 15 "[*-*** * **** +** **]" 1
554 1 76 TYR QB 1 77 TYR H 6.000 5.900 6.100 3.386 1.934 3.992 3.966 4 20 [***+****-***********] 1
555 1 77 TYR HA 1 78 THR H 6.000 5.900 6.100 2.952 2.119 3.581 3.781 9 20 [********+******-****] 1
556 1 77 TYR QB 1 78 THR H 6.000 5.900 6.100 2.611 1.437 3.799 4.463 18 20 [**********-******+**] 1
557 1 83 TRP HA 1 84 ILE H 6.000 5.900 6.100 2.325 2.145 2.519 3.755 17 20 [********-*******+***] 1
558 1 83 TRP HA 1 84 ILE MG 6.000 5.900 6.100 4.342 3.623 4.967 2.277 9 20 [********+*********-*] 1
559 1 83 TRP QB 1 84 ILE H 6.000 5.900 6.100 2.665 2.219 3.459 3.681 15 20 [**************+*-***] 1
560 1 84 ILE HA 1 85 TRP H 6.000 5.900 6.100 2.242 2.147 2.352 3.753 2 20 [*+************-*****] 1
561 1 84 ILE QG 1 85 TRP H 6.000 5.900 6.100 2.534 1.987 4.140 3.913 17 20 [****************+-**] 1
562 1 84 ILE QG 1 86 LYS H 6.000 5.900 6.100 4.933 3.198 6.037 2.702 9 14 "[** *. **+**** **-* 2]" 1
563 1 84 ILE MG 1 85 TRP H 6.000 5.900 6.100 3.229 2.640 3.958 3.260 13 20 [********-***+*******] 1
564 1 84 ILE MG 1 118 VAL QG 6.000 5.900 6.100 4.660 2.404 5.497 3.496 6 18 "[*****+*****-* .*****]" 1
565 1 85 TRP H 1 85 TRP HD1 6.000 5.900 6.100 3.667 2.527 5.283 3.373 7 20 [******+*****-*******] 1
566 1 85 TRP H 1 86 LYS H 6.000 5.900 6.100 4.238 3.998 4.592 1.902 12 20 [**********-+********] 1
567 1 85 TRP HA 1 86 LYS H 6.000 5.900 6.100 2.237 2.158 2.345 3.742 7 20 [******+***-*********] 1
568 1 85 TRP QB 1 86 LYS H 6.000 5.900 6.100 3.489 2.615 3.914 3.285 11 20 [**********+*-*******] 1
569 1 85 TRP HD1 1 99 LEU QD 6.000 5.900 6.100 3.213 2.047 4.345 3.853 10 20 [*********+***-******] 1
570 1 85 TRP HD1 1 101 ALA MB 6.000 5.900 6.100 4.475 2.500 6.201 3.400 14 18 "[************-+.* ***]" 1
571 1 85 TRP HE1 1 101 ALA MB 6.000 5.900 6.100 3.426 2.233 4.622 3.667 10 20 [*********+******-***] 1
572 1 85 TRP HE3 1 86 LYS H 6.000 5.900 6.100 3.793 3.128 5.009 2.772 20 20 [****************-**+] 1
573 1 85 TRP HZ2 1 101 ALA MB 6.000 5.900 6.100 4.236 3.107 4.929 2.793 10 20 [*********+*******-**] 1
574 1 86 LYS H 1 86 LYS QD 6.000 5.900 6.100 4.609 4.328 4.975 1.572 14 20 [*************+**-***] 1
575 1 86 LYS H 1 87 ILE H 6.000 5.900 6.100 4.290 3.791 4.584 2.109 11 20 [**********+****-****] 1
576 1 86 LYS H 1 87 ILE HB 6.000 5.900 6.100 6.558 5.704 7.107 1.007 15 11 "[ *. ***1 -**+* * *]" 1
577 1 86 LYS HA 1 87 ILE H 6.000 5.900 6.100 2.141 2.097 2.224 3.803 17 20 [***************-+***] 1
