NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561573 |
2lut   |
18540 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lut
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 823
_Distance_constraint_stats_list.Viol_count 8218
_Distance_constraint_stats_list.Viol_total 127496.648
_Distance_constraint_stats_list.Viol_max 3.805
_Distance_constraint_stats_list.Viol_rms 1.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 1.5492
_Distance_constraint_stats_list.Viol_average_violations_only 1.5514
_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 5 LYS 2.249 0.231 5 0 "[ . 1]"
1 15 GLY 24.689 2.259 3 10 [*-+*******]
1 16 ALA 68.511 2.270 5 10 [***-+*****]
1 17 ASP 53.220 2.270 5 10 [***-+*****]
1 18 CYS 138.636 3.782 4 10 [***+*-****]
1 19 ALA 150.852 3.708 2 10 [*+******-*]
1 20 GLU 247.978 3.505 3 10 [*-+*******]
1 21 TRP 621.142 3.782 4 10 [*-*+******]
1 22 LEU 300.035 3.637 8 10 [***-***+**]
1 23 TYR 441.933 3.731 7 10 [*****-+***]
1 24 GLY 149.127 3.776 7 10 [****-*+***]
1 25 SER 93.219 3.669 8 10 [*******+-*]
1 26 CYS 152.101 3.651 6 10 [*****+**-*]
1 27 VAL 298.050 3.715 9 10 [*****-**+*]
1 28 ALA 406.944 3.721 7 10 [****-*+***]
1 29 ASN 137.804 3.710 7 10 [******+**-]
1 30 ASN 104.407 3.771 7 10 [******+*-*]
1 31 GLY 91.802 3.702 2 10 [*+******-*]
1 32 ASP 151.099 3.771 7 10 [*-****+***]
1 33 CYS 264.280 3.776 9 10 [*****-**+*]
1 34 GLY 128.501 3.264 7 10 [*****-+***]
1 35 GLN 200.480 3.296 9 10 [-*******+*]
1 36 GLY 295.513 3.760 10 10 [********-+]
1 37 MET 391.170 3.718 10 10 [*****-***+]
1 38 ARG 309.141 3.066 10 10 [******-**+]
1 39 GLU 297.158 3.651 6 10 [-****+****]
1 40 GLY 334.987 3.740 10 10 [*****-***+]
1 41 THR 390.833 3.805 7 10 [******+***]
1 42 CYS 239.427 3.170 6 10 [*-***+****]
1 43 ASN 134.886 3.637 8 10 [*****-*+**]
1 44 GLU 151.045 3.044 1 10 [+*-*******]
1 45 GLN 480.007 3.805 7 10 [**-***+***]
1 46 THR 311.860 3.740 10 10 [*****-***+]
1 47 ARG 474.329 3.734 4 10 [***+-*****]
1 48 LYS 287.166 3.574 10 10 [-********+]
1 49 VAL 320.224 3.556 4 10 [***+****-*]
1 50 LYS 408.617 3.760 10 10 [-********+]
1 51 CYS 246.399 3.493 6 10 [***-*+****]
1 52 ARG 239.261 3.296 9 10 [***-****+*]
1 53 VAL 433.382 3.776 9 10 [*****-**+*]
1 54 PRO 63.876 2.965 8 10 [*******+-*]
1 55 CYS 4.172 0.481 8 0 "[ . 1]"
1 56 ASN 28.502 2.210 1 10 [+**-******]
1 57 TRP 173.236 3.514 10 10 [*******-*+]
1 58 LYS 41.676 3.074 7 10 [******+-**]
1 59 LYS 63.534 3.190 1 10 [+**-******]
1 60 GLU 63.534 3.190 1 10 [+**-******]
1 61 PHE 22.285 2.143 2 10 [*+*****-**]
1 62 GLY 22.285 2.143 2 10 [*+*****-**]
1 63 ALA 42.684 3.793 10 10 [****-****+]
1 64 ASP 45.634 2.832 10 10 [****-****+]
1 65 CYS 97.942 3.793 10 10 [****-****+]
1 67 TYR 427.163 3.641 7 10 [***-**+***]
1 68 LYS 213.689 3.320 9 10 [***-****+*]
1 69 PHE 221.828 3.320 9 10 [********+*]
1 70 GLY 130.117 3.754 5 10 [****+*-***]
1 71 ASN 60.700 2.392 3 10 [**+***-***]
1 72 TRP 314.445 3.707 10 10 [**-******+]
1 73 GLY 191.521 3.787 9 10 [***-****+*]
1 74 GLU 75.231 2.673 3 10 [**+*******]
1 75 CYS 79.697 3.666 10 10 [-********+]
1 76 ASP 196.192 3.313 4 10 [***+***-**]
1 77 ALA 370.610 3.502 4 10 [***+***-**]
1 78 ALA 317.012 3.730 4 10 [***+*****-]
1 79 THR 427.683 3.784 1 10 [+*******-*]
1 80 SER 330.139 3.730 4 10 [***+****-*]
1 81 THR 511.720 3.712 8 10 [*******+-*]
1 82 LYS 542.764 3.491 8 10 [***-***+**]
1 83 SER 468.754 3.707 10 10 [***-*****+]
1 84 ARG 419.006 3.787 9 10 [*******-+*]
1 85 THR 412.475 3.754 5 10 [****+**-**]
1 86 GLY 301.373 3.780 8 10 [*******+**]
1 87 THR 523.075 3.732 2 10 [*+**-*****]
1 88 LEU 652.187 3.503 10 10 [***-*****+]
1 89 GLN 247.581 3.597 8 10 [**-****+**]
1 90 LYS 427.395 3.503 10 10 [-********+]
1 91 ALA 192.422 3.706 2 10 [*+-*******]
1 92 LEU 260.188 3.429 2 10 [-+********]
1 93 PHE 157.616 3.702 8 10 [-******+**]
1 94 ASN 48.248 2.744 3 10 [**+-******]
1 95 VAL 190.577 3.706 2 10 [*+****-***]
1 96 GLU 162.333 3.045 1 10 [+*****-***]
1 97 CYS 122.321 2.814 9 10 [********+-]
1 98 GLN 122.142 2.807 10 10 [*********+]
1 99 GLN 318.836 3.451 2 10 [*+*******-]
1 100 THR 411.632 3.791 2 10 [*+-*******]
1 101 VAL 629.520 3.791 2 10 [*+-*******]
1 102 SER 240.029 3.595 8 10 [*******+**]
1 103 VAL 500.807 3.642 7 10 [******+*-*]
1 104 THR 360.423 3.518 8 10 [***-***+**]
1 105 LYS 328.361 3.710 8 10 [*******+-*]
1 106 PRO 289.842 3.243 4 10 [***+****-*]
1 107 CYS 220.383 3.120 1 10 [+*-*******]
1 108 THR 80.933 3.784 1 10 [+****-****]
1 109 THR 113.167 3.491 8 10 [*-*****+**]
1 110 LYS 140.487 3.491 8 10 [***-***+**]
1 111 VAL 105.281 2.756 10 10 [***-*****+]
1 112 LYS 70.918 3.183 2 10 [*+****-***]
1 113 ASN 18.305 2.105 1 10 [+****-****]
1 114 LYS 43.126 2.357 6 10 [*****+****]
1 115 PRO 73.986 2.596 5 10 [****+*-***]
1 116 LYS 81.156 2.596 5 10 [****+-****]
1 117 GLY 9.313 0.920 10 4 "[ *-* +]"
1 118 LYS 27.643 1.770 6 10 [-****+****]
1 119 LYS 23.168 1.770 6 10 [*****+-***]
1 120 GLY 22.622 1.740 7 10 [******+-**]
1 121 LYS 23.059 1.672 2 10 [-+********]
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 5 LYS QB 1 5 LYS QG . . 1.800 2.025 2.006 2.031 0.231 5 0 "[ . 1]" 1
2 1 15 GLY QA 1 16 ALA H . . 1.800 2.321 2.109 2.768 0.968 3 3 "[ -+ .* 1]" 1
3 1 15 GLY QA 1 16 ALA MB . . 1.800 3.748 3.514 4.059 2.259 3 10 [**+-******] 1
4 1 16 ALA H 1 16 ALA MB . . 1.800 2.596 2.087 2.931 1.131 2 7 "[*+-*.** *1]" 1
5 1 16 ALA HA 1 17 ASP H . . 1.800 2.664 2.223 3.549 1.749 2 9 [*+*-*****1] 1
6 1 16 ALA MB 1 17 ASP H . . 1.800 2.729 1.967 3.719 1.919 6 8 "[- **+****]" 1
7 1 16 ALA MB 1 17 ASP QB . . 1.800 3.592 2.905 4.070 2.270 5 10 [*-**+*****] 1
8 1 17 ASP HA 1 18 CYS H . . 1.800 2.506 2.153 3.554 1.754 8 7 "[** *.- +**]" 1
9 1 17 ASP QB 1 18 CYS H . . 1.800 2.830 1.946 3.920 2.120 7 6 "[ ***-+ *]" 1
10 1 18 CYS HA 1 19 ALA H . . 1.800 2.799 2.140 3.495 1.695 5 5 "[* + **-]" 1
11 1 18 CYS HA 1 19 ALA MB . . 1.800 3.906 3.760 4.025 2.225 4 10 [-**+******] 1
12 1 18 CYS HA 1 21 TRP HH2 . . 1.800 5.534 5.452 5.582 3.782 4 10 [***+**-***] 1
13 1 18 CYS QB 1 19 ALA H . . 1.800 3.265 2.801 3.780 1.980 2 10 [*+**-*****] 1
14 1 18 CYS QB 1 21 TRP HD1 . . 1.800 4.221 3.810 4.875 3.075 7 10 [******+-**] 1
15 1 18 CYS QB 1 21 TRP HZ2 . . 1.800 3.203 2.666 3.690 1.890 7 10 [******+*-*] 1
16 1 19 ALA H 1 19 ALA MB . . 1.800 2.509 2.034 2.906 1.106 1 5 "[+ * **-]" 1
17 1 19 ALA H 1 20 GLU H . . 1.800 3.020 2.582 4.363 2.563 9 10 [**-*****+*] 1
18 1 19 ALA HA 1 21 TRP HD1 . . 1.800 5.018 3.011 5.508 3.708 2 10 [*+******-*] 1
19 1 19 ALA MB 1 20 GLU H . . 1.800 2.944 2.045 3.492 1.692 10 8 "[*** * **-+]" 1
20 1 19 ALA MB 1 20 GLU QB . . 1.800 3.399 3.163 3.645 1.845 2 10 [*+***-****] 1
21 1 19 ALA MB 1 20 GLU QG . . 1.800 4.426 3.238 5.053 3.253 5 10 [*-**+*****] 1
22 1 20 GLU H 1 20 GLU QG . . 1.800 3.591 1.998 4.546 2.746 1 8 "[+ ******-]" 1
23 1 20 GLU H 1 21 TRP H . . 1.800 3.310 2.525 4.111 2.311 4 10 [***+*****-] 1
24 1 20 GLU HA 1 20 GLU QG . . 1.800 2.787 2.140 3.428 1.628 9 6 "[*** .- +*]" 1
25 1 20 GLU HA 1 21 TRP H . . 1.800 2.392 2.206 2.670 0.870 9 6 "[*- * *+*]" 1
26 1 20 GLU HA 1 21 TRP HD1 . . 1.800 4.792 4.163 5.305 3.505 3 10 [**+*****-*] 1
27 1 20 GLU QB 1 20 GLU QG . . 1.800 2.024 1.955 2.037 0.237 10 0 "[ . 1]" 1
28 1 20 GLU QB 1 21 TRP H . . 1.800 3.968 3.807 4.052 2.252 1 10 [+*-*******] 1
29 1 20 GLU QB 1 22 LEU QD . . 1.800 3.354 2.704 4.103 2.303 1 10 [+*-*******] 1
30 1 20 GLU QG 1 21 TRP H . . 1.800 3.980 3.381 4.415 2.615 2 10 [*+*-******] 1
31 1 20 GLU QG 1 21 TRP HA . . 1.800 4.648 3.958 5.092 3.292 5 10 [****+***-*] 1
32 1 20 GLU QG 1 22 LEU QD . . 1.800 3.164 2.317 3.927 2.127 4 10 [***+***-**] 1
33 1 21 TRP H 1 21 TRP HD1 . . 1.800 2.824 1.933 3.359 1.559 3 9 "[-*+***** *]" 1
34 1 21 TRP HA 1 21 TRP HD1 . . 1.800 4.276 3.815 4.445 2.645 7 10 [******+*-*] 1
35 1 21 TRP HA 1 22 LEU H . . 1.800 2.154 2.140 2.178 0.378 9 0 "[ . 1]" 1
36 1 21 TRP HA 1 22 LEU QB . . 1.800 4.485 4.133 4.733 2.933 10 10 [**-******+] 1
37 1 21 TRP HA 1 22 LEU QD . . 1.800 3.091 2.537 3.504 1.704 6 10 [*****+-***] 1
38 1 21 TRP QB 1 22 LEU H . . 1.800 3.214 3.040 3.354 1.554 6 10 [*****+**-*] 1
39 1 21 TRP QB 1 23 TYR QE . . 1.800 2.366 1.957 2.724 0.924 10 6 "[ **.- **+]" 1
40 1 21 TRP HE3 1 41 THR H . . 1.800 4.813 4.184 5.268 3.468 9 10 [********+-] 1
41 1 21 TRP HE3 1 42 CYS H . . 1.800 3.701 3.202 4.339 2.539 6 10 [*****+***-] 1
42 1 21 TRP HE3 1 47 ARG H . . 1.800 4.784 3.960 5.534 3.734 4 10 [***+*****-] 1
43 1 21 TRP HH2 1 45 GLN HA . . 1.800 5.001 4.630 5.546 3.746 8 10 [*-*****+**] 1
44 1 21 TRP HH2 1 45 GLN QB . . 1.800 2.459 2.094 2.914 1.114 10 7 "[ *-.****+]" 1
45 1 21 TRP HH2 1 45 GLN QG . . 1.800 4.293 3.972 4.799 2.999 10 10 [-********+] 1
46 1 21 TRP HH2 1 47 ARG QB . . 1.800 3.685 2.931 3.879 2.079 8 10 [*******+*-] 1
47 1 21 TRP HH2 1 47 ARG QG . . 1.800 4.943 3.266 5.306 3.506 7 10 [******+-**] 1
48 1 21 TRP HZ2 1 45 GLN QB . . 1.800 4.499 4.145 4.947 3.147 8 10 [-******+**] 1
49 1 21 TRP HZ2 1 47 ARG QD . . 1.800 4.129 3.290 5.284 3.484 10 10 [******-**+] 1
