NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
525318 |
2lev   |
17729 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lev
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 1035
_Distance_constraint_stats_list.Viol_count 1890
_Distance_constraint_stats_list.Viol_total 25656.832
_Distance_constraint_stats_list.Viol_max 4.663
_Distance_constraint_stats_list.Viol_rms 0.2941
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0620
_Distance_constraint_stats_list.Viol_average_violations_only 0.6788
_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 8 SER 2.126 1.078 19 2 "[ . 1 . - +2]"
1 9 MET 187.400 4.663 5 20 [**-*+***************]
1 10 GLY 15.047 1.490 6 11 "[** **+ **- *.* *]"
1 11 ASN 162.981 3.361 3 15 "[* + *** **-***** **]"
1 12 SER 144.784 4.233 3 14 "[* + * * **-***** **]"
1 13 SER 24.394 2.123 10 12 "[* * .*- +*** *** *2]"
1 14 LYS 145.251 3.664 5 20 [****+**********-****]
1 15 GLY 6.597 0.429 18 0 "[ . 1 . 2]"
1 16 VAL 148.041 4.233 3 18 "[* +************** *-]"
1 17 TYR 97.595 3.707 10 14 "[ -* *** + ****** **]"
1 18 TYR 8.500 0.808 13 6 "[ * * ***+ . 2]"
1 19 ARG 62.770 3.707 10 10 "[ * * * +* * ** *-]"
1 20 ASN 35.586 2.856 5 17 "[**-*+*** **** *****2]"
1 21 GLU 10.565 1.094 6 4 "[ .+** 1* . 2]"
1 22 GLU 33.203 2.464 5 12 "[* **+**- 1* ** **2]"
1 23 GLY 7.036 0.612 6 1 "[ .+ 1 . 2]"
1 24 GLN 71.027 2.856 5 18 "[****+*** **** *****-]"
1 25 THR 21.621 1.912 3 11 "[ + * * * * **** *-]"
1 26 TRP 15.269 0.914 15 9 "[ * * - 1** *+ * *]"
1 27 SER 4.724 0.859 20 2 "[ . 1 - . +]"
1 28 GLY 5.607 0.569 15 3 "[ - * 1 + 2]"
1 29 VAL 15.036 0.914 15 7 "[ * * - 1* + * *]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 3.937 0.720 12 3 "[ . 1 + .- *2]"
1 32 GLN 15.130 2.229 18 13 "[ ** * -* **** * +**]"
1 33 PRO 6.657 0.720 12 4 "[ . 1 + .- **]"
1 34 ARG 207.406 3.494 15 20 [-*************+*****]
1 35 TRP 25.488 2.211 14 15 "[ *** * -***+******]"
1 36 LEU 26.842 1.417 15 12 "[ * . * -****+****2]"
1 37 LYS 156.664 2.229 18 20 [******-**********+**]
1 38 GLU 104.200 3.494 15 20 [****-*********+*****]
1 39 ALA 4.137 1.417 2 3 "[ + . 1 * . - 2]"
1 40 LEU 48.697 1.738 16 18 "[*** * *********+****]"
1 41 LEU 98.463 2.539 15 20 [*********-****+*****]
1 42 ASN 21.203 1.352 16 10 "[ *- * ** * * *.+ * 2]"
1 43 GLY 11.618 1.356 1 9 "[+* ** *1-* .* * 2]"
1 44 MET 37.035 1.417 2 14 "[*+ ** **-*** **** 2]"
1 45 LYS 17.536 1.738 16 6 "[ ** . 1 **+ *2]"
1 46 LYS 32.520 1.417 15 15 "[*** * * **-**+****2]"
1 47 GLU 7.827 0.701 2 3 "[ + . *- . 2]"
1 48 ASP 4.944 0.379 11 0 "[ . 1 . 2]"
1 49 PHE 11.458 0.751 8 4 "[ * . + 1 *- 2]"
1 50 LEU 40.951 2.388 16 20 [*-*************+****]
1 51 VAL 40.888 3.097 16 10 "[ * * * -*** *+ *]"
1 52 LYS 145.658 2.839 5 20 [****+****-**********]
1 53 ASP 39.211 2.479 6 19 "[** **+******-*******]"
1 54 THR 59.783 1.935 19 20 [**-***************+*]
1 55 GLU 125.589 4.663 5 20 [****+*******-*******]
1 56 GLU 11.665 0.651 11 3 "[ * . 1+ - 2]"
1 57 GLU 22.005 1.825 15 10 "[ * **** *- +* *2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 SER HA 1 9 MET HA 5.390 . 5.790 4.907 4.558 5.369 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER HA 1 9 MET QB 5.420 . 5.820 4.845 4.488 5.358 . 0 0 "[ . 1 . 2]" 1
3 1 8 SER HA 1 9 MET QG 5.200 . 5.600 4.703 3.610 6.678 1.078 19 2 "[ . 1 . - +2]" 1
4 1 8 SER QB 1 9 MET HA 5.500 . 5.900 4.258 3.818 4.459 . 0 0 "[ . 1 . 2]" 1
5 1 8 SER QB 1 9 MET QG 5.120 . 5.520 3.792 2.403 5.261 . 0 0 "[ . 1 . 2]" 1
6 1 8 SER QB 1 9 MET H 3.960 . 4.360 2.637 2.191 3.030 . 0 0 "[ . 1 . 2]" 1
7 1 9 MET HA 1 10 GLY QA 4.360 . 4.760 3.970 3.876 4.148 . 0 0 "[ . 1 . 2]" 1
8 1 9 MET QB 1 9 MET ME 4.030 . 4.430 2.435 2.046 3.636 . 0 0 "[ . 1 . 2]" 1
9 1 9 MET QB 1 10 GLY H 4.440 . 4.680 2.448 1.806 3.621 . 0 0 "[ . 1 . 2]" 1
10 1 9 MET QB 1 52 LYS QE . . 5.320 3.756 2.030 5.338 0.018 20 0 "[ . 1 . 2]" 1
11 1 9 MET QB 1 55 GLU HA 5.500 . 5.900 7.719 5.934 10.563 4.663 5 17 "[****+-****** *** * *]" 1
12 1 9 MET QB 1 52 LYS QB 5.500 . 5.900 5.463 3.216 7.049 1.149 5 2 "[ + 1 . -]" 1
13 1 9 MET QB 1 52 LYS QG 4.930 . 5.330 5.157 2.764 6.264 0.934 5 5 "[ - *+ 1 . * *]" 1
14 1 9 MET ME 1 11 ASN HA 5.500 . 5.900 6.515 5.245 9.207 3.307 13 9 "[ . * -**+ *** *2]" 1
15 1 9 MET ME 1 11 ASN QB 5.500 . 5.900 5.191 3.231 8.168 2.268 16 5 "[ - . * ** .+ 2]" 1
16 1 9 MET ME 1 11 ASN QD 5.500 . 5.900 5.321 2.644 8.912 3.012 10 7 "[ * . - +* * ** 2]" 1
17 1 9 MET ME 1 11 ASN H 5.500 . 5.900 5.933 4.254 7.729 1.829 10 7 "[ * * + ** .* -]" 1
18 1 9 MET ME 1 52 LYS QB . . 5.310 4.398 2.623 5.410 0.100 16 0 "[ . 1 . 2]" 1
19 1 9 MET ME 1 54 THR HA 4.840 . 5.240 5.405 4.315 7.175 1.935 19 4 "[ - . 1 .** +2]" 1
20 1 9 MET ME 1 54 THR H 5.500 . 5.900 5.066 3.739 6.704 0.804 16 1 "[ . 1 .+ 2]" 1
21 1 9 MET ME 1 14 LYS QB 4.670 . 5.070 6.971 5.688 8.734 3.664 5 20 [****+*********-*****] 1
22 1 9 MET ME 1 14 LYS QD 5.500 . 5.900 6.879 4.832 8.282 2.382 20 15 "[** *** **1 ***.***-+]" 1
23 1 9 MET ME 1 14 LYS QG 5.500 . 5.900 6.143 4.046 7.996 2.096 18 11 "[-* ** * 1 ***.* + *]" 1
24 1 9 MET QG 1 11 ASN QB 4.480 . 4.880 4.789 2.262 8.241 3.361 3 9 "[ + * * ***- ** 2]" 1
25 1 9 MET QG 1 52 LYS QE . . 5.180 2.619 1.973 4.729 . 0 0 "[ . 1 . 2]" 1
26 1 9 MET QG 1 52 LYS QG 5.500 . 5.900 3.970 2.487 5.980 0.080 5 0 "[ . 1 . 2]" 1
27 1 9 MET QG 1 10 GLY QA 5.220 . 5.620 3.924 3.062 5.302 . 0 0 "[ . 1 . 2]" 1
28 1 9 MET QG 1 10 GLY H 5.470 . 5.870 3.231 2.447 4.383 . 0 0 "[ . 1 . 2]" 1
29 1 9 MET QG 1 52 LYS QB 5.500 . 5.800 4.298 3.135 6.351 0.551 5 1 "[ + 1 . 2]" 1
30 1 9 MET H 1 9 MET QG 4.630 . 5.030 3.206 2.237 4.016 . 0 0 "[ . 1 . 2]" 1
31 1 9 MET H 1 10 GLY QA 4.810 . 5.210 4.831 4.363 5.270 0.060 6 0 "[ . 1 . 2]" 1
32 1 10 GLY QA 1 11 ASN HA 4.000 . 4.400 3.954 3.915 4.002 . 0 0 "[ . 1 . 2]" 1
33 1 10 GLY QA 1 11 ASN QB 4.600 . 4.880 4.044 3.707 4.526 . 0 0 "[ . 1 . 2]" 1
34 1 10 GLY QA 1 11 ASN H 3.180 . 3.580 2.266 2.168 2.452 . 0 0 "[ . 1 . 2]" 1
35 1 10 GLY QA 1 52 LYS QE 4.110 . 4.510 4.745 2.987 6.000 1.490 6 11 "[** **+ **- *.* *]" 1
36 1 10 GLY H 1 52 LYS QE 4.890 . 5.290 5.111 4.106 6.696 1.406 20 2 "[ - 1 . +]" 1
37 1 11 ASN HA 1 11 ASN QD 3.580 . 3.980 2.982 1.759 4.259 0.279 13 0 "[ . 1 . 2]" 1
38 1 11 ASN HA 1 12 SER HA 4.560 . 4.960 4.484 4.383 4.804 . 0 0 "[ . 1 . 2]" 1
39 1 11 ASN HA 1 12 SER QB 4.880 . 5.280 4.901 4.302 5.475 0.195 16 0 "[ . 1 . 2]" 1
40 1 11 ASN HA 1 12 SER H 2.400 . 2.800 2.682 2.078 3.469 0.669 7 5 "[ * . + 1 - ** 2]" 1
41 1 11 ASN HA 1 16 VAL QG 5.480 . 5.880 5.194 2.838 6.102 0.222 17 0 "[ . 1 . 2]" 1
42 1 11 ASN QB 1 12 SER HA 5.090 . 5.490 4.283 3.933 4.711 . 0 0 "[ . 1 . 2]" 1
43 1 11 ASN QB 1 52 LYS QD 4.840 . 5.240 5.227 3.045 7.632 2.392 15 7 "[ . * 1*** + * -2]" 1
44 1 11 ASN QB 1 14 LYS QB 5.500 . 5.900 6.617 3.555 9.129 3.229 10 12 "[ * * * +*** *** *-]" 1
45 1 11 ASN QB 1 16 VAL QG 5.150 . 5.550 4.601 2.388 6.395 0.845 13 1 "[ . 1 + . 2]" 1
46 1 11 ASN QB 1 14 LYS QG 5.500 . 5.900 6.530 4.694 8.940 3.040 10 11 "[ * - * +*** *** *2]" 1
47 1 11 ASN QD 1 12 SER HA 5.130 . 5.530 5.677 4.322 6.512 0.982 7 6 "[- . + 1** . * *2]" 1
48 1 11 ASN QD 1 12 SER QB 5.430 . 5.830 5.820 3.464 6.575 0.745 10 2 "[ . + -. 2]" 1
49 1 11 ASN QD 1 13 SER HA 5.500 . 5.900 6.227 4.224 8.023 2.123 10 8 "[* - .** +* * *2]" 1
50 1 11 ASN QD 1 13 SER QB 5.500 . 5.900 5.072 3.121 6.889 0.989 15 3 "[ . *- + 2]" 1
51 1 11 ASN QD 1 16 VAL QG 5.340 . 5.740 5.528 1.843 7.624 1.884 19 6 "[ . * 1* * * - +2]" 1
52 1 11 ASN H 1 11 ASN HA 2.930 . 3.330 2.930 2.865 2.971 . 0 0 "[ . 1 . 2]" 1
53 1 12 SER HA 1 52 LYS QG 5.500 . 5.900 6.264 4.480 7.671 1.771 15 12 "[ * * * **** +** *-]" 1
54 1 12 SER HA 1 16 VAL HB 4.460 . 4.860 6.605 2.953 9.093 4.233 3 12 "[ + - * **** *** **]" 1
55 1 12 SER HA 1 16 VAL QG 3.820 . 4.220 4.205 2.394 5.520 1.300 3 12 "[ + - * **** *** **]" 1
56 1 12 SER HA 1 16 VAL H 5.380 . 5.780 7.181 4.917 8.738 2.958 3 12 "[ + - * **** *** **]" 1
57 1 12 SER QB 1 16 VAL QG 3.940 . 4.340 5.046 3.040 6.035 1.695 7 12 "[ * - + **** *** **]" 1
58 1 12 SER H 1 12 SER QB 3.200 . 3.600 2.799 2.445 2.960 . 0 0 "[ . 1 . 2]" 1
59 1 12 SER H 1 13 SER QB 3.670 . 4.070 4.452 3.909 5.101 1.031 13 9 "[ * . - 1**+ *** *2]" 1
60 1 13 SER HA 1 14 LYS QG 5.160 . 5.560 4.229 3.372 5.422 . 0 0 "[ . 1 . 2]" 1
61 1 13 SER HA 1 14 LYS H 3.120 . 3.520 2.478 2.141 3.150 . 0 0 "[ . 1 . 2]" 1
62 1 13 SER QB 1 14 LYS H 3.820 . 4.220 3.231 2.577 3.950 . 0 0 "[ . 1 . 2]" 1
63 1 13 SER H 1 13 SER QB 3.390 . 3.790 2.703 2.442 3.010 . 0 0 "[ . 1 . 2]" 1
64 1 13 SER H 1 14 LYS QG 5.310 . 5.710 5.304 3.823 6.336 0.626 16 1 "[ . 1 .+ 2]" 1
65 1 14 LYS HA 1 14 LYS QD 3.810 . 4.210 3.674 2.368 4.481 0.271 13 0 "[ . 1 . 2]" 1
66 1 14 LYS HA 1 14 LYS QE 4.530 . 4.930 4.688 4.032 5.665 0.735 3 3 "[ + . 1 .- *]" 1
67 1 14 LYS HA 1 14 LYS QG . . 3.430 2.851 2.162 3.394 . 0 0 "[ . 1 . 2]" 1
68 1 14 LYS HA 1 15 GLY QA 4.010 . 4.410 3.992 3.943 4.030 . 0 0 "[ . 1 . 2]" 1
69 1 14 LYS HA 1 15 GLY H 3.220 . 3.620 2.671 2.513 2.745 . 0 0 "[ . 1 . 2]" 1
70 1 14 LYS HA 1 16 VAL QG 4.810 . 5.210 4.674 4.369 5.153 . 0 0 "[ . 1 . 2]" 1
71 1 14 LYS HA 1 16 VAL H 4.620 . 5.020 5.276 4.827 5.547 0.527 20 1 "[ . 1 . +]" 1
72 1 14 LYS QB 1 53 ASP QB 4.970 . 5.370 3.670 2.383 5.646 0.276 16 0 "[ . 1 . 2]" 1
73 1 14 LYS QB 1 14 LYS QE 3.760 . 4.160 2.853 1.993 3.780 . 0 0 "[ . 1 . 2]" 1
74 1 14 LYS QB 1 15 GLY QA . . 4.880 3.652 3.530 3.854 . 0 0 "[ . 1 . 2]" 1
75 1 14 LYS QB 1 16 VAL QG 4.440 . 4.840 4.583 3.796 5.148 0.308 20 0 "[ . 1 . 2]" 1
76 1 14 LYS QB 1 16 VAL H 5.050 . 5.450 5.170 4.101 5.824 0.374 16 0 "[ . 1 . 2]" 1
77 1 14 LYS QD 1 53 ASP QB 5.340 . 5.740 3.646 2.006 5.458 . 0 0 "[ . 1 . 2]" 1
78 1 14 LYS QD 1 15 GLY QA 5.500 . 5.900 4.749 3.382 5.874 . 0 0 "[ . 1 . 2]" 1
79 1 14 LYS QE 1 16 VAL QG 5.300 . 5.700 6.111 4.550 7.060 1.360 14 6 "[* -.* **1 +. 2]" 1
80 1 14 LYS QG 1 15 GLY H 5.120 . 5.520 3.559 2.559 4.108 . 0 0 "[ . 1 . 2]" 1
81 1 14 LYS H 1 14 LYS QB 3.610 . 4.010 2.638 2.281 2.969 . 0 0 "[ . 1 . 2]" 1
82 1 14 LYS H 1 14 LYS QG 3.850 . 4.250 2.682 1.762 3.989 0.038 7 0 "[ . 1 . 2]" 1
83 1 14 LYS H 1 16 VAL QG 5.500 . 5.900 4.086 3.125 5.091 . 0 0 "[ . 1 . 2]" 1
84 1 15 GLY QA 1 53 ASP HA 5.500 . 5.900 5.247 4.200 6.064 0.164 16 0 "[ . 1 . 2]" 1
85 1 15 GLY QA 1 53 ASP QB 4.370 . 4.770 3.339 2.194 4.091 . 0 0 "[ . 1 . 2]" 1
86 1 15 GLY QA 1 53 ASP H 5.070 . 5.470 4.385 3.590 4.927 . 0 0 "[ . 1 . 2]" 1
87 1 15 GLY QA 1 16 VAL HA 5.500 . 5.900 4.012 3.974 4.085 . 0 0 "[ . 1 . 2]" 1
88 1 15 GLY QA 1 16 VAL HB 5.290 . 5.690 5.080 4.522 5.401 . 0 0 "[ . 1 . 2]" 1
89 1 15 GLY QA 1 16 VAL QG 3.870 . 4.270 3.379 3.153 3.657 . 0 0 "[ . 1 . 2]" 1
90 1 15 GLY QA 1 16 VAL H 3.060 . 3.460 2.123 1.994 2.341 . 0 0 "[ . 1 . 2]" 1
91 1 15 GLY QA 1 17 TYR QD 5.330 . 5.730 4.337 3.403 5.322 . 0 0 "[ . 1 . 2]" 1
92 1 15 GLY QA 1 17 TYR QE 5.500 . 5.900 4.021 2.955 5.314 . 0 0 "[ . 1 . 2]" 1
93 1 15 GLY H 1 53 ASP QB 5.210 . 5.610 3.819 2.258 5.102 . 0 0 "[ . 1 . 2]" 1
94 1 15 GLY H 1 16 VAL QG 4.730 . 5.130 4.643 4.437 4.985 . 0 0 "[ . 1 . 2]" 1
95 1 15 GLY H 1 16 VAL H 3.530 . 3.930 4.236 3.916 4.359 0.429 18 0 "[ . 1 . 2]" 1
96 1 16 VAL HA 1 50 LEU QD 4.510 . 4.910 4.171 3.800 4.691 . 0 0 "[ . 1 . 2]" 1
97 1 16 VAL HA 1 52 LYS QB 5.500 . 5.900 3.356 2.727 3.741 . 0 0 "[ . 1 . 2]" 1
98 1 16 VAL HA 1 52 LYS QD 4.670 . 5.070 4.788 3.805 5.870 0.800 16 2 "[ - 1 .+ 2]" 1
99 1 16 VAL HA 1 52 LYS QG 4.320 . 4.720 3.317 2.186 4.327 . 0 0 "[ . 1 . 2]" 1
100 1 16 VAL HA 1 53 ASP HA 5.320 . 5.720 4.879 3.925 5.906 0.186 18 0 "[ . 1 . 2]" 1
101 1 16 VAL HA 1 53 ASP QB 5.500 . 5.900 4.176 3.436 4.954 . 0 0 "[ . 1 . 2]" 1
102 1 16 VAL HA 1 53 ASP H 4.890 . 5.290 2.894 2.235 3.551 . 0 0 "[ . 1 . 2]" 1
103 1 16 VAL HA 1 16 VAL QG 3.130 . 3.290 2.328 2.254 2.402 . 0 0 "[ . 1 . 2]" 1
104 1 16 VAL HA 1 17 TYR HA 5.200 . 5.600 4.470 4.414 4.552 . 0 0 "[ . 1 . 2]" 1
105 1 16 VAL HA 1 17 TYR QB 5.500 . 5.900 4.504 4.195 4.759 . 0 0 "[ . 1 . 2]" 1
106 1 16 VAL HA 1 17 TYR QD 4.870 . 5.270 3.865 3.313 4.190 . 0 0 "[ . 1 . 2]" 1
107 1 16 VAL HA 1 17 TYR QE 5.500 . 5.900 4.549 4.176 5.058 . 0 0 "[ . 1 . 2]" 1
108 1 16 VAL HA 1 17 TYR H 3.170 . 3.570 2.386 2.167 2.646 . 0 0 "[ . 1 . 2]" 1
109 1 16 VAL HB 1 52 LYS QD 4.410 . 4.810 4.290 3.129 5.262 0.452 16 0 "[ . 1 . 2]" 1
110 1 16 VAL HB 1 52 LYS QG 4.410 . 4.810 2.823 2.304 3.308 . 0 0 "[ . 1 . 2]" 1
111 1 16 VAL HB 1 17 TYR QD 5.380 . 5.780 5.407 4.992 6.019 0.239 9 0 "[ . 1 . 2]" 1
112 1 16 VAL HB 1 17 TYR H 3.820 . 4.220 3.049 2.152 4.181 . 0 0 "[ . 1 . 2]" 1
113 1 16 VAL QG 1 27 SER HA 5.500 . 5.900 3.919 2.998 4.757 . 0 0 "[ . 1 . 2]" 1
114 1 16 VAL QG 1 52 LYS HA . . 3.680 2.836 2.150 3.656 . 0 0 "[ . 1 . 2]" 1
115 1 16 VAL QG 1 52 LYS QD 4.000 . 4.040 3.349 2.742 4.284 0.244 5 0 "[ . 1 . 2]" 1
116 1 16 VAL QG 1 52 LYS QG 3.700 . 3.810 2.047 1.789 2.754 0.011 3 0 "[ . 1 . 2]" 1
117 1 16 VAL QG 1 53 ASP QB 5.500 . 5.900 4.568 3.914 5.253 . 0 0 "[ . 1 . 2]" 1
118 1 16 VAL QG 1 53 ASP H 5.080 . 5.460 3.655 2.753 4.730 . 0 0 "[ . 1 . 2]" 1
119 1 16 VAL QG 1 17 TYR HA . . 4.790 3.318 3.164 3.605 . 0 0 "[ . 1 . 2]" 1
120 1 16 VAL QG 1 51 VAL HA 5.120 . 5.520 5.208 4.863 5.562 0.042 9 0 "[ . 1 . 2]" 1
121 1 16 VAL QG 1 51 VAL H 4.920 . 5.320 4.629 4.165 4.891 . 0 0 "[ . 1 . 2]" 1
122 1 16 VAL QG 1 52 LYS QB 4.230 . 4.630 2.911 2.017 3.916 . 0 0 "[ . 1 . 2]" 1
123 1 16 VAL QG 1 52 LYS QE 4.750 . 5.150 4.263 2.863 4.748 . 0 0 "[ . 1 . 2]" 1
124 1 16 VAL QG 1 17 TYR QB 5.500 . 5.900 4.298 3.991 4.634 . 0 0 "[ . 1 . 2]" 1
125 1 16 VAL QG 1 17 TYR QD 5.230 . 5.630 4.394 4.145 4.614 . 0 0 "[ . 1 . 2]" 1
126 1 16 VAL QG 1 17 TYR H 3.860 . 4.260 2.832 2.526 3.172 . 0 0 "[ . 1 . 2]" 1
127 1 16 VAL QG 1 18 TYR HA 5.500 . 5.900 5.106 4.716 5.485 . 0 0 "[ . 1 . 2]" 1
128 1 16 VAL QG 1 18 TYR QD 5.290 . 5.690 4.125 3.194 4.807 . 0 0 "[ . 1 . 2]" 1
129 1 16 VAL QG 1 18 TYR QE 5.500 . 5.900 3.620 2.769 4.304 . 0 0 "[ . 1 . 2]" 1
130 1 16 VAL H 1 52 LYS HA 5.500 . 5.900 4.817 4.649 5.042 . 0 0 "[ . 1 . 2]" 1
131 1 16 VAL H 1 52 LYS QG 5.340 . 5.740 5.248 4.428 6.207 0.467 5 0 "[ . 1 . 2]" 1
132 1 16 VAL H 1 16 VAL HB 3.500 . 3.900 3.463 2.912 3.748 . 0 0 "[ . 1 . 2]" 1
133 1 16 VAL H 1 16 VAL QG 3.280 . 3.680 1.977 1.879 2.102 . 0 0 "[ . 1 . 2]" 1
134 1 16 VAL H 1 17 TYR H 5.320 . 5.720 4.449 4.302 4.528 . 0 0 "[ . 1 . 2]" 1
135 1 17 TYR HA 1 26 TRP H 5.260 . 5.660 3.859 3.183 4.608 . 0 0 "[ . 1 . 2]" 1
136 1 17 TYR HA 1 27 SER HA 4.310 . 4.710 2.902 2.358 3.320 . 0 0 "[ . 1 . 2]" 1
137 1 17 TYR HA 1 17 TYR QD 4.110 . 4.510 3.320 2.371 3.746 . 0 0 "[ . 1 . 2]" 1
138 1 17 TYR HA 1 18 TYR HA 5.260 . 5.660 4.379 4.336 4.423 . 0 0 "[ . 1 . 2]" 1
139 1 17 TYR QB 1 27 SER HA 4.190 . 4.270 3.308 2.195 5.129 0.859 20 2 "[ . 1 - . +]" 1
140 1 17 TYR QB 1 27 SER QB 5.260 . 5.660 4.818 3.783 6.400 0.740 20 2 "[ . 1 - . +]" 1
141 1 17 TYR QB 1 25 THR MG 5.500 . 5.900 2.546 1.978 3.515 . 0 0 "[ . 1 . 2]" 1
142 1 17 TYR QB 1 26 TRP H 5.500 . 5.900 3.006 2.464 3.836 . 0 0 "[ . 1 . 2]" 1
143 1 17 TYR QB 1 51 VAL QG 5.500 . 5.900 3.394 2.074 4.514 . 0 0 "[ . 1 . 2]" 1
144 1 17 TYR QB 1 18 TYR H 4.250 . 4.650 2.759 2.152 3.392 . 0 0 "[ . 1 . 2]" 1
145 1 17 TYR QD 1 19 ARG HA 5.310 . 5.710 5.484 4.137 6.763 1.053 7 7 "[ * * + * * .* -]" 1
146 1 17 TYR QD 1 19 ARG QB 5.310 . 5.710 4.151 2.669 6.075 0.365 13 0 "[ . 1 . 2]" 1
147 1 17 TYR QD 1 19 ARG QD 4.980 . 5.330 5.008 3.776 7.035 1.705 10 5 "[ - * + .* *]" 1
148 1 17 TYR QD 1 25 THR HA 4.630 . 5.030 4.501 3.561 5.830 0.800 3 1 "[ + . 1 . 2]" 1
149 1 17 TYR QD 1 25 THR HB 4.180 . 4.580 3.020 2.029 3.827 . 0 0 "[ . 1 . 2]" 1
150 1 17 TYR QD 1 25 THR MG 3.690 . 4.090 2.679 2.092 3.533 . 0 0 "[ . 1 . 2]" 1
151 1 17 TYR QD 1 27 SER HA 4.580 . 4.980 3.773 2.176 4.789 . 0 0 "[ . 1 . 2]" 1