578 1 86 LYS HA 1 87 ILE HB 6.000 5.900 6.100 4.737 4.176 5.517 1.724 17 19 [********-*****.*+***] 1
579 1 86 LYS HA 1 87 ILE MD 6.000 5.900 6.100 4.731 3.524 5.567 2.376 5 19 "[****+****-****** ***]" 1
580 1 86 LYS QB 1 87 ILE H 6.000 5.900 6.100 3.751 3.499 3.967 2.401 16 20 [*********-*****+****] 1
581 1 86 LYS QD 1 87 ILE H 6.000 5.900 6.100 4.583 2.997 5.706 2.903 15 19 "[********-* ***+*****]" 1
582 1 87 ILE HA 1 88 LYS H 6.000 5.900 6.100 2.148 2.101 2.214 3.799 18 20 [************-****+**] 1
583 1 87 ILE HB 1 97 TYR QD 6.000 5.900 6.100 4.858 3.312 5.708 2.588 16 17 "[* ***** ***-***+ ***]" 1
584 1 87 ILE HB 1 97 TYR QE 6.000 5.900 6.100 4.726 2.634 5.481 3.266 16 17 "[ ************-+ ***]" 1
585 1 87 ILE MD 1 88 LYS H 6.000 5.900 6.100 5.306 4.038 5.582 1.862 20 8 "[ ** * * **-+]" 1
586 1 87 ILE MD 1 97 TYR HA 6.000 5.900 6.100 5.668 4.640 6.060 1.260 6 6 "[* .+* ** . - 2]" 1
587 1 87 ILE MD 1 97 TYR QB 6.000 5.900 6.100 3.393 2.431 3.796 3.469 6 20 [*****+*-************] 1
588 1 87 ILE MD 1 97 TYR QD 6.000 5.900 6.100 3.076 2.592 3.409 3.308 6 20 [*****+*********-****] 1
589 1 87 ILE MD 1 97 TYR QE 6.000 5.900 6.100 3.024 2.495 3.581 3.405 8 20 [*******+********-***] 1
590 1 87 ILE MD 1 99 LEU H 6.000 5.900 6.100 5.116 4.316 6.118 1.584 6 15 "[* ***+******* .* *-]" 1
591 1 87 ILE MD 1 99 LEU HA 6.000 5.900 6.100 5.342 4.363 6.184 1.537 11 9 "[* .** *+* ** -2]" 1
592 1 87 ILE MD 1 99 LEU QB 6.000 5.900 6.100 3.422 2.572 4.295 3.328 16 20 [***************+-***] 1
593 1 87 ILE MD 1 99 LEU HG 6.000 5.900 6.100 4.546 2.006 6.694 3.894 16 17 "[* **.**********+-**2]" 1
594 1 87 ILE MG 1 88 LYS H 6.000 5.900 6.100 3.159 2.893 3.625 3.007 18 20 [**************-**+**] 1
595 1 87 ILE MG 1 88 LYS HA 6.000 5.900 6.100 3.979 3.213 5.094 2.687 17 20 [**************-*+***] 1
596 1 87 ILE MG 1 97 TYR QB 6.000 5.900 6.100 3.197 2.477 5.326 3.423 11 20 [**********+*****-***] 1
597 1 87 ILE MG 1 97 TYR QD 6.000 5.900 6.100 3.289 1.886 4.525 4.014 16 20 [***************+-***] 1
598 1 87 ILE MG 1 97 TYR QE 6.000 5.900 6.100 3.997 2.578 4.779 3.322 20 20 [**************-****+] 1
599 1 88 LYS H 1 88 LYS QD 6.000 5.900 6.100 4.361 3.654 4.755 2.246 18 20 [**-**************+**] 1
600 1 88 LYS HA 1 89 ASN H 6.000 5.900 6.100 2.163 2.099 2.224 3.801 2 20 [*+*************-****] 1
601 1 88 LYS HA 1 89 ASN QB 6.000 5.900 6.100 4.103 3.877 4.520 2.023 12 20 [**********-+********] 1
602 1 88 LYS QB 1 89 ASN H 6.000 5.900 6.100 3.673 3.007 3.982 2.893 15 20 [**********-***+*****] 1