50 1 21 TRP HZ3 1 42 CYS H . . 1.800 2.975 2.487 3.587 1.787 6 10 [*-***+****] 1
51 1 21 TRP HZ3 1 47 ARG H . . 1.800 4.323 3.493 4.641 2.841 3 10 [**+******-] 1
52 1 21 TRP HZ3 1 47 ARG QB . . 1.800 3.033 2.722 3.329 1.529 7 10 [******+*-*] 1
53 1 22 LEU H 1 22 LEU QB . . 1.800 2.764 2.283 3.001 1.201 1 9 "[+* ****-**]" 1
54 1 22 LEU H 1 22 LEU QD . . 1.800 2.340 1.992 2.689 0.889 3 6 "[ +-** * *]" 1
55 1 22 LEU H 1 22 LEU HG . . 1.800 2.898 1.941 4.425 2.625 3 4 "[ + . -**1]" 1
56 1 22 LEU H 1 23 TYR H . . 1.800 4.256 4.205 4.381 2.581 6 10 [**-**+****] 1
57 1 22 LEU H 1 41 THR H . . 1.800 4.593 3.563 5.290 3.490 1 10 [+********-] 1
58 1 22 LEU H 1 42 CYS HA . . 1.800 3.716 2.934 4.598 2.798 6 10 [*****+***-] 1
59 1 22 LEU HA 1 22 LEU QD . . 1.800 2.759 1.982 3.452 1.652 6 6 "[** **+ -]" 1
60 1 22 LEU HA 1 23 TYR H . . 1.800 2.151 2.143 2.158 0.358 3 0 "[ . 1]" 1
61 1 22 LEU QB 1 22 LEU QD . . 1.800 1.911 1.798 2.043 0.243 3 0 "[ . 1]" 1
62 1 22 LEU QB 1 23 TYR H . . 1.800 3.452 3.239 3.595 1.795 3 10 [**+**-****] 1
63 1 22 LEU QB 1 41 THR MG . . 1.800 4.593 2.721 5.300 3.500 7 10 [******+**-] 1
64 1 22 LEU MD1 1 22 LEU MD2 . . 1.800 2.062 2.012 2.088 0.288 5 0 "[ . 1]" 1
65 1 22 LEU QD 1 22 LEU HG . . 1.800 1.886 1.875 1.895 0.095 5 0 "[ . 1]" 1
66 1 22 LEU QD 1 23 TYR H . . 1.800 4.036 3.154 4.522 2.722 4 10 [**-+******] 1
67 1 22 LEU QD 1 43 ASN HA . . 1.800 4.924 3.847 5.437 3.637 8 10 [*******+*-] 1
68 1 23 TYR H 1 23 TYR QD . . 1.800 2.298 2.110 2.470 0.670 5 6 "[** +-* *1]" 1
69 1 23 TYR HA 1 23 TYR QD . . 1.800 3.379 3.156 3.660 1.860 2 10 [*+-*******] 1
70 1 23 TYR HA 1 24 GLY H . . 1.800 2.382 2.164 2.438 0.638 3 8 "[**+ - ****]" 1
71 1 23 TYR HA 1 40 GLY H . . 1.800 5.076 4.359 5.531 3.731 7 10 [******+-**] 1
72 1 23 TYR HA 1 40 GLY QA . . 1.800 2.419 1.854 2.944 1.144 2 6 "[*+ **-* 1]" 1
73 1 23 TYR HA 1 41 THR H . . 1.800 3.167 2.730 3.793 1.993 2 10 [*+******-*] 1
74 1 23 TYR QB 1 24 GLY H . . 1.800 2.581 2.436 3.133 1.333 4 10 [*-*+******] 1
75 1 23 TYR QB 1 38 ARG QB . . 1.800 4.084 3.824 4.426 2.626 1 10 [+*-*******] 1
76 1 23 TYR QB 1 41 THR H . . 1.800 4.226 3.873 4.605 2.805 8 10 [****-**+**] 1
77 1 23 TYR QD 1 24 GLY H . . 1.800 4.406 4.200 4.755 2.955 6 10 [*-***+****] 1
78 1 23 TYR QD 1 38 ARG QG . . 1.800 3.647 3.057 4.866 3.066 10 10 [**-******+] 1
79 1 23 TYR QD 1 40 GLY H . . 1.800 3.232 2.712 3.592 1.792 7 10 [******+*-*] 1
80 1 23 TYR QD 1 40 GLY QA . . 1.800 1.977 1.892 2.078 0.278 2 0 "[ . 1]" 1
81 1 23 TYR QD 1 41 THR H . . 1.800 4.499 4.199 4.766 2.966 2 10 [*+*-******] 1
82 1 23 TYR QD 1 49 VAL QG . . 1.800 2.733 2.129 3.131 1.331 7 8 "[*****-+ *1]" 1
83 1 23 TYR QE 1 40 GLY H . . 1.800 4.727 4.048 5.466 3.666 7 10 [**-***+***] 1
84 1 23 TYR QE 1 40 GLY QA . . 1.800 3.638 2.681 4.265 2.465 2 10 [*+-*******] 1
85 1 23 TYR QE 1 47 ARG QB . . 1.800 3.274 2.475 4.860 3.060 10 10 [********-+] 1
86 1 23 TYR QE 1 47 ARG QD . . 1.800 4.617 3.050 4.950 3.150 7 10 [******+**-] 1
87 1 23 TYR QE 1 47 ARG QG . . 1.800 2.882 2.721 3.671 1.871 8 10 [*-*****+**] 1
88 1 23 TYR QE 1 49 VAL HB . . 1.800 4.814 4.218 5.356 3.556 4 10 [***+*****-] 1
89 1 23 TYR QE 1 49 VAL QG . . 1.800 2.473 1.938 2.900 1.100 4 7 "[***+*-* 1]" 1
90 1 24 GLY H 1 25 SER H . . 1.800 3.112 1.881 4.258 2.458 4 6 "[ *+.* **-]" 1
91 1 24 GLY H 1 40 GLY QA . . 1.800 3.644 2.650 4.000 2.200 2 10 [*+******-*] 1
92 1 24 GLY H 1 41 THR H . . 1.800 4.802 3.900 5.576 3.776 7 10 [***-**+***] 1
93 1 24 GLY QA 1 25 SER H . . 1.800 2.373 2.114 2.743 0.943 7 4 "[-* * + 1]" 1
94 1 24 GLY QA 1 25 SER QB . . 1.800 4.111 3.768 4.251 2.451 9 10 [********+-] 1
95 1 24 GLY QA 1 38 ARG QD . . 1.800 3.701 3.021 4.399 2.599 10 10 [*-*******+] 1
96 1 25 SER HA 1 26 CYS H . . 1.800 2.314 2.148 2.448 0.648 10 6 "[ -*.* **+]" 1
97 1 25 SER HA 1 27 VAL QG . . 1.800 5.368 5.104 5.469 3.669 8 10 [******-+**] 1
98 1 25 SER QB 1 26 CYS H . . 1.800 2.843 2.313 3.429 1.629 5 10 [****+***-*] 1
99 1 26 CYS HA 1 27 VAL H . . 1.800 2.176 2.148 2.197 0.397 2 0 "[ . 1]" 1
100 1 26 CYS HA 1 27 VAL QG . . 1.800 3.453 3.320 3.594 1.794 2 10 [*+***-****] 1
101 1 26 CYS HA 1 38 ARG QB . . 1.800 2.541 1.984 3.997 2.197 10 4 "[ -*.* +]" 1
102 1 26 CYS HA 1 39 GLU H . . 1.800 4.600 3.899 5.451 3.651 6 10 [*****+-***] 1
103 1 26 CYS QB 1 27 VAL H . . 1.800 3.190 3.054 3.597 1.797 6 10 [**-**+****] 1
104 1 26 CYS QB 1 53 VAL QG . . 1.800 1.953 1.789 2.737 0.937 7 1 "[ . + 1]" 1
105 1 26 CYS QB 1 57 TRP HE1 . . 1.800 5.194 4.730 5.314 3.514 10 10 [*****-***+] 1
106 1 26 CYS QB 1 57 TRP HZ2 . . 1.800 4.945 4.312 5.273 3.473 9 10 [********+-] 1
107 1 27 VAL H 1 27 VAL QG . . 1.800 2.488 2.355 2.661 0.861 2 10 [*+***-****] 1
108 1 27 VAL H 1 37 MET H . . 1.800 3.810 3.100 4.453 2.653 1 10 [+*-*******] 1
109 1 27 VAL H 1 38 ARG HA . . 1.800 3.007 2.280 3.884 2.084 3 9 "[**+*** *-*]" 1
110 1 27 VAL H 1 38 ARG QB . . 1.800 3.489 2.864 4.480 2.680 10 10 [-********+] 1
111 1 27 VAL H 1 53 VAL QG . . 1.800 3.638 3.221 4.447 2.647 7 10 [***-**+***] 1
112 1 27 VAL HA 1 27 VAL QG . . 1.800 2.085 2.044 2.118 0.318 9 0 "[ . 1]" 1
113 1 27 VAL HA 1 28 ALA H . . 1.800 2.149 2.141 2.157 0.357 10 0 "[ . 1]" 1
114 1 27 VAL HA 1 28 ALA MB . . 1.800 3.945 3.895 4.014 2.214 9 10 [-*******+*] 1
115 1 27 VAL HA 1 37 MET H . . 1.800 5.211 4.826 5.515 3.715 9 10 [*****-**+*] 1
116 1 27 VAL HA 1 53 VAL QG . . 1.800 3.378 2.648 4.178 2.378 9 10 [*****-**+*] 1
117 1 27 VAL HB 1 27 VAL QG . . 1.800 1.877 1.862 1.895 0.095 6 0 "[ . 1]" 1
118 1 27 VAL HB 1 28 ALA H . . 1.800 4.172 4.066 4.264 2.464 9 10 [***-****+*] 1
119 1 27 VAL HB 1 37 MET H . . 1.800 3.769 3.400 4.634 2.834 7 10 [****-*+***] 1
120 1 27 VAL QG 1 28 ALA H . . 1.800 2.671 2.300 2.924 1.124 9 9 "[-***** *+*]" 1
121 1 27 VAL QG 1 37 MET H . . 1.800 4.130 3.742 4.669 2.869 7 10 [-*****+***] 1
122 1 28 ALA H 1 28 ALA MB . . 1.800 2.158 2.029 2.246 0.446 2 0 "[ . 1]" 1
123 1 28 ALA H 1 29 ASN H . . 1.800 4.577 4.425 4.633 2.833 10 10 [******-**+] 1
124 1 28 ALA H 1 53 VAL QG . . 1.800 2.950 2.166 3.782 1.982 9 9 "[***** *-+*]" 1
125 1 28 ALA HA 1 29 ASN H . . 1.800 2.224 2.142 2.294 0.494 10 0 "[ . 1]" 1
126 1 28 ALA HA 1 36 GLY H . . 1.800 4.247 3.627 5.105 3.305 7 10 [*****-+***] 1
127 1 28 ALA HA 1 36 GLY QA . . 1.800 2.459 1.976 2.885 1.085 2 6 "[*+ * **-1]" 1
128 1 28 ALA HA 1 37 MET H . . 1.800 3.794 3.071 4.236 2.436 8 10 [******-+**] 1
129 1 28 ALA HA 1 53 VAL QG . . 1.800 2.602 1.959 3.707 1.907 9 8 "[-** *** +*]" 1
130 1 28 ALA MB 1 29 ASN H . . 1.800 2.909 2.720 3.281 1.481 7 10 [*-****+***] 1
131 1 28 ALA MB 1 30 ASN H . . 1.800 3.153 2.736 3.673 1.873 9 10 [*******-+*] 1
132 1 28 ALA MB 1 31 GLY H . . 1.800 3.409 2.264 5.086 3.286 5 9 "[-***+ ****]" 1
133 1 28 ALA MB 1 32 ASP H . . 1.800 3.770 2.054 4.385 2.585 10 9 "[***** *-*+]" 1
134 1 28 ALA MB 1 32 ASP HA . . 1.800 3.918 3.107 4.485 2.685 3 10 [**+***-***] 1
135 1 28 ALA MB 1 32 ASP QB . . 1.800 4.605 3.692 4.881 3.081 5 10 [****+-****] 1
136 1 28 ALA MB 1 33 CYS H . . 1.800 3.693 2.704 4.376 2.576 7 10 [*****-+***] 1
137 1 28 ALA MB 1 33 CYS HA . . 1.800 2.583 1.990 3.791 1.991 7 6 "[- **+ **]" 1
138 1 28 ALA MB 1 34 GLY H . . 1.800 3.128 2.227 5.064 3.264 7 8 "[** -**+ **]" 1
139 1 28 ALA MB 1 36 GLY H . . 1.800 5.107 4.646 5.501 3.701 7 10 [***-**+***] 1
140 1 28 ALA MB 1 36 GLY QA . . 1.800 3.829 3.491 4.217 2.417 2 10 [*+***-****] 1
141 1 28 ALA MB 1 53 VAL H . . 1.800 4.330 3.617 5.521 3.721 7 10 [*****-+***] 1
142 1 28 ALA MB 1 53 VAL HB . . 1.800 2.708 1.937 3.703 1.903 7 8 "[*** -*+ **]" 1
143 1 28 ALA MB 1 53 VAL QG . . 1.800 2.404 1.895 3.239 1.439 9 4 "[ -* . +*]" 1
144 1 29 ASN H 1 30 ASN H . . 1.800 2.779 2.409 3.198 1.398 9 10 [-*******+*] 1
145 1 29 ASN H 1 36 GLY H . . 1.800 4.570 3.722 5.510 3.710 7 10 [******+-**] 1
146 1 29 ASN H 1 36 GLY QA . . 1.800 2.442 2.016 3.216 1.416 5 4 "[ * + * -1]" 1
147 1 29 ASN H 1 37 MET H . . 1.800 4.270 3.547 4.942 3.142 2 10 [*+****-***] 1
148 1 29 ASN HA 1 30 ASN H . . 1.800 3.305 2.653 3.570 1.770 10 10 [*-*******+] 1
149 1 29 ASN QB 1 30 ASN H . . 1.800 2.903 2.119 3.951 2.151 2 8 "[*+*** ** -]" 1
150 1 30 ASN H 1 31 GLY H . . 1.800 2.815 1.896 4.410 2.610 8 7 "[- **** +*1]" 1
151 1 30 ASN H 1 32 ASP H . . 1.800 4.934 4.013 5.571 3.771 7 10 [****-*+***] 1
152 1 30 ASN HA 1 31 GLY H . . 1.800 3.151 2.337 3.564 1.764 3 10 [**+*****-*] 1
153 1 31 GLY H 1 32 ASP H . . 1.800 3.354 2.066 4.324 2.524 7 9 "[**-** +***]" 1
154 1 31 GLY H 1 33 CYS H . . 1.800 4.821 3.691 5.502 3.702 2 10 [*+-*******] 1
155 1 31 GLY QA 1 32 ASP H . . 1.800 2.431 2.123 2.860 1.060 8 7 "[*-**** + 1]" 1
156 1 32 ASP H 1 33 CYS H . . 1.800 2.449 1.895 2.876 1.076 7 6 "[* **.-+* 1]" 1
157 1 32 ASP HA 1 33 CYS H . . 1.800 3.555 3.534 3.571 1.771 1 10 [+*****-***] 1
158 1 32 ASP QB 1 33 CYS H . . 1.800 2.294 1.902 2.660 0.860 9 5 "[ - * * +*]" 1
159 1 33 CYS H 1 34 GLY H . . 1.800 4.373 4.330 4.434 2.634 2 10 [-+********] 1
160 1 33 CYS H 1 53 VAL HB . . 1.800 5.374 4.623 5.576 3.776 9 10 [******-*+*] 1
161 1 33 CYS H 1 53 VAL QG . . 1.800 4.953 4.286 5.231 3.431 10 10 [******-**+] 1