152 1 17 TYR QD 1 27 SER QB 5.500 . 5.900 4.791 3.145 5.966 0.066 1 0 "[ . 1 . 2]" 1
153 1 17 TYR QD 1 51 VAL HB 5.080 . 5.480 4.804 2.270 6.260 0.780 16 1 "[ . 1 .+ 2]" 1
154 1 17 TYR QD 1 51 VAL QG 4.340 . 4.740 2.621 1.891 4.091 . 0 0 "[ . 1 . 2]" 1
155 1 17 TYR QD 1 52 LYS HA 5.290 . 5.690 4.335 3.657 4.929 . 0 0 "[ . 1 . 2]" 1
156 1 17 TYR QD 1 53 ASP HA 5.500 . 5.900 4.484 2.666 6.315 0.415 18 0 "[ . 1 . 2]" 1
157 1 17 TYR QD 1 53 ASP QB 5.200 . 5.600 4.765 3.514 5.832 0.232 6 0 "[ . 1 . 2]" 1
158 1 17 TYR QE 1 19 ARG QB 5.110 . 5.510 5.379 2.821 7.872 2.362 13 7 "[ - * * * + .* *]" 1
159 1 17 TYR QE 1 19 ARG QD 4.540 . 4.910 5.356 2.491 8.617 3.707 10 8 "[ * * * + * -* *]" 1
160 1 17 TYR QE 1 25 THR HA 5.440 . 5.840 6.276 5.144 7.752 1.912 3 9 "[ + * * 1 * *-** *2]" 1
161 1 17 TYR QE 1 25 THR HB 4.810 . 5.210 4.580 3.742 5.626 0.416 3 0 "[ . 1 . 2]" 1
162 1 17 TYR QE 1 25 THR MG 3.610 . 4.010 3.695 2.558 4.920 0.910 5 5 "[ * + * * .- 2]" 1
163 1 17 TYR QE 1 51 VAL HB 4.790 . 5.190 5.513 2.742 8.287 3.097 16 8 "[ * * * * * -+ *]" 1
164 1 17 TYR QE 1 51 VAL QG 3.920 . 4.320 3.265 1.954 5.749 1.429 20 5 "[ * * * .- +]" 1
165 1 17 TYR QE 1 52 LYS HA 5.500 . 5.900 4.732 3.872 5.844 . 0 0 "[ . 1 . 2]" 1
166 1 17 TYR QE 1 53 ASP HA 4.050 . 4.450 3.171 2.195 4.637 0.187 18 0 "[ . 1 . 2]" 1
167 1 17 TYR QE 1 53 ASP QB 4.670 . 5.070 3.548 2.177 4.745 . 0 0 "[ . 1 . 2]" 1
168 1 17 TYR QE 1 53 ASP H 5.370 . 5.770 4.376 3.671 5.179 . 0 0 "[ . 1 . 2]" 1
169 1 17 TYR H 1 50 LEU QD 4.400 . 4.800 3.247 2.899 3.976 . 0 0 "[ . 1 . 2]" 1
170 1 17 TYR H 1 50 LEU HG 4.970 . 5.370 5.274 4.511 6.066 0.696 20 3 "[ - .* 1 . +]" 1
171 1 17 TYR H 1 51 VAL QG 4.900 . 5.300 3.402 2.583 4.111 . 0 0 "[ . 1 . 2]" 1
172 1 17 TYR H 1 51 VAL H 4.280 . 4.680 3.767 3.445 4.304 . 0 0 "[ . 1 . 2]" 1
173 1 17 TYR H 1 52 LYS HA 4.380 . 4.780 2.743 2.316 3.067 . 0 0 "[ . 1 . 2]" 1
174 1 17 TYR H 1 52 LYS QD 5.210 . 5.610 4.686 3.825 6.526 0.916 16 1 "[ . 1 .+ 2]" 1
175 1 17 TYR H 1 52 LYS QG 5.060 . 5.460 3.938 3.046 4.662 . 0 0 "[ . 1 . 2]" 1
176 1 17 TYR H 1 17 TYR QD 4.570 . 4.970 3.321 2.944 3.774 . 0 0 "[ . 1 . 2]" 1
177 1 17 TYR H 1 18 TYR H 4.960 . 5.360 4.293 4.098 4.409 . 0 0 "[ . 1 . 2]" 1
178 1 18 TYR HA 1 19 ARG HA 5.500 . 5.900 4.427 4.406 4.466 . 0 0 "[ . 1 . 2]" 1
179 1 18 TYR HA 1 19 ARG QB 5.500 . 5.900 4.021 3.967 4.112 . 0 0 "[ . 1 . 2]" 1
180 1 18 TYR HA 1 25 THR HA 5.500 . 5.900 5.159 5.019 5.299 . 0 0 "[ . 1 . 2]" 1
181 1 18 TYR HA 1 25 THR HB 5.500 . 5.900 5.979 5.561 6.268 0.368 18 0 "[ . 1 . 2]" 1
182 1 18 TYR HA 1 49 PHE QD 5.500 . 5.900 3.223 2.986 3.680 . 0 0 "[ . 1 . 2]" 1
183 1 18 TYR HA 1 50 LEU HA 3.950 . 4.350 2.565 2.253 3.083 . 0 0 "[ . 1 . 2]" 1
184 1 18 TYR HA 1 50 LEU HB2 5.500 . 5.900 4.926 4.348 5.732 . 0 0 "[ . 1 . 2]" 1
185 1 18 TYR HA 1 50 LEU HB3 5.500 . 5.900 5.482 5.048 5.979 0.079 20 0 "[ . 1 . 2]" 1
186 1 18 TYR HA 1 50 LEU QD 4.650 . 5.050 3.461 2.529 4.444 . 0 0 "[ . 1 . 2]" 1
187 1 18 TYR HA 1 50 LEU HG 5.500 . 5.900 4.378 3.556 5.586 . 0 0 "[ . 1 . 2]" 1
188 1 18 TYR HA 1 51 VAL HB 5.300 . 5.700 5.116 3.960 6.295 0.595 10 2 "[ . + - . 2]" 1
189 1 18 TYR HA 1 51 VAL QG 4.180 . 4.580 3.333 2.915 4.200 . 0 0 "[ . 1 . 2]" 1
190 1 18 TYR HA 1 51 VAL H 4.590 . 4.990 2.731 2.456 2.972 . 0 0 "[ . 1 . 2]" 1
191 1 18 TYR HA 1 18 TYR QE 4.910 . 5.310 4.712 4.650 4.775 . 0 0 "[ . 1 . 2]" 1
192 1 18 TYR QB 1 19 ARG HA 4.740 . 5.140 4.178 3.977 4.325 . 0 0 "[ . 1 . 2]" 1
193 1 18 TYR QB 1 19 ARG H 4.570 . 4.970 3.140 2.769 3.369 . 0 0 "[ . 1 . 2]" 1
194 1 18 TYR QB 1 25 THR HA 5.180 . 5.580 4.276 3.998 4.492 . 0 0 "[ . 1 . 2]" 1
195 1 18 TYR QB 1 26 TRP HB2 4.190 . 4.590 3.608 3.337 4.029 . 0 0 "[ . 1 . 2]" 1
196 1 18 TYR QB 1 26 TRP HZ3 5.500 . 5.900 4.524 4.114 4.938 . 0 0 "[ . 1 . 2]" 1
197 1 18 TYR QB 1 36 LEU QD 5.500 . 5.900 2.589 2.245 2.998 . 0 0 "[ . 1 . 2]" 1
198 1 18 TYR QB 1 50 LEU HA 5.500 . 5.520 4.006 3.704 4.470 . 0 0 "[ . 1 . 2]" 1
199 1 18 TYR QB 1 50 LEU HG 5.500 . 5.900 5.173 4.151 6.708 0.808 13 5 "[ * * 1*-+ . 2]" 1
200 1 18 TYR QB 1 50 LEU QD 5.330 . 5.730 4.332 3.795 4.932 . 0 0 "[ . 1 . 2]" 1
201 1 18 TYR QB 1 51 VAL QG 5.340 . 5.740 4.722 4.392 5.426 . 0 0 "[ . 1 . 2]" 1
202 1 18 TYR QD 1 19 ARG H 5.500 . 5.900 4.295 3.989 4.472 . 0 0 "[ . 1 . 2]" 1
203 1 18 TYR QD 1 28 GLY HA2 5.500 . 5.900 3.701 3.275 4.280 . 0 0 "[ . 1 . 2]" 1
204 1 18 TYR QD 1 28 GLY HA3 5.470 . 5.870 3.968 3.181 4.910 . 0 0 "[ . 1 . 2]" 1
205 1 18 TYR QD 1 46 LYS QB 5.410 . 5.810 2.672 2.353 3.089 . 0 0 "[ . 1 . 2]" 1
206 1 18 TYR QD 1 46 LYS QD 5.340 . 5.740 4.049 3.784 4.286 . 0 0 "[ . 1 . 2]" 1
207 1 18 TYR QD 1 46 LYS HG2 5.500 . 5.900 5.335 5.120 5.589 . 0 0 "[ . 1 . 2]" 1
208 1 18 TYR QD 1 49 PHE HB2 5.470 . 5.870 5.050 4.748 5.483 . 0 0 "[ . 1 . 2]" 1
209 1 18 TYR QD 1 50 LEU HA 5.350 . 5.750 3.136 2.529 3.663 . 0 0 "[ . 1 . 2]" 1
210 1 18 TYR QE 1 28 GLY HA2 5.220 . 5.620 2.983 2.336 3.706 . 0 0 "[ . 1 . 2]" 1
211 1 18 TYR QE 1 28 GLY HA3 4.720 . 5.120 2.708 2.203 3.367 . 0 0 "[ . 1 . 2]" 1
212 1 18 TYR QE 1 46 LYS HA 5.500 . 5.900 4.190 3.884 4.628 . 0 0 "[ . 1 . 2]" 1
213 1 18 TYR QE 1 46 LYS QB 4.720 . 5.120 2.551 2.021 3.208 . 0 0 "[ . 1 . 2]" 1
214 1 18 TYR QE 1 46 LYS QD 4.990 . 5.390 3.016 2.617 3.282 . 0 0 "[ . 1 . 2]" 1
215 1 18 TYR QE 1 46 LYS QE 5.430 . 5.830 4.253 3.304 4.710 . 0 0 "[ . 1 . 2]" 1
216 1 18 TYR QE 1 46 LYS HG3 4.730 . 5.130 2.624 2.098 3.989 . 0 0 "[ . 1 . 2]" 1
217 1 18 TYR QE 1 46 LYS HG2 5.060 . 5.460 4.159 3.715 5.061 . 0 0 "[ . 1 . 2]" 1
218 1 18 TYR QE 1 47 GLU HA 4.430 . 4.830 2.694 2.273 3.192 . 0 0 "[ . 1 . 2]" 1
219 1 18 TYR QE 1 47 GLU HB3 5.500 . 5.900 4.916 4.333 5.538 . 0 0 "[ . 1 . 2]" 1
220 1 18 TYR QE 1 47 GLU HB2 5.500 . 5.900 5.139 4.767 5.534 . 0 0 "[ . 1 . 2]" 1
221 1 18 TYR QE 1 47 GLU QG 5.050 . 5.450 3.759 3.179 4.147 . 0 0 "[ . 1 . 2]" 1
222 1 18 TYR QE 1 50 LEU HA 5.500 . 5.900 4.081 3.534 4.696 . 0 0 "[ . 1 . 2]" 1
223 1 18 TYR QE 1 50 LEU HB2 4.850 . 5.250 3.276 2.305 4.277 . 0 0 "[ . 1 . 2]" 1
224 1 18 TYR QE 1 50 LEU HB3 4.940 . 5.340 4.673 4.014 5.229 . 0 0 "[ . 1 . 2]" 1
225 1 18 TYR QE 1 50 LEU QD 3.970 . 4.370 2.617 2.237 2.955 . 0 0 "[ . 1 . 2]" 1
226 1 18 TYR QE 1 50 LEU HG 4.660 . 5.060 3.394 2.307 5.007 . 0 0 "[ . 1 . 2]" 1
227 1 18 TYR QE 1 50 LEU H 5.500 . 5.900 4.963 4.599 5.429 . 0 0 "[ . 1 . 2]" 1
228 1 18 TYR H 1 25 THR HA 5.500 . 5.900 4.059 3.547 4.470 . 0 0 "[ . 1 . 2]" 1
229 1 18 TYR H 1 25 THR HB 5.100 . 5.500 4.153 3.671 4.523 . 0 0 "[ . 1 . 2]" 1
230 1 18 TYR H 1 25 THR MG 5.500 . 5.900 4.124 3.529 4.754 . 0 0 "[ . 1 . 2]" 1
231 1 18 TYR H 1 26 TRP HB3 5.090 . 5.490 3.062 2.871 3.344 . 0 0 "[ . 1 . 2]" 1
232 1 18 TYR H 1 26 TRP H 5.400 . 5.800 2.302 2.020 2.663 . 0 0 "[ . 1 . 2]" 1
233 1 18 TYR H 1 27 SER HA 5.240 . 5.640 4.201 4.006 4.414 . 0 0 "[ . 1 . 2]" 1
234 1 19 ARG HA 1 19 ARG QD 4.660 . 5.060 4.000 3.799 4.150 . 0 0 "[ . 1 . 2]" 1
235 1 19 ARG HA 1 24 GLN H 5.420 . 5.820 5.011 4.520 5.349 . 0 0 "[ . 1 . 2]" 1
236 1 19 ARG HA 1 25 THR HA 3.920 . 4.320 2.801 2.493 2.974 . 0 0 "[ . 1 . 2]" 1
237 1 19 ARG HA 1 25 THR HB 5.110 . 5.510 4.938 4.508 5.199 . 0 0 "[ . 1 . 2]" 1
238 1 19 ARG HA 1 25 THR MG 3.740 . 4.140 2.905 2.512 3.361 . 0 0 "[ . 1 . 2]" 1
239 1 19 ARG HA 1 25 THR H 5.500 . 5.900 5.108 4.894 5.290 . 0 0 "[ . 1 . 2]" 1
240 1 19 ARG HA 1 26 TRP H 5.220 . 5.620 4.173 3.791 4.452 . 0 0 "[ . 1 . 2]" 1
241 1 19 ARG HA 1 51 VAL QG 4.330 . 4.730 4.190 3.857 5.152 0.422 3 0 "[ . 1 . 2]" 1
242 1 19 ARG QB 1 19 ARG HE 4.780 . 5.110 2.319 1.951 2.714 . 0 0 "[ . 1 . 2]" 1
243 1 19 ARG QB 1 20 ASN H 5.060 . 5.460 3.474 2.897 3.787 . 0 0 "[ . 1 . 2]" 1
244 1 19 ARG QB 1 25 THR HA 5.500 . 5.900 3.972 3.215 4.591 . 0 0 "[ . 1 . 2]" 1
245 1 19 ARG QB 1 25 THR HB 5.500 . 5.900 4.864 4.150 5.686 . 0 0 "[ . 1 . 2]" 1
246 1 19 ARG QB 1 25 THR MG 4.090 . 4.490 2.484 1.998 3.436 . 0 0 "[ . 1 . 2]" 1
247 1 19 ARG QB 1 51 VAL HB 4.750 . 5.150 3.718 2.675 4.917 . 0 0 "[ . 1 . 2]" 1
248 1 19 ARG QB 1 51 VAL QG 3.810 . 4.210 2.236 1.863 3.227 . 0 0 "[ . 1 . 2]" 1
249 1 19 ARG QD 1 23 GLY HA2 5.060 . 5.230 3.265 2.572 4.062 . 0 0 "[ . 1 . 2]" 1
250 1 19 ARG QD 1 25 THR HA 5.500 . 5.900 5.148 4.340 5.863 . 0 0 "[ . 1 . 2]" 1
251 1 19 ARG QD 1 25 THR MG . . 4.080 2.961 2.247 3.768 . 0 0 "[ . 1 . 2]" 1
252 1 19 ARG QD 1 51 VAL HB 5.500 . 5.900 4.753 3.956 5.617 . 0 0 "[ . 1 . 2]" 1
253 1 19 ARG QD 1 51 VAL QG 3.580 . 3.980 2.883 2.498 3.666 . 0 0 "[ . 1 . 2]" 1
254 1 19 ARG QD 1 23 GLY HA3 5.310 . 5.710 4.621 3.910 5.226 . 0 0 "[ . 1 . 2]" 1
255 1 19 ARG QD 1 24 GLN HA 5.390 . 5.790 5.786 5.066 6.483 0.693 10 2 "[ . + . -]" 1
256 1 19 ARG QD 1 25 THR HB 5.500 . 5.900 5.652 4.786 6.600 0.700 10 2 "[ . + . -]" 1
257 1 19 ARG HE 1 23 GLY HA2 5.500 . 5.900 5.026 4.279 5.592 . 0 0 "[ . 1 . 2]" 1
258 1 19 ARG HE 1 25 THR MG 5.410 . 5.810 4.929 4.196 5.450 . 0 0 "[ . 1 . 2]" 1
259 1 19 ARG HE 1 51 VAL HB 5.500 . 5.900 5.171 3.137 6.568 0.668 13 2 "[ . - + . 2]" 1
260 1 19 ARG HE 1 51 VAL QG 4.760 . 5.160 3.485 2.213 4.519 . 0 0 "[ . 1 . 2]" 1
261 1 19 ARG HG3 1 20 ASN H 4.860 . 5.260 3.153 2.486 3.744 . 0 0 "[ . 1 . 2]" 1
262 1 19 ARG HG3 1 23 GLY HA3 5.500 . 5.900 4.958 4.412 5.859 . 0 0 "[ . 1 . 2]" 1
263 1 19 ARG HG3 1 23 GLY HA2 5.390 . 5.790 3.508 2.904 4.479 . 0 0 "[ . 1 . 2]" 1
264 1 19 ARG HG3 1 24 GLN QG 5.500 . 5.900 6.108 4.763 6.656 0.756 13 7 "[ - . * 1* + ** *2]" 1
265 1 19 ARG HG3 1 25 THR HA 5.500 . 5.900 3.828 3.295 4.425 . 0 0 "[ . 1 . 2]" 1
266 1 19 ARG HG3 1 25 THR HB 5.500 . 5.900 5.137 4.468 5.675 . 0 0 "[ . 1 . 2]" 1
267 1 19 ARG HG3 1 51 VAL QG 4.510 . 4.910 4.060 3.642 4.938 0.028 3 0 "[ . 1 . 2]" 1
268 1 19 ARG HG2 1 20 ASN H 4.870 . 5.270 2.531 2.019 3.269 . 0 0 "[ . 1 . 2]" 1
269 1 19 ARG HG2 1 23 GLY HA3 5.260 . 5.660 4.885 4.472 5.138 . 0 0 "[ . 1 . 2]" 1
270 1 19 ARG HG2 1 23 GLY HA2 5.150 . 5.550 3.182 2.779 3.415 . 0 0 "[ . 1 . 2]" 1
271 1 19 ARG HG2 1 25 THR HA 5.500 . 5.900 5.049 4.417 5.398 . 0 0 "[ . 1 . 2]" 1
272 1 19 ARG HG2 1 25 THR MG 4.570 . 4.970 3.740 3.119 4.096 . 0 0 "[ . 1 . 2]" 1
273 1 19 ARG HG2 1 51 VAL QG 4.620 . 5.020 4.377 3.696 5.466 0.446 3 0 "[ . 1 . 2]" 1
274 1 19 ARG H 1 19 ARG QD 5.500 . 5.900 4.911 4.627 5.251 . 0 0 "[ . 1 . 2]" 1
275 1 19 ARG H 1 49 PHE HB2 4.530 . 4.930 3.256 2.760 3.771 . 0 0 "[ . 1 . 2]" 1
276 1 19 ARG H 1 50 LEU HA 5.300 . 5.700 3.779 3.207 4.341 . 0 0 "[ . 1 . 2]" 1
277 1 19 ARG H 1 51 VAL HB 5.500 . 5.900 4.685 3.705 6.155 0.255 19 0 "[ . 1 . 2]" 1
278 1 19 ARG H 1 51 VAL QG 4.530 . 4.930 2.938 2.347 4.135 . 0 0 "[ . 1 . 2]" 1
279 1 19 ARG H 1 51 VAL H 5.050 . 5.450 3.518 3.253 3.803 . 0 0 "[ . 1 . 2]" 1
280 1 20 ASN HA 1 21 GLU HA 4.840 . 5.240 4.291 4.261 4.328 . 0 0 "[ . 1 . 2]" 1
281 1 20 ASN HA 1 21 GLU QB 4.820 . 5.220 4.793 4.492 4.924 . 0 0 "[ . 1 . 2]" 1
282 1 20 ASN HA 1 21 GLU HG2 5.240 . 5.640 4.765 4.461 5.422 . 0 0 "[ . 1 . 2]" 1
283 1 20 ASN HA 1 22 GLU H 5.020 . 5.420 4.418 4.279 4.592 . 0 0 "[ . 1 . 2]" 1
284 1 20 ASN HA 1 49 PHE QD 4.160 . 4.560 4.419 3.753 4.913 0.353 5 0 "[ . 1 . 2]" 1
285 1 20 ASN HA 1 49 PHE QE 5.150 . 5.550 5.360 4.871 5.825 0.275 5 0 "[ . 1 . 2]" 1
286 1 20 ASN QB 1 21 GLU H 4.430 . 4.460 2.290 2.140 2.470 . 0 0 "[ . 1 . 2]" 1
287 1 20 ASN QB 1 24 GLN QE 5.500 . 5.900 7.381 4.849 8.756 2.856 5 17 "[****+*** **-* *****2]" 1
288 1 20 ASN QB 1 35 TRP HZ2 5.500 . 5.900 5.604 5.050 6.630 0.730 18 1 "[ . 1 . + 2]" 1
289 1 20 ASN QB 1 49 PHE HB2 5.500 . 5.900 4.833 4.071 5.756 . 0 0 "[ . 1 . 2]" 1
290 1 20 ASN QB 1 49 PHE QE 5.500 . 5.900 4.217 3.731 4.696 . 0 0 "[ . 1 . 2]" 1
291 1 20 ASN QB 1 21 GLU HA 4.880 . 5.280 4.730 4.631 4.842 . 0 0 "[ . 1 . 2]" 1
292 1 20 ASN QB 1 21 GLU QB 4.660 . 5.060 4.565 4.357 4.760 . 0 0 "[ . 1 . 2]" 1
293 1 20 ASN QB 1 21 GLU HG2 5.500 . 5.900 3.482 3.102 4.270 . 0 0 "[ . 1 . 2]" 1
294 1 20 ASN HD22 1 21 GLU HG2 5.360 . 5.760 4.953 4.668 5.206 . 0 0 "[ . 1 . 2]" 1
295 1 20 ASN HD22 1 24 GLN HA 5.390 . 5.790 4.964 4.366 5.929 0.139 2 0 "[ . 1 . 2]" 1
296 1 20 ASN HD22 1 24 GLN HB3 5.500 . 5.900 4.271 3.839 5.052 . 0 0 "[ . 1 . 2]" 1
297 1 20 ASN HD22 1 24 GLN QG . . 4.520 3.004 1.919 4.187 . 0 0 "[ . 1 . 2]" 1
298 1 20 ASN HD21 1 22 GLU HB2 5.500 . 5.900 3.688 3.207 4.613 . 0 0 "[ . 1 . 2]" 1
299 1 20 ASN HD21 1 22 GLU QG 5.500 . 5.900 5.201 4.692 5.681 . 0 0 "[ . 1 . 2]" 1
300 1 20 ASN HD21 1 24 GLN HA 5.500 . 5.900 5.086 4.641 5.898 . 0 0 "[ . 1 . 2]" 1
301 1 20 ASN HD21 1 24 GLN HB2 5.500 . 5.900 3.244 2.495 5.212 . 0 0 "[ . 1 . 2]" 1
302 1 20 ASN HD21 1 24 GLN QG 4.890 . 5.080 3.966 2.298 5.115 0.035 5 0 "[ . 1 . 2]" 1
303 1 20 ASN HD21 1 25 THR HA 5.500 . 5.900 4.666 4.044 5.506 . 0 0 "[ . 1 . 2]" 1
304 1 20 ASN H 1 25 THR HA 4.830 . 5.230 4.434 3.904 4.837 . 0 0 "[ . 1 . 2]" 1
305 1 20 ASN H 1 25 THR MG 4.710 . 5.110 4.348 3.995 4.753 . 0 0 "[ . 1 . 2]" 1
306 1 20 ASN H 1 51 VAL QG 5.500 . 5.900 5.461 4.990 6.492 0.592 3 1 "[ + . 1 . 2]" 1
307 1 21 GLU HA 1 21 GLU HB3 2.770 . 3.170 2.292 2.230 2.442 . 0 0 "[ . 1 . 2]" 1
308 1 21 GLU HA 1 21 GLU HG3 4.070 . 4.470 4.219 4.194 4.233 . 0 0 "[ . 1 . 2]" 1
309 1 21 GLU HA 1 21 GLU HG2 3.630 . 4.030 3.652 3.630 3.671 . 0 0 "[ . 1 . 2]" 1
310 1 21 GLU HA 1 23 GLY H 4.510 . 4.910 3.719 3.591 3.867 . 0 0 "[ . 1 . 2]" 1
311 1 21 GLU HB2 1 21 GLU HG2 3.000 . 3.400 2.668 2.621 2.716 . 0 0 "[ . 1 . 2]" 1
312 1 21 GLU HB3 1 21 GLU HG3 2.650 . 3.050 2.641 2.589 2.690 . 0 0 "[ . 1 . 2]" 1
313 1 21 GLU QB 1 22 GLU HA 4.330 . 4.730 4.146 4.006 4.412 . 0 0 "[ . 1 . 2]" 1
314 1 21 GLU QB 1 22 GLU H 4.040 . 4.440 3.495 3.338 3.622 . 0 0 "[ . 1 . 2]" 1
315 1 21 GLU QB 1 23 GLY H 4.900 . 5.300 4.747 4.658 4.927 . 0 0 "[ . 1 . 2]" 1
316 1 21 GLU HG3 1 22 GLU HA 4.960 . 5.360 5.145 4.761 5.619 0.259 6 0 "[ . 1 . 2]" 1
317 1 21 GLU HG3 1 22 GLU H 4.600 . 5.000 4.009 3.715 4.461 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLU HG3 1 23 GLY H 5.500 . 5.900 6.217 5.994 6.512 0.612 6 1 "[ .+ 1 . 2]" 1
319 1 21 GLU HG2 1 22 GLU HA 4.710 . 5.110 4.283 3.460 4.759 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLU HG2 1 22 GLU H 4.550 . 4.950 2.439 2.074 2.950 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLU HG2 1 23 GLY H 5.500 . 5.900 4.808 4.523 5.168 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLU H 1 21 GLU HB2 3.560 . 3.960 3.565 3.512 3.598 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLU H 1 21 GLU QB 3.590 . 3.990 2.745 2.436 2.875 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLU H 1 21 GLU HG3 4.030 . 4.430 3.530 3.372 3.832 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLU H 1 21 GLU HG2 4.020 . 4.420 2.326 2.065 3.012 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLU H 1 22 GLU HA 5.120 . 5.520 5.375 5.347 5.417 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLU H 1 22 GLU QG 4.990 . 5.390 5.111 4.339 6.484 1.094 6 4 "[ .+-* 1* . 2]" 1
328 1 21 GLU H 1 22 GLU H 4.090 . 4.490 2.823 2.756 2.886 . 0 0 "[ . 1 . 2]" 1
329 1 21 GLU H 1 23 GLY H 5.480 . 5.880 4.238 4.098 4.338 . 0 0 "[ . 1 . 2]" 1
330 1 22 GLU HA 1 22 GLU QG 2.850 . 3.250 2.313 2.182 2.439 . 0 0 "[ . 1 . 2]" 1
331 1 22 GLU HB3 1 23 GLY H 4.910 . 5.310 3.781 3.106 4.165 . 0 0 "[ . 1 . 2]" 1
332 1 22 GLU HB3 1 24 GLN HB2 5.500 . 5.900 4.050 2.956 6.119 0.219 14 0 "[ . 1 . 2]" 1
333 1 22 GLU HB3 1 24 GLN QE 5.410 . 5.810 3.921 2.398 5.400 . 0 0 "[ . 1 . 2]" 1
334 1 22 GLU HB3 1 24 GLN QG 4.910 . 5.310 2.564 1.795 4.451 0.005 17 0 "[ . 1 . 2]" 1
335 1 22 GLU HB3 1 24 GLN H 4.400 . 4.800 3.002 2.366 3.651 . 0 0 "[ . 1 . 2]" 1
336 1 22 GLU HB2 1 23 GLY HA3 5.500 . 5.900 5.344 4.936 5.972 0.072 8 0 "[ . 1 . 2]" 1
337 1 22 GLU HB2 1 24 GLN HB2 5.500 . 5.900 4.115 3.262 6.025 0.125 9 0 "[ . 1 . 2]" 1
338 1 22 GLU HB2 1 24 GLN QE 5.500 . 5.900 4.837 2.783 6.350 0.450 11 0 "[ . 1 . 2]" 1