603 1 89 ASN HA 1 90 ASN H 6.000 5.900 6.100 2.234 2.089 2.555 3.811 13 20 [************+****-**] 1
604 1 89 ASN HA 1 91 SER H 6.000 5.900 6.100 3.996 3.346 5.228 2.554 17 20 [***************-+***] 1
605 1 89 ASN QB 1 90 ASN H 6.000 5.900 6.100 3.353 2.436 3.844 3.464 19 20 [***************-**+*] 1
606 1 89 ASN QB 1 91 SER H 6.000 5.900 6.100 3.715 2.495 4.779 3.405 17 20 [***************-+***] 1
607 1 89 ASN QD 1 91 SER QB 6.000 5.900 6.100 3.289 1.858 5.424 4.042 5 19 "[****+*******-** ****]" 1
608 1 89 ASN QD 1 94 THR HA 6.000 5.900 6.100 4.152 3.083 5.429 2.817 16 19 "[***************+* *-]" 1
609 1 89 ASN QD 1 95 SER QB 6.000 5.900 6.100 2.952 2.213 3.687 3.687 20 20 [*************-*****+] 1
610 1 90 ASN H 1 91 SER H 6.000 5.900 6.100 2.357 1.836 4.195 4.064 7 20 [******+********-****] 1
611 1 90 ASN HA 1 91 SER H 6.000 5.900 6.100 3.428 3.199 3.571 2.701 19 20 [*****************-+*] 1
612 1 90 ASN QB 1 91 SER H 6.000 5.900 6.100 2.937 1.482 3.737 4.418 16 20 [***************+-***] 1
613 1 90 ASN QD 1 91 SER H 6.000 5.900 6.100 4.640 2.890 5.379 3.010 8 20 [*******+**-*********] 1
614 1 91 SER H 1 92 SER H 6.000 5.900 6.100 4.405 3.340 4.625 2.560 12 20 [********-**+********] 1
615 1 91 SER HA 1 92 SER H 6.000 5.900 6.100 2.441 2.133 3.433 3.767 5 20 [****+******-********] 1
616 1 91 SER QB 1 92 SER H 6.000 5.900 6.100 2.702 1.549 3.809 4.351 13 20 [************+***-***] 1
617 1 92 SER H 1 93 GLU H 6.000 5.900 6.100 2.696 1.940 4.625 3.960 12 20 [***********+*******-] 1
618 1 92 SER HA 1 93 GLU H 6.000 5.900 6.100 3.206 2.213 3.528 3.687 18 20 [-****************+**] 1
619 1 92 SER QB 1 93 GLU H 6.000 5.900 6.100 3.289 1.941 3.958 3.959 13 20 [***********-+*******] 1
620 1 92 SER QB 1 93 GLU HA 6.000 5.900 6.100 4.103 3.799 4.475 2.101 1 20 [+****************-**] 1
621 1 93 GLU H 1 94 THR H 6.000 5.900 6.100 4.429 3.526 4.592 2.374 20 20 [-******************+] 1
622 1 93 GLU HA 1 94 THR H 6.000 5.900 6.100 2.397 2.156 2.684 3.744 14 20 [************-+******] 1
623 1 93 GLU QB 1 94 THR H 6.000 5.900 6.100 2.798 2.263 4.006 3.637 13 20 [************+******-] 1
624 1 95 SER HA 1 96 ASN H 6.000 5.900 6.100 2.217 2.109 2.485 3.791 20 20 [***************-***+] 1
625 1 95 SER HA 1 96 ASN QB 6.000 5.900 6.100 4.084 3.893 4.541 2.007 11 20 [*****-****+*********] 1
626 1 95 SER QB 1 96 ASN H 6.000 5.900 6.100 3.045 2.391 3.683 3.509 16 20 [***************+*-**] 1
627 1 96 ASN HA 1 97 TYR H 6.000 5.900 6.100 2.158 2.113 2.217 3.787 6 20 [**-**+**************] 1