162 1 33 CYS HA 1 34 GLY H . . 1.800 2.295 2.276 2.371 0.571 7 2 "[ .-+ 1]" 1
163 1 33 CYS HA 1 53 VAL H . . 1.800 4.808 3.972 5.216 3.416 8 10 [*****-*+**] 1
164 1 33 CYS HA 1 53 VAL QG . . 1.800 2.801 2.201 3.027 1.227 3 9 "[**+*** -**]" 1
165 1 33 CYS QB 1 34 GLY H . . 1.800 2.687 2.530 2.766 0.966 3 10 [**+***-***] 1
166 1 33 CYS QB 1 53 VAL HB . . 1.800 3.591 3.148 3.821 2.021 10 10 [**-******+] 1
167 1 33 CYS QB 1 53 VAL QG . . 1.800 3.149 2.538 4.086 2.286 6 10 [**-**+****] 1
168 1 34 GLY H 1 35 GLN H . . 1.800 4.429 4.313 4.553 2.753 7 10 [****-*+***] 1
169 1 34 GLY H 1 53 VAL H . . 1.800 2.926 2.303 3.236 1.436 8 10 [*****-*+**] 1
170 1 34 GLY H 1 53 VAL HB . . 1.800 2.143 1.928 2.542 0.742 6 3 "[ -+ *]" 1
171 1 34 GLY H 1 53 VAL QG . . 1.800 3.089 2.979 3.376 1.576 10 10 [*******-*+] 1
172 1 34 GLY QA 1 35 GLN H . . 1.800 2.267 2.230 2.283 0.483 6 0 "[ . 1]" 1
173 1 34 GLY QA 1 53 VAL H . . 1.800 3.514 2.920 3.793 1.993 5 10 [****+-****] 1
174 1 35 GLN H 1 35 GLN QG . . 1.800 3.258 2.271 3.988 2.188 1 9 "[+***** **-]" 1
175 1 35 GLN H 1 36 GLY H . . 1.800 4.507 4.438 4.603 2.803 2 10 [*+******-*] 1
176 1 35 GLN H 1 52 ARG QG . . 1.800 4.463 3.863 5.096 3.296 9 10 [********+-] 1
177 1 35 GLN HA 1 35 GLN QG . . 1.800 2.559 2.059 3.397 1.597 5 5 "[- +** *]" 1
178 1 35 GLN HA 1 36 GLY H . . 1.800 2.154 2.142 2.193 0.393 2 0 "[ . 1]" 1
179 1 35 GLN HA 1 52 ARG QB . . 1.800 3.526 1.973 4.471 2.671 7 7 "[* *.-+***]" 1
180 1 35 GLN HA 1 52 ARG QG . . 1.800 3.716 2.730 4.834 3.034 6 10 [*****+***-] 1
181 1 35 GLN HA 1 53 VAL H . . 1.800 3.381 2.967 3.806 2.006 10 10 [*-*******+] 1
182 1 35 GLN QB 1 35 GLN QG . . 1.800 2.025 2.006 2.030 0.230 7 0 "[ . 1]" 1
183 1 35 GLN QB 1 36 GLY H . . 1.800 3.528 3.087 3.854 2.054 1 10 [+***-*****] 1
184 1 35 GLN QG 1 36 GLY H . . 1.800 3.636 2.937 4.372 2.572 5 10 [****+**-**] 1
185 1 36 GLY H 1 37 MET H . . 1.800 3.933 3.533 4.176 2.376 1 10 [+****-****] 1
186 1 36 GLY H 1 50 LYS HA . . 1.800 5.241 4.501 5.560 3.760 10 10 [********-+] 1
187 1 36 GLY H 1 51 CYS H . . 1.800 3.788 3.285 4.155 2.355 4 10 [***+****-*] 1
188 1 36 GLY H 1 52 ARG HA . . 1.800 2.880 1.981 3.987 2.187 9 7 "[* -.***+*]" 1
189 1 36 GLY H 1 53 VAL H . . 1.800 3.891 3.553 4.666 2.866 6 10 [*****+*-**] 1
190 1 36 GLY QA 1 37 MET H . . 1.800 2.140 2.114 2.193 0.393 1 0 "[ . 1]" 1
191 1 37 MET H 1 37 MET QG . . 1.800 3.562 2.422 4.333 2.533 10 10 [*-*******+] 1
192 1 37 MET H 1 38 ARG H . . 1.800 4.418 4.353 4.513 2.713 1 10 [+****-****] 1
193 1 37 MET HA 1 37 MET QG . . 1.800 2.728 2.094 3.339 1.539 4 6 "[ **+- * *]" 1
194 1 37 MET HA 1 38 ARG H . . 1.800 2.426 2.288 2.520 0.720 2 9 "[*+*** *-**]" 1
195 1 37 MET HA 1 50 LYS H . . 1.800 5.123 4.650 5.518 3.718 10 10 [********-+] 1
196 1 37 MET HA 1 51 CYS H . . 1.800 2.697 1.933 3.671 1.871 6 6 "[* *+ -**]" 1
197 1 37 MET QB 1 37 MET QG . . 1.800 2.055 2.004 2.087 0.287 3 0 "[ . 1]" 1
198 1 37 MET QB 1 38 ARG H . . 1.800 2.786 2.158 3.295 1.495 8 8 "[* * **-+**]" 1
199 1 37 MET QG 1 38 ARG H . . 1.800 2.633 1.892 3.573 1.773 2 5 "[ +**.-* 1]" 1
200 1 37 MET QG 1 39 GLU QG . . 1.800 4.560 3.845 5.067 3.267 7 10 [******+-**] 1
201 1 37 MET QG 1 50 LYS QD . . 1.800 4.245 3.090 5.054 3.254 2 10 [*+******-*] 1
202 1 37 MET QG 1 50 LYS QE . . 1.800 3.714 2.114 4.692 2.892 2 8 "[-+*** ** *]" 1
203 1 37 MET QG 1 51 CYS H . . 1.800 4.914 4.257 5.293 3.493 6 10 [*****+*-**] 1
204 1 38 ARG H 1 38 ARG QG . . 1.800 3.906 3.672 4.092 2.292 10 10 [******-**+] 1
205 1 38 ARG H 1 49 VAL H . . 1.800 2.965 2.489 3.312 1.512 6 10 [*****+**-*] 1
206 1 38 ARG H 1 49 VAL QG . . 1.800 3.156 2.614 3.554 1.754 1 10 [+-********] 1
207 1 38 ARG H 1 50 LYS HA . . 1.800 3.638 3.385 4.351 2.551 5 10 [***-+*****] 1
208 1 38 ARG H 1 51 CYS H . . 1.800 4.085 3.704 4.748 2.948 9 10 [***-****+*] 1
209 1 38 ARG HA 1 38 ARG QG . . 1.800 2.711 2.063 3.060 1.260 3 9 [-*+******1] 1
210 1 38 ARG HA 1 39 GLU H . . 1.800 2.200 2.152 2.268 0.468 3 0 "[ . 1]" 1
211 1 38 ARG HA 1 39 GLU QB . . 1.800 4.050 3.925 4.119 2.319 4 10 [***+*****-] 1
212 1 38 ARG QB 1 38 ARG QG . . 1.800 2.058 2.012 2.097 0.297 7 0 "[ . 1]" 1
213 1 38 ARG QB 1 39 GLU H . . 1.800 3.571 3.210 3.734 1.934 4 10 [***+*****-] 1
214 1 38 ARG QB 1 49 VAL QG . . 1.800 2.085 1.866 2.349 0.549 7 1 "[ . + 1]" 1
215 1 38 ARG QD 1 38 ARG QG . . 1.800 2.031 2.005 2.056 0.256 3 0 "[ . 1]" 1
216 1 38 ARG QG 1 39 GLU H . . 1.800 2.569 2.176 3.039 1.239 10 8 "[- **.****+]" 1
217 1 38 ARG QG 1 49 VAL QG . . 1.800 2.357 1.912 3.631 1.831 10 4 "[ **- +]" 1
218 1 39 GLU H 1 39 GLU QG . . 1.800 3.665 3.524 3.983 2.183 10 10 [***-*****+] 1
219 1 39 GLU H 1 40 GLY H . . 1.800 4.324 4.243 4.525 2.725 7 10 [******+**-] 1
220 1 39 GLU HA 1 39 GLU QG . . 1.800 2.064 2.001 2.103 0.303 4 0 "[ . 1]" 1
221 1 39 GLU HA 1 40 GLY H . . 1.800 2.150 2.142 2.202 0.402 7 0 "[ . 1]" 1
222 1 39 GLU HA 1 47 ARG H . . 1.800 4.148 3.893 4.703 2.903 10 10 [**-******+] 1
223 1 39 GLU HA 1 48 LYS QG . . 1.800 3.925 2.925 4.912 3.112 5 10 [****+***-*] 1
224 1 39 GLU QB 1 39 GLU QG . . 1.800 2.033 2.032 2.035 0.235 4 0 "[ . 1]" 1
225 1 39 GLU QB 1 40 GLY H . . 1.800 3.483 3.087 3.606 1.806 10 10 [******-**+] 1
226 1 39 GLU QG 1 40 GLY H . . 1.800 3.721 3.481 3.849 2.049 3 10 [**+******-] 1
227 1 39 GLU QG 1 46 THR HB . . 1.800 4.159 3.802 4.587 2.787 3 10 [-*+*******] 1
228 1 39 GLU QG 1 46 THR MG . . 1.800 3.932 3.482 4.528 2.728 10 10 [*******-*+] 1
229 1 39 GLU QG 1 48 LYS QG . . 1.800 2.962 1.948 4.329 2.529 5 9 "[****+*-* *]" 1
230 1 40 GLY H 1 41 THR H . . 1.800 4.483 4.273 4.552 2.752 2 10 [*+-*******] 1
231 1 40 GLY H 1 46 THR HA . . 1.800 4.817 4.503 5.049 3.249 3 10 [**+***-***] 1
232 1 40 GLY H 1 46 THR HB . . 1.800 5.123 4.358 5.540 3.740 10 10 [******-**+] 1
233 1 40 GLY H 1 47 ARG H . . 1.800 2.933 2.615 3.133 1.333 10 10 [******-**+] 1
234 1 40 GLY H 1 47 ARG QB . . 1.800 3.183 2.258 4.696 2.896 10 9 "[** -*****+]" 1
235 1 40 GLY H 1 48 LYS QG . . 1.800 4.800 4.329 5.374 3.574 10 10 [********-+] 1
236 1 40 GLY QA 1 41 THR H . . 1.800 2.170 2.109 2.255 0.455 9 0 "[ . 1]" 1
237 1 41 THR H 1 41 THR MG . . 1.800 2.040 1.929 2.301 0.501 7 1 "[ . + 1]" 1
238 1 41 THR H 1 42 CYS H . . 1.800 4.381 4.302 4.451 2.651 9 10 [***-****+*] 1
239 1 41 THR HA 1 42 CYS H . . 1.800 2.174 2.144 2.231 0.431 9 0 "[ . 1]" 1
240 1 41 THR HA 1 45 GLN H . . 1.800 4.332 4.057 4.512 2.712 8 10 [*****-*+**] 1
241 1 41 THR HA 1 46 THR HA . . 1.800 2.377 2.208 2.654 0.854 6 5 "[** *-+ 1]" 1
242 1 41 THR HB 1 42 CYS H . . 1.800 3.913 3.038 4.216 2.416 6 10 [*****+-***] 1
243 1 41 THR HB 1 45 GLN H . . 1.800 5.293 4.349 5.539 3.739 5 10 [****+*-***] 1
244 1 41 THR MG 1 42 CYS H . . 1.800 4.078 3.898 4.273 2.473 3 10 [**+*****-*] 1
245 1 41 THR MG 1 45 GLN H . . 1.800 5.551 5.508 5.605 3.805 7 10 [******+*-*] 1
246 1 42 CYS H 1 45 GLN H . . 1.800 2.809 2.719 2.934 1.134 3 10 [**+***-***] 1
247 1 42 CYS H 1 45 GLN HA . . 1.800 4.697 4.635 4.760 2.960 6 10 [*****+-***] 1
248 1 42 CYS H 1 45 GLN QB . . 1.800 3.335 2.930 3.763 1.963 9 10 [**-*****+*] 1
249 1 42 CYS H 1 45 GLN QG . . 1.800 4.601 4.190 4.884 3.084 9 10 [***-****+*] 1
250 1 42 CYS H 1 46 THR H . . 1.800 4.818 4.634 4.970 3.170 6 10 [**-**+****] 1
251 1 42 CYS HA 1 43 ASN H . . 1.800 2.146 2.142 2.148 0.348 8 0 "[ . 1]" 1
252 1 43 ASN HA 1 44 GLU H . . 1.800 3.537 3.522 3.555 1.755 9 10 [**-*****+*] 1
253 1 43 ASN HA 1 45 GLN H . . 1.800 4.928 4.791 5.024 3.224 6 10 [**-**+****] 1
254 1 43 ASN QB 1 44 GLU H . . 1.800 1.932 1.851 2.025 0.225 9 0 "[ . 1]" 1
255 1 43 ASN QB 1 44 GLU QB . . 1.800 3.459 3.009 3.731 1.931 5 10 [**-*+*****] 1
256 1 43 ASN QB 1 44 GLU QG . . 1.800 3.299 2.394 4.844 3.044 1 10 [+****-****] 1
257 1 43 ASN QB 1 45 GLN H . . 1.800 3.663 3.514 3.934 2.134 6 10 [*****+*-**] 1
258 1 44 GLU H 1 44 GLU QG . . 1.800 3.054 2.250 4.230 2.430 9 8 "[****.*- +*]" 1
259 1 44 GLU H 1 45 GLN H . . 1.800 2.208 1.920 2.484 0.684 6 2 "[ -.+ 1]" 1
260 1 44 GLU HA 1 44 GLU QG . . 1.800 2.804 2.240 3.456 1.656 4 8 "[ *-+**** *]" 1
261 1 44 GLU HA 1 45 GLN H . . 1.800 2.914 2.776 3.001 1.201 9 10 [*****-**+*] 1
262 1 44 GLU QB 1 45 GLN H . . 1.800 3.879 3.714 4.032 2.232 7 10 [******+*-*] 1
263 1 44 GLU QG 1 45 GLN H . . 1.800 4.149 3.564 4.516 2.716 1 10 [+*****-***] 1
264 1 44 GLU QG 1 45 GLN QG . . 1.800 3.669 2.364 4.673 2.873 3 10 [**+***-***] 1
265 1 45 GLN H 1 45 GLN QG . . 1.800 2.696 2.608 2.731 0.931 1 10 [+*-*******] 1
266 1 45 GLN H 1 46 THR H . . 1.800 4.448 4.442 4.479 2.679 3 10 [**+**-****] 1
267 1 45 GLN HA 1 45 GLN QG . . 1.800 2.577 2.558 2.607 0.807 6 10 [**-**+****] 1
268 1 45 GLN HA 1 46 THR H . . 1.800 2.424 2.420 2.437 0.637 3 10 [-*+*******] 1
269 1 45 GLN QB 1 45 GLN QG . . 1.800 2.095 2.093 2.095 0.295 5 0 "[ . 1]" 1
270 1 45 GLN QB 1 46 THR H . . 1.800 2.397 2.360 2.408 0.608 8 10 [**-****+**] 1
271 1 45 GLN QG 1 46 THR H . . 1.800 4.085 4.032 4.114 2.314 4 10 [**-+******] 1
272 1 46 THR H 1 46 THR MG . . 1.800 3.273 2.005 3.653 1.853 8 9 [******-+*1] 1