339 1 22 GLU HB2 1 24 GLN H 4.500 . 4.900 3.223 2.630 4.359 . 0 0 "[ . 1 . 2]" 1
340 1 22 GLU QG 1 23 GLY H 4.620 . 5.020 4.451 4.101 4.605 . 0 0 "[ . 1 . 2]" 1
341 1 22 GLU QG 1 24 GLN QE 4.850 . 5.250 4.656 2.847 6.683 1.433 5 5 "[* -*+ 1 . * 2]" 1
342 1 22 GLU H 1 22 GLU HB3 3.900 . 4.300 3.374 2.562 3.601 . 0 0 "[ . 1 . 2]" 1
343 1 22 GLU H 1 22 GLU HB2 4.100 . 4.500 2.295 2.134 2.523 . 0 0 "[ . 1 . 2]" 1
344 1 22 GLU H 1 22 GLU QG 3.560 . 3.960 2.945 2.265 3.974 0.014 6 0 "[ . 1 . 2]" 1
345 1 22 GLU H 1 23 GLY HA3 5.140 . 5.540 5.221 5.158 5.247 . 0 0 "[ . 1 . 2]" 1
346 1 22 GLU H 1 23 GLY HA2 5.480 . 5.880 4.879 4.794 4.916 . 0 0 "[ . 1 . 2]" 1
347 1 22 GLU H 1 23 GLY H 3.870 . 4.270 2.583 2.484 2.620 . 0 0 "[ . 1 . 2]" 1
348 1 22 GLU H 1 24 GLN QE 5.500 . 5.780 6.652 4.765 8.244 2.464 5 12 "[* **+**- 1* ** **2]" 1
349 1 22 GLU H 1 24 GLN H 5.210 . 5.610 3.991 3.802 4.391 . 0 0 "[ . 1 . 2]" 1
350 1 23 GLY HA3 1 24 GLN HA 4.820 . 5.220 4.448 4.373 4.501 . 0 0 "[ . 1 . 2]" 1
351 1 23 GLY HA3 1 24 GLN QG 5.500 . 5.900 4.472 4.080 5.526 . 0 0 "[ . 1 . 2]" 1
352 1 23 GLY HA3 1 25 THR MG 5.260 . 5.660 5.507 5.072 5.879 0.219 14 0 "[ . 1 . 2]" 1
353 1 23 GLY HA2 1 25 THR MG 5.500 . 5.900 4.695 4.409 4.962 . 0 0 "[ . 1 . 2]" 1
354 1 24 GLN HA 1 25 THR HA 5.240 . 5.640 4.426 4.382 4.480 . 0 0 "[ . 1 . 2]" 1
355 1 24 GLN HA 1 25 THR MG 4.900 . 5.300 3.907 3.527 4.175 . 0 0 "[ . 1 . 2]" 1
356 1 24 GLN HA 1 25 THR H 3.370 . 3.770 2.338 2.217 2.486 . 0 0 "[ . 1 . 2]" 1
357 1 24 GLN HB2 1 25 THR MG 5.500 . 5.900 5.218 5.002 5.463 . 0 0 "[ . 1 . 2]" 1
358 1 24 GLN HB2 1 25 THR H 5.190 . 5.590 3.544 2.513 4.032 . 0 0 "[ . 1 . 2]" 1
359 1 24 GLN HB2 1 35 TRP HE1 5.500 . 5.900 2.899 2.213 4.023 . 0 0 "[ . 1 . 2]" 1
360 1 24 GLN HB3 1 25 THR H 4.760 . 5.160 2.840 2.448 3.822 . 0 0 "[ . 1 . 2]" 1
361 1 24 GLN HB3 1 35 TRP HD1 5.500 . 5.900 4.418 3.568 6.061 0.161 14 0 "[ . 1 . 2]" 1
362 1 24 GLN HB3 1 35 TRP HE1 5.500 . 5.900 2.778 2.198 4.930 . 0 0 "[ . 1 . 2]" 1
363 1 24 GLN QG 1 25 THR MG 5.500 . 5.900 5.637 4.959 5.979 0.079 16 0 "[ . 1 . 2]" 1
364 1 24 GLN QG 1 25 THR H 4.730 . 5.020 4.369 3.677 4.582 . 0 0 "[ . 1 . 2]" 1
365 1 24 GLN QG 1 35 TRP HE1 5.500 . 5.900 3.101 2.309 3.739 . 0 0 "[ . 1 . 2]" 1
366 1 24 GLN H 1 24 GLN QE 4.930 . 5.330 4.571 3.824 5.117 . 0 0 "[ . 1 . 2]" 1
367 1 24 GLN H 1 24 GLN QG 3.980 . 4.380 2.157 1.744 2.658 0.056 20 0 "[ . 1 . 2]" 1
368 1 24 GLN H 1 25 THR H 4.560 . 4.960 4.609 4.540 4.639 . 0 0 "[ . 1 . 2]" 1
369 1 25 THR HA 1 26 TRP HA 5.500 . 5.900 4.431 4.393 4.468 . 0 0 "[ . 1 . 2]" 1
370 1 25 THR HA 1 26 TRP HB3 5.500 . 5.900 4.459 4.369 4.542 . 0 0 "[ . 1 . 2]" 1
371 1 25 THR HA 1 51 VAL QG 5.500 . 5.900 4.989 4.464 5.766 . 0 0 "[ . 1 . 2]" 1
372 1 25 THR HB 1 26 TRP H 4.230 . 4.630 2.982 2.586 3.311 . 0 0 "[ . 1 . 2]" 1
373 1 25 THR MG 1 26 TRP HA 5.500 . 5.900 5.360 5.215 5.510 . 0 0 "[ . 1 . 2]" 1
374 1 25 THR MG 1 26 TRP H 4.320 . 4.720 3.404 3.066 3.719 . 0 0 "[ . 1 . 2]" 1
375 1 25 THR MG 1 51 VAL QG . . 5.070 3.152 2.298 3.752 . 0 0 "[ . 1 . 2]" 1
376 1 25 THR H 1 25 THR MG 4.220 . 4.620 3.278 2.950 3.471 . 0 0 "[ . 1 . 2]" 1
377 1 26 TRP HA 1 26 TRP HD1 4.280 . 4.680 2.427 2.324 2.525 . 0 0 "[ . 1 . 2]" 1
378 1 26 TRP HA 1 27 SER HA 5.210 . 5.610 4.373 4.344 4.400 . 0 0 "[ . 1 . 2]" 1
379 1 26 TRP HA 1 27 SER QB 5.100 . 5.500 4.631 4.459 4.756 . 0 0 "[ . 1 . 2]" 1
380 1 26 TRP HA 1 33 PRO HG3 5.500 . 5.900 3.789 3.537 4.120 . 0 0 "[ . 1 . 2]" 1
381 1 26 TRP HA 1 35 TRP HE1 5.500 . 5.900 5.702 4.836 6.337 0.437 12 0 "[ . 1 . 2]" 1
382 1 26 TRP HB2 1 27 SER H 5.390 . 5.790 4.194 4.064 4.304 . 0 0 "[ . 1 . 2]" 1
383 1 26 TRP HB2 1 33 PRO HG2 5.500 . 5.900 2.837 1.983 3.349 . 0 0 "[ . 1 . 2]" 1
384 1 26 TRP HB2 1 33 PRO HG3 5.500 . 5.900 2.499 2.015 3.444 . 0 0 "[ . 1 . 2]" 1
385 1 26 TRP HB2 1 35 TRP HZ2 5.500 . 5.900 2.656 2.108 3.269 . 0 0 "[ . 1 . 2]" 1
386 1 26 TRP HB3 1 27 SER H 5.440 . 5.840 4.212 4.042 4.336 . 0 0 "[ . 1 . 2]" 1
387 1 26 TRP HB3 1 33 PRO HD3 5.500 . 5.900 4.308 3.593 4.765 . 0 0 "[ . 1 . 2]" 1
388 1 26 TRP HB3 1 33 PRO HG2 5.500 . 5.900 4.233 3.599 4.656 . 0 0 "[ . 1 . 2]" 1
389 1 26 TRP HB3 1 33 PRO HG3 5.110 . 5.510 4.180 3.578 5.151 . 0 0 "[ . 1 . 2]" 1
390 1 26 TRP HB3 1 35 TRP HZ2 5.500 . 5.900 3.779 2.845 4.489 . 0 0 "[ . 1 . 2]" 1
391 1 26 TRP HD1 1 27 SER HA 5.500 . 5.900 5.173 4.958 5.424 . 0 0 "[ . 1 . 2]" 1
392 1 26 TRP HD1 1 27 SER QB 5.500 . 5.900 4.260 3.887 4.833 . 0 0 "[ . 1 . 2]" 1
393 1 26 TRP HD1 1 27 SER H 4.930 . 5.330 2.549 2.213 2.914 . 0 0 "[ . 1 . 2]" 1
394 1 26 TRP HE1 1 29 VAL MG2 5.500 . 5.900 4.954 3.838 5.934 0.034 11 0 "[ . 1 . 2]" 1
395 1 26 TRP HE1 1 29 VAL MG1 5.500 . 5.900 5.503 5.188 5.940 0.040 11 0 "[ . 1 . 2]" 1
396 1 26 TRP HE1 1 29 VAL H 5.160 . 5.560 3.286 2.748 4.403 . 0 0 "[ . 1 . 2]" 1
397 1 26 TRP HE3 1 33 PRO HG2 5.500 . 5.900 5.076 4.632 5.567 . 0 0 "[ . 1 . 2]" 1
398 1 26 TRP HE3 1 33 PRO HG3 5.500 . 5.900 5.490 4.779 6.566 0.666 20 1 "[ . 1 . +]" 1
399 1 26 TRP HE3 1 36 LEU QD 4.520 . 4.920 2.250 2.076 2.508 . 0 0 "[ . 1 . 2]" 1
400 1 26 TRP HE3 1 46 LYS QD 5.500 . 5.900 4.102 3.484 4.579 . 0 0 "[ . 1 . 2]" 1
401 1 26 TRP HE3 1 46 LYS QE 5.500 . 5.900 5.861 5.176 6.406 0.506 14 2 "[ . 1 - +. 2]" 1
402 1 26 TRP HH2 1 32 GLN QG 5.500 . 5.900 4.982 3.968 5.586 . 0 0 "[ . 1 . 2]" 1
403 1 26 TRP HH2 1 46 LYS QD 5.500 . 5.900 3.693 3.134 4.246 . 0 0 "[ . 1 . 2]" 1
404 1 26 TRP HH2 1 46 LYS QE 5.500 . 5.900 4.009 2.832 4.522 . 0 0 "[ . 1 . 2]" 1
405 1 26 TRP H 1 27 SER HA 5.500 . 5.900 4.890 4.693 5.059 . 0 0 "[ . 1 . 2]" 1
406 1 26 TRP H 1 27 SER H 5.430 . 5.830 4.349 4.233 4.484 . 0 0 "[ . 1 . 2]" 1
407 1 26 TRP H 1 35 TRP HZ2 4.880 . 5.280 3.387 2.838 3.958 . 0 0 "[ . 1 . 2]" 1
408 1 26 TRP HZ2 1 29 VAL HA 5.500 . 5.900 4.373 3.707 5.064 . 0 0 "[ . 1 . 2]" 1
409 1 26 TRP HZ2 1 29 VAL HB 5.500 . 5.900 6.313 5.846 6.814 0.914 15 7 "[ * * - 1* + * *]" 1
410 1 26 TRP HZ2 1 29 VAL MG2 5.500 . 5.900 5.471 5.014 5.944 0.044 11 0 "[ . 1 . 2]" 1
411 1 26 TRP HZ2 1 29 VAL MG1 5.500 . 5.900 5.762 5.378 6.293 0.393 11 0 "[ . 1 . 2]" 1
412 1 26 TRP HZ3 1 36 LEU QD 4.390 . 4.790 2.485 2.293 3.038 . 0 0 "[ . 1 . 2]" 1
413 1 26 TRP HZ3 1 46 LYS QD 4.740 . 5.140 2.374 1.881 2.778 . 0 0 "[ . 1 . 2]" 1
414 1 26 TRP HZ3 1 46 LYS QE 4.610 . 5.010 3.795 3.114 4.335 . 0 0 "[ . 1 . 2]" 1
415 1 26 TRP HZ3 1 46 LYS HG3 5.500 . 5.900 4.860 4.311 5.343 . 0 0 "[ . 1 . 2]" 1
416 1 27 SER HA 1 28 GLY HA2 5.500 . 5.900 5.107 4.989 5.221 . 0 0 "[ . 1 . 2]" 1
417 1 27 SER HA 1 28 GLY HA3 5.500 . 5.900 4.539 4.484 4.605 . 0 0 "[ . 1 . 2]" 1
418 1 27 SER QB 1 28 GLY HA2 5.500 . 5.900 4.662 4.379 4.888 . 0 0 "[ . 1 . 2]" 1
419 1 27 SER QB 1 28 GLY HA3 4.710 . 5.110 4.278 3.957 4.517 . 0 0 "[ . 1 . 2]" 1
420 1 27 SER QB 1 29 VAL HB 5.500 . 5.900 3.921 3.001 4.849 . 0 0 "[ . 1 . 2]" 1
421 1 27 SER QB 1 29 VAL MG2 4.770 . 5.170 2.889 1.908 4.140 . 0 0 "[ . 1 . 2]" 1
422 1 27 SER QB 1 29 VAL MG1 5.500 . 5.900 4.205 2.879 5.091 . 0 0 "[ . 1 . 2]" 1
423 1 27 SER QB 1 29 VAL H 5.500 . 5.900 2.729 2.471 3.075 . 0 0 "[ . 1 . 2]" 1
424 1 27 SER H 1 29 VAL H 5.280 . 5.680 4.197 3.776 4.746 . 0 0 "[ . 1 . 2]" 1
425 1 28 GLY HA2 1 29 VAL HB 5.500 . 5.900 5.949 5.495 6.469 0.569 15 3 "[ - * 1 + 2]" 1
426 1 28 GLY HA2 1 29 VAL MG2 5.500 . 5.900 4.545 4.307 4.853 . 0 0 "[ . 1 . 2]" 1
427 1 28 GLY HA3 1 29 VAL HB 5.500 . 5.900 5.657 5.120 6.334 0.434 8 0 "[ . 1 . 2]" 1
428 1 29 VAL HA 1 29 VAL MG2 3.250 . 3.650 2.700 2.369 3.222 . 0 0 "[ . 1 . 2]" 1
429 1 29 VAL HA 1 30 GLY HA3 4.480 . 4.880 4.536 4.446 4.630 . 0 0 "[ . 1 . 2]" 1
430 1 29 VAL HB 1 30 GLY HA2 5.500 . 5.900 5.058 4.221 5.584 . 0 0 "[ . 1 . 2]" 1
431 1 29 VAL MG2 1 30 GLY H 4.650 . 5.050 3.827 3.524 4.099 . 0 0 "[ . 1 . 2]" 1
432 1 29 VAL MG1 1 30 GLY HA2 5.500 . 5.900 4.176 3.398 5.578 . 0 0 "[ . 1 . 2]" 1
433 1 29 VAL MG1 1 30 GLY HA3 5.500 . 5.900 3.949 3.139 5.350 . 0 0 "[ . 1 . 2]" 1
434 1 29 VAL MG1 1 30 GLY H 4.510 . 4.910 2.706 2.040 3.719 . 0 0 "[ . 1 . 2]" 1
435 1 29 VAL H 1 29 VAL MG2 3.920 . 4.320 2.456 1.995 2.922 . 0 0 "[ . 1 . 2]" 1
436 1 30 GLY HA3 1 31 ARG HA 5.060 . 5.460 4.891 4.366 5.279 . 0 0 "[ . 1 . 2]" 1
437 1 31 ARG HA 1 31 ARG HE 5.500 . 5.900 5.000 4.101 5.509 . 0 0 "[ . 1 . 2]" 1
438 1 31 ARG QD 1 33 PRO HA 5.500 . 5.900 5.437 3.588 6.620 0.720 12 3 "[ . 1 + .- *2]" 1
439 1 31 ARG QD 1 33 PRO HD3 5.500 . 5.900 5.185 3.939 6.051 0.151 19 0 "[ . 1 . 2]" 1
440 1 31 ARG H 1 31 ARG QD 5.500 . 5.900 3.394 2.203 3.937 . 0 0 "[ . 1 . 2]" 1
441 1 32 GLN HA 1 33 PRO HB3 5.500 . 5.900 5.059 4.762 5.459 . 0 0 "[ . 1 . 2]" 1
442 1 32 GLN HA 1 33 PRO HG2 5.460 . 5.860 4.498 4.399 4.579 . 0 0 "[ . 1 . 2]" 1
443 1 32 GLN HA 1 36 LEU HB2 5.500 . 5.900 4.461 4.235 4.704 . 0 0 "[ . 1 . 2]" 1
444 1 32 GLN HA 1 36 LEU QD 5.320 . 5.720 4.493 4.159 4.876 . 0 0 "[ . 1 . 2]" 1
445 1 32 GLN HB2 1 33 PRO HD3 5.500 . 5.900 3.604 3.051 4.540 . 0 0 "[ . 1 . 2]" 1
446 1 32 GLN HB2 1 33 PRO HD2 5.500 . 5.900 2.507 2.074 3.601 . 0 0 "[ . 1 . 2]" 1
447 1 32 GLN HB2 1 36 LEU HB2 5.290 . 5.690 3.030 2.286 5.100 . 0 0 "[ . 1 . 2]" 1
448 1 32 GLN HB2 1 36 LEU QD 5.500 . 5.900 2.919 2.533 3.949 . 0 0 "[ . 1 . 2]" 1
449 1 32 GLN HE21 1 36 LEU QD 4.880 . 5.280 4.414 3.308 5.343 0.063 18 0 "[ . 1 . 2]" 1
450 1 32 GLN HE22 1 40 LEU QD . . 5.100 4.157 3.088 5.836 0.736 8 1 "[ . + 1 . 2]" 1
451 1 32 GLN QG 1 36 LEU QD 5.500 . 5.900 3.549 2.775 4.410 . 0 0 "[ . 1 . 2]" 1
452 1 32 GLN QG 1 37 LYS HA 4.140 . 4.540 5.224 4.213 6.769 2.229 18 12 "[ ** * - **** * +**]" 1
453 1 33 PRO HA 1 34 ARG HA 5.270 . 5.670 4.292 4.275 4.328 . 0 0 "[ . 1 . 2]" 1
454 1 33 PRO HA 1 34 ARG HB2 5.500 . 5.900 5.659 4.596 5.875 . 0 0 "[ . 1 . 2]" 1
455 1 33 PRO HA 1 34 ARG QB 5.500 . 5.900 4.534 4.282 4.859 . 0 0 "[ . 1 . 2]" 1
456 1 33 PRO HA 1 35 TRP H 5.500 . 5.900 4.372 4.047 4.886 . 0 0 "[ . 1 . 2]" 1
457 1 33 PRO HB2 1 34 ARG QB 5.500 . 5.900 4.887 4.187 5.294 . 0 0 "[ . 1 . 2]" 1
458 1 33 PRO HB2 1 35 TRP HD1 5.230 . 5.630 3.061 2.723 3.500 . 0 0 "[ . 1 . 2]" 1
459 1 33 PRO HB2 1 35 TRP HE1 5.490 . 5.890 2.765 2.575 3.035 . 0 0 "[ . 1 . 2]" 1
460 1 33 PRO HB2 1 35 TRP H 5.130 . 5.530 2.728 2.398 3.071 . 0 0 "[ . 1 . 2]" 1
461 1 33 PRO HB2 1 36 LEU HB2 5.500 . 5.900 3.872 3.215 4.172 . 0 0 "[ . 1 . 2]" 1
462 1 33 PRO HB2 1 36 LEU H 5.500 . 5.900 3.299 2.782 3.532 . 0 0 "[ . 1 . 2]" 1
463 1 33 PRO HB3 1 35 TRP HD1 5.210 . 5.610 4.147 3.537 4.620 . 0 0 "[ . 1 . 2]" 1
464 1 33 PRO HB3 1 35 TRP HE1 5.500 . 5.900 3.123 2.732 3.527 . 0 0 "[ . 1 . 2]" 1
465 1 33 PRO HB3 1 35 TRP H 5.500 . 5.900 4.251 3.697 4.815 . 0 0 "[ . 1 . 2]" 1
466 1 33 PRO HB3 1 36 LEU HB2 5.500 . 5.900 4.886 4.670 5.354 . 0 0 "[ . 1 . 2]" 1
467 1 33 PRO HB3 1 36 LEU H 5.500 . 5.900 4.813 4.456 4.982 . 0 0 "[ . 1 . 2]" 1
468 1 33 PRO HD3 1 35 TRP HZ2 5.500 . 5.900 4.874 4.619 5.118 . 0 0 "[ . 1 . 2]" 1
469 1 33 PRO HD3 1 36 LEU HB2 5.500 . 5.900 3.894 3.578 4.252 . 0 0 "[ . 1 . 2]" 1
470 1 33 PRO HD3 1 36 LEU QD 5.500 . 5.900 4.469 3.383 4.869 . 0 0 "[ . 1 . 2]" 1
471 1 33 PRO HD2 1 36 LEU HB2 5.500 . 5.900 2.275 1.962 2.718 . 0 0 "[ . 1 . 2]" 1
472 1 33 PRO HD2 1 36 LEU HB3 5.500 . 5.900 3.242 2.896 3.773 . 0 0 "[ . 1 . 2]" 1
473 1 33 PRO HD2 1 36 LEU QD 5.070 . 5.470 3.348 2.357 3.718 . 0 0 "[ . 1 . 2]" 1
474 1 33 PRO HG2 1 34 ARG H 5.500 . 5.900 4.777 4.084 5.323 . 0 0 "[ . 1 . 2]" 1
475 1 33 PRO HG2 1 35 TRP HE1 5.500 . 5.900 3.519 2.678 4.288 . 0 0 "[ . 1 . 2]" 1
476 1 33 PRO HG2 1 35 TRP HZ2 5.500 . 5.900 3.266 2.426 3.805 . 0 0 "[ . 1 . 2]" 1
477 1 33 PRO HG2 1 36 LEU HB2 5.500 . 5.900 2.574 1.956 3.936 . 0 0 "[ . 1 . 2]" 1
478 1 33 PRO HG2 1 36 LEU QD 5.500 . 5.900 3.613 2.919 4.666 . 0 0 "[ . 1 . 2]" 1
479 1 33 PRO HG2 1 36 LEU HG 5.500 . 5.900 4.190 3.583 5.366 . 0 0 "[ . 1 . 2]" 1
480 1 33 PRO HG2 1 36 LEU H 5.500 . 5.900 3.290 2.579 4.603 . 0 0 "[ . 1 . 2]" 1
481 1 33 PRO HG3 1 35 TRP HE1 5.500 . 5.900 3.434 2.592 4.143 . 0 0 "[ . 1 . 2]" 1
482 1 33 PRO HG3 1 35 TRP HZ2 5.500 . 5.900 3.101 2.650 3.901 . 0 0 "[ . 1 . 2]" 1
483 1 33 PRO HG3 1 36 LEU HB2 5.500 . 5.900 3.996 3.510 5.071 . 0 0 "[ . 1 . 2]" 1
484 1 33 PRO HG3 1 36 LEU HB3 5.500 . 5.900 5.440 5.009 6.309 0.409 1 0 "[ . 1 . 2]" 1
485 1 33 PRO HG3 1 36 LEU QD 5.500 . 5.900 4.537 3.726 5.721 . 0 0 "[ . 1 . 2]" 1
486 1 33 PRO HG3 1 36 LEU H 5.500 . 5.900 4.806 4.318 5.669 . 0 0 "[ . 1 . 2]" 1
487 1 34 ARG HA 1 34 ARG QD 3.460 . 3.860 4.194 3.814 4.528 0.668 12 5 "[ . 1 +* .* * -]" 1
488 1 34 ARG HA 1 35 TRP HA 5.370 . 5.770 4.714 4.636 4.797 . 0 0 "[ . 1 . 2]" 1
489 1 34 ARG HA 1 36 LEU H 5.360 . 5.760 4.012 3.853 4.140 . 0 0 "[ . 1 . 2]" 1
490 1 34 ARG HA 1 37 LYS QD 4.410 . 4.560 4.201 2.970 5.268 0.708 2 5 "[ + .* - 1 *. * 2]" 1
491 1 34 ARG HA 1 37 LYS QE 3.520 . 3.920 2.996 2.202 3.648 . 0 0 "[ . 1 . 2]" 1
492 1 34 ARG HA 1 38 GLU QG 5.050 . 5.400 4.445 3.700 4.961 . 0 0 "[ . 1 . 2]" 1
493 1 34 ARG HB3 1 34 ARG QD 2.830 . 3.230 2.876 2.346 3.215 . 0 0 "[ . 1 . 2]" 1
494 1 34 ARG HB3 1 34 ARG HE 5.120 . 5.520 4.339 1.968 4.926 . 0 0 "[ . 1 . 2]" 1
495 1 34 ARG HB3 1 35 TRP H 4.160 . 4.560 4.049 3.309 4.400 . 0 0 "[ . 1 . 2]" 1
496 1 34 ARG HB3 1 37 LYS QE 3.650 . 4.050 4.120 2.968 4.888 0.838 4 8 "[*- +.* *1 **. * 2]" 1
497 1 34 ARG QB 1 34 ARG QD 3.060 . 3.460 2.186 1.961 2.424 . 0 0 "[ . 1 . 2]" 1
498 1 34 ARG QB 1 35 TRP H 4.720 . 5.120 3.324 2.213 3.710 . 0 0 "[ . 1 . 2]" 1
499 1 34 ARG QB 1 37 LYS QE 5.500 . 5.900 3.383 2.219 4.682 . 0 0 "[ . 1 . 2]" 1
500 1 34 ARG QD 1 35 TRP HA 3.710 . 4.110 4.522 2.909 6.321 2.211 14 12 "[ *** * 1- *+** ***]" 1
501 1 34 ARG QD 1 35 TRP H 4.690 . 5.090 3.887 2.268 5.295 0.205 4 0 "[ . 1 . 2]" 1
502 1 34 ARG QD 1 37 LYS QB 5.500 . 5.900 6.819 5.408 8.109 2.209 15 13 "[ * * * -*** +*****]" 1
503 1 34 ARG QD 1 37 LYS QD 5.500 . 5.900 6.733 5.373 8.088 2.188 18 14 "[** .* **1*-*****+*2]" 1
504 1 34 ARG QD 1 37 LYS QE 4.520 . 4.920 5.013 3.435 6.315 1.395 18 5 "[- .* **1 . + 2]" 1
505 1 34 ARG QD 1 37 LYS QG 5.500 . 5.900 6.297 4.845 8.094 2.194 18 9 "[*- *.* **1 ** + 2]" 1
506 1 34 ARG QD 1 38 GLU HA 5.500 . 5.900 7.929 6.769 9.394 3.494 15 20 [*******-******+*****] 1
507 1 34 ARG QD 1 38 GLU QB 5.500 . 5.900 6.120 4.513 7.454 1.554 15 9 "[ * - * 1* *+* * *]" 1
508 1 34 ARG QD 1 38 GLU QG 4.140 . 4.540 4.546 3.362 5.837 1.297 15 3 "[ . 1 -+* 2]" 1
509 1 34 ARG QD 1 38 GLU H 5.080 . 5.480 6.538 5.147 7.898 2.418 15 15 "[ *** * -****+*****]" 1
510 1 34 ARG QD 1 41 LEU QD 5.500 . 5.900 7.274 6.559 8.439 2.539 15 20 [********-*****+*****] 1
511 1 34 ARG HE 1 35 TRP HA 5.500 . 5.900 5.040 3.509 7.421 1.521 14 4 "[ . 1* +* - 2]" 1
512 1 34 ARG QG 1 35 TRP HA 5.310 . 5.710 4.342 3.086 5.788 0.078 4 0 "[ . 1 . 2]" 1
513 1 34 ARG QG 1 35 TRP H 5.140 . 5.540 2.524 1.866 4.313 . 0 0 "[ . 1 . 2]" 1
514 1 34 ARG QG 1 37 LYS QE 5.500 . 5.900 4.972 3.893 5.917 0.017 6 0 "[ . 1 . 2]" 1
515 1 34 ARG QG 1 38 GLU QG 4.460 . 4.860 4.819 3.474 5.648 0.788 15 3 "[ . 1 -+* 2]" 1
516 1 34 ARG QG 1 38 GLU H 5.500 . 5.900 6.273 5.390 7.045 1.145 15 8 "[ -* . * 1* *+** 2]" 1
517 1 34 ARG H 1 34 ARG HB3 3.900 . 4.300 2.772 2.361 3.585 . 0 0 "[ . 1 . 2]" 1
518 1 34 ARG H 1 34 ARG QG 4.630 . 5.010 2.173 1.875 2.774 . 0 0 "[ . 1 . 2]" 1
519 1 34 ARG H 1 35 TRP H 4.480 . 4.880 2.892 2.743 3.090 . 0 0 "[ . 1 . 2]" 1
520 1 35 TRP HA 1 35 TRP HE3 4.890 . 5.290 4.298 4.202 4.401 . 0 0 "[ . 1 . 2]" 1
521 1 35 TRP HA 1 36 LEU HA 5.300 . 5.700 4.764 4.717 4.806 . 0 0 "[ . 1 . 2]" 1
522 1 35 TRP HA 1 38 GLU QB 4.110 . 4.510 2.904 2.221 3.522 . 0 0 "[ . 1 . 2]" 1
523 1 35 TRP HA 1 38 GLU QG 5.500 . 5.900 2.123 1.802 2.868 . 0 0 "[ . 1 . 2]" 1
524 1 35 TRP HA 1 38 GLU H 5.270 . 5.670 3.259 3.073 3.448 . 0 0 "[ . 1 . 2]" 1
525 1 35 TRP HB3 1 36 LEU HA 5.500 . 5.900 5.682 5.647 5.731 . 0 0 "[ . 1 . 2]" 1