628 1 96 ASN HA 1 97 TYR HA 6.000 5.900 6.100 4.379 4.346 4.402 1.554 16 20 [**-************+****] 1
629 1 96 ASN HA 1 97 TYR QD 6.000 5.900 6.100 3.936 3.243 4.399 2.657 8 20 [*******+*******-****] 1
630 1 96 ASN HA 1 97 TYR QE 6.000 5.900 6.100 5.156 4.658 5.534 1.242 6 16 "[ ***+********* -**2]" 1
631 1 96 ASN QB 1 97 TYR H 6.000 5.900 6.100 3.625 3.034 3.891 2.866 19 20 [******************+-] 1
632 1 97 TYR H 1 97 TYR QE 6.000 5.900 6.100 4.167 3.923 4.376 1.977 9 20 [********+*-*********] 1
633 1 97 TYR HA 1 97 TYR QE 6.000 5.900 6.100 5.679 5.657 5.699 0.243 6 0 "[ . 1 . 2]" 1
634 1 97 TYR HA 1 98 SER H 6.000 5.900 6.100 2.226 2.096 2.369 3.804 3 20 [**+*************-***] 1
635 1 97 TYR QB 1 98 SER H 6.000 5.900 6.100 2.845 2.509 3.209 3.391 17 20 [**-*************+***] 1
636 1 97 TYR QB 1 98 SER HA 6.000 5.900 6.100 4.346 4.077 4.537 1.823 6 20 [**-**+**************] 1
637 1 97 TYR QD 1 98 SER HA 6.000 5.900 6.100 3.610 2.948 4.074 2.952 17 20 [*******-********+***] 1
638 1 97 TYR QD 1 98 SER QB 6.000 5.900 6.100 5.078 4.523 5.449 1.377 17 17 "[** **** ********+ -*]" 1
639 1 97 TYR QD 1 99 LEU H 6.000 5.900 6.100 2.778 2.271 3.789 3.629 17 20 [***************-+***] 1
640 1 97 TYR QE 1 98 SER HA 6.000 5.900 6.100 5.126 4.367 5.631 1.533 17 15 "[*** *-* *1******+ *]" 1
641 1 97 TYR QE 1 99 LEU H 6.000 5.900 6.100 4.011 3.058 4.798 2.842 17 20 [*********-******+***] 1
642 1 97 TYR QE 1 99 LEU QD 6.000 5.900 6.100 3.751 1.968 5.416 3.932 15 19 "[*********-****+ ****]" 1
643 1 98 SER H 1 99 LEU H 6.000 5.900 6.100 3.882 3.626 4.084 2.274 8 20 [*******+*********-**] 1
644 1 98 SER HA 1 99 LEU H 6.000 5.900 6.100 2.215 2.140 2.327 3.760 16 20 [*****-*********+****] 1
645 1 98 SER QB 1 99 LEU H 6.000 5.900 6.100 3.743 3.590 4.018 2.310 2 20 [-+******************] 1
646 1 99 LEU H 1 100 ASP H 6.000 5.900 6.100 4.274 4.145 4.533 1.755 16 20 [**************-+****] 1
647 1 99 LEU HA 1 100 ASP H 6.000 5.900 6.100 2.182 2.109 2.341 3.791 14 20 [*************+-*****] 1
648 1 99 LEU HA 1 100 ASP HA 6.000 5.900 6.100 4.402 4.121 4.439 1.779 15 20 [********-*****+*****] 1
649 1 99 LEU QD 1 100 ASP H 6.000 5.900 6.100 2.885 2.056 3.381 3.844 15 20 [**************+**-**] 1
650 1 100 ASP H 1 101 ALA H 6.000 5.900 6.100 4.154 3.677 4.580 2.223 7 20 [******+-************] 1
651 1 100 ASP HA 1 101 ALA H 6.000 5.900 6.100 2.209 2.013 2.299 3.887 17 20 [**-*************+***] 1
652 1 100 ASP QB 1 101 ALA H 6.000 5.900 6.100 3.594 2.426 3.972 3.474 15 20 [*************-+*****] 1