273 1 46 THR H 1 47 ARG H . . 1.800 4.470 4.351 4.513 2.713 1 10 [+********-] 1
274 1 46 THR HA 1 46 THR MG . . 1.800 2.232 2.099 3.146 1.346 10 1 "[ . +]" 1
275 1 46 THR HA 1 47 ARG H . . 1.800 2.328 2.191 2.387 0.587 7 9 [*****-+**1] 1
276 1 46 THR HB 1 47 ARG H . . 1.800 2.768 2.472 3.811 2.011 10 10 [******-**+] 1
277 1 46 THR MG 1 47 ARG H . . 1.800 3.200 2.666 4.188 2.388 10 10 [*******-*+] 1
278 1 46 THR MG 1 47 ARG QB . . 1.800 4.934 4.663 5.172 3.372 10 10 [*******-*+] 1
279 1 47 ARG H 1 47 ARG QG . . 1.800 4.100 2.454 4.296 2.496 2 10 [*+*******-] 1
280 1 47 ARG HA 1 47 ARG QG . . 1.800 2.941 2.516 3.402 1.602 10 10 [*******-*+] 1
281 1 47 ARG HA 1 48 LYS H . . 1.800 2.358 2.198 2.467 0.667 10 9 "[******- *+]" 1
282 1 47 ARG QB 1 47 ARG QD . . 1.800 2.298 1.948 2.378 0.578 8 9 [****-**+*1] 1
283 1 47 ARG QB 1 47 ARG QG . . 1.800 1.998 1.984 2.028 0.228 10 0 "[ . 1]" 1
284 1 47 ARG QB 1 48 LYS H . . 1.800 3.234 2.421 3.412 1.612 8 10 [*******+*-] 1
285 1 47 ARG QB 1 49 VAL QG . . 1.800 3.493 3.159 3.972 2.172 10 10 [*******-*+] 1
286 1 47 ARG QD 1 47 ARG QG . . 1.800 2.066 2.051 2.098 0.298 9 0 "[ . 1]" 1
287 1 47 ARG QD 1 48 LYS QD . . 1.800 4.917 4.364 5.070 3.270 2 10 [*+*****-**] 1
288 1 47 ARG QD 1 49 VAL QG . . 1.800 3.584 1.817 4.266 2.466 9 9 [*******-+1] 1
289 1 47 ARG QG 1 48 LYS H . . 1.800 2.376 2.041 3.633 1.833 8 2 "[ . + -]" 1
290 1 47 ARG QG 1 49 VAL QG . . 1.800 2.633 2.246 3.782 1.982 8 9 "[*** *-*+**]" 1
291 1 48 LYS H 1 48 LYS QD . . 1.800 4.138 3.380 4.445 2.645 10 10 [*******-*+] 1
292 1 48 LYS H 1 48 LYS QG . . 1.800 3.129 2.111 3.616 1.816 9 9 [****.**-+*] 1
293 1 48 LYS H 1 49 VAL H . . 1.800 4.403 4.326 4.503 2.703 10 10 [***-*****+] 1
294 1 48 LYS HA 1 48 LYS QG . . 1.800 2.450 2.238 3.207 1.407 5 9 "[-***+*** *]" 1
295 1 48 LYS HA 1 49 VAL H . . 1.800 2.182 2.152 2.232 0.432 5 0 "[ . 1]" 1
296 1 48 LYS HA 1 49 VAL QG . . 1.800 3.268 3.095 3.377 1.577 8 10 [*******+*-] 1
297 1 48 LYS QB 1 48 LYS QE . . 1.800 3.404 2.692 3.624 1.824 3 10 [**+******-] 1
298 1 48 LYS QB 1 48 LYS QG . . 1.800 2.081 2.021 2.097 0.297 5 0 "[ . 1]" 1
299 1 48 LYS QB 1 49 VAL H . . 1.800 3.099 2.892 3.216 1.416 6 10 [****-+****] 1
300 1 48 LYS QB 1 49 VAL QG . . 1.800 3.920 3.868 4.047 2.247 8 10 [*****-*+**] 1
301 1 48 LYS QD 1 48 LYS QG . . 1.800 2.085 2.036 2.100 0.300 4 0 "[ . 1]" 1
302 1 48 LYS QE 1 48 LYS QG . . 1.800 2.079 1.965 2.206 0.406 3 0 "[ . 1]" 1
303 1 48 LYS QG 1 49 VAL H . . 1.800 3.907 3.436 4.442 2.642 5 10 [****+***-*] 1
304 1 49 VAL H 1 49 VAL QG . . 1.800 2.247 2.109 2.399 0.599 4 3 "[- *+. 1]" 1
305 1 49 VAL H 1 50 LYS H . . 1.800 4.325 4.299 4.398 2.598 8 10 [***-***+**] 1
306 1 49 VAL HA 1 49 VAL QG . . 1.800 2.232 2.095 2.301 0.501 9 1 "[ . +1]" 1
307 1 49 VAL HA 1 50 LYS H . . 1.800 2.230 2.224 2.249 0.449 1 0 "[ . 1]" 1
308 1 49 VAL HB 1 49 VAL QG . . 1.800 1.884 1.866 1.895 0.095 1 0 "[ . 1]" 1
309 1 49 VAL HB 1 50 LYS H . . 1.800 2.886 2.796 3.057 1.257 10 10 [-********+] 1
310 1 49 VAL HB 1 50 LYS HA . . 1.800 4.759 4.512 4.951 3.151 5 10 [****+****-] 1
311 1 49 VAL MG1 1 49 VAL MG2 . . 1.800 2.060 1.925 2.098 0.298 10 0 "[ . 1]" 1
312 1 49 VAL QG 1 50 LYS H . . 1.800 3.327 2.992 3.389 1.589 2 10 [*+*******-] 1
313 1 50 LYS H 1 50 LYS QD . . 1.800 4.088 3.135 4.511 2.711 6 10 [*****+***-] 1
314 1 50 LYS H 1 50 LYS QE . . 1.800 4.571 2.977 5.090 3.290 4 10 [***+****-*] 1
315 1 50 LYS H 1 50 LYS QG . . 1.800 2.502 1.980 2.805 1.005 6 7 "[-****+ * 1]" 1
316 1 50 LYS H 1 51 CYS H . . 1.800 4.469 4.401 4.525 2.725 9 10 [*****-**+*] 1
317 1 50 LYS HA 1 50 LYS QG . . 1.800 2.703 2.478 3.150 1.350 10 10 [***-*****+] 1
318 1 50 LYS HA 1 51 CYS H . . 1.800 2.147 2.141 2.162 0.362 9 0 "[ . 1]" 1
319 1 50 LYS QB 1 50 LYS QG . . 1.800 2.023 2.002 2.031 0.231 6 0 "[ . 1]" 1
320 1 50 LYS QB 1 51 CYS H . . 1.800 3.251 3.123 3.388 1.588 2 10 [*+******-*] 1
321 1 50 LYS QD 1 51 CYS H . . 1.800 3.772 3.580 3.997 2.197 6 10 [****-+****] 1
322 1 50 LYS QE 1 51 CYS H . . 1.800 5.113 4.845 5.208 3.408 6 10 [*****+-***] 1
323 1 50 LYS QG 1 51 CYS H . . 1.800 4.536 4.392 4.800 3.000 10 10 [**-******+] 1
324 1 51 CYS HA 1 52 ARG H . . 1.800 2.456 2.256 2.499 0.699 7 9 "[** ***+**-]" 1
325 1 51 CYS QB 1 52 ARG H . . 1.800 2.448 2.192 3.331 1.531 10 7 "[***-* * +]" 1
326 1 51 CYS QB 1 52 ARG QD . . 1.800 4.362 3.165 5.087 3.287 9 10 [*****-**+*] 1
327 1 52 ARG HA 1 52 ARG QD . . 1.800 2.936 2.117 3.928 2.128 9 6 "[ ** ** +-]" 1
328 1 52 ARG HA 1 52 ARG QG . . 1.800 2.875 2.429 3.439 1.639 5 10 [***-+*****] 1
329 1 52 ARG HA 1 53 VAL H . . 1.800 2.196 2.141 2.240 0.440 7 0 "[ . 1]" 1
330 1 52 ARG HA 1 53 VAL QG . . 1.800 3.394 3.168 3.539 1.739 9 10 [*****-**+*] 1
331 1 52 ARG QB 1 52 ARG QD . . 1.800 2.289 2.120 2.391 0.591 10 5 "[- *. ** +]" 1
332 1 52 ARG QB 1 52 ARG QG . . 1.800 2.008 1.991 2.031 0.231 9 0 "[ . 1]" 1
333 1 52 ARG QB 1 53 VAL H . . 1.800 3.242 2.944 3.803 2.003 9 10 [****-***+*] 1
334 1 52 ARG QD 1 52 ARG QG . . 1.800 2.058 2.037 2.099 0.299 9 0 "[ . 1]" 1
335 1 52 ARG QD 1 53 VAL H . . 1.800 4.103 3.557 4.490 2.690 6 10 [*****+*-**] 1
336 1 52 ARG QG 1 53 VAL H . . 1.800 3.200 2.752 3.562 1.762 10 10 [******-**+] 1
337 1 52 ARG QG 1 54 PRO QG . . 1.800 4.174 3.463 4.765 2.965 8 10 [****-**+**] 1
338 1 53 VAL H 1 53 VAL QG . . 1.800 2.477 2.173 2.569 0.769 1 9 "[+**** ***-]" 1
339 1 53 VAL HA 1 53 VAL QG . . 1.800 2.075 2.003 2.130 0.330 4 0 "[ . 1]" 1
340 1 53 VAL HA 1 54 PRO QD . . 1.800 1.947 1.864 2.053 0.253 10 0 "[ . 1]" 1
341 1 53 VAL HA 1 54 PRO QG . . 1.800 3.854 3.787 3.936 2.136 10 10 [********-+] 1
342 1 53 VAL HB 1 53 VAL QG . . 1.800 1.869 1.862 1.885 0.085 6 0 "[ . 1]" 1
343 1 53 VAL MG1 1 53 VAL MG2 . . 1.800 1.972 1.905 2.089 0.289 6 0 "[ . 1]" 1
344 1 53 VAL QG 1 54 PRO QD . . 1.800 3.025 2.722 3.209 1.409 7 10 [******+*-*] 1
345 1 54 PRO HA 1 55 CYS H . . 1.800 2.217 2.162 2.281 0.481 8 0 "[ . 1]" 1
346 1 54 PRO QD 1 54 PRO QG . . 1.800 1.970 1.970 1.971 0.171 7 0 "[ . 1]" 1
347 1 56 ASN HA 1 57 TRP H . . 1.800 2.920 2.332 3.549 1.749 9 10 [***-****+*] 1
348 1 56 ASN QB 1 57 TRP H . . 1.800 3.531 2.102 4.010 2.210 1 9 "[+***-*** *]" 1
349 1 57 TRP H 1 57 TRP HD1 . . 1.800 3.618 2.400 4.665 2.865 2 10 [*+*******-] 1
350 1 57 TRP HA 1 57 TRP HD1 . . 1.800 3.526 2.389 4.595 2.795 7 10 [******+-**] 1
351 1 57 TRP HA 1 57 TRP HE3 . . 1.800 4.234 2.439 4.887 3.087 8 10 [*****-*+**] 1
352 1 57 TRP HA 1 58 LYS H . . 1.800 2.934 2.202 3.569 1.769 1 8 "[+***** -*1]" 1
353 1 57 TRP QB 1 58 LYS H . . 1.800 2.622 1.989 3.854 2.054 8 8 "[ ***-**+ *]" 1
354 1 58 LYS H 1 58 LYS QD . . 1.800 4.011 2.815 4.874 3.074 7 10 [****-*+***] 1
355 1 59 LYS HA 1 60 GLU H . . 1.800 2.469 2.217 2.667 0.867 2 8 "[*+*-*** *1]" 1
356 1 59 LYS QB 1 60 GLU H . . 1.800 2.653 1.935 3.324 1.524 8 8 "[ -****+**]" 1
357 1 59 LYS QD 1 60 GLU H . . 1.800 3.313 2.042 4.515 2.715 4 8 "[** +.***-*]" 1
358 1 59 LYS QE 1 60 GLU H . . 1.800 4.180 3.332 4.990 3.190 1 10 [+***-*****] 1
359 1 59 LYS QG 1 60 GLU H . . 1.800 2.738 2.011 3.600 1.800 1 7 "[+**-* **]" 1
360 1 61 PHE HA 1 62 GLY H . . 1.800 2.587 2.142 3.569 1.769 10 6 "[* *. *-*+]" 1
361 1 61 PHE QB 1 62 GLY H . . 1.800 3.242 1.999 3.943 2.143 2 8 "[ +*-*****1]" 1
362 1 63 ALA HA 1 64 ASP H . . 1.800 2.996 2.177 3.566 1.766 6 8 "[*** -+ ***]" 1
363 1 63 ALA MB 1 64 ASP H . . 1.800 2.402 2.010 2.994 1.194 7 6 "[ ***+-*1]" 1
364 1 63 ALA MB 1 65 CYS H . . 1.800 4.270 3.374 5.593 3.793 10 10 [*-*******+] 1
365 1 64 ASP H 1 65 CYS H . . 1.800 3.026 2.211 4.632 2.832 10 8 "[*** - ***+]" 1
366 1 64 ASP HA 1 65 CYS H . . 1.800 3.339 2.145 3.570 1.770 7 9 "[******+ *-]" 1
367 1 65 CYS HA 1 88 LEU QD . . 1.800 4.716 4.133 5.214 3.414 8 10 [-******+**] 1
368 1 65 CYS QB 1 88 LEU QD . . 1.800 3.442 2.646 4.033 2.233 6 10 [*****+-***] 1
369 1 67 TYR H 1 67 TYR QD . . 1.800 3.157 2.906 3.535 1.735 9 10 [*******-+*] 1
370 1 67 TYR HA 1 68 LYS H . . 1.800 2.429 2.269 2.487 0.687 2 8 "[*+**.*** -]" 1
371 1 67 TYR HA 1 87 THR H . . 1.800 5.123 4.543 5.386 3.586 8 10 [*****-*+**] 1
372 1 67 TYR HA 1 89 GLN QG . . 1.800 3.570 2.260 4.480 2.680 8 9 "[** ****+-*]" 1
373 1 67 TYR QB 1 68 LYS H . . 1.800 2.383 2.223 2.778 0.978 9 5 "[ -* *+*]" 1
374 1 67 TYR QB 1 87 THR H . . 1.800 3.636 3.316 3.731 1.931 3 10 [**+**-****] 1
375 1 67 TYR QB 1 101 VAL QG . . 1.800 3.364 3.108 3.647 1.847 5 10 [*-**+*****] 1
376 1 67 TYR QD 1 68 LYS H . . 1.800 3.297 2.981 3.602 1.802 5 10 [***-+*****] 1
377 1 67 TYR QD 1 87 THR H . . 1.800 3.502 3.322 3.608 1.808 8 10 [*****-*+**] 1
378 1 67 TYR QD 1 88 LEU H . . 1.800 3.282 2.885 3.658 1.858 5 10 [***-+*****] 1
379 1 67 TYR QD 1 88 LEU HA . . 1.800 2.941 2.546 3.174 1.374 6 10 [*****+*-**] 1
380 1 67 TYR QD 1 88 LEU QB . . 1.800 3.684 3.155 3.954 2.154 2 10 [*+*****-**] 1
381 1 67 TYR QD 1 88 LEU QD . . 1.800 3.408 3.148 4.025 2.225 2 10 [*+****-***] 1
382 1 67 TYR QD 1 101 VAL QG . . 1.800 2.885 2.727 3.045 1.245 9 10 [******-*+*] 1
383 1 67 TYR QE 1 87 THR H . . 1.800 5.420 5.368 5.441 3.641 7 10 [*****-+***] 1