526 1 35 TRP HE3 1 36 LEU HA 4.690 . 5.090 2.688 2.395 3.003 . 0 0 "[ . 1 . 2]" 1
527 1 35 TRP HE3 1 36 LEU HB2 5.500 . 5.900 4.220 3.881 4.566 . 0 0 "[ . 1 . 2]" 1
528 1 35 TRP HE3 1 36 LEU HB3 5.500 . 5.900 5.305 4.972 5.654 . 0 0 "[ . 1 . 2]" 1
529 1 35 TRP HE3 1 39 ALA MB 5.220 . 5.620 3.330 2.830 4.297 . 0 0 "[ . 1 . 2]" 1
530 1 35 TRP H 1 35 TRP HD1 4.340 . 4.740 2.577 2.321 2.874 . 0 0 "[ . 1 . 2]" 1
531 1 35 TRP H 1 35 TRP HE3 5.390 . 5.790 4.772 4.467 5.063 . 0 0 "[ . 1 . 2]" 1
532 1 35 TRP H 1 36 LEU H 4.480 . 4.880 2.608 2.427 2.867 . 0 0 "[ . 1 . 2]" 1
533 1 35 TRP H 1 37 LYS H 5.250 . 5.650 4.565 4.356 4.860 . 0 0 "[ . 1 . 2]" 1
534 1 35 TRP HZ2 1 36 LEU HA 5.500 . 5.900 6.084 5.664 6.592 0.692 12 2 "[ . - + . 2]" 1
535 1 35 TRP HZ2 1 36 LEU QD 5.330 . 5.730 4.510 3.884 5.099 . 0 0 "[ . 1 . 2]" 1
536 1 35 TRP HZ3 1 36 LEU HA 5.360 . 5.760 3.432 3.187 3.813 . 0 0 "[ . 1 . 2]" 1
537 1 35 TRP HZ3 1 36 LEU QD . . 4.580 2.389 2.030 2.726 . 0 0 "[ . 1 . 2]" 1
538 1 35 TRP HZ3 1 39 ALA MB 5.500 . 5.900 4.096 3.395 4.816 . 0 0 "[ . 1 . 2]" 1
539 1 36 LEU HA 1 36 LEU QD . . 3.950 1.921 1.870 1.958 . 0 0 "[ . 1 . 2]" 1
540 1 36 LEU HA 1 37 LYS HA 5.500 . 5.900 4.763 4.712 4.804 . 0 0 "[ . 1 . 2]" 1
541 1 36 LEU HA 1 37 LYS QB 5.500 . 5.900 5.352 5.143 5.550 . 0 0 "[ . 1 . 2]" 1
542 1 36 LEU HA 1 38 GLU QB 5.460 . 5.860 5.139 4.707 5.367 . 0 0 "[ . 1 . 2]" 1
543 1 36 LEU HA 1 38 GLU H 5.500 . 5.900 4.316 4.003 4.589 . 0 0 "[ . 1 . 2]" 1
544 1 36 LEU HA 1 39 ALA MB 4.190 . 4.590 3.101 2.584 3.551 . 0 0 "[ . 1 . 2]" 1
545 1 36 LEU HA 1 39 ALA H 4.520 . 4.920 3.631 3.466 3.729 . 0 0 "[ . 1 . 2]" 1
546 1 36 LEU HA 1 40 LEU QB 5.500 . 5.900 4.612 4.339 4.961 . 0 0 "[ . 1 . 2]" 1
547 1 36 LEU HA 1 40 LEU H 5.500 . 5.900 4.289 4.087 4.562 . 0 0 "[ . 1 . 2]" 1
548 1 36 LEU HA 1 49 PHE QD 5.500 . 5.900 5.990 5.593 6.498 0.598 16 1 "[ . 1 .+ 2]" 1
549 1 36 LEU HB2 1 37 LYS HA 5.500 . 5.900 5.503 5.351 5.573 . 0 0 "[ . 1 . 2]" 1
550 1 36 LEU HB2 1 37 LYS H 4.770 . 5.170 3.587 3.357 3.719 . 0 0 "[ . 1 . 2]" 1
551 1 36 LEU HB2 1 39 ALA MB 5.500 . 5.900 5.346 4.867 5.713 . 0 0 "[ . 1 . 2]" 1
552 1 36 LEU HB3 1 37 LYS H 5.420 . 5.820 2.514 2.289 2.724 . 0 0 "[ . 1 . 2]" 1
553 1 36 LEU QD 1 37 LYS HA 5.500 . 5.800 3.258 2.936 3.730 . 0 0 "[ . 1 . 2]" 1
554 1 36 LEU QD 1 37 LYS QB 5.500 . 5.900 3.988 3.621 4.521 . 0 0 "[ . 1 . 2]" 1
555 1 36 LEU QD 1 37 LYS QG 5.500 . 5.900 4.760 4.238 5.255 . 0 0 "[ . 1 . 2]" 1
556 1 36 LEU QD 1 37 LYS H 5.500 . 5.900 3.457 3.148 3.740 . 0 0 "[ . 1 . 2]" 1
557 1 36 LEU QD 1 38 GLU H 5.500 . 5.900 4.658 4.428 4.901 . 0 0 "[ . 1 . 2]" 1
558 1 36 LEU QD 1 39 ALA MB . . 4.540 3.071 2.758 3.277 . 0 0 "[ . 1 . 2]" 1
559 1 36 LEU QD 1 40 LEU QD 4.910 . 5.020 2.706 2.255 3.142 . 0 0 "[ . 1 . 2]" 1
560 1 36 LEU QD 1 40 LEU HG . . 5.460 4.846 4.456 5.139 . 0 0 "[ . 1 . 2]" 1
561 1 36 LEU QD 1 46 LYS HA . . 4.800 3.618 3.244 4.137 . 0 0 "[ . 1 . 2]" 1
562 1 36 LEU QD 1 46 LYS QB 4.500 . 4.900 2.398 1.900 2.782 . 0 0 "[ . 1 . 2]" 1
563 1 36 LEU QD 1 46 LYS QD 5.050 . 5.450 2.636 1.905 3.142 . 0 0 "[ . 1 . 2]" 1
564 1 36 LEU QD 1 46 LYS QE 4.680 . 5.080 4.056 3.201 4.569 . 0 0 "[ . 1 . 2]" 1
565 1 36 LEU QD 1 46 LYS HG3 5.500 . 5.800 4.396 3.933 4.912 . 0 0 "[ . 1 . 2]" 1
566 1 36 LEU QD 1 46 LYS HG2 5.500 . 5.900 4.063 3.500 4.597 . 0 0 "[ . 1 . 2]" 1
567 1 36 LEU QD 1 39 ALA HA 5.500 . 5.900 5.476 5.243 5.681 . 0 0 "[ . 1 . 2]" 1
568 1 36 LEU QD 1 39 ALA H 5.500 . 5.900 4.172 3.972 4.383 . 0 0 "[ . 1 . 2]" 1
569 1 36 LEU QD 1 40 LEU HA 5.500 . 5.900 4.332 4.176 4.545 . 0 0 "[ . 1 . 2]" 1
570 1 36 LEU QD 1 40 LEU QB 5.500 . 5.900 2.654 2.382 2.953 . 0 0 "[ . 1 . 2]" 1
571 1 36 LEU QD 1 40 LEU H 5.500 . 5.900 3.619 3.478 3.825 . 0 0 "[ . 1 . 2]" 1
572 1 36 LEU QD 1 46 LYS H 5.160 . 5.560 4.508 4.118 5.073 . 0 0 "[ . 1 . 2]" 1
573 1 36 LEU QD 1 49 PHE QD 4.020 . 4.420 3.983 3.697 4.447 0.027 15 0 "[ . 1 . 2]" 1
574 1 36 LEU QD 1 49 PHE QE 4.270 . 4.670 2.234 1.932 2.696 . 0 0 "[ . 1 . 2]" 1
575 1 36 LEU HG 1 37 LYS H 5.060 . 5.460 4.944 4.705 5.150 . 0 0 "[ . 1 . 2]" 1
576 1 36 LEU HG 1 46 LYS HA 5.500 . 5.900 6.503 6.025 7.317 1.417 15 10 "[ * . 1****+**-*2]" 1
577 1 36 LEU HG 1 46 LYS QB 5.360 . 5.760 4.456 3.987 5.052 . 0 0 "[ . 1 . 2]" 1
578 1 36 LEU HG 1 46 LYS QE 5.500 . 5.900 6.086 5.172 6.872 0.972 14 5 "[ . * - * +. * 2]" 1
579 1 36 LEU H 1 36 LEU QD 4.920 . 5.120 3.575 3.399 3.641 . 0 0 "[ . 1 . 2]" 1
580 1 36 LEU H 1 36 LEU HG 5.500 . 5.900 4.507 4.459 4.555 . 0 0 "[ . 1 . 2]" 1
581 1 36 LEU H 1 37 LYS QB 5.060 . 5.460 4.664 4.207 5.087 . 0 0 "[ . 1 . 2]" 1
582 1 36 LEU H 1 37 LYS QE 5.500 . 5.900 5.600 5.051 6.227 0.327 4 0 "[ . 1 . 2]" 1
583 1 36 LEU H 1 37 LYS H 3.960 . 4.360 2.656 2.519 2.827 . 0 0 "[ . 1 . 2]" 1
584 1 36 LEU H 1 38 GLU QB 5.500 . 5.900 5.196 4.709 5.589 . 0 0 "[ . 1 . 2]" 1
585 1 36 LEU H 1 38 GLU QG 5.500 . 5.900 4.283 3.928 4.822 . 0 0 "[ . 1 . 2]" 1
586 1 36 LEU H 1 38 GLU H 5.380 . 5.780 3.998 3.868 4.116 . 0 0 "[ . 1 . 2]" 1
587 1 36 LEU H 1 39 ALA MB 5.500 . 5.900 5.100 4.607 5.726 . 0 0 "[ . 1 . 2]" 1
588 1 37 LYS HA 1 37 LYS QG 3.700 . 4.100 3.010 2.404 3.364 . 0 0 "[ . 1 . 2]" 1
589 1 37 LYS HA 1 39 ALA MB 5.500 . 5.900 5.102 4.853 5.235 . 0 0 "[ . 1 . 2]" 1
590 1 37 LYS HA 1 40 LEU HA 5.500 . 5.900 5.141 4.791 5.444 . 0 0 "[ . 1 . 2]" 1
591 1 37 LYS HA 1 40 LEU QB 5.390 . 5.630 2.393 2.028 2.758 . 0 0 "[ . 1 . 2]" 1
592 1 37 LYS HA 1 40 LEU QD 4.280 . 4.680 3.110 2.780 3.532 . 0 0 "[ . 1 . 2]" 1
593 1 37 LYS HA 1 40 LEU HG 5.300 . 5.700 4.866 4.295 5.332 . 0 0 "[ . 1 . 2]" 1
594 1 37 LYS HA 1 40 LEU H 4.950 . 5.350 3.332 3.151 3.535 . 0 0 "[ . 1 . 2]" 1
595 1 37 LYS HA 1 41 LEU QD 5.500 . 5.900 4.045 3.863 4.153 . 0 0 "[ . 1 . 2]" 1
596 1 37 LYS QB 1 37 LYS QE 4.130 . 4.530 2.992 1.957 3.681 . 0 0 "[ . 1 . 2]" 1
597 1 37 LYS QB 1 38 GLU QG 5.170 . 5.510 4.035 3.158 4.529 . 0 0 "[ . 1 . 2]" 1
598 1 37 LYS QB 1 38 GLU H 3.730 . 4.130 3.134 2.455 3.591 . 0 0 "[ . 1 . 2]" 1
599 1 37 LYS QB 1 40 LEU QD 5.480 . 5.880 4.012 3.123 4.742 . 0 0 "[ . 1 . 2]" 1
600 1 37 LYS QB 1 40 LEU H 5.500 . 5.900 4.809 4.607 4.977 . 0 0 "[ . 1 . 2]" 1
601 1 37 LYS QD 1 38 GLU QG 5.500 . 5.900 4.932 4.409 5.792 . 0 0 "[ . 1 . 2]" 1
602 1 37 LYS QD 1 38 GLU H 5.500 . 5.900 4.659 4.291 5.199 . 0 0 "[ . 1 . 2]" 1
603 1 37 LYS QD 1 40 LEU QD 5.500 . 5.900 5.251 4.515 5.716 . 0 0 "[ . 1 . 2]" 1
604 1 37 LYS QD 1 41 LEU QD 5.150 . 5.550 3.595 2.958 4.113 . 0 0 "[ . 1 . 2]" 1
605 1 37 LYS QE 1 38 GLU HA 5.010 . 5.410 5.477 4.934 5.972 0.562 11 1 "[ . 1+ . 2]" 1
606 1 37 LYS QE 1 38 GLU QB 5.500 . 5.900 5.586 5.215 5.942 0.042 6 0 "[ . 1 . 2]" 1
607 1 37 LYS QE 1 38 GLU QG . . 4.690 4.003 3.556 4.577 . 0 0 "[ . 1 . 2]" 1
608 1 37 LYS QE 1 38 GLU H 5.070 . 5.470 4.380 4.109 4.645 . 0 0 "[ . 1 . 2]" 1
609 1 37 LYS QE 1 40 LEU QD 5.500 . 5.900 6.544 5.760 7.054 1.154 20 12 "[ * * * -**** * * *+]" 1
610 1 37 LYS QE 1 41 LEU QD 3.620 . 4.020 4.432 3.788 5.000 0.980 11 9 "[ * * * -+ *** *2]" 1
611 1 37 LYS QE 1 41 LEU HG 5.500 . 5.900 6.789 5.916 7.465 1.565 15 16 "[ * **** *****+**-**]" 1
612 1 37 LYS QE 1 41 LEU H 5.500 . 5.900 7.277 6.597 7.782 1.882 11 20 [***-******+*********] 1
613 1 37 LYS QE 1 37 LYS QG 3.490 . 3.490 2.481 2.208 2.820 . 0 0 "[ . 1 . 2]" 1
614 1 37 LYS QG 1 38 GLU HA 5.500 . 5.900 3.410 3.110 3.862 . 0 0 "[ . 1 . 2]" 1
615 1 37 LYS QG 1 38 GLU QG 5.500 . 5.900 3.303 2.528 4.706 . 0 0 "[ . 1 . 2]" 1
616 1 37 LYS QG 1 38 GLU H 4.790 . 5.190 2.770 2.147 3.818 . 0 0 "[ . 1 . 2]" 1
617 1 37 LYS QG 1 40 LEU QD 5.360 . 5.760 4.639 3.400 5.341 . 0 0 "[ . 1 . 2]" 1
618 1 37 LYS QG 1 41 LEU HB3 4.960 . 5.360 4.662 3.632 5.684 0.324 5 0 "[ . 1 . 2]" 1
619 1 37 LYS QG 1 41 LEU HB2 5.500 . 5.900 5.888 4.892 6.841 0.941 11 6 "[ * * 1+ .*- *2]" 1
620 1 37 LYS QG 1 41 LEU QD 4.510 . 4.510 2.633 1.962 3.392 . 0 0 "[ . 1 . 2]" 1
621 1 37 LYS QG 1 41 LEU HG 5.500 . 5.900 4.380 3.561 5.032 . 0 0 "[ . 1 . 2]" 1
622 1 37 LYS QG 1 41 LEU H 5.500 . 5.900 4.655 3.945 5.280 . 0 0 "[ . 1 . 2]" 1
623 1 37 LYS H 1 37 LYS QB 3.640 . 4.040 2.384 2.112 2.638 . 0 0 "[ . 1 . 2]" 1
624 1 37 LYS H 1 37 LYS QD 5.000 . 5.400 4.112 3.433 4.794 . 0 0 "[ . 1 . 2]" 1
625 1 37 LYS H 1 37 LYS QE 4.530 . 4.930 4.229 3.921 4.515 . 0 0 "[ . 1 . 2]" 1
626 1 37 LYS H 1 37 LYS QG 4.310 . 4.710 2.840 1.888 3.960 . 0 0 "[ . 1 . 2]" 1
627 1 37 LYS H 1 38 GLU H 4.250 . 4.650 2.628 2.537 2.712 . 0 0 "[ . 1 . 2]" 1
628 1 38 GLU HA 1 38 GLU QG 3.340 . 3.740 3.125 3.009 3.220 . 0 0 "[ . 1 . 2]" 1
629 1 38 GLU HA 1 39 ALA MB 5.500 . 5.900 5.025 5.011 5.035 . 0 0 "[ . 1 . 2]" 1
630 1 38 GLU HA 1 40 LEU QD 5.500 . 5.900 6.042 5.369 6.248 0.348 15 0 "[ . 1 . 2]" 1
631 1 38 GLU HA 1 41 LEU HB3 4.230 . 4.630 4.509 4.238 4.769 0.139 17 0 "[ . 1 . 2]" 1
632 1 38 GLU HA 1 41 LEU QD . . 3.770 2.116 2.010 2.338 . 0 0 "[ . 1 . 2]" 1
633 1 38 GLU HA 1 41 LEU HG 4.560 . 4.960 2.318 2.113 2.617 . 0 0 "[ . 1 . 2]" 1
634 1 38 GLU HA 1 41 LEU H 4.400 . 4.800 3.654 3.509 3.814 . 0 0 "[ . 1 . 2]" 1
635 1 38 GLU HA 1 42 ASN QD 5.060 . 5.460 5.188 3.586 6.812 1.352 16 7 "[ *- * * * .+ * 2]" 1
636 1 38 GLU HA 1 42 ASN H 4.480 . 4.880 4.687 4.506 4.866 . 0 0 "[ . 1 . 2]" 1
637 1 38 GLU QB 1 39 ALA HA 4.480 . 4.880 3.840 3.719 3.942 . 0 0 "[ . 1 . 2]" 1
638 1 38 GLU QB 1 39 ALA MB 4.310 . 4.710 3.638 3.545 3.798 . 0 0 "[ . 1 . 2]" 1
639 1 38 GLU QB 1 39 ALA H 3.710 . 4.110 2.492 2.280 2.686 . 0 0 "[ . 1 . 2]" 1
640 1 38 GLU QB 1 40 LEU H 5.140 . 5.540 4.533 4.365 4.818 . 0 0 "[ . 1 . 2]" 1
641 1 38 GLU QB 1 41 LEU QD 4.810 . 5.210 3.356 3.107 3.570 . 0 0 "[ . 1 . 2]" 1
642 1 38 GLU QB 1 42 ASN QD 5.260 . 5.660 4.426 2.937 5.968 0.308 16 0 "[ . 1 . 2]" 1
643 1 38 GLU QG 1 41 LEU QD . . 4.830 3.947 3.713 4.262 . 0 0 "[ . 1 . 2]" 1
644 1 38 GLU H 1 38 GLU QB 3.480 . 3.880 2.674 2.414 2.875 . 0 0 "[ . 1 . 2]" 1
645 1 38 GLU H 1 38 GLU QG 3.860 . 4.160 1.896 1.630 2.389 0.170 20 0 "[ . 1 . 2]" 1
646 1 38 GLU H 1 39 ALA MB 4.650 . 5.050 4.391 4.306 4.457 . 0 0 "[ . 1 . 2]" 1
647 1 38 GLU H 1 39 ALA H 3.670 . 4.070 2.704 2.644 2.786 . 0 0 "[ . 1 . 2]" 1
648 1 38 GLU H 1 41 LEU QD 5.500 . 5.900 3.819 3.727 3.954 . 0 0 "[ . 1 . 2]" 1
649 1 38 GLU H 1 41 LEU HG 5.500 . 5.900 4.568 4.337 4.943 . 0 0 "[ . 1 . 2]" 1
650 1 39 ALA HA 1 41 LEU QD 5.500 . 5.900 4.752 4.538 4.958 . 0 0 "[ . 1 . 2]" 1
651 1 39 ALA HA 1 41 LEU H 4.530 . 4.930 4.569 4.487 4.655 . 0 0 "[ . 1 . 2]" 1
652 1 39 ALA HA 1 42 ASN HA 5.360 . 5.760 4.965 4.805 5.166 . 0 0 "[ . 1 . 2]" 1
653 1 39 ALA HA 1 42 ASN HB2 4.060 . 4.460 2.432 2.127 2.870 . 0 0 "[ . 1 . 2]" 1
654 1 39 ALA HA 1 42 ASN HB3 3.980 . 4.380 3.313 2.682 3.805 . 0 0 "[ . 1 . 2]" 1
655 1 39 ALA HA 1 42 ASN QD 4.060 . 4.460 3.488 2.564 4.508 0.048 7 0 "[ . 1 . 2]" 1
656 1 39 ALA HA 1 42 ASN H 4.040 . 4.440 3.505 3.359 3.636 . 0 0 "[ . 1 . 2]" 1
657 1 39 ALA HA 1 44 MET ME 3.720 . 4.120 3.709 2.362 5.537 1.417 2 3 "[ + . 1 * . - 2]" 1
658 1 39 ALA HA 1 44 MET HG3 5.390 . 5.790 4.953 4.282 5.358 . 0 0 "[ . 1 . 2]" 1
659 1 39 ALA HA 1 49 PHE QE 5.090 . 5.490 4.649 4.420 4.909 . 0 0 "[ . 1 . 2]" 1
660 1 39 ALA MB 1 40 LEU HA 4.590 . 4.990 3.880 3.799 3.911 . 0 0 "[ . 1 . 2]" 1
661 1 39 ALA MB 1 40 LEU QB 4.450 . 4.850 3.871 3.723 3.963 . 0 0 "[ . 1 . 2]" 1
662 1 39 ALA MB 1 40 LEU H 4.100 . 4.500 2.734 2.504 2.836 . 0 0 "[ . 1 . 2]" 1
663 1 39 ALA MB 1 42 ASN HB3 4.910 . 5.310 4.299 3.753 4.816 . 0 0 "[ . 1 . 2]" 1
664 1 39 ALA MB 1 42 ASN H 4.550 . 4.950 4.498 4.405 4.597 . 0 0 "[ . 1 . 2]" 1
665 1 39 ALA MB 1 44 MET HG2 4.760 . 5.160 3.938 3.439 4.594 . 0 0 "[ . 1 . 2]" 1
666 1 39 ALA MB 1 49 PHE QE 3.610 . 4.010 2.607 2.330 2.892 . 0 0 "[ . 1 . 2]" 1
667 1 39 ALA H 1 39 ALA MB 3.270 . 3.670 2.239 2.222 2.252 . 0 0 "[ . 1 . 2]" 1
668 1 39 ALA H 1 40 LEU QB 5.500 . 5.900 4.232 4.149 4.306 . 0 0 "[ . 1 . 2]" 1
669 1 39 ALA H 1 40 LEU QD 5.280 . 5.680 5.366 5.174 5.481 . 0 0 "[ . 1 . 2]" 1
670 1 39 ALA H 1 40 LEU H 3.840 . 4.240 2.513 2.446 2.588 . 0 0 "[ . 1 . 2]" 1
671 1 39 ALA H 1 41 LEU QD 5.500 . 5.900 4.574 4.421 4.709 . 0 0 "[ . 1 . 2]" 1
672 1 39 ALA H 1 41 LEU HG 5.500 . 5.900 4.583 4.353 4.865 . 0 0 "[ . 1 . 2]" 1
673 1 39 ALA H 1 41 LEU H 5.170 . 5.570 4.271 4.173 4.371 . 0 0 "[ . 1 . 2]" 1
674 1 40 LEU HA 1 40 LEU QD 3.100 . 3.500 2.165 1.972 2.975 . 0 0 "[ . 1 . 2]" 1
675 1 40 LEU HA 1 42 ASN H 4.790 . 5.190 3.792 3.701 3.898 . 0 0 "[ . 1 . 2]" 1
676 1 40 LEU HA 1 44 MET HA 5.500 . 5.900 5.671 5.262 6.110 0.210 16 0 "[ . 1 . 2]" 1
677 1 40 LEU HA 1 44 MET QB 5.500 . 5.900 5.307 4.997 5.866 . 0 0 "[ . 1 . 2]" 1
678 1 40 LEU HA 1 44 MET ME 5.500 . 5.900 5.373 4.375 6.570 0.670 2 1 "[ + . 1 . 2]" 1
679 1 40 LEU HA 1 44 MET HG3 4.470 . 4.870 3.932 3.492 4.527 . 0 0 "[ . 1 . 2]" 1
680 1 40 LEU HA 1 44 MET HG2 4.380 . 4.780 4.235 3.525 4.975 0.195 16 0 "[ . 1 . 2]" 1
681 1 40 LEU HA 1 45 LYS HA 5.190 . 5.590 3.975 3.419 4.613 . 0 0 "[ . 1 . 2]" 1
682 1 40 LEU HA 1 45 LYS QB 5.500 . 5.900 5.617 5.126 6.158 0.258 15 0 "[ . 1 . 2]" 1
683 1 40 LEU HA 1 45 LYS H 5.260 . 5.660 5.558 5.124 6.168 0.508 16 1 "[ . 1 .+ 2]" 1
684 1 40 LEU QB 1 41 LEU QD 5.500 . 5.900 4.039 3.849 4.258 . 0 0 "[ . 1 . 2]" 1
685 1 40 LEU QB 1 41 LEU H 4.980 . 5.380 2.469 2.403 2.569 . 0 0 "[ . 1 . 2]" 1
686 1 40 LEU QB 1 42 ASN H 5.500 . 5.900 4.335 4.274 4.405 . 0 0 "[ . 1 . 2]" 1
687 1 40 LEU QB 1 46 LYS QE 5.500 . 5.900 5.986 4.851 6.651 0.751 5 6 "[-** + 1 * *. 2]" 1
688 1 40 LEU QB 1 41 LEU HA 5.500 . 5.900 4.112 3.901 4.403 . 0 0 "[ . 1 . 2]" 1
689 1 40 LEU QB 1 46 LYS HA 5.500 . 5.900 4.953 4.392 5.415 . 0 0 "[ . 1 . 2]" 1
690 1 40 LEU QB 1 46 LYS QB 4.460 . 4.860 3.930 3.383 4.351 . 0 0 "[ . 1 . 2]" 1
691 1 40 LEU QD 1 41 LEU QD . . 4.500 4.492 3.546 4.798 0.298 15 0 "[ . 1 . 2]" 1
692 1 40 LEU QD 1 41 LEU H . . 4.800 3.829 2.905 4.031 . 0 0 "[ . 1 . 2]" 1
693 1 40 LEU QD 1 44 MET QB 5.500 . 5.900 5.351 5.035 6.653 0.753 16 1 "[ . 1 .+ 2]" 1
694 1 40 LEU QD 1 44 MET HG3 5.500 . 5.900 4.601 4.060 6.121 0.221 16 0 "[ . 1 . 2]" 1
695 1 40 LEU QD 1 44 MET HG2 5.500 . 5.900 5.199 4.510 6.542 0.642 16 1 "[ . 1 .+ 2]" 1
696 1 40 LEU QD 1 44 MET H 5.210 . 5.610 4.602 4.047 5.512 . 0 0 "[ . 1 . 2]" 1
697 1 40 LEU QD 1 45 LYS HA 3.180 . 3.580 2.620 1.945 4.431 0.851 16 1 "[ . 1 .+ 2]" 1
698 1 40 LEU QD 1 45 LYS QB 5.200 . 5.500 3.761 3.089 5.302 . 0 0 "[ . 1 . 2]" 1
699 1 40 LEU QD 1 45 LYS QD 4.890 . 5.290 5.544 4.804 7.028 1.738 16 6 "[ ** . 1 -*+ *2]" 1
700 1 40 LEU QD 1 45 LYS H 5.500 . 5.900 4.767 4.110 6.458 0.558 16 1 "[ . 1 .+ 2]" 1
701 1 40 LEU QD 1 46 LYS HB2 5.500 . 5.900 4.177 3.584 5.360 . 0 0 "[ . 1 . 2]" 1
702 1 40 LEU QD 1 46 LYS QD 5.500 . 5.900 3.321 2.758 4.320 . 0 0 "[ . 1 . 2]" 1
703 1 40 LEU QD 1 46 LYS QE 4.990 . 5.390 3.777 3.066 4.642 . 0 0 "[ . 1 . 2]" 1
704 1 40 LEU QD 1 46 LYS HG2 4.730 . 5.130 3.027 2.075 4.387 . 0 0 "[ . 1 . 2]" 1
705 1 40 LEU QD 1 46 LYS H 4.110 . 4.510 2.602 2.075 3.867 . 0 0 "[ . 1 . 2]" 1
706 1 40 LEU QD 1 41 LEU HA 4.180 . 4.580 4.247 3.050 4.654 0.074 1 0 "[ . 1 . 2]" 1
707 1 40 LEU QD 1 41 LEU HB3 5.290 . 5.690 4.407 2.947 4.843 . 0 0 "[ . 1 . 2]" 1
708 1 40 LEU QD 1 41 LEU HB2 5.370 . 5.770 5.537 4.263 5.949 0.179 18 0 "[ . 1 . 2]" 1
709 1 40 LEU QD 1 41 LEU HG 5.110 . 5.510 5.299 4.275 5.739 0.229 15 0 "[ . 1 . 2]" 1
710 1 40 LEU QD 1 42 ASN H 5.420 . 5.820 4.873 4.597 5.082 . 0 0 "[ . 1 . 2]" 1
711 1 40 LEU HG 1 41 LEU H 4.880 . 5.280 3.973 3.260 4.434 . 0 0 "[ . 1 . 2]" 1
712 1 40 LEU HG 1 46 LYS H 5.500 . 5.900 5.229 4.290 6.622 0.722 19 2 "[ . - . +2]" 1
713 1 40 LEU H 1 40 LEU QB . . 3.920 2.198 2.123 2.240 . 0 0 "[ . 1 . 2]" 1
714 1 40 LEU H 1 40 LEU QD . . 4.140 3.654 3.470 3.755 . 0 0 "[ . 1 . 2]" 1
715 1 40 LEU H 1 41 LEU HA 5.500 . 5.900 5.263 5.188 5.338 . 0 0 "[ . 1 . 2]" 1