653 1 101 ALA HA 1 102 THR H 6.000 5.900 6.100 2.277 2.128 2.668 3.772 18 20 [****************-+**] 1
654 1 103 VAL HA 1 104 HIS H 6.000 5.900 6.100 2.319 2.120 2.608 3.780 19 20 [*********-********+*] 1
655 1 103 VAL HA 1 105 ASP H 6.000 5.900 6.100 4.764 3.829 6.265 2.071 17 15 "[ ******* 1*** -*+**2]" 1
656 1 103 VAL HB 1 104 HIS H 6.000 5.900 6.100 3.537 2.388 4.337 3.512 13 20 [************+*****-*] 1
657 1 103 VAL QG 1 104 HIS H 6.000 5.900 6.100 2.490 1.634 3.600 4.266 15 20 [*******-******+*****] 1
658 1 103 VAL QG 1 105 ASP H 6.000 5.900 6.100 3.327 1.887 4.968 4.013 18 20 [*******-*********+**] 1
659 1 104 HIS H 1 104 HIS HD2 6.000 5.900 6.100 4.792 3.464 5.907 2.436 19 18 "[*********1***** *-+*]" 1
660 1 104 HIS QB 1 105 ASP H 6.000 5.900 6.100 3.236 1.476 4.046 4.424 14 20 [***********-*+******] 1
661 1 105 ASP HA 1 106 ASP H 6.000 5.900 6.100 2.613 2.113 3.564 3.787 2 20 [*+***************-**] 1
662 1 105 ASP QB 1 106 ASP H 6.000 5.900 6.100 2.916 1.461 3.915 4.439 6 20 [*****+**-***********] 1
663 1 106 ASP HA 1 107 LYS H 6.000 5.900 6.100 2.882 2.108 3.656 3.792 3 20 [**+**********-******] 1
664 1 106 ASP QB 1 107 LYS H 6.000 5.900 6.100 3.197 2.043 4.043 3.857 5 20 [****+*******-*******] 1
665 1 107 LYS H 1 107 LYS QD 6.000 5.900 6.100 4.483 2.752 5.231 3.148 5 20 [**-*+***************] 1
666 1 107 LYS HA 1 107 LYS QE 6.000 5.900 6.100 4.232 2.179 5.574 3.721 19 19 "[* ********-*******+*]" 1
667 1 107 LYS HA 1 108 GLU H 6.000 5.900 6.100 2.779 2.148 3.514 3.752 10 20 [******-**+**********] 1
668 1 111 ASP H 1 112 VAL H 6.000 5.900 6.100 3.311 1.907 4.615 3.993 11 20 [**********+-********] 1
669 1 111 ASP HA 1 112 VAL H 6.000 5.900 6.100 2.831 2.048 3.557 3.852 1 20 [+************-******] 1
670 1 114 THR H 1 115 LYS H 6.000 5.900 6.100 3.444 2.154 4.644 3.746 11 20 [********-*+*********] 1
671 1 114 THR HB 1 115 LYS H 6.000 5.900 6.100 3.459 1.706 4.396 4.194 9 20 [********+*******-***] 1
672 1 115 LYS H 1 115 LYS QD 6.000 5.900 6.100 4.308 3.612 5.297 2.288 9 20 [********+*********-*] 1
673 1 115 LYS H 1 116 CYS H 6.000 5.900 6.100 3.577 1.752 4.617 4.148 1 20 [+*********-*********] 1
674 1 115 LYS QB 1 116 CYS H 6.000 5.900 6.100 3.193 1.464 4.040 4.436 11 20 [****-*****+*********] 1
675 1 115 LYS QD 1 116 CYS H 6.000 5.900 6.100 4.378 2.323 5.552 3.577 6 17 "[****.+ ******** ***-]" 1
676 1 115 LYS QG 1 116 CYS H 6.000 5.900 6.100 3.767 2.851 4.739 3.049 12 20 [***-*******+********] 1
stop_
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