384 1 67 TYR QE 1 87 THR MG . . 1.800 4.849 4.653 5.357 3.557 2 10 [*+-*******] 1
385 1 67 TYR QE 1 88 LEU H . . 1.800 3.017 2.597 3.564 1.764 5 10 [***-+*****] 1
386 1 67 TYR QE 1 88 LEU QB . . 1.800 2.384 1.979 2.748 0.948 3 5 "[**+ *- 1]" 1
387 1 67 TYR QE 1 88 LEU QD . . 1.800 2.802 2.598 3.113 1.313 3 10 [**+*-*****] 1
388 1 67 TYR QE 1 89 GLN H . . 1.800 5.139 4.767 5.397 3.597 8 10 [****-**+**] 1
389 1 67 TYR QE 1 99 GLN HA . . 1.800 4.672 4.249 5.068 3.268 3 10 [**+-******] 1
390 1 67 TYR QE 1 100 THR H . . 1.800 4.310 3.720 4.643 2.843 10 10 [***-*****+] 1
391 1 67 TYR QE 1 100 THR HA . . 1.800 2.720 1.996 3.946 2.146 8 7 "[* * -* +**]" 1
392 1 67 TYR QE 1 101 VAL H . . 1.800 3.413 2.835 4.376 2.576 8 10 [******-+**] 1
393 1 67 TYR QE 1 101 VAL QG . . 1.800 2.331 2.096 2.479 0.679 9 4 "[ * -.* +1]" 1
394 1 68 LYS H 1 68 LYS QD . . 1.800 4.324 3.651 4.855 3.055 7 10 [******+**-] 1
395 1 68 LYS H 1 68 LYS QG . . 1.800 3.820 2.013 4.124 2.324 10 9 "[*- ******+]" 1
396 1 68 LYS H 1 89 GLN QG . . 1.800 3.536 2.932 4.170 2.370 2 10 [-+********] 1
397 1 68 LYS HA 1 68 LYS QD . . 1.800 3.345 2.224 4.310 2.510 3 9 [**+****-*1] 1
398 1 68 LYS HA 1 69 PHE H . . 1.800 2.194 2.146 2.207 0.407 5 0 "[ . 1]" 1
399 1 68 LYS QB 1 68 LYS QE . . 1.800 3.096 2.073 3.603 1.803 4 7 "[** +-* * *]" 1
400 1 68 LYS QB 1 69 PHE H . . 1.800 3.884 3.611 3.997 2.197 5 10 [**-*+*****] 1
401 1 68 LYS QB 1 89 GLN QG . . 1.800 2.607 1.926 3.653 1.853 9 6 "[ ** *- +*]" 1
402 1 68 LYS QD 1 69 PHE H . . 1.800 4.436 3.500 5.120 3.320 9 10 [*****-**+*] 1
403 1 68 LYS QG 1 69 PHE H . . 1.800 3.600 3.303 4.442 2.642 3 10 [**+***-***] 1
404 1 68 LYS QG 1 89 GLN QG . . 1.800 3.619 2.535 4.940 3.140 9 10 [-*******+*] 1
405 1 69 PHE H 1 69 PHE QD . . 1.800 3.367 3.120 3.442 1.642 8 10 [*-*****+**] 1
406 1 69 PHE HA 1 70 GLY H . . 1.800 2.196 2.167 2.283 0.483 7 0 "[ . 1]" 1
407 1 69 PHE HA 1 86 GLY QA . . 1.800 2.885 2.644 3.109 1.309 8 10 [***-***+**] 1
408 1 69 PHE HA 1 87 THR H . . 1.800 4.119 3.764 4.390 2.590 2 10 [*+****-***] 1
409 1 69 PHE QB 1 70 GLY H . . 1.800 3.032 2.704 3.225 1.425 5 10 [***-+*****] 1
410 1 69 PHE QD 1 86 GLY H . . 1.800 3.911 3.281 4.500 2.700 5 10 [*-**+*****] 1
411 1 69 PHE QD 1 87 THR H . . 1.800 4.284 3.766 4.676 2.876 2 10 [*+**-*****] 1
412 1 69 PHE QE 1 101 VAL QG . . 1.800 3.271 2.915 3.733 1.933 6 10 [*-***+****] 1
413 1 69 PHE QE 1 103 VAL QG . . 1.800 2.107 1.851 2.417 0.617 5 2 "[ -+ 1]" 1
414 1 69 PHE HZ 1 101 VAL QG . . 1.800 3.827 3.119 4.556 2.756 6 10 [*-***+****] 1
415 1 69 PHE HZ 1 103 VAL QG . . 1.800 2.065 1.745 2.328 0.528 4 2 "[ +. -1]" 1
416 1 70 GLY H 1 71 ASN H . . 1.800 3.222 2.685 3.974 2.174 9 10 [*******-+*] 1
417 1 70 GLY H 1 85 THR H . . 1.800 5.243 4.678 5.554 3.754 5 10 [****+-****] 1
418 1 70 GLY H 1 86 GLY QA . . 1.800 4.158 4.020 4.250 2.450 1 10 [+****-****] 1
419 1 70 GLY H 1 87 THR H . . 1.800 5.394 5.188 5.532 3.732 2 10 [*+*****-**] 1
420 1 70 GLY QA 1 71 ASN H . . 1.800 2.368 2.196 2.504 0.704 8 6 "[ **.*-+ *]" 1
421 1 71 ASN HA 1 72 TRP H . . 1.800 2.361 2.139 2.920 1.120 2 3 "[ + . * -1]" 1
422 1 71 ASN HA 1 72 TRP HD1 . . 1.800 3.672 2.991 4.192 2.392 3 10 [*-+*******] 1
423 1 71 ASN QB 1 72 TRP H . . 1.800 3.447 2.518 3.861 2.061 7 10 [******+*-*] 1
424 1 72 TRP H 1 72 TRP HD1 . . 1.800 2.751 2.013 4.078 2.278 7 7 "[-** **+ *1]" 1
425 1 72 TRP HA 1 72 TRP HD1 . . 1.800 4.357 4.023 4.548 2.748 3 10 [**+******-] 1
426 1 72 TRP HA 1 72 TRP HE3 . . 1.800 3.029 2.694 3.509 1.709 10 10 [******-**+] 1
427 1 72 TRP HA 1 73 GLY H . . 1.800 2.223 2.147 2.283 0.483 4 0 "[ . 1]" 1
428 1 72 TRP HA 1 84 ARG QB . . 1.800 2.557 1.924 3.836 2.036 9 6 "[* - .* *+*]" 1
429 1 72 TRP HA 1 84 ARG QG . . 1.800 3.173 1.933 3.956 2.156 5 7 "[ -**+*** 1]" 1
430 1 72 TRP QB 1 73 GLY H . . 1.800 2.927 2.711 3.289 1.489 2 10 [*+*******-] 1
431 1 72 TRP QB 1 82 LYS QD . . 1.800 1.960 1.890 2.074 0.274 3 0 "[ . 1]" 1
432 1 72 TRP HD1 1 82 LYS QD . . 1.800 4.779 4.375 5.030 3.230 8 10 [****-**+**] 1
433 1 72 TRP HE3 1 82 LYS QB . . 1.800 4.122 3.988 4.230 2.430 8 10 [****-**+**] 1
434 1 72 TRP HE3 1 82 LYS QD . . 1.800 2.117 1.938 2.388 0.588 5 3 "[ * +- 1]" 1
435 1 72 TRP HE3 1 82 LYS QG . . 1.800 3.760 3.413 4.306 2.506 3 10 [**+****-**] 1
436 1 72 TRP HE3 1 83 SER H . . 1.800 5.351 5.009 5.507 3.707 10 10 [****-****+] 1
437 1 72 TRP HE3 1 83 SER HA . . 1.800 4.970 4.716 5.271 3.471 9 10 [********+-] 1
438 1 72 TRP HE3 1 84 ARG H . . 1.800 4.806 4.501 5.102 3.302 9 10 [****-***+*] 1
439 1 72 TRP HE3 1 103 VAL QG . . 1.800 3.281 2.941 4.529 2.729 8 10 [*******+*-] 1
440 1 73 GLY H 1 74 GLU H . . 1.800 4.404 4.305 4.473 2.673 3 10 [**+***-***] 1
441 1 73 GLY H 1 83 SER H . . 1.800 4.261 3.687 5.013 3.213 10 10 [****-****+] 1
442 1 73 GLY H 1 84 ARG H . . 1.800 5.258 4.936 5.587 3.787 9 10 [******-*+*] 1
443 1 73 GLY H 1 84 ARG HA . . 1.800 3.641 3.278 4.054 2.254 10 10 [*-*******+] 1
444 1 73 GLY H 1 84 ARG QB . . 1.800 3.016 2.567 4.040 2.240 9 10 [***-****+*] 1
445 1 73 GLY H 1 85 THR H . . 1.800 5.415 5.164 5.537 3.737 9 10 [*-******+*] 1
446 1 73 GLY QA 1 74 GLU H . . 1.800 2.238 2.224 2.258 0.458 1 0 "[ . 1]" 1
447 1 73 GLY QA 1 74 GLU QG . . 1.800 3.769 3.628 3.893 2.093 4 10 [**-+******] 1
448 1 74 GLU H 1 74 GLU QG . . 1.800 2.111 1.952 2.241 0.441 4 0 "[ . 1]" 1
449 1 74 GLU HA 1 74 GLU QG . . 1.800 3.395 3.354 3.426 1.626 1 10 [+*-*******] 1
450 1 74 GLU HA 1 75 CYS H . . 1.800 2.180 2.153 2.221 0.421 4 0 "[ . 1]" 1
451 1 74 GLU QB 1 74 GLU QG . . 1.800 2.026 2.023 2.029 0.229 3 0 "[ . 1]" 1
452 1 75 CYS HA 1 76 ASP H . . 1.800 2.150 2.144 2.184 0.384 1 0 "[ . 1]" 1
453 1 75 CYS HA 1 83 SER H . . 1.800 4.679 4.231 5.466 3.666 10 10 [-********+] 1
454 1 75 CYS QB 1 76 ASP H . . 1.800 3.207 3.012 3.283 1.483 8 10 [-******+**] 1
455 1 75 CYS QB 1 77 ALA MB . . 1.800 4.754 4.503 5.302 3.502 4 10 [***+***-**] 1
456 1 76 ASP H 1 77 ALA H . . 1.800 4.259 4.167 4.461 2.661 4 10 [***+*****-] 1
457 1 76 ASP H 1 81 THR H . . 1.800 3.674 3.476 3.929 2.129 8 10 [-******+**] 1
458 1 76 ASP H 1 82 LYS HA . . 1.800 3.675 3.248 4.751 2.951 4 10 [*-*+******] 1
459 1 76 ASP H 1 82 LYS QB . . 1.800 4.104 3.248 5.113 3.313 4 10 [***+*****-] 1
460 1 76 ASP HA 1 77 ALA H . . 1.800 2.161 2.145 2.179 0.379 10 0 "[ . 1]" 1
461 1 76 ASP HA 1 77 ALA MB . . 1.800 3.992 3.933 4.033 2.233 8 10 [****-**+**] 1
462 1 76 ASP QB 1 77 ALA H . . 1.800 3.707 3.512 3.837 2.037 3 10 [**+-******] 1
463 1 76 ASP QB 1 79 THR H . . 1.800 2.643 2.419 2.760 0.960 7 10 [******+-**] 1
464 1 76 ASP QB 1 80 SER H . . 1.800 3.794 3.547 3.998 2.198 7 10 [******+-**] 1
465 1 76 ASP QB 1 81 THR H . . 1.800 3.855 3.577 4.714 2.914 4 10 [***+*****-] 1
466 1 77 ALA H 1 77 ALA MB . . 1.800 2.160 2.037 2.233 0.433 4 0 "[ . 1]" 1
467 1 77 ALA H 1 78 ALA H . . 1.800 2.657 2.606 2.712 0.912 4 10 [***+***-**] 1
468 1 77 ALA H 1 78 ALA MB . . 1.800 4.259 4.187 4.378 2.578 4 10 [***+****-*] 1
469 1 77 ALA H 1 79 THR H . . 1.800 4.336 4.284 4.388 2.588 3 10 [-*+*******] 1
470 1 77 ALA HA 1 78 ALA H . . 1.800 3.419 3.405 3.442 1.642 4 10 [***+*****-] 1
471 1 77 ALA HA 1 78 ALA HA . . 1.800 4.786 4.757 4.795 2.995 3 10 [**+******-] 1
472 1 77 ALA HA 1 78 ALA MB . . 1.800 4.943 4.926 4.971 3.171 4 10 [***+****-*] 1
473 1 77 ALA HA 1 79 THR MG . . 1.800 4.559 4.417 4.611 2.811 6 10 [***-*+****] 1
474 1 77 ALA HA 1 80 SER H . . 1.800 2.946 2.855 3.086 1.286 8 10 [*-*****+**] 1
475 1 77 ALA HA 1 81 THR H . . 1.800 4.703 4.528 4.917 3.117 4 10 [*-*+******] 1
476 1 77 ALA MB 1 78 ALA H . . 1.800 3.015 2.926 3.086 1.286 5 10 [***-+*****] 1
477 1 77 ALA MB 1 79 THR H . . 1.800 4.502 4.415 4.645 2.845 8 10 [-******+**] 1
478 1 77 ALA MB 1 80 SER H . . 1.800 4.303 4.197 4.436 2.636 4 10 [-**+******] 1
479 1 78 ALA H 1 78 ALA MB . . 1.800 2.128 2.035 2.249 0.449 10 0 "[ . 1]" 1
480 1 78 ALA H 1 79 THR H . . 1.800 2.546 2.486 2.563 0.763 3 10 [**+******-] 1
481 1 78 ALA H 1 79 THR MG . . 1.800 3.913 3.724 3.974 2.174 6 10 [***-*+****] 1
482 1 78 ALA H 1 80 SER HA . . 1.800 5.362 5.311 5.530 3.730 4 10 [***+***-**] 1
483 1 78 ALA HA 1 79 THR H . . 1.800 3.469 3.446 3.503 1.703 8 10 [-******+**] 1
484 1 78 ALA HA 1 79 THR MG . . 1.800 5.061 4.969 5.125 3.325 8 10 [***-***+**] 1
485 1 78 ALA MB 1 79 THR H . . 1.800 2.894 2.803 2.990 1.190 2 10 [*+*****-**] 1
486 1 78 ALA MB 1 79 THR HA . . 1.800 4.055 3.971 4.123 2.323 10 10 [*******-*+] 1
487 1 78 ALA MB 1 79 THR MG . . 1.800 3.605 3.457 3.791 1.991 8 10 [**-****+**] 1
488 1 78 ALA MB 1 80 SER H . . 1.800 4.389 4.346 4.488 2.688 4 10 [***+***-**] 1
489 1 79 THR H 1 79 THR MG . . 1.800 2.164 2.068 2.227 0.427 1 0 "[ . 1]" 1
490 1 79 THR H 1 80 SER H . . 1.800 1.908 1.875 2.020 0.220 8 0 "[ . 1]" 1
491 1 79 THR H 1 80 SER HA . . 1.800 4.133 4.067 4.272 2.472 8 10 [-******+**] 1
492 1 79 THR H 1 81 THR H . . 1.800 3.703 3.529 4.100 2.300 4 10 [***+*****-] 1
493 1 79 THR HA 1 79 THR MG . . 1.800 3.194 3.190 3.202 1.402 4 10 [***+*****-] 1
494 1 79 THR HA 1 80 SER H . . 1.800 3.371 3.301 3.479 1.679 4 10 [***+**-***] 1