716 1 40 LEU H 1 41 LEU HB3 5.490 . 5.890 5.187 4.939 5.379 . 0 0 "[ . 1 . 2]" 1
717 1 40 LEU H 1 41 LEU HG 5.500 . 5.900 4.096 3.878 4.465 . 0 0 "[ . 1 . 2]" 1
718 1 40 LEU H 1 41 LEU H 4.210 . 4.610 2.644 2.556 2.737 . 0 0 "[ . 1 . 2]" 1
719 1 40 LEU H 1 42 ASN QD 5.500 . 5.900 6.013 4.888 7.037 1.137 16 9 "[ * * ** * - *.+ * 2]" 1
720 1 40 LEU H 1 42 ASN H 5.440 . 5.840 3.757 3.672 3.873 . 0 0 "[ . 1 . 2]" 1
721 1 41 LEU HA 1 41 LEU QD 3.590 . 3.990 3.424 3.381 3.440 . 0 0 "[ . 1 . 2]" 1
722 1 41 LEU HA 1 41 LEU HG 3.810 . 4.210 3.697 3.681 3.717 . 0 0 "[ . 1 . 2]" 1
723 1 41 LEU HA 1 42 ASN HB3 5.500 . 5.900 5.870 5.422 6.292 0.392 19 0 "[ . 1 . 2]" 1
724 1 41 LEU HA 1 43 GLY H 4.420 . 4.820 3.367 3.189 3.518 . 0 0 "[ . 1 . 2]" 1
725 1 41 LEU HB3 1 42 ASN H 4.250 . 4.650 4.338 4.203 4.405 . 0 0 "[ . 1 . 2]" 1
726 1 41 LEU HB2 1 42 ASN HA 5.500 . 5.900 4.818 4.703 5.003 . 0 0 "[ . 1 . 2]" 1
727 1 41 LEU HB2 1 42 ASN H 4.360 . 4.760 4.287 4.233 4.369 . 0 0 "[ . 1 . 2]" 1
728 1 41 LEU QD 1 42 ASN HA 5.140 . 5.540 2.810 2.717 2.958 . 0 0 "[ . 1 . 2]" 1
729 1 41 LEU QD 1 42 ASN HB2 5.040 . 5.440 3.806 3.558 4.161 . 0 0 "[ . 1 . 2]" 1
730 1 41 LEU QD 1 42 ASN HB3 5.500 . 5.900 4.734 4.458 4.993 . 0 0 "[ . 1 . 2]" 1
731 1 41 LEU QD 1 42 ASN QD 4.860 . 5.260 3.735 2.718 4.700 . 0 0 "[ . 1 . 2]" 1
732 1 41 LEU QD 1 42 ASN H 4.830 . 5.230 3.190 2.996 3.393 . 0 0 "[ . 1 . 2]" 1
733 1 41 LEU QD 1 43 GLY H 5.500 . 5.900 4.493 4.378 4.621 . 0 0 "[ . 1 . 2]" 1
734 1 41 LEU QD 1 44 MET ME 5.500 . 5.900 6.033 5.458 7.217 1.317 2 3 "[ + . - . * 2]" 1
735 1 41 LEU HG 1 42 ASN HA 5.500 . 5.900 4.385 3.888 4.677 . 0 0 "[ . 1 . 2]" 1
736 1 41 LEU HG 1 42 ASN QD 5.500 . 5.900 4.869 3.475 6.151 0.251 16 0 "[ . 1 . 2]" 1
737 1 41 LEU HG 1 42 ASN H 4.790 . 5.190 3.079 2.912 3.250 . 0 0 "[ . 1 . 2]" 1
738 1 41 LEU H 1 41 LEU HB3 3.770 . 4.170 2.665 2.468 2.820 . 0 0 "[ . 1 . 2]" 1
739 1 41 LEU H 1 41 LEU HB2 3.820 . 4.220 3.638 3.618 3.655 . 0 0 "[ . 1 . 2]" 1
740 1 41 LEU H 1 41 LEU QD 3.990 . 4.390 2.942 2.887 3.009 . 0 0 "[ . 1 . 2]" 1
741 1 41 LEU H 1 41 LEU HG 3.680 . 4.080 2.151 1.964 2.545 . 0 0 "[ . 1 . 2]" 1
742 1 41 LEU H 1 42 ASN HA 5.500 . 5.900 5.009 4.935 5.125 . 0 0 "[ . 1 . 2]" 1
743 1 41 LEU H 1 42 ASN H 4.400 . 4.800 2.567 2.489 2.667 . 0 0 "[ . 1 . 2]" 1
744 1 42 ASN HA 1 43 GLY QA 4.780 . 5.180 4.185 4.114 4.219 . 0 0 "[ . 1 . 2]" 1
745 1 42 ASN HA 1 44 MET ME 4.800 . 5.200 5.152 4.619 6.427 1.227 2 1 "[ + . 1 . 2]" 1
746 1 42 ASN HB2 1 43 GLY H 4.710 . 5.110 4.022 3.653 4.274 . 0 0 "[ . 1 . 2]" 1
747 1 42 ASN HB2 1 44 MET H 4.340 . 4.740 4.447 3.757 5.072 0.332 5 0 "[ . 1 . 2]" 1
748 1 42 ASN HB3 1 43 GLY QA 5.500 . 5.900 4.352 4.201 4.582 . 0 0 "[ . 1 . 2]" 1
749 1 42 ASN HB3 1 43 GLY H 4.230 . 4.630 3.421 3.060 4.002 . 0 0 "[ . 1 . 2]" 1
750 1 42 ASN HB3 1 44 MET ME 4.570 . 4.970 2.757 2.171 4.282 . 0 0 "[ . 1 . 2]" 1
751 1 42 ASN HB3 1 44 MET HG3 5.320 . 5.720 4.332 3.739 5.570 . 0 0 "[ . 1 . 2]" 1
752 1 42 ASN HB3 1 44 MET HG2 5.360 . 5.760 2.764 2.355 3.855 . 0 0 "[ . 1 . 2]" 1
753 1 42 ASN HB3 1 44 MET H 5.320 . 5.720 3.358 2.894 4.206 . 0 0 "[ . 1 . 2]" 1
754 1 42 ASN QD 1 44 MET ME 5.500 . 5.900 4.003 2.770 5.143 . 0 0 "[ . 1 . 2]" 1
755 1 42 ASN H 1 42 ASN HB2 3.430 . 3.830 2.312 2.073 2.753 . 0 0 "[ . 1 . 2]" 1
756 1 42 ASN H 1 42 ASN HB3 3.440 . 3.840 2.840 2.264 3.304 . 0 0 "[ . 1 . 2]" 1
757 1 42 ASN H 1 42 ASN QD 5.210 . 5.610 3.939 3.147 4.567 . 0 0 "[ . 1 . 2]" 1
758 1 42 ASN H 1 43 GLY QA 5.190 . 5.510 4.539 4.455 4.621 . 0 0 "[ . 1 . 2]" 1
759 1 42 ASN H 1 43 GLY H 3.710 . 4.110 2.623 2.515 2.738 . 0 0 "[ . 1 . 2]" 1
760 1 42 ASN H 1 44 MET H 3.830 . 4.230 3.690 3.534 3.862 . 0 0 "[ . 1 . 2]" 1
761 1 43 GLY QA 1 44 MET HA 5.250 . 5.650 4.009 3.996 4.019 . 0 0 "[ . 1 . 2]" 1
762 1 43 GLY QA 1 44 MET QB 5.500 . 5.830 4.205 3.997 4.321 . 0 0 "[ . 1 . 2]" 1
763 1 43 GLY QA 1 44 MET ME 4.150 . 4.550 5.105 4.311 5.906 1.356 1 9 "[+* ** *1-* .* * 2]" 1
764 1 43 GLY QA 1 44 MET HG2 5.500 . 5.900 4.605 4.270 4.985 . 0 0 "[ . 1 . 2]" 1
765 1 43 GLY H 1 44 MET HA 5.050 . 5.450 4.782 4.709 5.033 . 0 0 "[ . 1 . 2]" 1
766 1 43 GLY H 1 44 MET QB 4.900 . 5.300 4.725 4.346 4.913 . 0 0 "[ . 1 . 2]" 1
767 1 44 MET HA 1 44 MET ME 5.150 . 5.550 4.758 4.200 5.435 . 0 0 "[ . 1 . 2]" 1
768 1 44 MET HA 1 44 MET HG3 3.840 . 4.240 3.745 3.650 3.799 . 0 0 "[ . 1 . 2]" 1
769 1 44 MET HA 1 44 MET HG2 3.880 . 4.280 3.769 3.723 3.906 . 0 0 "[ . 1 . 2]" 1
770 1 44 MET HA 1 45 LYS QB 5.310 . 5.710 4.351 4.281 4.421 . 0 0 "[ . 1 . 2]" 1
771 1 44 MET HA 1 45 LYS HG3 5.030 . 5.430 5.413 5.074 5.768 0.338 17 0 "[ . 1 . 2]" 1
772 1 44 MET HA 1 45 LYS HG2 5.500 . 5.900 4.003 3.833 4.238 . 0 0 "[ . 1 . 2]" 1
773 1 44 MET HA 1 48 ASP HB3 5.500 . 5.900 5.535 4.714 6.249 0.349 12 0 "[ . 1 . 2]" 1
774 1 44 MET HA 1 48 ASP HB2 4.600 . 5.000 4.730 4.130 5.271 0.271 12 0 "[ . 1 . 2]" 1
775 1 44 MET QB 1 44 MET ME 3.240 . 3.640 2.718 2.099 3.593 . 0 0 "[ . 1 . 2]" 1
776 1 44 MET QB 1 45 LYS H 5.190 . 5.510 2.595 2.143 3.091 . 0 0 "[ . 1 . 2]" 1
777 1 44 MET QB 1 48 ASP HB3 5.160 . 5.560 3.348 2.897 3.971 . 0 0 "[ . 1 . 2]" 1
778 1 44 MET QB 1 48 ASP HB2 4.520 . 4.920 3.069 2.615 3.650 . 0 0 "[ . 1 . 2]" 1
779 1 44 MET QB 1 49 PHE QE 5.500 . 5.900 4.147 3.641 4.513 . 0 0 "[ . 1 . 2]" 1
780 1 44 MET QB 1 45 LYS HA 5.500 . 5.900 4.669 4.479 4.823 . 0 0 "[ . 1 . 2]" 1
781 1 44 MET QB 1 45 LYS QB 5.020 . 5.420 4.814 4.562 5.074 . 0 0 "[ . 1 . 2]" 1
782 1 44 MET QB 1 45 LYS HG3 4.810 . 5.210 4.816 4.541 5.424 0.214 6 0 "[ . 1 . 2]" 1
783 1 44 MET QB 1 45 LYS HG2 4.920 . 5.320 3.895 3.507 4.306 . 0 0 "[ . 1 . 2]" 1
784 1 44 MET QB 1 49 PHE QD 5.500 . 5.900 4.099 3.381 4.520 . 0 0 "[ . 1 . 2]" 1
785 1 44 MET ME 1 49 PHE QE 3.700 . 4.100 3.747 2.331 4.851 0.751 8 3 "[ * . + 1 - 2]" 1
786 1 44 MET HG3 1 45 LYS HG3 5.500 . 5.900 5.625 5.150 6.282 0.382 9 0 "[ . 1 . 2]" 1
787 1 44 MET HG3 1 45 LYS H 4.370 . 4.770 3.707 3.174 4.356 . 0 0 "[ . 1 . 2]" 1
788 1 44 MET HG3 1 46 LYS H 5.500 . 5.900 5.266 4.873 5.629 . 0 0 "[ . 1 . 2]" 1
789 1 44 MET HG3 1 48 ASP HB3 5.500 . 5.900 4.323 3.638 5.397 . 0 0 "[ . 1 . 2]" 1
790 1 44 MET HG3 1 49 PHE QD 4.790 . 5.190 3.292 2.665 3.816 . 0 0 "[ . 1 . 2]" 1
791 1 44 MET HG3 1 49 PHE QE 4.890 . 5.290 2.311 2.039 2.677 . 0 0 "[ . 1 . 2]" 1
792 1 44 MET HG3 1 49 PHE H 5.500 . 5.900 5.348 4.824 5.729 . 0 0 "[ . 1 . 2]" 1
793 1 44 MET ME 1 44 MET HG2 3.660 . 4.060 2.408 2.273 2.550 . 0 0 "[ . 1 . 2]" 1
794 1 44 MET HG2 1 45 LYS H 4.380 . 4.780 4.664 4.271 5.039 0.259 9 0 "[ . 1 . 2]" 1
795 1 44 MET HG2 1 48 ASP HB3 5.500 . 5.900 5.551 5.001 6.279 0.379 11 0 "[ . 1 . 2]" 1
796 1 44 MET HG2 1 48 ASP HB2 5.440 . 5.840 5.413 4.931 6.206 0.366 16 0 "[ . 1 . 2]" 1
797 1 44 MET HG2 1 49 PHE QD 5.210 . 5.610 4.554 3.865 5.063 . 0 0 "[ . 1 . 2]" 1
798 1 44 MET HG2 1 49 PHE QE 4.720 . 5.120 3.621 3.140 4.047 . 0 0 "[ . 1 . 2]" 1
799 1 44 MET H 1 44 MET HG3 3.970 . 4.370 3.264 2.888 3.774 . 0 0 "[ . 1 . 2]" 1
800 1 44 MET H 1 44 MET HG2 3.920 . 4.320 2.352 2.103 2.657 . 0 0 "[ . 1 . 2]" 1
801 1 44 MET H 1 45 LYS H 4.650 . 5.050 4.398 4.298 4.469 . 0 0 "[ . 1 . 2]" 1
802 1 45 LYS HA 1 45 LYS HG3 4.180 . 4.580 3.813 3.741 3.853 . 0 0 "[ . 1 . 2]" 1
803 1 45 LYS HA 1 45 LYS QG 3.540 . 3.940 3.347 3.334 3.361 . 0 0 "[ . 1 . 2]" 1
804 1 45 LYS HA 1 46 LYS QE 5.500 . 5.900 5.827 5.399 6.147 0.247 5 0 "[ . 1 . 2]" 1
805 1 45 LYS HA 1 46 LYS H 3.530 . 3.930 2.309 2.198 2.376 . 0 0 "[ . 1 . 2]" 1
806 1 45 LYS HA 1 47 GLU H 5.410 . 5.810 4.074 3.864 4.190 . 0 0 "[ . 1 . 2]" 1
807 1 45 LYS QB 1 45 LYS QE . . 4.550 3.189 1.993 3.691 . 0 0 "[ . 1 . 2]" 1
808 1 45 LYS QB 1 46 LYS H 3.860 . 4.260 2.644 2.475 2.922 . 0 0 "[ . 1 . 2]" 1
809 1 45 LYS QB 1 48 ASP H 4.980 . 5.380 3.679 3.502 3.916 . 0 0 "[ . 1 . 2]" 1
810 1 45 LYS QB 1 45 LYS QD 3.250 . 3.650 2.169 2.096 2.316 . 0 0 "[ . 1 . 2]" 1
811 1 45 LYS QB 1 45 LYS HE2 3.820 . 4.220 3.490 2.027 4.055 . 0 0 "[ . 1 . 2]" 1
812 1 45 LYS QB 1 46 LYS HA 5.500 . 5.900 4.682 4.617 4.769 . 0 0 "[ . 1 . 2]" 1
813 1 45 LYS QB 1 46 LYS QD 5.500 . 5.900 5.409 5.163 5.755 . 0 0 "[ . 1 . 2]" 1
814 1 45 LYS QB 1 46 LYS HG2 3.730 . 4.130 3.746 3.450 4.153 0.023 11 0 "[ . 1 . 2]" 1
815 1 45 LYS QB 1 47 GLU HA 5.500 . 5.900 5.162 4.992 5.398 . 0 0 "[ . 1 . 2]" 1
816 1 45 LYS QB 1 47 GLU QG 4.940 . 5.340 3.772 2.309 4.811 . 0 0 "[ . 1 . 2]" 1
817 1 45 LYS QD 1 46 LYS H 4.240 . 4.640 4.782 4.521 5.087 0.447 15 0 "[ . 1 . 2]" 1
818 1 45 LYS QD 1 47 GLU HA 5.500 . 5.900 5.145 4.666 5.602 . 0 0 "[ . 1 . 2]" 1
819 1 45 LYS QD 1 47 GLU HB2 4.740 . 5.140 2.442 2.095 2.833 . 0 0 "[ . 1 . 2]" 1
820 1 45 LYS QD 1 47 GLU QG . . 4.630 3.383 2.396 4.289 . 0 0 "[ . 1 . 2]" 1
821 1 45 LYS QD 1 47 GLU H 4.310 . 4.710 3.703 3.195 4.170 . 0 0 "[ . 1 . 2]" 1
822 1 45 LYS QD 1 48 ASP HA 5.320 . 5.720 4.813 4.103 5.407 . 0 0 "[ . 1 . 2]" 1
823 1 45 LYS QD 1 48 ASP HB2 5.500 . 5.900 4.494 3.501 5.356 . 0 0 "[ . 1 . 2]" 1
824 1 45 LYS QD 1 48 ASP H 4.960 . 5.360 3.880 3.513 4.196 . 0 0 "[ . 1 . 2]" 1
825 1 45 LYS HE2 1 47 GLU QG 4.790 . 5.190 4.699 4.073 5.398 0.208 14 0 "[ . 1 . 2]" 1
826 1 45 LYS QE 1 47 GLU HB3 5.500 . 5.900 4.257 2.861 6.175 0.275 14 0 "[ . 1 . 2]" 1
827 1 45 LYS QE 1 47 GLU HB2 5.500 . 5.900 3.362 2.122 4.711 . 0 0 "[ . 1 . 2]" 1
828 1 45 LYS QE 1 47 GLU QG 5.220 . 5.580 4.323 3.808 5.052 . 0 0 "[ . 1 . 2]" 1
829 1 45 LYS QE 1 47 GLU H 5.050 . 5.450 4.729 4.083 5.467 0.017 4 0 "[ . 1 . 2]" 1
830 1 45 LYS QE 1 48 ASP H 5.500 . 5.900 4.010 3.251 5.058 . 0 0 "[ . 1 . 2]" 1
831 1 45 LYS HG3 1 46 LYS H 4.680 . 5.080 3.987 3.594 4.237 . 0 0 "[ . 1 . 2]" 1
832 1 45 LYS HG3 1 47 GLU HA 5.500 . 5.900 4.488 4.168 4.758 . 0 0 "[ . 1 . 2]" 1
833 1 45 LYS HG3 1 47 GLU QG 5.500 . 5.900 4.025 2.754 4.808 . 0 0 "[ . 1 . 2]" 1
834 1 45 LYS HG3 1 48 ASP HB3 5.250 . 5.650 4.437 3.764 5.002 . 0 0 "[ . 1 . 2]" 1
835 1 45 LYS HG3 1 48 ASP H 5.180 . 5.580 2.013 1.885 2.216 . 0 0 "[ . 1 . 2]" 1
836 1 45 LYS HG2 1 47 GLU HB2 5.080 . 5.480 4.053 3.665 4.411 . 0 0 "[ . 1 . 2]" 1
837 1 45 LYS HG2 1 48 ASP HB3 5.490 . 5.890 4.443 3.900 4.840 . 0 0 "[ . 1 . 2]" 1
838 1 45 LYS HG2 1 48 ASP H 5.290 . 5.690 3.260 2.749 3.586 . 0 0 "[ . 1 . 2]" 1
839 1 45 LYS HE2 1 45 LYS QG 3.220 . 3.620 2.504 2.054 3.446 . 0 0 "[ . 1 . 2]" 1
840 1 45 LYS QG 1 48 ASP HB2 5.270 . 5.670 2.556 2.015 3.235 . 0 0 "[ . 1 . 2]" 1
841 1 45 LYS QG 1 49 PHE QE 5.450 . 5.850 5.269 5.103 5.525 . 0 0 "[ . 1 . 2]" 1
842 1 45 LYS H 1 45 LYS QD 4.410 . 4.810 3.831 3.525 4.148 . 0 0 "[ . 1 . 2]" 1
843 1 45 LYS H 1 45 LYS QE 5.320 . 5.720 4.185 2.880 4.700 . 0 0 "[ . 1 . 2]" 1
844 1 45 LYS H 1 45 LYS HG3 4.370 . 4.770 3.158 2.865 3.519 . 0 0 "[ . 1 . 2]" 1
845 1 45 LYS H 1 45 LYS HG2 4.530 . 4.930 1.947 1.865 2.170 . 0 0 "[ . 1 . 2]" 1
846 1 45 LYS H 1 46 LYS H 5.440 . 5.840 4.589 4.520 4.628 . 0 0 "[ . 1 . 2]" 1
847 1 45 LYS H 1 47 GLU H 5.100 . 5.500 5.072 4.873 5.325 . 0 0 "[ . 1 . 2]" 1
848 1 45 LYS H 1 48 ASP HB3 5.370 . 5.770 4.473 3.692 4.978 . 0 0 "[ . 1 . 2]" 1
849 1 45 LYS H 1 48 ASP HB2 3.990 . 4.390 3.142 2.798 3.535 . 0 0 "[ . 1 . 2]" 1
850 1 45 LYS H 1 48 ASP H 5.020 . 5.420 4.068 3.775 4.508 . 0 0 "[ . 1 . 2]" 1
851 1 46 LYS HA 1 48 ASP HB3 5.500 . 5.900 5.537 4.937 6.089 0.189 17 0 "[ . 1 . 2]" 1
852 1 46 LYS HA 1 49 PHE QD 4.500 . 4.900 3.745 3.569 3.932 . 0 0 "[ . 1 . 2]" 1
853 1 46 LYS HB3 1 47 GLU H 3.890 . 4.290 4.127 4.036 4.219 . 0 0 "[ . 1 . 2]" 1
854 1 46 LYS QB 1 46 LYS QE 4.290 . 4.380 3.597 3.497 3.661 . 0 0 "[ . 1 . 2]" 1
855 1 46 LYS QB 1 47 GLU HA 4.790 . 5.190 4.327 4.071 4.479 . 0 0 "[ . 1 . 2]" 1
856 1 46 LYS QB 1 47 GLU QG 4.690 . 5.090 4.730 4.242 5.582 0.492 5 0 "[ . 1 . 2]" 1
857 1 46 LYS QB 1 48 ASP H 5.500 . 5.900 4.885 4.793 4.945 . 0 0 "[ . 1 . 2]" 1
858 1 46 LYS QB 1 49 PHE QD 5.230 . 5.630 4.483 4.319 4.648 . 0 0 "[ . 1 . 2]" 1
859 1 46 LYS QB 1 50 LEU HA 5.500 . 5.900 5.496 5.053 5.854 . 0 0 "[ . 1 . 2]" 1
860 1 46 LYS QB 1 50 LEU HB2 5.500 . 5.900 5.176 4.283 6.169 0.269 2 0 "[ . 1 . 2]" 1
861 1 46 LYS HG3 1 47 GLU HA 4.450 . 4.850 3.693 3.442 4.387 . 0 0 "[ . 1 . 2]" 1
862 1 46 LYS HG3 1 47 GLU HB3 5.410 . 5.810 5.091 4.693 5.517 . 0 0 "[ . 1 . 2]" 1
863 1 46 LYS HG3 1 47 GLU HB2 5.500 . 5.900 4.553 3.974 4.891 . 0 0 "[ . 1 . 2]" 1
864 1 46 LYS HG3 1 47 GLU QG 4.850 . 5.250 3.276 2.308 4.195 . 0 0 "[ . 1 . 2]" 1
865 1 46 LYS HG2 1 47 GLU QG 4.720 . 5.120 4.209 2.920 5.664 0.544 10 1 "[ . + . 2]" 1
866 1 46 LYS HG2 1 47 GLU H 4.850 . 5.250 3.081 2.721 3.827 . 0 0 "[ . 1 . 2]" 1
867 1 46 LYS H 1 46 LYS HB2 3.610 . 4.010 3.600 3.523 3.627 . 0 0 "[ . 1 . 2]" 1
868 1 46 LYS H 1 46 LYS QB 3.720 . 4.120 2.635 2.523 2.857 . 0 0 "[ . 1 . 2]" 1
869 1 46 LYS H 1 46 LYS QD 4.600 . 5.000 3.822 3.686 4.012 . 0 0 "[ . 1 . 2]" 1
870 1 46 LYS H 1 46 LYS QE 5.130 . 5.530 4.168 3.948 4.358 . 0 0 "[ . 1 . 2]" 1
871 1 46 LYS H 1 46 LYS HG3 4.880 . 5.280 2.988 2.099 3.381 . 0 0 "[ . 1 . 2]" 1
872 1 46 LYS H 1 46 LYS HG2 4.250 . 4.650 2.018 1.855 2.201 . 0 0 "[ . 1 . 2]" 1
873 1 47 GLU HA 1 47 GLU QG 3.510 . 3.910 2.665 2.326 3.203 . 0 0 "[ . 1 . 2]" 1
874 1 47 GLU HA 1 48 ASP HA 4.770 . 5.170 4.821 4.756 4.880 . 0 0 "[ . 1 . 2]" 1
875 1 47 GLU HA 1 50 LEU HA 4.730 . 5.130 4.365 4.019 4.529 . 0 0 "[ . 1 . 2]" 1
876 1 47 GLU HA 1 50 LEU HB2 4.110 . 4.510 2.198 1.897 2.686 . 0 0 "[ . 1 . 2]" 1
877 1 47 GLU HA 1 50 LEU HB3 4.430 . 4.830 3.411 2.527 4.197 . 0 0 "[ . 1 . 2]" 1
878 1 47 GLU HA 1 50 LEU QD 3.790 . 4.190 2.408 2.057 3.047 . 0 0 "[ . 1 . 2]" 1
879 1 47 GLU HA 1 50 LEU HG 4.430 . 4.830 3.748 2.651 4.969 0.139 15 0 "[ . 1 . 2]" 1
880 1 47 GLU HA 1 50 LEU H 4.340 . 4.740 3.632 3.367 3.863 . 0 0 "[ . 1 . 2]" 1
881 1 47 GLU HB3 1 48 ASP HA 5.270 . 5.670 4.544 4.075 5.012 . 0 0 "[ . 1 . 2]" 1
882 1 47 GLU HB3 1 48 ASP H 4.970 . 5.370 3.922 3.508 4.204 . 0 0 "[ . 1 . 2]" 1
883 1 47 GLU HB3 1 50 LEU HB3 5.170 . 5.570 4.523 4.003 5.081 . 0 0 "[ . 1 . 2]" 1
884 1 47 GLU HB3 1 50 LEU QD 4.810 . 5.210 3.297 2.512 3.864 . 0 0 "[ . 1 . 2]" 1
885 1 47 GLU HB3 1 50 LEU H 5.500 . 5.900 5.028 4.882 5.241 . 0 0 "[ . 1 . 2]" 1
886 1 47 GLU HB2 1 48 ASP HA 5.160 . 5.560 4.325 3.998 4.931 . 0 0 "[ . 1 . 2]" 1
887 1 47 GLU HB2 1 48 ASP H 4.990 . 5.390 3.017 2.951 3.286 . 0 0 "[ . 1 . 2]" 1
888 1 47 GLU HB2 1 50 LEU HB2 5.500 . 5.900 4.879 4.442 5.286 . 0 0 "[ . 1 . 2]" 1
889 1 47 GLU HB2 1 50 LEU QD 4.840 . 5.240 4.382 3.924 4.839 . 0 0 "[ . 1 . 2]" 1
890 1 47 GLU HB2 1 50 LEU H 5.500 . 5.900 5.604 5.304 5.855 . 0 0 "[ . 1 . 2]" 1
891 1 47 GLU QB 1 50 LEU HB3 5.500 . 5.900 4.367 3.887 4.890 . 0 0 "[ . 1 . 2]" 1
892 1 47 GLU QB 1 50 LEU QD 4.570 . 4.970 3.196 2.485 3.689 . 0 0 "[ . 1 . 2]" 1
893 1 47 GLU QG 1 48 ASP H . . 5.240 4.338 3.646 4.732 . 0 0 "[ . 1 . 2]" 1
894 1 47 GLU QG 1 50 LEU HB3 5.500 . 5.900 5.159 3.488 6.601 0.701 2 2 "[ + . -1 . 2]" 1
895 1 47 GLU QG 1 50 LEU QD 3.880 . 4.280 3.093 2.233 3.870 . 0 0 "[ . 1 . 2]" 1
896 1 47 GLU H 1 47 GLU HB3 4.090 . 4.490 3.556 3.411 3.592 . 0 0 "[ . 1 . 2]" 1
897 1 47 GLU H 1 47 GLU HB2 4.040 . 4.440 2.507 2.108 2.911 . 0 0 "[ . 1 . 2]" 1
898 1 47 GLU H 1 47 GLU QG 4.010 . 4.400 2.668 1.678 3.677 0.122 2 0 "[ . 1 . 2]" 1
899 1 47 GLU H 1 48 ASP HA 5.300 . 5.700 5.198 5.151 5.277 . 0 0 "[ . 1 . 2]" 1
900 1 47 GLU H 1 48 ASP HB3 5.500 . 5.900 5.849 5.382 6.237 0.337 11 0 "[ . 1 . 2]" 1
901 1 47 GLU H 1 48 ASP HB2 5.500 . 5.900 4.536 4.433 4.776 . 0 0 "[ . 1 . 2]" 1
902 1 47 GLU H 1 48 ASP H 4.080 . 4.480 2.648 2.604 2.744 . 0 0 "[ . 1 . 2]" 1
903 1 48 ASP HA 1 49 PHE HA 5.130 . 5.530 4.538 4.460 4.583 . 0 0 "[ . 1 . 2]" 1
904 1 48 ASP HA 1 49 PHE HB3 5.500 . 5.900 5.543 5.419 5.661 . 0 0 "[ . 1 . 2]" 1
905 1 48 ASP HA 1 49 PHE QD 5.340 . 5.740 5.146 4.963 5.445 . 0 0 "[ . 1 . 2]" 1
906 1 48 ASP HA 1 50 LEU H 5.090 . 5.490 3.946 3.829 4.029 . 0 0 "[ . 1 . 2]" 1
907 1 48 ASP HB3 1 49 PHE QD 5.500 . 5.900 3.102 2.647 3.695 . 0 0 "[ . 1 . 2]" 1
908 1 48 ASP HB3 1 49 PHE QE 5.500 . 5.900 4.717 4.204 5.277 . 0 0 "[ . 1 . 2]" 1
909 1 48 ASP HB3 1 49 PHE H 5.420 . 5.820 3.256 2.745 3.641 . 0 0 "[ . 1 . 2]" 1
910 1 48 ASP HB2 1 49 PHE QD 5.500 . 5.900 3.632 2.702 4.443 . 0 0 "[ . 1 . 2]" 1
911 1 48 ASP HB2 1 49 PHE H 5.080 . 5.480 3.352 2.614 3.843 . 0 0 "[ . 1 . 2]" 1
912 1 48 ASP H 1 48 ASP HB2 3.920 . 4.320 2.156 2.091 2.324 . 0 0 "[ . 1 . 2]" 1
913 1 48 ASP H 1 50 LEU H 4.940 . 5.340 4.306 4.108 4.520 . 0 0 "[ . 1 . 2]" 1
914 1 49 PHE HA 1 49 PHE QD 3.980 . 4.380 3.728 3.699 3.750 . 0 0 "[ . 1 . 2]" 1
915 1 49 PHE HA 1 49 PHE QE 5.500 . 5.900 5.651 5.622 5.673 . 0 0 "[ . 1 . 2]" 1
916 1 49 PHE HB3 1 50 LEU H 5.010 . 5.410 4.633 4.616 4.655 . 0 0 "[ . 1 . 2]" 1
917 1 49 PHE H 1 49 PHE HD2 4.460 . 4.860 3.177 2.717 4.013 . 0 0 "[ . 1 . 2]" 1
918 1 49 PHE H 1 50 LEU HA 5.230 . 5.630 4.487 4.346 4.645 . 0 0 "[ . 1 . 2]" 1
919 1 49 PHE H 1 50 LEU HB2 5.040 . 5.440 4.063 3.622 4.597 . 0 0 "[ . 1 . 2]" 1
920 1 49 PHE H 1 50 LEU HB3 4.820 . 5.220 5.065 4.344 5.564 0.344 2 0 "[ . 1 . 2]" 1
921 1 49 PHE H 1 50 LEU H 3.790 . 4.190 2.689 2.458 2.901 . 0 0 "[ . 1 . 2]" 1
922 1 50 LEU HA 1 50 LEU QD 3.480 . 3.880 2.358 2.042 2.888 . 0 0 "[ . 1 . 2]" 1
923 1 50 LEU HA 1 50 LEU HG 3.890 . 4.290 2.694 2.307 3.334 . 0 0 "[ . 1 . 2]" 1
924 1 50 LEU HB2 1 51 VAL H 4.880 . 5.280 4.468 4.130 4.636 . 0 0 "[ . 1 . 2]" 1
925 1 50 LEU HB3 1 51 VAL H 4.710 . 5.110 4.195 3.768 4.513 . 0 0 "[ . 1 . 2]" 1
926 1 50 LEU QD 1 52 LYS QD 3.050 . 3.410 2.857 2.101 4.337 0.927 16 2 "[ - 1 .+ 2]" 1
927 1 50 LEU QD 1 52 LYS QE 3.960 . 4.160 4.376 3.779 5.103 0.943 15 7 "[ * * 1** +* -2]" 1
928 1 50 LEU QD 1 51 VAL HA 3.910 . 4.310 3.902 3.380 4.260 . 0 0 "[ . 1 . 2]" 1
929 1 50 LEU QD 1 51 VAL H 4.020 . 4.420 2.698 2.107 3.269 . 0 0 "[ . 1 . 2]" 1
930 1 50 LEU QD 1 52 LYS HA 4.400 . 4.800 4.023 3.404 4.381 . 0 0 "[ . 1 . 2]" 1
931 1 50 LEU QD 1 52 LYS QG 3.850 . 4.250 2.968 2.183 3.484 . 0 0 "[ . 1 . 2]" 1
932 1 50 LEU QD 1 53 ASP H 5.500 . 5.900 5.810 5.256 6.080 0.180 7 0 "[ . 1 . 2]" 1
933 1 50 LEU HG 1 51 VAL QG 5.500 . 5.900 5.108 4.498 5.612 . 0 0 "[ . 1 . 2]" 1
934 1 50 LEU HG 1 51 VAL H 4.050 . 4.450 3.954 3.233 4.503 0.053 8 0 "[ . 1 . 2]" 1
935 1 50 LEU HG 1 52 LYS QD 5.380 . 5.780 4.591 2.433 7.505 1.725 16 1 "[ . 1 .+ 2]" 1
936 1 50 LEU HG 1 52 LYS QE 5.500 . 5.900 6.535 4.300 8.288 2.388 16 14 "[**-*.* *** *.+****]" 1
937 1 50 LEU H 1 50 LEU HB2 3.780 . 4.180 2.421 2.089 2.893 . 0 0 "[ . 1 . 2]" 1
938 1 50 LEU H 1 50 LEU HB3 3.690 . 4.090 2.727 2.220 3.187 . 0 0 "[ . 1 . 2]" 1
939 1 50 LEU H 1 50 LEU QD 4.250 . 4.650 3.760 3.672 3.789 . 0 0 "[ . 1 . 2]" 1
940 1 50 LEU H 1 50 LEU HG 4.600 . 5.000 4.189 3.758 4.401 . 0 0 "[ . 1 . 2]" 1
941 1 50 LEU H 1 51 VAL H 4.790 . 5.190 4.352 4.181 4.521 . 0 0 "[ . 1 . 2]" 1
942 1 51 VAL HA 1 52 LYS QB 5.300 . 5.700 4.443 4.284 4.688 . 0 0 "[ . 1 . 2]" 1
943 1 51 VAL HA 1 52 LYS QD 5.460 . 5.860 2.775 2.320 5.051 . 0 0 "[ . 1 . 2]" 1
944 1 51 VAL HA 1 52 LYS QG 5.490 . 5.890 4.273 3.400 4.753 . 0 0 "[ . 1 . 2]" 1
945 1 51 VAL HA 1 52 LYS H 2.990 . 3.390 2.303 2.112 2.457 . 0 0 "[ . 1 . 2]" 1
946 1 51 VAL HB 1 52 LYS H 4.290 . 4.690 3.676 2.447 4.276 . 0 0 "[ . 1 . 2]" 1
947 1 51 VAL HB 1 57 GLU QB 5.500 . 5.900 4.928 3.445 6.639 0.739 11 1 "[ . 1+ . 2]" 1
948 1 51 VAL QG 1 52 LYS HA . . 4.850 3.635 3.338 4.176 . 0 0 "[ . 1 . 2]" 1
949 1 51 VAL QG 1 52 LYS H . . 4.140 2.443 1.986 3.169 . 0 0 "[ . 1 . 2]" 1
950 1 51 VAL QG 1 52 LYS QB 4.830 . 5.230 4.107 3.787 4.652 . 0 0 "[ . 1 . 2]" 1
951 1 51 VAL QG 1 53 ASP HA 4.390 . 4.790 4.591 4.139 5.342 0.552 12 1 "[ . 1 + . 2]" 1
952 1 51 VAL QG 1 54 THR H 5.450 . 5.850 5.099 4.768 5.651 . 0 0 "[ . 1 . 2]" 1
953 1 51 VAL QG 1 55 GLU QB 5.500 . 5.900 4.731 3.976 5.825 . 0 0 "[ . 1 . 2]" 1
954 1 51 VAL QG 1 55 GLU QG 5.500 . 5.900 4.811 3.325 6.511 0.611 10 1 "[ . + . 2]" 1
955 1 51 VAL QG 1 56 GLU HA 5.500 . 5.900 2.206 1.875 2.851 . 0 0 "[ . 1 . 2]" 1
956 1 51 VAL QG 1 57 GLU QB 4.870 . 5.270 3.348 1.917 4.245 . 0 0 "[ . 1 . 2]" 1
957 1 51 VAL QG 1 57 GLU H 4.640 . 5.040 2.251 1.778 2.648 0.022 12 0 "[ . 1 . 2]" 1
958 1 51 VAL H 1 51 VAL HB 4.130 . 4.530 3.106 2.361 3.807 . 0 0 "[ . 1 . 2]" 1
959 1 51 VAL H 1 51 VAL QG 3.800 . 4.200 2.207 2.022 2.895 . 0 0 "[ . 1 . 2]" 1
960 1 51 VAL H 1 52 LYS HA 5.370 . 5.770 4.946 4.814 5.128 . 0 0 "[ . 1 . 2]" 1
961 1 51 VAL H 1 52 LYS QD 5.500 . 5.900 4.363 3.718 6.960 1.060 16 1 "[ . 1 .+ 2]" 1
962 1 51 VAL H 1 52 LYS QE 5.500 . 5.900 6.088 5.290 7.961 2.061 16 4 "[ * * -+ 2]" 1
963 1 51 VAL H 1 52 LYS H 4.780 . 5.180 4.453 4.111 4.595 . 0 0 "[ . 1 . 2]" 1
964 1 52 LYS HA 1 52 LYS QD 3.230 . 3.630 3.444 2.904 4.302 0.672 16 1 "[ . 1 .+ 2]" 1
965 1 52 LYS HA 1 52 LYS QE 4.400 . 4.800 4.179 3.737 4.803 0.003 10 0 "[ . 1 . 2]" 1
966 1 52 LYS HA 1 52 LYS QG 3.200 . 3.600 2.515 2.401 2.770 . 0 0 "[ . 1 . 2]" 1
967 1 52 LYS HA 1 53 ASP H 2.790 . 3.190 2.477 2.403 2.527 . 0 0 "[ . 1 . 2]" 1
968 1 52 LYS HA 1 54 THR MG 5.260 . 5.660 5.804 4.466 7.088 1.428 5 10 "[ * + ***- *** *]" 1
969 1 52 LYS HA 1 54 THR H 4.600 . 5.000 4.069 3.844 4.260 . 0 0 "[ . 1 . 2]" 1
970 1 52 LYS HA 1 55 GLU QG 4.840 . 5.240 6.591 5.091 8.079 2.839 5 14 "[ * *+** *** *** -**]" 1
971 1 52 LYS QB 1 53 ASP H 4.170 . 4.250 2.248 2.115 2.508 . 0 0 "[ . 1 . 2]" 1
972 1 52 LYS QB 1 54 THR MG . . 5.300 3.450 2.100 4.723 . 0 0 "[ . 1 . 2]" 1
973 1 52 LYS QB 1 54 THR H 4.500 . 4.880 2.348 2.199 2.500 . 0 0 "[ . 1 . 2]" 1
974 1 52 LYS QB 1 55 GLU QB 5.130 . 5.530 4.595 3.192 5.439 . 0 0 "[ . 1 . 2]" 1
975 1 52 LYS QB 1 55 GLU QG 5.170 . 5.570 4.091 2.907 5.573 0.003 5 0 "[ . 1 . 2]" 1
976 1 52 LYS QB 1 55 GLU H 5.310 . 5.550 5.314 4.970 5.592 0.042 7 0 "[ . 1 . 2]" 1
977 1 52 LYS QB 1 53 ASP QB 6.100 . 6.500 3.770 3.536 4.282 . 0 0 "[ . 1 . 2]" 1
978 1 52 LYS QB 1 54 THR HB 5.500 . 5.900 4.038 3.134 4.597 . 0 0 "[ . 1 . 2]" 1
979 1 52 LYS QD 1 53 ASP H 4.630 . 5.030 5.067 4.834 5.258 0.228 16 0 "[ . 1 . 2]" 1
980 1 52 LYS QD 1 55 GLU QG 5.290 . 5.690 4.756 3.970 5.904 0.214 10 0 "[ . 1 . 2]" 1
981 1 52 LYS QE 1 54 THR MG 4.710 . 5.110 3.847 2.068 5.648 0.538 13 2 "[ - . 1 + . 2]" 1
982 1 52 LYS QE 1 55 GLU QG 5.420 . 5.820 3.279 2.210 5.647 . 0 0 "[ . 1 . 2]" 1
983 1 52 LYS QE 1 52 LYS QG 2.710 . 3.110 2.391 2.199 2.487 . 0 0 "[ . 1 . 2]" 1
984 1 52 LYS QG 1 53 ASP QB 5.410 . 5.810 5.265 4.861 5.750 . 0 0 "[ . 1 . 2]" 1
985 1 52 LYS QG 1 53 ASP H 4.110 . 4.510 3.863 3.557 4.238 . 0 0 "[ . 1 . 2]" 1
986 1 52 LYS QG 1 54 THR MG 4.690 . 5.090 4.762 3.222 6.179 1.089 16 10 "[ * * -*** *+* *]" 1
987 1 52 LYS QG 1 54 THR H 5.150 . 5.550 4.323 4.153 4.509 . 0 0 "[ . 1 . 2]" 1
988 1 52 LYS QG 1 55 GLU QG 5.500 . 5.900 5.386 4.404 6.641 0.741 5 2 "[ + 1 . -]" 1
989 1 52 LYS H 1 52 LYS QB 3.450 . 3.850 2.612 2.399 2.885 . 0 0 "[ . 1 . 2]" 1
990 1 52 LYS H 1 52 LYS QD 4.350 . 4.750 2.424 1.874 3.536 . 0 0 "[ . 1 . 2]" 1
991 1 52 LYS H 1 52 LYS QE 4.780 . 5.180 2.871 2.052 4.742 . 0 0 "[ . 1 . 2]" 1
992 1 52 LYS H 1 52 LYS QG 3.970 . 4.370 3.381 2.065 3.808 . 0 0 "[ . 1 . 2]" 1
993 1 52 LYS H 1 53 ASP HA 5.500 . 5.900 5.356 5.121 5.666 . 0 0 "[ . 1 . 2]" 1
994 1 52 LYS H 1 53 ASP H 4.650 . 5.050 4.486 4.436 4.656 . 0 0 "[ . 1 . 2]" 1
995 1 53 ASP HA 1 54 THR HA 4.670 . 5.070 4.617 4.563 4.648 . 0 0 "[ . 1 . 2]" 1
996 1 53 ASP HA 1 54 THR MG 5.200 . 5.600 5.362 4.938 6.031 0.431 20 0 "[ . 1 . 2]" 1
997 1 53 ASP HA 1 54 THR H 2.790 . 3.190 3.460 3.350 3.518 0.328 5 0 "[ . 1 . 2]" 1
998 1 53 ASP HA 1 55 GLU QG 5.500 . 5.900 7.121 6.385 8.379 2.479 6 19 "[** **+******-*******]" 1
999 1 53 ASP QB 1 54 THR MG 5.500 . 5.740 4.401 3.274 5.590 . 0 0 "[ . 1 . 2]" 1
1000 1 53 ASP QB 1 54 THR H . . 4.680 3.071 2.687 3.678 . 0 0 "[ . 1 . 2]" 1
1001 1 53 ASP QB 1 54 THR HA 5.700 . 6.100 4.591 4.340 4.938 . 0 0 "[ . 1 . 2]" 1
1002 1 53 ASP QB 1 54 THR HB 5.500 . 5.900 4.848 3.782 6.241 0.341 11 0 "[ . 1 . 2]" 1
1003 1 53 ASP H 1 53 ASP QB 3.290 . 3.690 2.216 2.109 2.276 . 0 0 "[ . 1 . 2]" 1
1004 1 53 ASP H 1 54 THR MG 5.500 . 5.900 4.725 3.507 6.089 0.189 5 0 "[ . 1 . 2]" 1
1005 1 53 ASP H 1 54 THR H 3.920 . 4.320 2.619 2.420 2.808 . 0 0 "[ . 1 . 2]" 1
1006 1 54 THR HA 1 54 THR MG 3.240 . 3.640 2.729 2.166 3.233 . 0 0 "[ . 1 . 2]" 1
1007 1 54 THR HA 1 56 GLU H 4.060 . 4.460 3.917 3.283 4.782 0.322 20 0 "[ . 1 . 2]" 1
1008 1 54 THR MG 1 55 GLU HA 5.500 . 5.900 4.573 3.702 5.345 . 0 0 "[ . 1 . 2]" 1
1009 1 54 THR MG 1 55 GLU QB 5.500 . 5.900 3.724 2.592 4.890 . 0 0 "[ . 1 . 2]" 1
1010 1 54 THR MG 1 55 GLU QG 5.500 . 5.900 3.047 2.013 4.768 . 0 0 "[ . 1 . 2]" 1
1011 1 54 THR MG 1 55 GLU H 4.290 . 4.690 3.173 2.076 3.877 . 0 0 "[ . 1 . 2]" 1
1012 1 54 THR MG 1 56 GLU H 4.510 . 4.910 5.090 4.478 5.561 0.651 11 3 "[ * . 1+ - 2]" 1
1013 1 54 THR H 1 54 THR HB 3.580 . 3.980 2.964 2.689 3.552 . 0 0 "[ . 1 . 2]" 1
1014 1 54 THR H 1 54 THR MG 3.870 . 4.270 2.812 1.952 3.828 . 0 0 "[ . 1 . 2]" 1
1015 1 54 THR H 1 55 GLU QB 5.500 . 5.900 5.275 4.324 5.946 0.046 11 0 "[ . 1 . 2]" 1
1016 1 54 THR H 1 55 GLU H 3.290 . 3.690 4.494 4.441 4.551 0.861 7 20 [******+*********-***] 1
1017 1 55 GLU HA 1 55 GLU QG 3.700 . 4.100 2.982 2.261 3.403 . 0 0 "[ . 1 . 2]" 1
1018 1 55 GLU QB 1 56 GLU H 3.930 . 4.330 3.928 3.795 4.065 . 0 0 "[ . 1 . 2]" 1
1019 1 55 GLU QG 1 56 GLU H 3.990 . 4.390 4.289 3.607 4.611 0.221 2 0 "[ . 1 . 2]" 1
1020 1 55 GLU QG 1 57 GLU H 5.400 . 5.800 6.545 5.326 7.625 1.825 15 10 "[ * **** *- +* *2]" 1
1021 1 55 GLU H 1 55 GLU HA 2.920 . 3.320 2.259 2.242 2.281 . 0 0 "[ . 1 . 2]" 1
1022 1 55 GLU H 1 55 GLU QB 3.220 . 3.620 3.141 2.902 3.488 . 0 0 "[ . 1 . 2]" 1
1023 1 55 GLU H 1 55 GLU QG 3.900 . 4.300 3.249 2.661 4.210 . 0 0 "[ . 1 . 2]" 1
1024 1 55 GLU H 1 56 GLU H 3.240 . 3.640 2.852 2.487 3.287 . 0 0 "[ . 1 . 2]" 1
1025 1 56 GLU HA 1 56 GLU QG 3.390 . 3.790 3.181 2.629 3.501 . 0 0 "[ . 1 . 2]" 1
1026 1 56 GLU HA 1 57 GLU QB 5.500 . 5.900 4.442 3.956 4.768 . 0 0 "[ . 1 . 2]" 1
1027 1 56 GLU HA 1 57 GLU H 3.000 . 3.400 2.261 2.158 2.290 . 0 0 "[ . 1 . 2]" 1
1028 1 56 GLU HB2 1 57 GLU H 4.890 . 5.290 3.027 2.680 3.535 . 0 0 "[ . 1 . 2]" 1
1029 1 56 GLU HB3 1 57 GLU H 4.160 . 4.560 3.461 2.757 4.167 . 0 0 "[ . 1 . 2]" 1
1030 1 56 GLU QG 1 57 GLU H 5.500 . 5.900 4.149 3.281 4.622 . 0 0 "[ . 1 . 2]" 1
1031 1 56 GLU H 1 56 GLU HA 2.730 . 3.130 2.897 2.868 2.946 . 0 0 "[ . 1 . 2]" 1
1032 1 56 GLU H 1 56 GLU HB2 3.170 . 3.570 3.365 2.780 3.668 0.098 14 0 "[ . 1 . 2]" 1
1033 1 56 GLU H 1 56 GLU HB3 3.870 . 4.270 3.145 2.425 3.612 . 0 0 "[ . 1 . 2]" 1
1034 1 56 GLU H 1 57 GLU H 3.910 . 4.310 4.571 4.503 4.601 0.291 17 0 "[ . 1 . 2]" 1
1035 1 57 GLU H 1 57 GLU QG 4.660 . 5.060 2.532 1.813 4.001 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 282
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 12.779
_Distance_constraint_stats_list.Viol_max 0.329
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.1597
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 1 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 DC 0.392 0.329 2 0 "[ . 1 . 2]"
3 2 DC 0.329 0.329 2 0 "[ . 1 . 2]"
3 3 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 4 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 5 DT 0.247 0.247 16 0 "[ . 1 . 2]"
3 6 DC 0.247 0.247 16 0 "[ . 1 . 2]"
3 7 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 8 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 11 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 12 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 13 DC 0.000 0.000 . 0 "[ . 1 . 2]"
3 14 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 15 DC 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 1 DG H1' 2 1 DG H8 4.180 . 5.020 3.894 3.872 3.901 . 0 0 "[ . 1 . 2]" 2
2 2 1 DG H1' 2 2 DC H6 3.630 . 4.360 3.593 3.321 3.920 . 0 0 "[ . 1 . 2]" 2
3 2 1 DG H2' 2 1 DG H8 2.990 . 3.590 2.531 2.400 2.847 . 0 0 "[ . 1 . 2]" 2
4 2 1 DG H2'' 2 1 DG H8 4.180 . 5.020 3.941 3.821 4.195 . 0 0 "[ . 1 . 2]" 2
5 2 1 DG H2'' 2 2 DC H6 2.680 . 3.220 2.124 2.023 2.326 . 0 0 "[ . 1 . 2]" 2
6 2 1 DG H2' 2 2 DC H6 4.120 . 4.940 3.604 3.349 3.838 . 0 0 "[ . 1 . 2]" 2
7 2 1 DG H3' 2 1 DG H8 4.810 . 5.770 4.445 4.379 4.615 . 0 0 "[ . 1 . 2]" 2
8 2 1 DG H1' 2 1 DG H4' 3.820 . 4.580 3.405 3.391 3.421 . 0 0 "[ . 1 . 2]" 2
9 2 1 DG H2' 2 1 DG H4' 4.110 . 4.930 3.843 3.837 3.851 . 0 0 "[ . 1 . 2]" 2
10 2 1 DG H2'' 2 1 DG H4' 4.340 . 5.210 4.053 4.042 4.063 . 0 0 "[ . 1 . 2]" 2
11 2 1 DG H4' 2 1 DG H8 5.060 . 6.070 4.724 4.610 4.794 . 0 0 "[ . 1 . 2]" 2
12 2 1 DG H1' 2 1 DG Q5' 5.050 . 6.060 4.322 4.314 4.332 . 0 0 "[ . 1 . 2]" 2
13 2 1 DG H3' 2 1 DG Q5' 3.120 . 3.740 2.186 2.171 2.203 . 0 0 "[ . 1 . 2]" 2
14 2 1 DG Q5' 2 1 DG H8 4.350 . 5.220 3.576 3.525 3.625 . 0 0 "[ . 1 . 2]" 2
15 2 1 DG H8 2 2 DC H6 5.440 . 6.530 5.480 5.255 5.864 . 0 0 "[ . 1 . 2]" 2
16 2 2 DC H1' 2 2 DC H6 4.050 . 4.860 3.740 3.732 3.748 . 0 0 "[ . 1 . 2]" 2
17 2 2 DC H1' 2 3 DG H8 3.690 . 4.430 3.091 2.768 3.388 . 0 0 "[ . 1 . 2]" 2
18 2 2 DC H2' 2 2 DC H6 2.620 . 3.140 2.048 1.961 2.172 . 0 0 "[ . 1 . 2]" 2
19 2 2 DC H2'' 2 2 DC H6 3.930 . 4.720 3.480 3.371 3.607 . 0 0 "[ . 1 . 2]" 2
20 2 2 DC H2'' 2 3 DG H8 2.650 . 3.180 1.967 1.853 2.135 . 0 0 "[ . 1 . 2]" 2
21 2 2 DC H2' 2 3 DG H8 3.830 . 4.600 3.315 3.168 3.495 . 0 0 "[ . 1 . 2]" 2
22 2 2 DC H3' 2 3 DG H8 4.920 . 5.900 4.634 4.516 4.823 . 0 0 "[ . 1 . 2]" 2
23 2 2 DC H1' 2 2 DC Q5' 4.180 . 5.020 4.242 4.211 4.265 . 0 0 "[ . 1 . 2]" 2
24 2 2 DC H6 2 3 DG H8 5.140 . 6.170 4.487 4.244 4.846 . 0 0 "[ . 1 . 2]" 2
25 2 3 DG H1' 2 3 DG H8 4.100 . 4.920 3.884 3.876 3.894 . 0 0 "[ . 1 . 2]" 2
26 2 3 DG H1' 2 4 DA H8 3.750 . 4.500 3.529 3.333 3.753 . 0 0 "[ . 1 . 2]" 2
27 2 3 DG H2' 2 3 DG H8 2.830 . 3.400 2.460 2.357 2.574 . 0 0 "[ . 1 . 2]" 2
28 2 3 DG H2'' 2 3 DG H8 4.080 . 4.900 3.854 3.748 3.957 . 0 0 "[ . 1 . 2]" 2
29 2 3 DG H3' 2 3 DG H8 4.840 . 5.810 4.399 4.332 4.461 . 0 0 "[ . 1 . 2]" 2
30 2 3 DG H4' 2 3 DG H8 5.360 . 6.430 4.869 4.807 4.956 . 0 0 "[ . 1 . 2]" 2
31 2 3 DG H8 2 4 DA H8 5.180 . 6.220 5.048 4.898 5.263 . 0 0 "[ . 1 . 2]" 2
32 2 4 DA H1' 2 4 DA H2'' 3.260 . 3.910 2.435 2.411 2.447 . 0 0 "[ . 1 . 2]" 2
33 2 4 DA H1' 2 4 DA H2' 3.800 . 4.560 3.077 3.075 3.079 . 0 0 "[ . 1 . 2]" 2
34 2 4 DA H1' 2 4 DA H2 4.580 . 5.500 4.494 4.475 4.514 . 0 0 "[ . 1 . 2]" 2
35 2 4 DA H1' 2 4 DA H8 4.140 . 4.970 3.896 3.884 3.905 . 0 0 "[ . 1 . 2]" 2
36 2 4 DA H1' 2 5 DT H6 3.910 . 4.690 3.654 3.551 3.762 . 0 0 "[ . 1 . 2]" 2
37 2 4 DA H1' 2 5 DT M7 4.710 . 5.650 3.877 3.736 4.032 . 0 0 "[ . 1 . 2]" 2
38 2 4 DA H2'' 2 4 DA H8 4.080 . 4.900 3.826 3.744 3.884 . 0 0 "[ . 1 . 2]" 2
39 2 4 DA H2'' 2 5 DT H6 2.670 . 3.200 2.191 2.104 2.318 . 0 0 "[ . 1 . 2]" 2
40 2 4 DA H2' 2 5 DT H6 3.970 . 4.760 3.615 3.443 3.791 . 0 0 "[ . 1 . 2]" 2
41 2 4 DA H3' 2 4 DA H8 4.770 . 5.720 4.405 4.352 4.446 . 0 0 "[ . 1 . 2]" 2
42 2 4 DA H3' 2 5 DT H6 5.010 . 6.010 4.767 4.653 4.936 . 0 0 "[ . 1 . 2]" 2
43 2 4 DA H1' 2 4 DA H4' 3.680 . 4.420 3.169 3.155 3.182 . 0 0 "[ . 1 . 2]" 2
44 2 4 DA H2' 2 4 DA H4' 4.080 . 4.900 3.883 3.873 3.892 . 0 0 "[ . 1 . 2]" 2
45 2 4 DA H2'' 2 4 DA H4' 4.410 . 5.290 3.965 3.958 3.972 . 0 0 "[ . 1 . 2]" 2
46 2 4 DA H8 2 5 DT H6 5.300 . 6.360 5.243 5.038 5.417 . 0 0 "[ . 1 . 2]" 2
47 2 4 DA H8 2 5 DT M7 4.120 . 4.940 2.753 2.609 2.973 . 0 0 "[ . 1 . 2]" 2
48 2 5 DT H1' 2 6 DA H8 3.700 . 4.440 3.351 3.088 3.580 . 0 0 "[ . 1 . 2]" 2
49 2 5 DT H2'' 2 5 DT H6 3.900 . 4.680 3.552 3.422 3.619 . 0 0 "[ . 1 . 2]" 2
50 2 5 DT H2'' 2 6 DA H8 2.920 . 3.500 2.017 1.954 2.094 . 0 0 "[ . 1 . 2]" 2
51 2 5 DT H2' 2 6 DA H8 3.750 . 4.500 3.304 3.131 3.393 . 0 0 "[ . 1 . 2]" 2
52 2 5 DT H3' 2 5 DT H6 4.190 . 5.030 4.069 4.019 4.095 . 0 0 "[ . 1 . 2]" 2