495 1 79 THR HB 1 80 SER H . . 1.800 4.256 4.123 4.347 2.547 7 10 [***-**+***] 1
496 1 79 THR HB 1 81 THR H . . 1.800 4.655 4.416 4.801 3.001 3 10 [**+******-] 1
497 1 79 THR HB 1 81 THR MG . . 1.800 5.431 4.965 5.512 3.712 8 10 [***-***+**] 1
498 1 79 THR MG 1 80 SER H . . 1.800 2.427 2.143 2.652 0.852 1 6 "[+* .** -*]" 1
499 1 79 THR MG 1 108 THR HB . . 1.800 5.542 5.509 5.584 3.784 1 10 [+*-*******] 1
500 1 80 SER H 1 81 THR H . . 1.800 2.706 2.598 2.793 0.993 1 10 [+******-**] 1
501 1 80 SER HA 1 81 THR H . . 1.800 2.843 2.761 2.951 1.151 10 10 [***-*****+] 1
502 1 80 SER HA 1 81 THR MG . . 1.800 4.563 4.316 4.717 2.917 6 10 [***-*+****] 1
503 1 80 SER HA 1 107 CYS H . . 1.800 4.520 3.655 4.894 3.094 6 10 [***-*+****] 1
504 1 80 SER QB 1 81 THR H . . 1.800 3.871 3.804 3.928 2.128 4 10 [***+*****-] 1
505 1 80 SER QB 1 81 THR MG . . 1.800 3.421 3.171 3.611 1.811 6 10 [*****+*-**] 1
506 1 80 SER QB 1 107 CYS H . . 1.800 4.800 4.543 4.920 3.120 1 10 [+******-**] 1
507 1 81 THR H 1 81 THR MG . . 1.800 3.483 3.253 3.597 1.797 6 10 [***-*+****] 1
508 1 81 THR H 1 82 LYS H . . 1.800 4.313 4.281 4.397 2.597 4 10 [***+***-**] 1
509 1 81 THR H 1 107 CYS H . . 1.800 4.099 3.397 4.349 2.549 2 10 [*+*-******] 1
510 1 81 THR HA 1 81 THR MG . . 1.800 2.087 1.999 2.242 0.442 4 0 "[ . 1]" 1
511 1 81 THR HA 1 82 LYS H . . 1.800 2.238 2.202 2.395 0.595 4 1 "[ +. 1]" 1
512 1 81 THR HA 1 106 PRO QB . . 1.800 4.472 3.937 4.718 2.918 2 10 [*+*****-**] 1
513 1 81 THR HA 1 107 CYS H . . 1.800 1.984 1.913 2.091 0.291 2 0 "[ . 1]" 1
514 1 81 THR HB 1 82 LYS H . . 1.800 2.912 2.403 3.041 1.241 9 10 [***-****+*] 1
515 1 81 THR HB 1 107 CYS H . . 1.800 4.458 4.377 4.564 2.764 2 10 [*+**-*****] 1
516 1 81 THR MG 1 82 LYS H . . 1.800 3.496 3.332 3.653 1.853 8 10 [*****-*+**] 1
517 1 81 THR MG 1 105 LYS HA . . 1.800 4.690 4.389 5.510 3.710 8 10 [*****-*+**] 1
518 1 81 THR MG 1 106 PRO HA . . 1.800 2.298 2.014 2.623 0.823 4 4 "[ **+. -1]" 1
519 1 81 THR MG 1 106 PRO QB . . 1.800 3.476 2.874 3.740 1.940 2 10 [*+*****-**] 1
520 1 81 THR MG 1 106 PRO QD . . 1.800 4.209 3.903 4.477 2.677 4 10 [***+*****-] 1
521 1 81 THR MG 1 106 PRO QG . . 1.800 4.817 4.436 5.043 3.243 4 10 [***+*****-] 1
522 1 81 THR MG 1 107 CYS H . . 1.800 3.313 3.166 3.541 1.741 4 10 [***+-*****] 1
523 1 82 LYS H 1 82 LYS QD . . 1.800 4.157 3.954 4.326 2.526 4 10 [***+*****-] 1
524 1 82 LYS H 1 82 LYS QG . . 1.800 2.179 1.990 2.369 0.569 4 2 "[ +. - 1]" 1
525 1 82 LYS H 1 83 SER H . . 1.800 4.504 4.395 4.532 2.732 9 10 [***-****+*] 1
526 1 82 LYS H 1 83 SER HA . . 1.800 4.978 4.735 5.046 3.246 1 10 [+**-******] 1
527 1 82 LYS H 1 104 THR HA . . 1.800 4.441 4.254 5.291 3.491 8 10 [***-***+**] 1
528 1 82 LYS H 1 105 LYS H . . 1.800 2.694 2.479 3.546 1.746 8 10 [*****-*+**] 1
529 1 82 LYS H 1 106 PRO HA . . 1.800 3.996 3.194 4.203 2.403 6 10 [*****+*-**] 1
530 1 82 LYS H 1 107 CYS H . . 1.800 2.836 2.534 3.673 1.873 4 10 [***+**-***] 1
531 1 82 LYS HA 1 82 LYS QD . . 1.800 4.201 4.110 4.250 2.450 1 10 [+*-*******] 1
532 1 82 LYS HA 1 82 LYS QG . . 1.800 3.341 3.315 3.361 1.561 3 10 [**+******-] 1
533 1 82 LYS HA 1 83 SER H . . 1.800 2.322 2.276 2.350 0.550 5 8 "[***-+** *1]" 1
534 1 82 LYS HA 1 83 SER HA . . 1.800 4.416 4.380 4.439 2.639 1 10 [+******-**] 1
535 1 82 LYS QB 1 82 LYS QD . . 1.800 2.022 1.920 2.106 0.306 7 0 "[ . 1]" 1
536 1 82 LYS QB 1 82 LYS QG . . 1.800 2.064 2.032 2.076 0.276 1 0 "[ . 1]" 1
537 1 82 LYS QB 1 83 SER H . . 1.800 2.587 2.515 2.718 0.918 8 10 [****-**+**] 1
538 1 82 LYS QD 1 82 LYS QE . . 1.800 2.048 2.034 2.092 0.292 1 0 "[ . 1]" 1
539 1 82 LYS QD 1 82 LYS QG . . 1.800 2.054 2.034 2.084 0.284 4 0 "[ . 1]" 1
540 1 82 LYS QD 1 83 SER H . . 1.800 4.116 3.807 4.322 2.522 10 10 [**-******+] 1
541 1 82 LYS QD 1 104 THR MG . . 1.800 5.167 5.057 5.291 3.491 8 10 [**-****+**] 1
542 1 82 LYS QD 1 105 LYS QE . . 1.800 4.164 3.675 4.615 2.815 8 10 [*******+-*] 1
543 1 82 LYS QE 1 82 LYS QG . . 1.800 2.010 1.933 2.291 0.491 9 0 "[ . 1]" 1
544 1 82 LYS QG 1 83 SER H . . 1.800 3.958 3.867 4.240 2.440 10 10 [******-**+] 1
545 1 82 LYS QG 1 105 LYS QD . . 1.800 3.747 3.108 4.477 2.677 4 10 [***+***-**] 1
546 1 83 SER H 1 84 ARG H . . 1.800 4.467 4.439 4.534 2.734 8 10 [-******+**] 1
547 1 83 SER H 1 104 THR HA . . 1.800 5.008 4.893 5.318 3.518 8 10 [-******+**] 1
548 1 83 SER HA 1 84 ARG H . . 1.800 2.268 2.238 2.328 0.528 8 1 "[ . + 1]" 1
549 1 83 SER HA 1 104 THR HA . . 1.800 2.724 2.619 2.801 1.001 6 10 [*****+***-] 1
550 1 83 SER HA 1 104 THR MG . . 1.800 3.241 2.503 3.580 1.780 6 10 [*****+*-**] 1
551 1 83 SER HA 1 105 LYS H . . 1.800 4.100 3.653 4.260 2.460 3 10 [**+****-**] 1
552 1 83 SER QB 1 84 ARG H . . 1.800 2.847 2.696 2.917 1.117 6 10 [*****+*-**] 1
553 1 83 SER QB 1 103 VAL H . . 1.800 4.826 4.505 5.383 3.583 8 10 [*******+*-] 1
554 1 83 SER QB 1 104 THR HA . . 1.800 4.775 4.618 4.873 3.073 5 10 [****+****-] 1
555 1 83 SER QB 1 104 THR MG . . 1.800 4.277 3.924 4.582 2.782 6 10 [**-**+****] 1
556 1 84 ARG H 1 84 ARG QG . . 1.800 4.012 3.775 4.223 2.423 10 10 [********-+] 1
557 1 84 ARG H 1 85 THR H . . 1.800 4.289 4.055 4.388 2.588 9 10 [*-******+*] 1
558 1 84 ARG H 1 85 THR HA . . 1.800 4.626 4.514 4.676 2.876 9 10 [*-******+*] 1
559 1 84 ARG H 1 103 VAL HA . . 1.800 4.845 4.697 5.037 3.237 8 10 [*******+*-] 1
560 1 84 ARG H 1 103 VAL QG . . 1.800 2.693 2.294 3.901 2.101 8 9 "[*-* ***+**]" 1
561 1 84 ARG H 1 104 THR HA . . 1.800 3.912 3.243 4.050 2.250 6 10 [*****+*-**] 1
562 1 84 ARG HA 1 84 ARG QG . . 1.800 2.732 2.195 3.220 1.420 2 8 "[ +******-1]" 1
563 1 84 ARG HA 1 85 THR H . . 1.800 2.307 2.142 2.511 0.711 9 4 "[* . -+*]" 1
564 1 84 ARG HA 1 103 VAL H . . 1.800 4.657 4.451 4.935 3.135 8 10 [*******+-*] 1
565 1 84 ARG HA 1 103 VAL QG . . 1.800 3.818 3.695 4.028 2.228 8 10 [***-***+**] 1
566 1 84 ARG QB 1 84 ARG QG . . 1.800 2.040 2.008 2.087 0.287 7 0 "[ . 1]" 1
567 1 84 ARG QB 1 85 THR H . . 1.800 3.289 2.259 3.747 1.947 2 9 "[*+****** -]" 1
568 1 84 ARG QB 1 103 VAL QG . . 1.800 1.969 1.782 2.797 0.997 8 1 "[ . + 1]" 1
569 1 84 ARG QG 1 85 THR H . . 1.800 2.545 1.888 3.816 2.016 9 6 "[ ** ** -+1]" 1
570 1 84 ARG QG 1 103 VAL H . . 1.800 4.511 3.629 5.358 3.558 10 10 [******-**+] 1
571 1 84 ARG QG 1 103 VAL QG . . 1.800 2.620 1.985 3.626 1.826 10 5 "[* * .- *+]" 1
572 1 85 THR H 1 85 THR MG . . 1.800 3.298 2.160 3.604 1.804 8 9 [**-****+*1] 1
573 1 85 THR H 1 86 GLY H . . 1.800 4.360 4.237 4.468 2.668 4 10 [***+****-*] 1
574 1 85 THR H 1 102 SER HA . . 1.800 4.739 4.507 5.395 3.595 8 10 [*-*****+**] 1
575 1 85 THR H 1 103 VAL QG . . 1.800 3.980 3.198 4.431 2.631 3 10 [**+****-**] 1
576 1 85 THR HA 1 85 THR MG . . 1.800 2.165 1.965 3.173 1.373 10 1 "[ . +]" 1
577 1 85 THR HA 1 86 GLY H . . 1.800 2.161 2.147 2.213 0.413 4 0 "[ . 1]" 1
578 1 85 THR HA 1 101 VAL H . . 1.800 4.626 4.335 5.278 3.478 8 10 [*******+*-] 1
579 1 85 THR HA 1 102 SER H . . 1.800 4.740 4.544 5.262 3.462 8 10 [*-*****+**] 1
580 1 85 THR HA 1 102 SER HA . . 1.800 2.158 1.988 2.544 0.744 8 2 "[ -. + 1]" 1
581 1 85 THR HA 1 103 VAL H . . 1.800 3.413 2.813 3.595 1.795 5 10 [****+**-**] 1
582 1 85 THR HA 1 103 VAL QG . . 1.800 3.380 2.172 3.842 2.042 7 9 "[******+ *-]" 1
583 1 85 THR HB 1 86 GLY H . . 1.800 3.471 3.109 3.921 2.121 10 10 [***-*****+] 1
584 1 85 THR HB 1 101 VAL QG . . 1.800 5.329 5.287 5.363 3.563 8 10 [*-*****+**] 1
585 1 85 THR MG 1 86 GLY H . . 1.800 3.514 3.240 4.146 2.346 10 10 [*******-*+] 1
586 1 86 GLY H 1 100 THR HA . . 1.800 5.113 4.749 5.580 3.780 8 10 [***-***+**] 1
587 1 86 GLY H 1 101 VAL H . . 1.800 3.231 2.942 3.646 1.846 8 10 [*******+*-] 1
588 1 86 GLY H 1 101 VAL HA . . 1.800 4.911 4.790 5.068 3.268 8 10 [*******+*-] 1
589 1 86 GLY H 1 101 VAL QG . . 1.800 2.879 2.669 3.040 1.240 6 10 [*****+***-] 1
590 1 86 GLY H 1 102 SER HA . . 1.800 3.173 2.718 3.483 1.683 5 10 [**-*+*****] 1
591 1 86 GLY H 1 102 SER QB . . 1.800 4.884 4.539 5.104 3.304 10 10 [******-**+] 1
592 1 86 GLY H 1 103 VAL QG . . 1.800 3.298 2.328 3.636 1.836 4 10 [***+***-**] 1
593 1 86 GLY QA 1 87 THR H . . 1.800 2.140 2.110 2.180 0.380 8 0 "[ . 1]" 1
594 1 86 GLY QA 1 101 VAL QG . . 1.800 3.135 2.626 3.405 1.605 6 10 [*****+*-**] 1
595 1 86 GLY QA 1 103 VAL QG . . 1.800 3.514 2.578 3.892 2.092 5 10 [****+**-**] 1
596 1 87 THR H 1 87 THR MG . . 1.800 3.652 2.180 3.889 2.089 8 9 "[* *****+*-]" 1
597 1 87 THR H 1 88 LEU H . . 1.800 4.521 4.435 4.590 2.790 5 10 [****+**-**] 1
598 1 87 THR H 1 101 VAL QG . . 1.800 4.906 3.922 5.146 3.346 2 10 [*+*****-**] 1
599 1 87 THR HA 1 87 THR MG . . 1.800 2.339 1.993 3.193 1.393 2 5 "[ +**- *1]" 1
600 1 87 THR HA 1 88 LEU H . . 1.800 2.207 2.149 2.291 0.491 2 0 "[ . 1]" 1
601 1 87 THR HA 1 88 LEU QB . . 1.800 4.066 4.043 4.104 2.304 3 10 [**+******-] 1
602 1 87 THR HA 1 88 LEU QD . . 1.800 5.095 5.058 5.153 3.353 2 10 [*+***-****] 1
603 1 87 THR HA 1 100 THR MG . . 1.800 2.605 1.981 4.241 2.441 2 5 "[-+ . ***]" 1
604 1 87 THR HA 1 101 VAL H . . 1.800 3.826 2.985 4.198 2.398 5 10 [****+**-**] 1