53 2 5 DT H6 2 6 DA H8 5.070 . 6.080 4.589 4.282 4.746 . 0 0 "[ . 1 . 2]" 2
54 2 6 DA H1' 2 7 DA H8 3.890 . 4.670 3.458 3.262 3.747 . 0 0 "[ . 1 . 2]" 2
55 2 6 DA H2' 2 6 DA H8 2.820 . 3.380 2.480 2.420 2.553 . 0 0 "[ . 1 . 2]" 2
56 2 6 DA H2'' 2 6 DA H8 4.070 . 4.880 3.867 3.810 3.935 . 0 0 "[ . 1 . 2]" 2
57 2 6 DA H3' 2 6 DA H8 4.750 . 5.700 4.419 4.347 4.469 . 0 0 "[ . 1 . 2]" 2
58 2 6 DA H3' 2 7 DA H8 5.060 . 6.070 4.633 4.524 4.741 . 0 0 "[ . 1 . 2]" 2
59 2 7 DA H1' 2 7 DA H2 4.620 . 5.540 4.485 4.463 4.511 . 0 0 "[ . 1 . 2]" 2
60 2 7 DA H1' 2 8 DT H6 3.690 . 4.430 3.481 3.352 3.683 . 0 0 "[ . 1 . 2]" 2
61 2 7 DA H1' 2 8 DT M7 5.110 . 6.130 3.786 3.610 3.980 . 0 0 "[ . 1 . 2]" 2
62 2 7 DA H2 3 10 DT H1' 5.070 . 6.080 3.988 3.695 4.627 . 0 0 "[ . 1 . 2]" 2
63 2 7 DA H2' 2 7 DA H8 2.830 . 3.400 2.515 2.416 2.575 . 0 0 "[ . 1 . 2]" 2
64 2 7 DA H2'' 2 7 DA H8 4.050 . 4.860 3.895 3.796 3.950 . 0 0 "[ . 1 . 2]" 2
65 2 7 DA H3' 2 7 DA H8 4.830 . 5.800 4.449 4.391 4.509 . 0 0 "[ . 1 . 2]" 2
66 2 7 DA H3' 2 8 DT M7 5.440 . 6.530 4.028 3.936 4.109 . 0 0 "[ . 1 . 2]" 2
67 2 7 DA H1' 2 7 DA H4' 4.120 . 4.940 3.165 3.155 3.174 . 0 0 "[ . 1 . 2]" 2
68 2 7 DA H8 2 8 DT H6 5.140 . 6.170 5.254 5.139 5.365 . 0 0 "[ . 1 . 2]" 2
69 2 7 DA H8 2 8 DT M7 3.730 . 4.480 2.832 2.666 3.012 . 0 0 "[ . 1 . 2]" 2
70 2 8 DT H1' 2 9 DT H6 4.040 . 4.850 3.788 3.641 3.924 . 0 0 "[ . 1 . 2]" 2
71 2 8 DT H3' 2 8 DT H6 4.510 . 5.410 4.133 4.065 4.201 . 0 0 "[ . 1 . 2]" 2
72 2 8 DT H6 2 9 DT H6 5.120 . 6.140 5.178 4.884 5.357 . 0 0 "[ . 1 . 2]" 2
73 2 8 DT H6 2 9 DT M7 4.350 . 5.220 2.946 2.742 3.215 . 0 0 "[ . 1 . 2]" 2
74 2 9 DT H1' 2 10 DG H8 3.810 . 4.570 3.301 3.066 3.542 . 0 0 "[ . 1 . 2]" 2
75 2 9 DT H2' 2 9 DT H6 3.640 . 4.370 2.050 1.973 2.139 . 0 0 "[ . 1 . 2]" 2
76 2 9 DT H2'' 2 9 DT H6 4.490 . 5.390 3.472 3.391 3.570 . 0 0 "[ . 1 . 2]" 2
77 2 9 DT H6 2 10 DG H8 5.190 . 6.230 4.475 4.251 4.834 . 0 0 "[ . 1 . 2]" 2
78 2 10 DG H1' 2 10 DG H8 3.970 . 4.760 3.886 3.880 3.897 . 0 0 "[ . 1 . 2]" 2
79 2 10 DG H1' 2 11 DA H8 4.200 . 5.040 3.417 3.207 3.657 . 0 0 "[ . 1 . 2]" 2
80 2 10 DG H2' 2 10 DG H8 2.940 . 3.530 2.456 2.381 2.558 . 0 0 "[ . 1 . 2]" 2
81 2 10 DG H2'' 2 10 DG H8 4.110 . 4.930 3.837 3.762 3.932 . 0 0 "[ . 1 . 2]" 2
82 2 10 DG H3' 2 10 DG H8 4.730 . 5.680 4.426 4.378 4.498 . 0 0 "[ . 1 . 2]" 2
83 2 10 DG H3' 2 11 DA H8 5.030 . 6.040 4.684 4.549 4.762 . 0 0 "[ . 1 . 2]" 2
84 2 10 DG H4' 2 10 DG H8 5.160 . 6.190 4.915 4.874 4.955 . 0 0 "[ . 1 . 2]" 2
85 2 10 DG H5' 2 10 DG H8 4.700 . 5.640 4.198 4.045 4.353 . 0 0 "[ . 1 . 2]" 2
86 2 10 DG H5'' 2 10 DG H8 5.180 . 6.220 4.976 4.890 5.059 . 0 0 "[ . 1 . 2]" 2
87 2 10 DG H8 2 11 DA H8 5.230 . 6.280 5.005 4.800 5.251 . 0 0 "[ . 1 . 2]" 2
88 2 11 DA H1' 2 11 DA H2'' 3.280 . 3.940 2.441 2.430 2.456 . 0 0 "[ . 1 . 2]" 2
89 2 11 DA H1' 2 11 DA H2' 3.630 . 4.360 3.077 3.075 3.080 . 0 0 "[ . 1 . 2]" 2
90 2 11 DA H1' 2 11 DA H2 4.600 . 5.520 4.494 4.479 4.518 . 0 0 "[ . 1 . 2]" 2
91 2 11 DA H1' 2 11 DA H8 4.130 . 4.960 3.895 3.885 3.900 . 0 0 "[ . 1 . 2]" 2
92 2 11 DA H1' 2 12 DT H6 3.830 . 4.600 3.622 3.402 3.999 . 0 0 "[ . 1 . 2]" 2
93 2 11 DA H1' 2 12 DT M7 4.770 . 5.720 3.872 3.693 4.056 . 0 0 "[ . 1 . 2]" 2
94 2 11 DA H2' 2 11 DA H8 2.770 . 3.320 2.498 2.377 2.634 . 0 0 "[ . 1 . 2]" 2
95 2 11 DA H2'' 2 11 DA H8 4.100 . 4.920 3.882 3.765 4.009 . 0 0 "[ . 1 . 2]" 2
96 2 11 DA H2'' 2 12 DT H6 3.290 . 3.950 2.138 2.046 2.285 . 0 0 "[ . 1 . 2]" 2
97 2 11 DA H2' 2 12 DT H6 3.980 . 4.780 3.538 3.419 3.641 . 0 0 "[ . 1 . 2]" 2
98 2 11 DA H3' 2 11 DA H8 4.600 . 5.520 4.441 4.381 4.521 . 0 0 "[ . 1 . 2]" 2
99 2 11 DA H3' 2 12 DT H6 4.890 . 5.870 4.718 4.584 4.854 . 0 0 "[ . 1 . 2]" 2
100 2 11 DA H3' 2 12 DT M7 5.260 . 6.310 3.986 3.812 4.154 . 0 0 "[ . 1 . 2]" 2
101 2 11 DA H1' 2 11 DA H4' 3.710 . 4.450 3.163 3.144 3.179 . 0 0 "[ . 1 . 2]" 2
102 2 11 DA H2' 2 11 DA H4' 4.070 . 4.880 3.882 3.869 3.887 . 0 0 "[ . 1 . 2]" 2
103 2 11 DA H2'' 2 11 DA H4' 4.350 . 5.220 3.966 3.959 3.976 . 0 0 "[ . 1 . 2]" 2
104 2 11 DA H4' 2 11 DA H8 5.680 . 6.820 4.901 4.829 4.973 . 0 0 "[ . 1 . 2]" 2
105 2 11 DA H8 2 12 DT H6 5.330 . 6.400 5.221 4.958 5.454 . 0 0 "[ . 1 . 2]" 2
106 2 11 DA H8 2 12 DT M7 4.340 . 5.210 2.760 2.574 2.980 . 0 0 "[ . 1 . 2]" 2
107 2 12 DT H1' 2 13 DA H8 3.750 . 4.500 3.387 3.078 3.544 . 0 0 "[ . 1 . 2]" 2
108 2 12 DT H2' 2 12 DT H6 2.800 . 3.360 2.161 1.992 2.247 . 0 0 "[ . 1 . 2]" 2
109 2 12 DT H2'' 2 12 DT H6 3.900 . 4.680 3.585 3.409 3.675 . 0 0 "[ . 1 . 2]" 2
110 2 12 DT H2'' 2 13 DA H8 2.820 . 3.380 2.021 1.926 2.202 . 0 0 "[ . 1 . 2]" 2
111 2 12 DT H2' 2 13 DA H8 3.640 . 4.370 3.289 3.073 3.576 . 0 0 "[ . 1 . 2]" 2
112 2 12 DT H6 2 13 DA H8 4.870 . 5.840 4.620 4.396 4.810 . 0 0 "[ . 1 . 2]" 2
113 2 13 DA H1' 2 13 DA H2'' 3.260 . 3.910 2.442 2.429 2.451 . 0 0 "[ . 1 . 2]" 2
114 2 13 DA H1' 2 13 DA H2' 3.720 . 4.460 3.077 3.074 3.080 . 0 0 "[ . 1 . 2]" 2
115 2 13 DA H1' 2 13 DA H8 4.070 . 4.880 3.896 3.880 3.904 . 0 0 "[ . 1 . 2]" 2
116 2 13 DA H1' 2 14 DG H8 3.910 . 4.690 3.426 3.211 3.713 . 0 0 "[ . 1 . 2]" 2
117 2 13 DA H2' 2 13 DA H8 2.850 . 3.420 2.453 2.367 2.519 . 0 0 "[ . 1 . 2]" 2
118 2 13 DA H2'' 2 13 DA H8 4.100 . 4.920 3.838 3.754 3.899 . 0 0 "[ . 1 . 2]" 2
119 2 13 DA H2'' 2 14 DG H8 2.670 . 3.200 2.049 1.969 2.232 . 0 0 "[ . 1 . 2]" 2
120 2 13 DA H2' 2 14 DG H8 3.900 . 4.680 3.354 3.172 3.650 . 0 0 "[ . 1 . 2]" 2
121 2 13 DA H3' 2 13 DA H8 4.770 . 5.720 4.424 4.380 4.468 . 0 0 "[ . 1 . 2]" 2
122 2 13 DA H3' 2 14 DG H8 4.890 . 5.870 4.701 4.586 4.883 . 0 0 "[ . 1 . 2]" 2
123 2 13 DA H1' 2 13 DA H4' 3.680 . 4.420 3.163 3.153 3.171 . 0 0 "[ . 1 . 2]" 2
124 2 13 DA H8 2 14 DG H8 5.330 . 6.400 4.855 4.710 5.111 . 0 0 "[ . 1 . 2]" 2
125 2 14 DG H1' 2 14 DG H8 4.160 . 4.990 3.893 3.882 3.898 . 0 0 "[ . 1 . 2]" 2
126 2 14 DG H1' 2 15 DG H8 3.890 . 4.670 3.539 3.253 3.844 . 0 0 "[ . 1 . 2]" 2
127 2 14 DG H2'' 2 14 DG H8 3.740 . 4.490 3.827 3.707 3.902 . 0 0 "[ . 1 . 2]" 2
128 2 14 DG H2' 2 14 DG H8 3.830 . 4.600 2.443 2.332 2.510 . 0 0 "[ . 1 . 2]" 2
129 2 14 DG H2'' 2 15 DG H8 2.810 . 3.370 2.150 1.990 2.360 . 0 0 "[ . 1 . 2]" 2
130 2 14 DG H2' 2 15 DG H8 3.870 . 4.640 3.384 3.219 3.613 . 0 0 "[ . 1 . 2]" 2
131 2 14 DG H3' 2 14 DG H8 4.790 . 5.750 4.425 4.380 4.463 . 0 0 "[ . 1 . 2]" 2
132 2 14 DG H3' 2 15 DG H8 5.120 . 6.140 4.800 4.643 5.030 . 0 0 "[ . 1 . 2]" 2
133 2 14 DG H1' 2 14 DG H4' 3.670 . 4.400 3.163 3.149 3.174 . 0 0 "[ . 1 . 2]" 2
134 2 14 DG H2' 2 14 DG H4' 4.140 . 4.970 3.884 3.879 3.887 . 0 0 "[ . 1 . 2]" 2
135 2 14 DG H2'' 2 14 DG H4' 4.260 . 5.110 3.976 3.968 3.985 . 0 0 "[ . 1 . 2]" 2
136 2 15 DG H1' 2 15 DG H2' 3.090 . 3.710 3.077 3.076 3.079 . 0 0 "[ . 1 . 2]" 2
137 2 15 DG H1' 2 15 DG H2'' 3.590 . 4.310 2.438 2.435 2.442 . 0 0 "[ . 1 . 2]" 2
138 2 15 DG H1' 2 15 DG H8 4.170 . 5.000 3.895 3.881 3.906 . 0 0 "[ . 1 . 2]" 2
139 2 15 DG H2' 2 15 DG H8 2.640 . 3.170 2.431 2.332 2.548 . 0 0 "[ . 1 . 2]" 2
140 2 15 DG H2'' 2 15 DG H8 4.140 . 4.970 3.823 3.717 3.939 . 0 0 "[ . 1 . 2]" 2
141 2 15 DG H3' 2 15 DG H8 4.580 . 5.500 4.408 4.360 4.448 . 0 0 "[ . 1 . 2]" 2
142 2 15 DG H1' 2 15 DG Q5' 5.230 . 6.280 4.201 4.179 4.224 . 0 0 "[ . 1 . 2]" 2
143 3 1 DC H1' 3 1 DC H6 4.010 . 4.810 3.692 3.602 3.736 . 0 0 "[ . 1 . 2]" 2
144 3 1 DC H1' 3 2 DC H6 3.580 . 4.300 3.518 3.186 4.049 . 0 0 "[ . 1 . 2]" 2
145 3 1 DC H2' 3 1 DC H6 2.870 . 3.440 2.764 2.467 3.212 . 0 0 "[ . 1 . 2]" 2
146 3 1 DC H2'' 3 1 DC H6 4.210 . 5.050 4.093 3.877 4.390 . 0 0 "[ . 1 . 2]" 2
147 3 1 DC H2'' 3 2 DC H6 3.060 . 3.670 2.197 2.000 2.387 . 0 0 "[ . 1 . 2]" 2
148 3 1 DC H2' 3 2 DC H6 3.930 . 4.720 3.776 3.585 3.950 . 0 0 "[ . 1 . 2]" 2
149 3 1 DC H3' 3 1 DC H6 4.670 . 5.600 4.387 4.222 4.653 . 0 0 "[ . 1 . 2]" 2
150 3 1 DC H3' 3 2 DC H5 5.680 . 6.820 5.076 4.844 5.423 . 0 0 "[ . 1 . 2]" 2
151 3 1 DC H3' 3 2 DC H6 4.830 . 5.800 4.633 4.451 4.840 . 0 0 "[ . 1 . 2]" 2
152 3 1 DC H1' 3 1 DC H4' 3.810 . 4.570 3.382 3.360 3.396 . 0 0 "[ . 1 . 2]" 2
153 3 1 DC H4' 3 1 DC H6 4.670 . 5.600 4.273 4.153 4.387 . 0 0 "[ . 1 . 2]" 2
154 3 1 DC H3' 3 1 DC H5' 3.300 . 3.960 3.398 3.380 3.410 . 0 0 "[ . 1 . 2]" 2
155 3 1 DC H3' 3 1 DC H5'' 3.390 . 4.070 2.220 2.189 2.242 . 0 0 "[ . 1 . 2]" 2
156 3 1 DC H5'' 3 1 DC H6 3.150 . 3.780 3.606 3.501 3.828 0.048 2 0 "[ . 1 . 2]" 2
157 3 1 DC H5' 3 1 DC H6 4.520 . 5.420 3.967 3.866 4.089 . 0 0 "[ . 1 . 2]" 2
158 3 1 DC H5 3 2 DC H5 5.270 . 6.320 5.772 5.199 6.649 0.329 2 0 "[ . 1 . 2]" 2
159 3 1 DC H6 3 2 DC H5 4.990 . 5.990 5.075 4.399 5.971 . 0 0 "[ . 1 . 2]" 2
160 3 1 DC H6 3 2 DC H6 5.520 . 6.620 5.896 5.519 6.496 . 0 0 "[ . 1 . 2]" 2
161 3 2 DC H1' 3 2 DC H2' 3.640 . 4.370 3.077 3.074 3.081 . 0 0 "[ . 1 . 2]" 2
162 3 2 DC H1' 3 2 DC H6 3.990 . 4.790 3.742 3.728 3.754 . 0 0 "[ . 1 . 2]" 2
163 3 2 DC H1' 3 3 DT H6 3.910 . 4.690 3.585 3.419 3.760 . 0 0 "[ . 1 . 2]" 2
164 3 2 DC H1' 3 3 DT M7 4.710 . 5.650 3.822 3.637 4.058 . 0 0 "[ . 1 . 2]" 2
165 3 2 DC H2' 3 2 DC H6 2.670 . 3.200 2.253 2.122 2.394 . 0 0 "[ . 1 . 2]" 2
166 3 2 DC H2'' 3 2 DC H6 4.000 . 4.800 3.680 3.559 3.801 . 0 0 "[ . 1 . 2]" 2
167 3 2 DC H3' 3 2 DC H6 4.420 . 5.300 4.129 4.058 4.202 . 0 0 "[ . 1 . 2]" 2
168 3 2 DC H1' 3 2 DC H4' 3.650 . 4.380 3.214 3.201 3.234 . 0 0 "[ . 1 . 2]" 2
169 3 2 DC H5 3 3 DT M7 4.620 . 5.540 3.284 2.969 3.513 . 0 0 "[ . 1 . 2]" 2
170 3 2 DC H6 3 3 DT M7 4.250 . 5.100 2.809 2.616 2.961 . 0 0 "[ . 1 . 2]" 2
171 3 3 DT H1' 3 3 DT H6 4.030 . 4.840 3.726 3.720 3.736 . 0 0 "[ . 1 . 2]" 2
172 3 3 DT H1' 3 4 DA H8 3.650 . 4.380 3.287 3.152 3.497 . 0 0 "[ . 1 . 2]" 2
173 3 3 DT H2' 3 3 DT H6 2.680 . 3.220 2.099 1.992 2.233 . 0 0 "[ . 1 . 2]" 2
174 3 3 DT H2'' 3 3 DT H6 3.910 . 4.690 3.525 3.411 3.656 . 0 0 "[ . 1 . 2]" 2
175 3 3 DT H2'' 3 4 DA H8 2.850 . 3.420 2.005 1.921 2.134 . 0 0 "[ . 1 . 2]" 2
176 3 3 DT H2' 3 4 DA H8 3.640 . 4.370 3.227 3.093 3.404 . 0 0 "[ . 1 . 2]" 2
177 3 3 DT H3' 3 3 DT H6 4.390 . 5.270 4.068 4.010 4.111 . 0 0 "[ . 1 . 2]" 2
178 3 3 DT H3' 3 4 DA H8 5.010 . 6.010 4.693 4.595 4.813 . 0 0 "[ . 1 . 2]" 2
179 3 3 DT H6 3 4 DA H8 4.870 . 5.840 4.410 4.264 4.644 . 0 0 "[ . 1 . 2]" 2
180 3 4 DA H1' 3 4 DA H2'' 3.190 . 3.830 2.432 2.419 2.455 . 0 0 "[ . 1 . 2]" 2
181 3 4 DA H1' 3 4 DA H2' 3.810 . 4.570 3.076 3.073 3.078 . 0 0 "[ . 1 . 2]" 2
182 3 4 DA H1' 3 4 DA H2 5.160 . 6.190 4.490 4.467 4.512 . 0 0 "[ . 1 . 2]" 2
183 3 4 DA H1' 3 4 DA H8 4.160 . 4.990 3.894 3.880 3.903 . 0 0 "[ . 1 . 2]" 2
184 3 4 DA H1' 3 5 DT H6 3.840 . 4.610 3.539 3.338 3.686 . 0 0 "[ . 1 . 2]" 2
185 3 4 DA H1' 3 5 DT M7 4.770 . 5.720 3.767 3.525 3.901 . 0 0 "[ . 1 . 2]" 2
186 3 4 DA H2' 3 4 DA H8 2.990 . 3.590 2.555 2.421 2.629 . 0 0 "[ . 1 . 2]" 2
187 3 4 DA H2'' 3 4 DA H8 4.200 . 5.040 3.930 3.807 4.001 . 0 0 "[ . 1 . 2]" 2
188 3 4 DA H2'' 3 5 DT H6 2.650 . 3.180 2.124 2.033 2.184 . 0 0 "[ . 1 . 2]" 2
189 3 4 DA H2' 3 5 DT H6 3.900 . 4.680 3.544 3.395 3.673 . 0 0 "[ . 1 . 2]" 2
190 3 4 DA H3' 3 4 DA H8 4.760 . 5.710 4.447 4.377 4.503 . 0 0 "[ . 1 . 2]" 2
191 3 4 DA H3' 3 5 DT H6 5.050 . 6.060 4.750 4.650 4.836 . 0 0 "[ . 1 . 2]" 2
192 3 4 DA H1' 3 4 DA H4' 3.560 . 4.270 3.096 3.087 3.110 . 0 0 "[ . 1 . 2]" 2
193 3 4 DA H4' 3 4 DA H8 5.160 . 6.190 4.907 4.864 4.958 . 0 0 "[ . 1 . 2]" 2
194 3 4 DA H8 3 5 DT H6 5.320 . 6.380 5.265 5.113 5.393 . 0 0 "[ . 1 . 2]" 2
195 3 4 DA H8 3 5 DT M7 4.390 . 5.270 2.774 2.618 2.925 . 0 0 "[ . 1 . 2]" 2
196 3 5 DT H1' 3 5 DT H2'' 2.990 . 3.590 2.426 2.414 2.436 . 0 0 "[ . 1 . 2]" 2
197 3 5 DT H1' 3 5 DT H2' 3.710 . 4.450 3.076 3.074 3.079 . 0 0 "[ . 1 . 2]" 2
198 3 5 DT H1' 3 6 DC H6 3.750 . 4.500 3.853 3.589 4.409 . 0 0 "[ . 1 . 2]" 2
199 3 5 DT H2' 3 5 DT H6 2.650 . 3.180 2.249 2.164 2.389 . 0 0 "[ . 1 . 2]" 2
200 3 5 DT H2'' 3 5 DT H6 3.960 . 4.750 3.666 3.594 3.790 . 0 0 "[ . 1 . 2]" 2
201 3 5 DT H3' 3 5 DT H6 4.460 . 5.350 4.105 4.048 4.167 . 0 0 "[ . 1 . 2]" 2
202 3 5 DT H6 3 6 DC H5 3.940 . 4.730 4.299 3.918 4.977 0.247 16 0 "[ . 1 . 2]" 2
203 3 5 DT M7 3 6 DC H5 4.910 . 5.890 4.425 4.142 4.852 . 0 0 "[ . 1 . 2]" 2
204 3 6 DC H1' 3 6 DC H2'' 3.340 . 4.010 2.435 2.419 2.450 . 0 0 "[ . 1 . 2]" 2
205 3 6 DC H1' 3 6 DC H2' 4.080 . 4.900 3.077 3.075 3.080 . 0 0 "[ . 1 . 2]" 2
206 3 6 DC H1' 3 6 DC H6 3.970 . 4.760 3.743 3.735 3.750 . 0 0 "[ . 1 . 2]" 2
207 3 6 DC H1' 3 7 DA H8 3.700 . 4.440 3.718 3.195 4.288 . 0 0 "[ . 1 . 2]" 2
208 3 6 DC H2' 3 6 DC H6 2.690 . 3.230 2.072 1.917 2.173 . 0 0 "[ . 1 . 2]" 2
209 3 6 DC H2'' 3 6 DC H6 3.880 . 4.660 3.508 3.314 3.620 . 0 0 "[ . 1 . 2]" 2
210 3 6 DC H6 3 7 DA H8 5.050 . 6.060 4.876 4.391 5.371 . 0 0 "[ . 1 . 2]" 2
211 3 7 DA H1' 3 7 DA H8 4.180 . 5.020 3.883 3.858 3.899 . 0 0 "[ . 1 . 2]" 2
212 3 7 DA H1' 3 8 DA H8 3.700 . 4.440 3.434 3.026 3.846 . 0 0 "[ . 1 . 2]" 2
213 3 7 DA H1' 3 7 DA H4' 3.640 . 4.370 3.189 3.168 3.211 . 0 0 "[ . 1 . 2]" 2
214 3 8 DA H1' 3 8 DA H2'' 3.330 . 4.000 2.428 2.413 2.438 . 0 0 "[ . 1 . 2]" 2
215 3 8 DA H1' 3 8 DA H2 4.610 . 5.530 4.498 4.481 4.523 . 0 0 "[ . 1 . 2]" 2
216 3 8 DA H1' 3 8 DA H8 4.150 . 4.980 3.886 3.878 3.902 . 0 0 "[ . 1 . 2]" 2
217 3 8 DA H1' 3 9 DT H6 3.770 . 4.520 3.655 3.433 3.932 . 0 0 "[ . 1 . 2]" 2
218 3 8 DA H1' 3 9 DT M7 4.760 . 5.710 3.962 3.755 4.210 . 0 0 "[ . 1 . 2]" 2
219 3 8 DA H2'' 3 9 DT H6 3.100 . 3.720 2.151 2.016 2.438 . 0 0 "[ . 1 . 2]" 2
220 3 8 DA H2' 3 9 DT H6 4.000 . 4.800 3.584 3.441 3.878 . 0 0 "[ . 1 . 2]" 2
221 2 9 DT H1' 3 8 DA H2 5.050 . 6.060 4.149 3.689 4.980 . 0 0 "[ . 1 . 2]" 2
222 3 8 DA H3' 3 9 DT H6 5.050 . 6.060 4.693 4.501 5.071 . 0 0 "[ . 1 . 2]" 2
223 3 8 DA H3' 3 9 DT M7 5.460 . 6.550 3.927 3.700 4.376 . 0 0 "[ . 1 . 2]" 2
224 3 8 DA H1' 3 8 DA H4' 3.620 . 4.340 3.160 3.140 3.190 . 0 0 "[ . 1 . 2]" 2
225 3 8 DA H8 3 9 DT M7 4.450 . 5.340 2.870 2.576 3.090 . 0 0 "[ . 1 . 2]" 2
226 3 9 DT H2' 3 9 DT H6 2.720 . 3.260 2.221 2.071 2.389 . 0 0 "[ . 1 . 2]" 2
227 3 9 DT H2'' 3 9 DT H6 3.950 . 4.740 3.647 3.506 3.796 . 0 0 "[ . 1 . 2]" 2
228 3 9 DT H2'' 3 10 DT H6 2.950 . 3.540 2.115 2.006 2.271 . 0 0 "[ . 1 . 2]" 2
229 3 9 DT H2' 3 10 DT H6 3.800 . 4.560 3.302 3.055 3.565 . 0 0 "[ . 1 . 2]" 2
230 3 9 DT H3' 3 9 DT H6 4.300 . 5.160 4.086 4.033 4.157 . 0 0 "[ . 1 . 2]" 2
231 3 9 DT H3' 3 10 DT H6 5.000 . 6.000 4.638 4.474 4.838 . 0 0 "[ . 1 . 2]" 2
232 3 9 DT H6 3 10 DT M7 4.960 . 5.950 2.654 2.454 2.878 . 0 0 "[ . 1 . 2]" 2
233 3 10 DT H1' 3 11 DA H8 3.800 . 4.560 3.183 2.907 3.488 . 0 0 "[ . 1 . 2]" 2
234 3 10 DT H2' 3 11 DA H8 3.550 . 4.260 3.177 3.016 3.355 . 0 0 "[ . 1 . 2]" 2
235 3 10 DT H2'' 3 11 DA H8 3.910 . 4.690 2.002 1.919 2.102 . 0 0 "[ . 1 . 2]" 2
236 3 10 DT H3' 3 10 DT H6 4.160 . 4.990 4.075 4.018 4.115 . 0 0 "[ . 1 . 2]" 2
237 3 10 DT H3' 3 11 DA H8 4.990 . 5.990 4.700 4.605 4.818 . 0 0 "[ . 1 . 2]" 2
238 3 10 DT H6 3 11 DA H8 4.790 . 5.750 4.225 4.042 4.585 . 0 0 "[ . 1 . 2]" 2
239 3 11 DA H1' 3 12 DT H6 3.790 . 4.550 3.549 3.418 3.645 . 0 0 "[ . 1 . 2]" 2
240 3 11 DA H1' 3 12 DT M7 5.170 . 6.200 3.769 3.556 3.923 . 0 0 "[ . 1 . 2]" 2
241 3 11 DA H2'' 3 11 DA H8 4.340 . 5.210 4.018 3.911 4.137 . 0 0 "[ . 1 . 2]" 2
242 3 11 DA H2'' 3 12 DT H6 2.700 . 3.240 2.101 2.022 2.169 . 0 0 "[ . 1 . 2]" 2
243 3 11 DA H2' 3 12 DT H6 4.030 . 4.840 3.529 3.406 3.645 . 0 0 "[ . 1 . 2]" 2
244 3 11 DA H3' 3 11 DA H8 4.720 . 5.660 4.500 4.412 4.592 . 0 0 "[ . 1 . 2]" 2
245 3 11 DA H3' 3 12 DT H6 5.050 . 6.060 4.720 4.626 4.829 . 0 0 "[ . 1 . 2]" 2
246 3 11 DA H3' 3 12 DT M7 5.330 . 6.400 4.002 3.860 4.253 . 0 0 "[ . 1 . 2]" 2
247 3 11 DA H8 3 12 DT M7 4.220 . 5.060 2.920 2.747 3.170 . 0 0 "[ . 1 . 2]" 2
248 3 12 DT H1' 3 12 DT H2'' 3.030 . 3.640 2.433 2.418 2.446 . 0 0 "[ . 1 . 2]" 2
249 3 12 DT H1' 3 12 DT H2' 3.550 . 4.260 3.076 3.073 3.079 . 0 0 "[ . 1 . 2]" 2
250 3 12 DT H1' 3 13 DC H6 3.770 . 4.520 3.633 3.443 3.792 . 0 0 "[ . 1 . 2]" 2