605 1 87 THR HB 1 88 LEU H . . 1.800 3.894 3.431 4.131 2.331 9 10 [*******-+*] 1
606 1 87 THR HB 1 100 THR MG . . 1.800 4.640 3.964 5.424 3.624 2 10 [*+-*******] 1
607 1 87 THR MG 1 88 LEU H . . 1.800 2.470 1.951 3.357 1.557 2 6 "[ + -.****1]" 1
608 1 87 THR MG 1 88 LEU QD . . 1.800 4.676 4.347 5.036 3.236 2 10 [*+-*******] 1
609 1 87 THR MG 1 89 GLN QG . . 1.800 4.560 3.019 5.237 3.437 3 10 [*-+*******] 1
610 1 87 THR MG 1 99 GLN QG . . 1.800 3.584 2.942 5.251 3.451 2 10 [*+*****-**] 1
611 1 88 LEU H 1 88 LEU QB . . 1.800 2.242 2.210 2.279 0.479 10 0 "[ . 1]" 1
612 1 88 LEU H 1 88 LEU QD . . 1.800 3.662 3.611 3.735 1.935 10 10 [******-**+] 1
613 1 88 LEU H 1 88 LEU HG . . 1.800 4.488 4.457 4.524 2.724 7 10 [******+-**] 1
614 1 88 LEU H 1 99 GLN HA . . 1.800 4.002 3.332 4.969 3.169 7 10 [******+-**] 1
615 1 88 LEU H 1 99 GLN QG . . 1.800 3.898 3.353 4.527 2.727 7 10 [*-****+***] 1
616 1 88 LEU H 1 100 THR MG . . 1.800 3.940 3.030 4.949 3.149 2 10 [*+****-***] 1
617 1 88 LEU HA 1 88 LEU QD . . 1.800 2.099 1.950 2.800 1.000 2 1 "[ + . 1]" 1
618 1 88 LEU HA 1 89 GLN H . . 1.800 2.194 2.139 2.242 0.442 4 0 "[ . 1]" 1
619 1 88 LEU HA 1 90 LYS H . . 1.800 4.441 3.730 4.852 3.052 4 10 [***+*****-] 1
620 1 88 LEU QB 1 88 LEU QD . . 1.800 1.909 1.782 1.946 0.146 7 0 "[ . 1]" 1
621 1 88 LEU QB 1 89 GLN H . . 1.800 3.658 3.521 3.827 2.027 5 10 [***-+*****] 1
622 1 88 LEU QB 1 99 GLN HA . . 1.800 2.611 2.007 3.297 1.497 7 9 "[****-*+ **]" 1
623 1 88 LEU QB 1 99 GLN QG . . 1.800 3.702 3.157 4.141 2.341 9 10 [****-***+*] 1
624 1 88 LEU QB 1 100 THR H . . 1.800 4.442 4.061 4.729 2.929 10 10 [****-****+] 1
625 1 88 LEU MD1 1 88 LEU MD2 . . 1.800 1.998 1.905 2.058 0.258 2 0 "[ . 1]" 1
626 1 88 LEU QD 1 88 LEU HG . . 1.800 1.870 1.858 1.885 0.085 10 0 "[ . 1]" 1
627 1 88 LEU QD 1 89 GLN H . . 1.800 2.617 2.237 3.124 1.324 2 8 "[*+**** -*]" 1
628 1 88 LEU QD 1 90 LYS H . . 1.800 3.378 2.643 3.983 2.183 4 10 [***+****-*] 1
629 1 88 LEU QD 1 90 LYS HA . . 1.800 4.143 3.588 5.303 3.503 10 10 [*-*******+] 1
630 1 88 LEU QD 1 91 ALA MB . . 1.800 3.468 3.072 4.060 2.260 8 10 [**-****+**] 1
631 1 88 LEU QD 1 97 CYS H . . 1.800 3.442 2.784 4.447 2.647 1 10 [+******-**] 1
632 1 88 LEU QD 1 97 CYS QB . . 1.800 1.952 1.708 2.455 0.655 2 2 "[-+ . 1]" 1
633 1 88 LEU QD 1 99 GLN HA . . 1.800 2.677 2.006 2.996 1.196 9 9 [***-.***+*] 1
634 1 88 LEU QD 1 99 GLN QB . . 1.800 4.182 3.707 4.478 2.678 9 10 [****-***+*] 1
635 1 88 LEU QD 1 99 GLN QG . . 1.800 4.367 3.645 4.843 3.043 8 10 [****-**+**] 1
636 1 88 LEU HG 1 89 GLN H . . 1.800 2.813 2.097 3.428 1.628 1 8 "[+ * *****-]" 1
637 1 89 GLN H 1 89 GLN QG . . 1.800 2.815 1.962 3.695 1.895 5 8 "[** *+*** -]" 1
638 1 89 GLN H 1 90 LYS H . . 1.800 2.449 1.896 2.904 1.104 1 6 "[+- **** 1]" 1
639 1 89 GLN HA 1 89 GLN QG . . 1.800 2.647 2.086 3.342 1.542 8 6 "[ -* . *+**]" 1
640 1 89 GLN HA 1 90 LYS H . . 1.800 3.546 3.516 3.557 1.757 6 10 [*****+***-] 1
641 1 89 GLN QB 1 89 GLN QG . . 1.800 2.073 2.026 2.096 0.296 9 0 "[ . 1]" 1
642 1 89 GLN QB 1 90 LYS H . . 1.800 2.536 1.920 3.459 1.659 10 4 "[ - . **+]" 1
643 1 89 GLN QG 1 90 LYS H . . 1.800 3.189 1.914 4.043 2.243 2 6 "[*+ ***- 1]" 1
644 1 89 GLN QG 1 90 LYS QD . . 1.800 3.593 2.315 4.152 2.352 10 10 [**-******+] 1
645 1 90 LYS H 1 90 LYS QD . . 1.800 2.620 2.019 4.199 2.399 10 4 "[- . **+]" 1
646 1 90 LYS H 1 90 LYS QG . . 1.800 2.940 2.383 4.061 2.261 8 10 [*******+-*] 1
647 1 90 LYS H 1 91 ALA H . . 1.800 4.422 4.293 4.579 2.779 8 10 [*-*****+**] 1
648 1 90 LYS HA 1 90 LYS QD . . 1.800 3.290 1.976 3.664 1.864 4 8 "[***+-** *1]" 1
649 1 90 LYS HA 1 90 LYS QG . . 1.800 3.279 2.549 3.441 1.641 7 10 [******+**-] 1
650 1 90 LYS HA 1 91 ALA H . . 1.800 2.302 2.147 2.364 0.564 5 7 "[* **+-* *1]" 1
651 1 90 LYS HA 1 91 ALA MB . . 1.800 3.944 3.887 3.997 2.197 4 10 [***+-*****] 1
652 1 90 LYS QB 1 90 LYS QE . . 1.800 3.484 3.286 3.737 1.937 2 10 [*+*-******] 1
653 1 90 LYS QB 1 90 LYS QG . . 1.800 2.014 2.001 2.027 0.227 1 0 "[ . 1]" 1
654 1 90 LYS QB 1 91 ALA H . . 1.800 2.779 2.507 3.641 1.841 8 10 [*******+-*] 1
655 1 90 LYS QB 1 92 LEU QD . . 1.800 3.949 3.284 4.523 2.723 4 10 [**-+******] 1
656 1 90 LYS QD 1 90 LYS QG . . 1.800 2.058 2.040 2.099 0.299 10 0 "[ . 1]" 1
657 1 90 LYS QD 1 91 ALA H . . 1.800 4.026 2.375 4.901 3.101 6 10 [*****+*-**] 1
658 1 90 LYS QD 1 92 LEU QB . . 1.800 4.620 3.660 5.097 3.297 7 10 [******+-**] 1
659 1 90 LYS QD 1 92 LEU QD . . 1.800 3.284 1.987 3.888 2.088 2 8 "[*+ *-*** *]" 1
660 1 90 LYS QE 1 92 LEU QB . . 1.800 4.571 3.621 5.076 3.276 10 10 [*-*******+] 1
661 1 90 LYS QE 1 92 LEU QD . . 1.800 3.376 1.820 4.505 2.705 10 8 "[** *-*** +]" 1
662 1 90 LYS QG 1 91 ALA H . . 1.800 3.832 2.744 4.487 2.687 5 10 [****+**-**] 1
663 1 90 LYS QG 1 92 LEU QD . . 1.800 3.273 2.410 4.674 2.874 10 10 [*******-*+] 1
664 1 91 ALA H 1 91 ALA MB . . 1.800 2.382 2.183 2.663 0.863 8 7 "[ - ***+**]" 1
665 1 91 ALA HA 1 92 LEU H . . 1.800 2.148 2.143 2.182 0.382 9 0 "[ . 1]" 1
666 1 91 ALA HA 1 93 PHE H . . 1.800 3.701 3.434 4.109 2.309 7 10 [*-****+***] 1
667 1 91 ALA MB 1 92 LEU H . . 1.800 3.203 2.946 3.310 1.510 1 10 [+*******-*] 1
668 1 91 ALA MB 1 95 VAL H . . 1.800 4.636 2.613 5.506 3.706 2 10 [*+*-******] 1
669 1 92 LEU H 1 92 LEU QB . . 1.800 2.861 2.603 3.070 1.270 8 10 [*-*****+**] 1
670 1 92 LEU H 1 92 LEU QD . . 1.800 2.538 1.993 3.571 1.771 2 5 "[ +* . **-]" 1
671 1 92 LEU H 1 92 LEU HG . . 1.800 2.540 2.101 4.796 2.996 2 3 "[ + -. * 1]" 1
672 1 92 LEU H 1 93 PHE H . . 1.800 2.428 1.901 3.262 1.462 7 5 "[ -*.*+ *1]" 1
673 1 92 LEU HA 1 92 LEU QD . . 1.800 3.050 2.192 3.462 1.662 10 9 "[* -******+]" 1
674 1 92 LEU HA 1 93 PHE H . . 1.800 3.100 2.667 3.502 1.702 5 10 [****+*-***] 1
675 1 92 LEU QB 1 92 LEU QD . . 1.800 1.832 1.779 1.915 0.115 3 0 "[ . 1]" 1
676 1 92 LEU QB 1 93 PHE H . . 1.800 3.764 3.435 4.030 2.230 4 10 [***+-*****] 1
677 1 92 LEU MD1 1 92 LEU MD2 . . 1.800 2.030 1.948 2.090 0.290 6 0 "[ . 1]" 1
678 1 92 LEU QD 1 92 LEU HG . . 1.800 1.878 1.868 1.888 0.088 6 0 "[ . 1]" 1
679 1 92 LEU QD 1 93 PHE H . . 1.800 3.916 3.078 4.406 2.606 2 10 [*+*******-] 1
680 1 92 LEU HG 1 93 PHE H . . 1.800 3.652 2.054 5.229 3.429 2 8 [-+**.****1] 1
681 1 93 PHE H 1 93 PHE QD . . 1.800 3.839 3.164 4.545 2.745 6 10 [*-***+****] 1
682 1 93 PHE HA 1 93 PHE QD . . 1.800 2.731 2.101 3.125 1.325 5 9 "[****+* *-*]" 1
683 1 93 PHE HA 1 95 VAL H . . 1.800 4.831 3.167 5.502 3.702 8 10 [**-****+**] 1
684 1 94 ASN HA 1 95 VAL H . . 1.800 2.677 2.162 3.566 1.766 9 6 "[***-. * +1]" 1
685 1 94 ASN HA 1 95 VAL QG . . 1.800 4.095 3.770 4.544 2.744 3 10 [**+*****-*] 1
686 1 94 ASN QB 1 95 VAL H . . 1.800 3.453 1.910 3.920 2.120 7 9 "[*-****+* *]" 1
687 1 95 VAL H 1 95 VAL QG . . 1.800 2.536 1.862 3.295 1.495 7 8 "[ ****+**-]" 1
688 1 95 VAL H 1 96 GLU H . . 1.800 4.273 4.110 4.520 2.720 1 10 [+******-**] 1
689 1 95 VAL HA 1 95 VAL QG . . 1.800 2.130 1.953 2.238 0.438 1 0 "[ . 1]" 1
690 1 95 VAL HA 1 96 GLU H . . 1.800 2.303 2.180 2.629 0.829 1 3 "[+* . - 1]" 1
691 1 95 VAL HB 1 95 VAL QG . . 1.800 1.880 1.868 1.897 0.097 9 0 "[ . 1]" 1
692 1 95 VAL HB 1 96 GLU H . . 1.800 3.677 1.945 4.173 2.373 8 8 "[ *-***+**]" 1
693 1 95 VAL QG 1 96 GLU H . . 1.800 2.371 2.060 2.982 1.182 2 4 "[*+- . *1]" 1
694 1 95 VAL QG 1 96 GLU QG . . 1.800 3.597 2.718 4.845 3.045 1 10 [+*****-***] 1
695 1 96 GLU H 1 96 GLU QG . . 1.800 2.713 2.043 3.992 2.192 10 4 "[* * - +]" 1
696 1 96 GLU H 1 97 CYS H . . 1.800 4.466 4.335 4.614 2.814 9 10 [********+-] 1
697 1 96 GLU HA 1 96 GLU QG . . 1.800 3.102 2.461 3.381 1.581 7 10 [****-*+***] 1
698 1 96 GLU HA 1 97 CYS H . . 1.800 2.172 2.138 2.236 0.436 8 0 "[ . 1]" 1
699 1 96 GLU QB 1 96 GLU QG . . 1.800 2.032 2.030 2.034 0.234 1 0 "[ . 1]" 1
700 1 96 GLU QB 1 97 CYS H . . 1.800 3.329 2.826 3.889 2.089 5 10 [****+***-*] 1
701 1 96 GLU QG 1 97 CYS H . . 1.800 3.798 2.893 4.428 2.628 6 10 [*****+***-] 1
702 1 97 CYS HA 1 98 GLN H . . 1.800 2.303 2.230 2.411 0.611 4 4 "[ * +. * -]" 1
703 1 97 CYS HA 1 98 GLN QB . . 1.800 4.231 4.047 4.470 2.670 7 10 [**-***+***] 1
704 1 97 CYS QB 1 98 GLN H . . 1.800 2.722 2.433 3.033 1.233 9 10 [*******-+*] 1
705 1 98 GLN H 1 98 GLN QG . . 1.800 3.262 2.947 3.619 1.819 4 10 [-**+******] 1
706 1 98 GLN HA 1 98 GLN QG . . 1.800 2.187 2.020 2.334 0.534 1 1 "[+ . 1]" 1
707 1 98 GLN HA 1 99 GLN H . . 1.800 2.297 2.202 2.309 0.509 6 9 "[*****+* *-]" 1
708 1 98 GLN QB 1 98 GLN QG . . 1.800 2.065 2.024 2.096 0.296 2 0 "[ . 1]" 1
709 1 98 GLN QB 1 100 THR H . . 1.800 2.593 2.358 3.148 1.348 10 10 [*-*******+] 1
710 1 98 GLN QB 1 101 VAL QG . . 1.800 2.407 2.319 2.640 0.840 2 10 [*+***-****] 1
711 1 98 GLN QE 1 101 VAL QG . . 1.800 3.926 2.573 4.607 2.807 10 10 [***-*****+] 1
712 1 98 GLN QG 1 101 VAL QG . . 1.800 4.020 3.424 4.342 2.542 2 10 [*+*-******] 1
713 1 99 GLN H 1 99 GLN QG . . 1.800 4.029 4.014 4.062 2.262 8 10 [******-+**] 1
714 1 99 GLN H 1 100 THR H . . 1.800 2.796 2.543 2.989 1.189 10 10 [***-*****+] 1
715 1 99 GLN HA 1 99 GLN QG . . 1.800 2.627 2.390 2.886 1.086 8 10 [****-**+**] 1
716 1 99 GLN HA 1 100 THR H . . 1.800 3.528 3.499 3.571 1.771 10 10 [*******-*+] 1
717 1 99 GLN QB 1 99 GLN QG . . 1.800 2.022 2.003 2.026 0.226 7 0 "[ . 1]" 1
718 1 99 GLN QB 1 100 THR H . . 1.800 2.567 2.128 2.743 0.943 8 9 [*****-*+*1] 1
719 1 99 GLN QB 1 100 THR MG . . 1.800 4.605 2.920 4.878 3.078 3 10 [*-+*******] 1
720 1 99 GLN QG 1 100 THR H . . 1.800 3.736 3.219 4.005 2.205 5 10 [****+****-] 1
721 1 99 GLN QG 1 100 THR MG . . 1.800 4.180 3.447 4.538 2.738 5 10 [*-**+*****] 1
722 1 100 THR H 1 100 THR MG . . 1.800 3.830 2.434 4.019 2.219 5 10 [*-**+*****] 1
723 1 100 THR H 1 101 VAL H . . 1.800 4.397 4.354 4.494 2.694 10 10 [***-*****+] 1
724 1 100 THR H 1 101 VAL QG . . 1.800 3.617 3.462 3.820 2.020 10 10 [**-******+] 1
725 1 100 THR HA 1 100 THR MG . . 1.800 2.300 2.124 3.207 1.407 2 1 "[ + . 1]" 1
726 1 100 THR HA 1 101 VAL H . . 1.800 2.287 2.264 2.423 0.623 2 2 "[ + . - 1]" 1
727 1 100 THR HA 1 101 VAL QG . . 1.800 3.160 3.093 3.226 1.426 5 10 [****+*-***] 1
728 1 100 THR HB 1 101 VAL H . . 1.800 3.503 3.353 3.720 1.920 2 10 [*+****-***] 1
729 1 100 THR MG 1 101 VAL H . . 1.800 2.232 2.012 3.409 1.609 2 2 "[ +- . 1]" 1
730 1 100 THR MG 1 101 VAL HB . . 1.800 5.460 5.357 5.591 3.791 2 10 [*+****-***] 1
731 1 101 VAL H 1 101 VAL QG . . 1.800 2.242 2.171 2.299 0.499 8 0 "[ . 1]" 1
732 1 101 VAL HA 1 101 VAL QG . . 1.800 2.336 2.290 2.384 0.584 7 8 "[****.*+ -*]" 1
733 1 101 VAL HA 1 102 SER H . . 1.800 2.310 2.236 2.487 0.687 3 3 "[ + . -* 1]" 1
734 1 101 VAL HB 1 101 VAL QG . . 1.800 1.879 1.875 1.894 0.094 8 0 "[ . 1]" 1
735 1 101 VAL HB 1 102 SER H . . 1.800 2.667 2.238 2.852 1.052 5 8 "[** *+*- **]" 1
736 1 101 VAL HB 1 103 VAL QG . . 1.800 4.253 4.044 4.438 2.638 9 10 [****-***+*] 1
737 1 101 VAL MG1 1 101 VAL MG2 . . 1.800 2.053 2.023 2.096 0.296 8 0 "[ . 1]" 1
738 1 101 VAL QG 1 102 SER H . . 1.800 3.239 2.940 3.365 1.565 5 10 [****+**-**] 1
739 1 101 VAL QG 1 102 SER HA . . 1.800 3.874 3.624 3.987 2.187 9 10 [******-*+*] 1
740 1 101 VAL QG 1 102 SER QB . . 1.800 4.603 4.249 4.747 2.947 2 10 [*+*****-**] 1
741 1 101 VAL QG 1 103 VAL H . . 1.800 4.929 4.663 5.015 3.215 6 10 [*****+*-**] 1
742 1 101 VAL QG 1 103 VAL HB . . 1.800 5.360 5.204 5.442 3.642 7 10 [******+*-*] 1
743 1 101 VAL QG 1 103 VAL QG . . 1.800 2.861 2.704 2.962 1.162 9 10 [*******-+*] 1
744 1 102 SER H 1 103 VAL H . . 1.800 4.548 4.472 4.580 2.780 9 10 [******-*+*] 1
745 1 102 SER HA 1 103 VAL H . . 1.800 2.343 2.307 2.360 0.560 3 10 [**+****-**] 1
746 1 102 SER HA 1 103 VAL QG . . 1.800 3.161 2.955 3.226 1.426 4 10 [***+***-**] 1
747 1 102 SER QB 1 103 VAL H . . 1.800 2.762 2.508 3.315 1.515 8 10 [*******+-*] 1
748 1 103 VAL H 1 103 VAL QG . . 1.800 2.238 2.171 2.287 0.487 9 0 "[ . 1]" 1
749 1 103 VAL H 1 104 THR H . . 1.800 4.426 4.348 4.449 2.649 9 10 [*******-+*] 1
750 1 103 VAL HA 1 103 VAL QG . . 1.800 2.298 1.978 2.423 0.623 9 6 "[* * .** +-]" 1
751 1 103 VAL HA 1 104 THR H . . 1.800 2.376 2.207 2.435 0.635 9 9 "[***-*** +*]" 1
752 1 103 VAL HB 1 103 VAL QG . . 1.800 1.876 1.866 1.887 0.087 7 0 "[ . 1]" 1
753 1 103 VAL HB 1 104 THR H . . 1.800 2.569 2.387 3.427 1.627 8 10 [****-**+**] 1
754 1 103 VAL MG1 1 103 VAL MG2 . . 1.800 2.034 1.969 2.088 0.288 7 0 "[ . 1]" 1
755 1 103 VAL QG 1 104 THR H . . 1.800 2.961 2.513 3.235 1.435 4 10 [***+***-**] 1
756 1 103 VAL QG 1 104 THR HA . . 1.800 3.500 3.278 4.252 2.452 8 10 [******-+**] 1
757 1 104 THR H 1 104 THR MG . . 1.800 3.977 3.952 3.987 2.187 7 10 [***-**+***] 1
758 1 104 THR H 1 105 LYS H . . 1.800 4.388 4.337 4.406 2.606 6 10 [***-*+****] 1
759 1 104 THR HA 1 104 THR MG . . 1.800 2.132 2.006 2.236 0.436 7 0 "[ . 1]" 1
760 1 104 THR HA 1 105 LYS H . . 1.800 2.256 2.198 2.278 0.478 1 0 "[ . 1]" 1
761 1 104 THR HB 1 105 LYS H . . 1.800 3.518 3.452 3.558 1.758 4 10 [**-+******] 1
762 1 104 THR MG 1 105 LYS H . . 1.800 2.102 1.925 2.429 0.629 4 2 "[ +. - 1]" 1
763 1 104 THR MG 1 105 LYS QB . . 1.800 4.293 4.163 4.568 2.768 4 10 [***+**-***] 1
764 1 105 LYS H 1 105 LYS QG . . 1.800 4.043 3.830 4.355 2.555 8 10 [*-*****+**] 1
765 1 105 LYS HA 1 105 LYS QD . . 1.800 3.724 3.085 4.059 2.259 2 10 [*+*****-**] 1
766 1 105 LYS HA 1 106 PRO QB . . 1.800 4.549 4.535 4.566 2.766 4 10 [***+***-**] 1
767 1 105 LYS HA 1 106 PRO QD . . 1.800 2.018 1.938 2.078 0.278 4 0 "[ . 1]" 1
768 1 105 LYS HA 1 106 PRO QG . . 1.800 3.926 3.841 3.992 2.192 4 10 [***+*****-] 1
769 1 105 LYS QB 1 105 LYS QD . . 1.800 2.108 1.945 2.306 0.506 9 1 "[ . +1]" 1
770 1 105 LYS QB 1 105 LYS QE . . 1.800 2.812 1.976 3.403 1.603 10 7 "[* *-** * +]" 1
771 1 105 LYS QB 1 105 LYS QG . . 1.800 2.063 2.022 2.094 0.294 2 0 "[ . 1]" 1
772 1 105 LYS QB 1 106 PRO QD . . 1.800 2.831 2.585 3.327 1.527 10 10 [***-*****+] 1
773 1 105 LYS QD 1 105 LYS QE . . 1.800 2.041 1.986 2.090 0.290 1 0 "[ . 1]" 1
774 1 105 LYS QD 1 105 LYS QG . . 1.800 2.046 2.026 2.069 0.269 5 0 "[ . 1]" 1
775 1 105 LYS QE 1 105 LYS QG . . 1.800 2.298 2.000 2.720 0.920 9 5 "[ - *. * +*]" 1
776 1 105 LYS QE 1 106 PRO QD . . 1.800 3.630 2.569 4.145 2.345 5 10 [****+*-***] 1
777 1 105 LYS QG 1 106 PRO QD . . 1.800 1.995 1.893 2.151 0.351 9 0 "[ . 1]" 1
778 1 106 PRO HA 1 107 CYS H . . 1.800 2.378 2.156 2.498 0.698 2 7 "[*+- *** *1]" 1
779 1 106 PRO QB 1 107 CYS H . . 1.800 3.831 3.504 3.960 2.160 2 10 [*+*****-**] 1
780 1 106 PRO QD 1 106 PRO QG . . 1.800 1.970 1.969 1.971 0.171 1 0 "[ . 1]" 1
781 1 106 PRO QD 1 107 CYS H . . 1.800 4.530 4.338 4.906 3.106 8 10 [*-*****+**] 1
782 1 106 PRO QG 1 107 CYS H . . 1.800 4.659 4.598 4.760 2.960 10 10 [*-*******+] 1
783 1 107 CYS HA 1 108 THR H . . 1.800 2.233 2.225 2.241 0.441 2 0 "[ . 1]" 1
784 1 108 THR HA 1 108 THR MG . . 1.800 3.188 3.179 3.193 1.393 9 10 [*****-**+*] 1
785 1 108 THR HA 1 109 THR H . . 1.800 2.226 2.142 2.293 0.493 6 0 "[ . 1]" 1
786 1 108 THR HB 1 109 THR H . . 1.800 3.905 3.753 4.146 2.346 10 10 [*****-***+] 1
787 1 109 THR H 1 109 THR MG . . 1.800 3.237 1.924 3.988 2.188 2 8 "[-+**. ****]" 1
788 1 109 THR HA 1 109 THR MG . . 1.800 2.509 1.994 3.199 1.399 5 7 "[*- +****1]" 1
789 1 109 THR HA 1 110 LYS H . . 1.800 2.445 2.142 3.571 1.771 3 6 "[ +*** - *]" 1
790 1 109 THR HA 1 110 LYS QE . . 1.800 4.804 3.804 5.291 3.491 8 10 [*****-*+**] 1
791 1 109 THR HB 1 110 LYS H . . 1.800 3.633 2.270 4.493 2.693 8 9 "[** ****+*-]" 1
792 1 109 THR MG 1 110 LYS H . . 1.800 2.958 2.010 3.825 2.025 3 8 "[* + **-***]" 1
793 1 110 LYS H 1 110 LYS QG . . 1.800 3.284 1.990 4.400 2.600 3 6 "[ *+*- ** 1]" 1
794 1 110 LYS HA 1 111 VAL H . . 1.800 2.429 2.247 2.717 0.917 6 8 "[* *-*+ ***]" 1
795 1 110 LYS QB 1 111 VAL H . . 1.800 2.767 1.955 3.506 1.706 2 6 "[ +**. **-1]" 1
796 1 110 LYS QD 1 111 VAL H . . 1.800 3.885 2.994 4.556 2.756 10 10 [***-*****+] 1
797 1 110 LYS QG 1 111 VAL H . . 1.800 2.554 1.937 3.408 1.608 9 5 "[* *- +*]" 1
798 1 110 LYS QG 1 111 VAL HB . . 1.800 3.290 2.966 3.438 1.638 6 10 [*****+**-*] 1
799 1 111 VAL H 1 111 VAL QG . . 1.800 2.244 2.072 2.560 0.760 10 4 "[* * -+]" 1
800 1 111 VAL HA 1 111 VAL QG . . 1.800 2.072 2.044 2.107 0.307 9 0 "[ . 1]" 1
801 1 111 VAL HA 1 112 LYS H . . 1.800 2.232 2.156 2.330 0.530 5 3 "[ + -*]" 1
802 1 111 VAL HB 1 111 VAL QG . . 1.800 1.876 1.862 1.888 0.088 10 0 "[ . 1]" 1
803 1 111 VAL HB 1 112 LYS H . . 1.800 4.234 3.976 4.482 2.682 9 10 [*-******+*] 1
804 1 111 VAL QG 1 112 LYS H . . 1.800 2.746 2.155 3.398 1.598 10 8 "[* ****- *+]" 1
805 1 112 LYS H 1 112 LYS QE . . 1.800 4.274 2.732 4.983 3.183 2 10 [*+*******-] 1
806 1 112 LYS H 1 112 LYS QG . . 1.800 2.606 2.219 3.728 1.928 2 5 "[*+ *.- *1]" 1
807 1 113 ASN HA 1 114 LYS H . . 1.800 2.300 2.146 2.570 0.770 10 3 "[* .- +]" 1
808 1 113 ASN QB 1 114 LYS H . . 1.800 3.130 2.051 3.905 2.105 1 9 [+****-***1] 1
809 1 114 LYS H 1 114 LYS QG . . 1.800 3.521 3.243 4.157 2.357 6 10 [-****+****] 1
810 1 114 LYS HA 1 115 PRO QD . . 1.800 2.135 1.950 2.157 0.357 5 0 "[ . 1]" 1
811 1 114 LYS QB 1 115 PRO QD . . 1.800 2.226 1.997 3.290 1.490 6 1 "[ .+ 1]" 1
812 1 115 PRO HA 1 116 LYS H . . 1.800 2.426 2.150 3.550 1.750 7 2 "[ . + -]" 1
813 1 115 PRO QB 1 116 LYS H . . 1.800 3.186 1.939 3.368 1.568 8 9 [******-+*1] 1
814 1 115 PRO QB 1 116 LYS HA . . 1.800 4.037 3.785 4.091 2.291 3 10 [**+******-] 1
815 1 115 PRO QD 1 115 PRO QG . . 1.800 1.970 1.969 1.970 0.170 3 0 "[ . 1]" 1
816 1 115 PRO QD 1 116 LYS QG . . 1.800 4.018 3.244 4.396 2.596 5 10 [****+****-] 1
817 1 116 LYS H 1 116 LYS QG . . 1.800 2.921 2.103 3.112 1.312 8 9 "[****** +*-]" 1
818 1 116 LYS HA 1 117 GLY H . . 1.800 2.328 2.145 2.720 0.920 10 3 "[ *- +]" 1
819 1 117 GLY QA 1 118 LYS H . . 1.800 2.204 2.109 2.642 0.842 7 1 "[ . + 1]" 1
820 1 118 LYS H 1 121 LYS H . . 1.800 3.215 2.392 3.472 1.672 2 10 [-+********] 1
821 1 118 LYS HA 1 119 LYS H . . 1.800 2.745 2.140 3.570 1.770 6 7 "[ ***+- **]" 1
822 1 119 LYS HA 1 120 GLY H . . 1.800 3.172 2.575 3.540 1.740 7 10 [******+*-*] 1
823 1 120 GLY QA 1 121 LYS H . . 1.800 2.691 2.487 2.850 1.050 6 10 [*****+*-**] 1
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