251 3 12 DT H2' 3 12 DT H6 2.700 . 3.240 2.311 2.250 2.452 . 0 0 "[ . 1 . 2]" 2
252 3 12 DT H2'' 3 12 DT H6 3.930 . 4.720 3.720 3.663 3.843 . 0 0 "[ . 1 . 2]" 2
253 3 12 DT H2'' 3 13 DC H6 2.620 . 3.140 2.153 1.983 2.320 . 0 0 "[ . 1 . 2]" 2
254 3 12 DT H2' 3 13 DC H6 3.860 . 4.630 3.581 3.293 3.820 . 0 0 "[ . 1 . 2]" 2
255 3 12 DT H3' 3 12 DT H6 4.390 . 5.270 4.137 4.091 4.190 . 0 0 "[ . 1 . 2]" 2
256 3 12 DT H6 3 13 DC H5 3.930 . 4.720 4.126 3.733 4.367 . 0 0 "[ . 1 . 2]" 2
257 3 12 DT H6 3 13 DC H6 5.150 . 6.180 5.248 4.986 5.441 . 0 0 "[ . 1 . 2]" 2
258 3 13 DC H1' 3 13 DC H6 3.950 . 4.740 3.744 3.735 3.751 . 0 0 "[ . 1 . 2]" 2
259 3 13 DC H1' 3 14 DG H8 3.980 . 4.780 3.296 3.129 3.725 . 0 0 "[ . 1 . 2]" 2
260 3 13 DC H2' 3 13 DC H6 2.890 . 3.470 2.172 2.090 2.264 . 0 0 "[ . 1 . 2]" 2
261 3 13 DC H2'' 3 13 DC H6 3.780 . 4.540 3.599 3.531 3.680 . 0 0 "[ . 1 . 2]" 2
262 3 13 DC H2'' 3 14 DG H8 3.280 . 3.940 2.052 1.980 2.134 . 0 0 "[ . 1 . 2]" 2
263 3 13 DC H2' 3 14 DG H8 4.190 . 5.030 3.320 3.184 3.491 . 0 0 "[ . 1 . 2]" 2
264 3 13 DC H6 3 14 DG H8 5.130 . 6.160 4.606 4.423 4.793 . 0 0 "[ . 1 . 2]" 2
265 3 14 DG H1' 3 14 DG H8 4.060 . 4.870 3.892 3.885 3.896 . 0 0 "[ . 1 . 2]" 2
266 3 14 DG H1' 3 15 DC H6 3.990 . 4.790 3.547 3.299 3.881 . 0 0 "[ . 1 . 2]" 2
267 3 14 DG H2' 3 14 DG H8 3.160 . 3.790 2.440 2.299 2.515 . 0 0 "[ . 1 . 2]" 2
268 3 14 DG H2'' 3 14 DG H8 4.060 . 4.870 3.822 3.671 3.891 . 0 0 "[ . 1 . 2]" 2
269 3 14 DG H2'' 3 15 DC H6 2.900 . 3.480 2.066 1.945 2.279 . 0 0 "[ . 1 . 2]" 2
270 3 14 DG H2' 3 15 DC H6 3.920 . 4.700 3.434 3.135 3.722 . 0 0 "[ . 1 . 2]" 2
271 3 14 DG H3' 3 14 DG H8 4.790 . 5.750 4.419 4.362 4.458 . 0 0 "[ . 1 . 2]" 2
272 3 14 DG H3' 3 15 DC H6 5.050 . 6.060 4.660 4.508 4.873 . 0 0 "[ . 1 . 2]" 2
273 3 14 DG H1' 3 14 DG H4' 3.780 . 4.540 3.157 3.144 3.169 . 0 0 "[ . 1 . 2]" 2
274 3 14 DG H4' 3 14 DG H8 5.150 . 6.180 4.929 4.881 5.023 . 0 0 "[ . 1 . 2]" 2
275 3 14 DG H8 3 15 DC H5 4.020 . 4.820 3.772 3.436 4.172 . 0 0 "[ . 1 . 2]" 2
276 3 14 DG H8 3 15 DC H6 5.160 . 6.190 5.021 4.688 5.355 . 0 0 "[ . 1 . 2]" 2
277 3 15 DC H1' 3 15 DC H2'' 3.110 . 3.730 2.433 2.427 2.437 . 0 0 "[ . 1 . 2]" 2
278 3 15 DC H1' 3 15 DC H2' 3.640 . 4.370 3.077 3.074 3.078 . 0 0 "[ . 1 . 2]" 2
279 3 15 DC H1' 3 15 DC H6 3.940 . 4.730 3.743 3.730 3.754 . 0 0 "[ . 1 . 2]" 2
280 3 15 DC H2' 3 15 DC H6 2.680 . 3.220 2.244 2.111 2.381 . 0 0 "[ . 1 . 2]" 2
281 3 15 DC H2'' 3 15 DC H6 3.910 . 4.690 3.671 3.527 3.788 . 0 0 "[ . 1 . 2]" 2
282 3 15 DC H3' 3 15 DC H6 4.370 . 5.240 4.131 4.082 4.212 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 31 ARG HE 2 9 DT H1' 5.000 . 5.000 3.473 2.698 4.011 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 44.946
_Distance_constraint_stats_list.Viol_max 0.948
_Distance_constraint_stats_list.Viol_rms 0.1463
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0281
_Distance_constraint_stats_list.Viol_average_violations_only 0.7491
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.624 0.624 18 1 "[ . 1 . + 2]"
1 37 LYS 1.623 0.948 18 2 "[ - . 1 . + 2]"
2 9 DT 2.247 0.948 18 2 "[ * . 1 . + 2]"
2 10 DG 2.247 0.948 18 2 "[ * . 1 . + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 32 GLN QG 2 9 DT Q5' 4.800 . 4.800 2.878 1.896 3.715 . 0 0 "[ . 1 . 2]" 4
2 1 34 ARG QD 2 9 DT Q5' 5.500 . 5.500 3.980 2.054 6.124 0.624 18 1 "[ . 1 . + 2]" 4
3 1 34 ARG HA 2 9 DT Q5' 5.500 . 5.500 3.627 2.806 5.328 . 0 0 "[ . 1 . 2]" 4
4 1 37 LYS QD 2 9 DT Q5' 5.500 . 5.500 4.401 3.542 6.448 0.948 18 2 "[ - . 1 . + 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 15
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 162.881
_Distance_constraint_stats_list.Viol_max 0.349
_Distance_constraint_stats_list.Viol_rms 0.0601
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0271
_Distance_constraint_stats_list.Viol_average_violations_only 0.0840
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 1 DG 1.534 0.349 14 0 "[ . 1 . 2]"
2 2 DC 0.662 0.173 8 0 "[ . 1 . 2]"
2 3 DG 1.147 0.260 2 0 "[ . 1 . 2]"
2 4 DA 0.025 0.025 2 0 "[ . 1 . 2]"
2 5 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DA 0.219 0.086 14 0 "[ . 1 . 2]"
2 7 DA 0.129 0.057 15 0 "[ . 1 . 2]"
2 8 DT 0.325 0.169 1 0 "[ . 1 . 2]"
2 9 DT 0.542 0.132 1 0 "[ . 1 . 2]"
2 10 DG 0.281 0.135 1 0 "[ . 1 . 2]"
2 11 DA 0.721 0.251 1 0 "[ . 1 . 2]"
2 12 DT 0.045 0.037 18 0 "[ . 1 . 2]"
2 13 DA 0.074 0.035 6 0 "[ . 1 . 2]"
2 14 DG 1.412 0.197 4 0 "[ . 1 . 2]"
2 15 DG 1.030 0.303 4 0 "[ . 1 . 2]"
3 1 DC 1.030 0.303 4 0 "[ . 1 . 2]"
3 2 DC 1.412 0.197 4 0 "[ . 1 . 2]"
3 3 DT 0.074 0.035 6 0 "[ . 1 . 2]"
3 4 DA 0.045 0.037 18 0 "[ . 1 . 2]"
3 5 DT 0.721 0.251 1 0 "[ . 1 . 2]"
3 6 DC 0.281 0.135 1 0 "[ . 1 . 2]"
3 7 DA 0.542 0.132 1 0 "[ . 1 . 2]"
3 8 DA 0.325 0.169 1 0 "[ . 1 . 2]"
3 9 DT 0.129 0.057 15 0 "[ . 1 . 2]"
3 10 DT 0.219 0.086 14 0 "[ . 1 . 2]"
3 11 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 12 DT 0.025 0.025 2 0 "[ . 1 . 2]"
3 13 DC 1.147 0.260 2 0 "[ . 1 . 2]"
3 14 DG 0.662 0.173 8 0 "[ . 1 . 2]"
3 15 DC 1.534 0.349 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 1 DG C1' 3 15 DC C1' 10.900 10.600 10.900 10.637 10.251 10.832 0.349 14 0 "[ . 1 . 2]" 5
2 2 2 DC C1' 3 14 DG C1' 10.900 10.600 10.900 10.623 10.427 10.833 0.173 8 0 "[ . 1 . 2]" 5
3 2 3 DG C1' 3 13 DC C1' 10.900 10.600 10.900 10.619 10.340 10.768 0.260 2 0 "[ . 1 . 2]" 5
4 2 4 DA C1' 3 12 DT C1' 10.650 10.350 10.650 10.529 10.325 10.621 0.025 2 0 "[ . 1 . 2]" 5
5 2 5 DT C1' 3 11 DA C1' 10.650 10.350 10.650 10.522 10.355 10.646 . 0 0 "[ . 1 . 2]" 5
6 2 6 DA C1' 3 10 DT C1' 10.650 10.350 10.650 10.550 10.323 10.736 0.086 14 0 "[ . 1 . 2]" 5
7 2 7 DA C1' 3 9 DT C1' 10.650 10.350 10.650 10.529 10.323 10.707 0.057 15 0 "[ . 1 . 2]" 5
8 2 8 DT C1' 3 8 DA C1' 10.650 10.350 10.650 10.560 10.323 10.819 0.169 1 0 "[ . 1 . 2]" 5
9 2 9 DT C1' 3 7 DA C1' 10.650 10.350 10.650 10.622 10.326 10.782 0.132 1 0 "[ . 1 . 2]" 5
10 2 10 DG C1' 3 6 DC C1' 10.900 10.600 10.900 10.685 10.511 11.035 0.135 1 0 "[ . 1 . 2]" 5
11 2 11 DA C1' 3 5 DT C1' 10.650 10.350 10.650 10.620 10.401 10.901 0.251 1 0 "[ . 1 . 2]" 5
12 2 12 DT C1' 3 4 DA C1' 10.650 10.350 10.650 10.488 10.342 10.687 0.037 18 0 "[ . 1 . 2]" 5
13 2 13 DA C1' 3 3 DT C1' 10.650 10.350 10.650 10.441 10.315 10.637 0.035 6 0 "[ . 1 . 2]" 5
14 2 14 DG C1' 3 2 DC C1' 10.900 10.600 10.900 10.540 10.403 10.665 0.197 4 0 "[ . 1 . 2]" 5
15 2 15 DG C1' 3 1 DC C1' 10.900 10.600 10.900 10.573 10.297 10.771 0.303 4 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 49.132
_Distance_constraint_stats_list.Viol_max 0.502
_Distance_constraint_stats_list.Viol_rms 0.0397
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0646
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 17 TYR 2.003 0.502 4 1 "[ +. 1 . 2]"
1 18 TYR 0.355 0.125 13 0 "[ . 1 . 2]"
1 26 TRP 0.355 0.125 13 0 "[ . 1 . 2]"
1 36 LEU 0.032 0.020 10 0 "[ . 1 . 2]"
1 37 LYS 0.036 0.031 7 0 "[ . 1 . 2]"
1 40 LEU 0.032 0.020 10 0 "[ . 1 . 2]"
1 41 LEU 0.036 0.031 7 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.030 0.018 10 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PHE 0.030 0.018 10 0 "[ . 1 . 2]"
1 51 VAL 2.003 0.502 4 1 "[ +. 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 TYR O 1 51 VAL H 2.000 . 2.200 2.139 1.850 2.508 0.308 9 0 "[ . 1 . 2]" 6
2 1 17 TYR O 1 51 VAL N 3.000 2.700 3.300 2.953 2.713 3.179 . 0 0 "[ . 1 . 2]" 6
3 1 17 TYR H 1 51 VAL O 2.000 . 2.200 1.957 1.745 2.702 0.502 4 1 "[ +. 1 . 2]" 6
4 1 17 TYR N 1 51 VAL O 3.000 2.700 3.300 2.896 2.684 3.512 0.212 4 0 "[ . 1 . 2]" 6
5 1 18 TYR O 1 26 TRP H 2.000 . 2.200 2.109 1.787 2.325 0.125 13 0 "[ . 1 . 2]" 6
6 1 18 TYR O 1 26 TRP N 3.000 2.700 3.300 2.974 2.712 3.131 . 0 0 "[ . 1 . 2]" 6
7 1 18 TYR H 1 26 TRP O 2.000 . 2.200 1.866 1.800 2.044 . 0 0 "[ . 1 . 2]" 6
8 1 18 TYR N 1 26 TRP O 3.000 2.700 3.300 2.786 2.703 2.861 . 0 0 "[ . 1 . 2]" 6
9 1 36 LEU O 1 40 LEU H 2.000 . 2.200 2.114 1.994 2.220 0.020 10 0 "[ . 1 . 2]" 6
10 1 36 LEU O 1 40 LEU N 3.000 2.700 3.300 2.971 2.863 3.119 . 0 0 "[ . 1 . 2]" 6
11 1 37 LYS O 1 41 LEU H 2.000 . 2.200 1.891 1.769 2.119 0.031 7 0 "[ . 1 . 2]" 6
12 1 37 LYS O 1 41 LEU N 3.000 2.700 3.300 2.845 2.726 3.063 . 0 0 "[ . 1 . 2]" 6
13 1 45 LYS O 1 48 ASP H 2.300 . 2.500 2.163 2.032 2.402 . 0 0 "[ . 1 . 2]" 6
14 1 45 LYS O 1 48 ASP N 3.300 2.600 3.500 3.022 2.894 3.263 . 0 0 "[ . 1 . 2]" 6
15 1 46 LYS O 1 49 PHE H 2.300 . 2.500 2.351 2.188 2.518 0.018 10 0 "[ . 1 . 2]" 6
16 1 46 LYS O 1 49 PHE N 3.300 2.600 3.500 3.201 3.111 3.298 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 439
_Distance_constraint_stats_list.Viol_total 716.696
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0566
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0249
_Distance_constraint_stats_list.Viol_average_violations_only 0.0816
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 1 DG 1.435 0.214 8 0 "[ . 1 . 2]"
2 2 DC 1.827 0.242 8 0 "[ . 1 . 2]"
2 3 DG 0.573 0.101 6 0 "[ . 1 . 2]"
2 4 DA 3.596 0.280 8 0 "[ . 1 . 2]"
2 5 DT 3.106 0.289 14 0 "[ . 1 . 2]"
2 6 DA 3.453 0.331 6 0 "[ . 1 . 2]"
2 7 DA 3.095 0.246 1 0 "[ . 1 . 2]"
2 8 DT 2.038 0.237 18 0 "[ . 1 . 2]"
2 9 DT 2.193 0.245 2 0 "[ . 1 . 2]"
2 10 DG 0.313 0.160 1 0 "[ . 1 . 2]"
2 11 DA 4.974 0.399 4 0 "[ . 1 . 2]"
2 12 DT 2.867 0.251 2 0 "[ . 1 . 2]"
2 13 DA 3.311 0.266 18 0 "[ . 1 . 2]"
2 14 DG 2.635 0.301 4 0 "[ . 1 . 2]"
2 15 DG 0.419 0.125 14 0 "[ . 1 . 2]"
3 1 DC 0.419 0.125 14 0 "[ . 1 . 2]"
3 2 DC 2.635 0.301 4 0 "[ . 1 . 2]"
3 3 DT 3.311 0.266 18 0 "[ . 1 . 2]"
3 4 DA 2.867 0.251 2 0 "[ . 1 . 2]"
3 5 DT 4.974 0.399 4 0 "[ . 1 . 2]"
3 6 DC 0.313 0.160 1 0 "[ . 1 . 2]"
3 7 DA 2.193 0.245 2 0 "[ . 1 . 2]"
3 8 DA 2.038 0.237 18 0 "[ . 1 . 2]"
3 9 DT 3.095 0.246 1 0 "[ . 1 . 2]"
3 10 DT 3.453 0.331 6 0 "[ . 1 . 2]"
3 11 DA 3.106 0.289 14 0 "[ . 1 . 2]"
3 12 DT 3.596 0.280 8 0 "[ . 1 . 2]"
3 13 DC 0.573 0.101 6 0 "[ . 1 . 2]"
3 14 DG 1.827 0.242 8 0 "[ . 1 . 2]"
3 15 DC 1.435 0.214 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 1 DG H22 3 15 DC O2 2.000 . 2.200 1.812 1.586 2.145 0.214 8 0 "[ . 1 . 2]" 7
2 2 1 DG N2 3 15 DC O2 3.000 2.700 3.300 2.798 2.588 3.036 0.112 6 0 "[ . 1 . 2]" 7
3 2 1 DG H1 3 15 DC N3 2.000 . 2.200 1.957 1.828 2.229 0.029 4 0 "[ . 1 . 2]" 7
4 2 1 DG N1 3 15 DC N3 3.000 2.700 3.300 2.935 2.822 3.042 . 0 0 "[ . 1 . 2]" 7
5 2 1 DG O6 3 15 DC H42 2.000 . 2.200 1.974 1.826 2.360 0.160 14 0 "[ . 1 . 2]" 7
6 2 1 DG O6 3 15 DC N4 3.000 2.700 3.300 2.945 2.826 3.211 . 0 0 "[ . 1 . 2]" 7
7 2 2 DC O2 3 14 DG H22 2.000 . 2.200 1.796 1.558 2.029 0.242 8 0 "[ . 1 . 2]" 7
8 2 2 DC O2 3 14 DG N2 3.000 2.700 3.300 2.791 2.556 3.028 0.144 8 0 "[ . 1 . 2]" 7
9 2 2 DC N3 3 14 DG H1 2.000 . 2.200 1.888 1.730 2.003 0.070 1 0 "[ . 1 . 2]" 7
10 2 2 DC N3 3 14 DG N1 3.000 2.700 3.300 2.872 2.715 2.982 . 0 0 "[ . 1 . 2]" 7
11 2 2 DC H42 3 14 DG O6 2.000 . 2.200 1.870 1.784 1.946 0.016 1 0 "[ . 1 . 2]" 7
12 2 2 DC N4 3 14 DG O6 3.000 2.700 3.300 2.848 2.751 2.939 . 0 0 "[ . 1 . 2]" 7
13 2 3 DG H22 3 13 DC O2 2.000 . 2.200 1.793 1.699 1.963 0.101 6 0 "[ . 1 . 2]" 7
14 2 3 DG N2 3 13 DC O2 3.000 2.700 3.300 2.774 2.666 2.935 0.034 6 0 "[ . 1 . 2]" 7
15 2 3 DG H1 3 13 DC N3 2.000 . 2.200 1.905 1.852 2.046 . 0 0 "[ . 1 . 2]" 7
16 2 3 DG N1 3 13 DC N3 3.000 2.700 3.300 2.876 2.818 2.942 . 0 0 "[ . 1 . 2]" 7
17 2 3 DG O6 3 13 DC H42 2.000 . 2.200 1.888 1.823 2.054 . 0 0 "[ . 1 . 2]" 7
18 2 3 DG O6 3 13 DC N4 3.000 2.700 3.300 2.854 2.812 2.947 . 0 0 "[ . 1 . 2]" 7
19 2 4 DA N1 3 12 DT H3 2.000 . 2.200 1.768 1.610 1.883 0.190 2 0 "[ . 1 . 2]" 7
20 2 4 DA N1 3 12 DT N3 3.000 2.700 3.300 2.729 2.583 2.858 0.117 2 0 "[ . 1 . 2]" 7
21 2 4 DA H62 3 12 DT O4 2.000 . 2.200 1.726 1.520 1.879 0.280 8 0 "[ . 1 . 2]" 7
22 2 4 DA N6 3 12 DT O4 3.000 2.700 3.300 2.727 2.527 2.883 0.173 8 0 "[ . 1 . 2]" 7
23 2 5 DT H3 3 11 DA N1 2.000 . 2.200 1.779 1.711 1.905 0.089 4 0 "[ . 1 . 2]" 7
24 2 5 DT N3 3 11 DA N1 3.000 2.700 3.300 2.740 2.657 2.839 0.043 4 0 "[ . 1 . 2]" 7
25 2 5 DT O4 3 11 DA H62 2.000 . 2.200 1.729 1.511 1.909 0.289 14 0 "[ . 1 . 2]" 7
26 2 5 DT O4 3 11 DA N6 3.000 2.700 3.300 2.716 2.517 2.885 0.183 14 0 "[ . 1 . 2]" 7
27 2 6 DA N1 3 10 DT H3 2.000 . 2.200 1.893 1.735 2.023 0.065 2 0 "[ . 1 . 2]" 7
28 2 6 DA N1 3 10 DT N3 3.000 2.700 3.300 2.805 2.674 2.944 0.026 2 0 "[ . 1 . 2]" 7
29 2 6 DA H62 3 10 DT O4 2.000 . 2.200 1.788 1.569 1.907 0.331 6 0 "[ . 1 . 2]" 7
30 2 6 DA N6 3 10 DT O4 3.000 2.800 3.300 2.794 2.575 2.915 0.225 6 0 "[ . 1 . 2]" 7
31 2 7 DA N1 3 9 DT H3 2.000 . 2.200 1.790 1.638 1.925 0.162 2 0 "[ . 1 . 2]" 7
32 2 7 DA N1 3 9 DT N3 3.000 2.700 3.300 2.715 2.601 2.791 0.099 8 0 "[ . 1 . 2]" 7
33 2 7 DA H62 3 9 DT O4 2.000 . 2.200 1.733 1.554 1.883 0.246 1 0 "[ . 1 . 2]" 7
34 2 7 DA N6 3 9 DT O4 3.000 2.700 3.300 2.715 2.552 2.859 0.148 1 0 "[ . 1 . 2]" 7
35 2 8 DT H3 3 8 DA N1 2.000 . 2.200 1.870 1.645 2.226 0.155 2 0 "[ . 1 . 2]" 7
36 2 8 DT N3 3 8 DA N1 3.000 2.700 3.300 2.814 2.615 2.968 0.085 2 0 "[ . 1 . 2]" 7
37 2 8 DT O4 3 8 DA H62 2.000 . 2.200 1.774 1.563 2.131 0.237 18 0 "[ . 1 . 2]" 7
38 2 8 DT O4 3 8 DA N6 3.000 2.700 3.300 2.736 2.559 2.962 0.141 18 0 "[ . 1 . 2]" 7
39 2 9 DT H3 3 7 DA N1 2.000 . 2.200 1.846 1.647 2.085 0.153 9 0 "[ . 1 . 2]" 7
40 2 9 DT N3 3 7 DA N1 3.000 2.700 3.300 2.806 2.621 2.981 0.079 9 0 "[ . 1 . 2]" 7
41 2 9 DT O4 3 7 DA H62 2.000 . 2.200 1.756 1.555 1.959 0.245 2 0 "[ . 1 . 2]" 7
42 2 9 DT O4 3 7 DA N6 3.000 2.700 3.300 2.730 2.560 2.880 0.140 2 0 "[ . 1 . 2]" 7
43 2 10 DG H22 3 6 DC O2 2.000 . 2.200 1.885 1.770 2.360 0.160 1 0 "[ . 1 . 2]" 7
44 2 10 DG N2 3 6 DC O2 3.000 2.700 3.300 2.879 2.776 3.349 0.049 1 0 "[ . 1 . 2]" 7
45 2 10 DG H1 3 6 DC N3 2.000 . 2.200 1.950 1.855 2.226 0.026 1 0 "[ . 1 . 2]" 7
46 2 10 DG N1 3 6 DC N3 3.000 2.700 3.300 2.930 2.825 3.196 . 0 0 "[ . 1 . 2]" 7
47 2 10 DG O6 3 6 DC H42 2.000 . 2.200 1.899 1.808 1.986 . 0 0 "[ . 1 . 2]" 7
48 2 10 DG O6 3 6 DC N4 3.000 2.700 3.300 2.867 2.746 2.936 . 0 0 "[ . 1 . 2]" 7
49 2 11 DA N1 3 5 DT H3 2.000 . 2.200 1.808 1.656 1.960 0.144 6 0 "[ . 1 . 2]" 7
50 2 11 DA N1 3 5 DT N3 3.000 2.700 3.300 2.779 2.638 2.901 0.062 6 0 "[ . 1 . 2]" 7
51 2 11 DA H62 3 5 DT O4 2.000 . 2.200 1.758 1.501 1.976 0.399 4 0 "[ . 1 . 2]" 7
52 2 11 DA N6 3 5 DT O4 3.000 2.800 3.300 2.756 2.508 2.968 0.292 4 0 "[ . 1 . 2]" 7
53 2 12 DT H3 3 4 DA N1 2.000 . 2.200 1.754 1.623 1.821 0.177 6 0 "[ . 1 . 2]" 7
54 2 12 DT N3 3 4 DA N1 3.000 2.700 3.300 2.723 2.600 2.788 0.100 6 0 "[ . 1 . 2]" 7
55 2 12 DT O4 3 4 DA H62 2.000 . 2.200 1.757 1.549 1.924 0.251 2 0 "[ . 1 . 2]" 7
56 2 12 DT O4 3 4 DA N6 3.000 2.700 3.300 2.743 2.547 2.908 0.153 2 0 "[ . 1 . 2]" 7
57 2 13 DA N1 3 3 DT H3 2.000 . 2.200 1.751 1.589 1.851 0.211 6 0 "[ . 1 . 2]" 7
58 2 13 DA N1 3 3 DT N3 3.000 2.700 3.300 2.696 2.566 2.790 0.134 6 0 "[ . 1 . 2]" 7
59 2 13 DA H62 3 3 DT O4 2.000 . 2.200 1.760 1.534 1.998 0.266 18 0 "[ . 1 . 2]" 7
60 2 13 DA N6 3 3 DT O4 3.000 2.700 3.300 2.758 2.537 2.968 0.163 18 0 "[ . 1 . 2]" 7
61 2 14 DG H22 3 2 DC O2 2.000 . 2.200 1.724 1.499 1.865 0.301 4 0 "[ . 1 . 2]" 7
62 2 14 DG N2 3 2 DC O2 3.000 2.700 3.300 2.715 2.500 2.839 0.200 4 0 "[ . 1 . 2]" 7
63 2 14 DG H1 3 2 DC N3 2.000 . 2.200 1.872 1.747 2.039 0.053 8 0 "[ . 1 . 2]" 7
64 2 14 DG N1 3 2 DC N3 3.000 2.700 3.300 2.846 2.738 2.997 . 0 0 "[ . 1 . 2]" 7
65 2 14 DG O6 3 2 DC H42 2.000 . 2.200 1.907 1.826 2.096 . 0 0 "[ . 1 . 2]" 7
66 2 14 DG O6 3 2 DC N4 3.000 2.700 3.300 2.865 2.785 3.043 . 0 0 "[ . 1 . 2]" 7
67 2 15 DG H22 3 1 DC O2 2.000 . 2.200 1.888 1.675 2.195 0.125 14 0 "[ . 1 . 2]" 7
68 2 15 DG N2 3 1 DC O2 3.000 2.700 3.300 2.878 2.679 3.168 0.021 14 0 "[ . 1 . 2]" 7
69 2 15 DG H1 3 1 DC N3 2.000 . 2.200 1.893 1.783 1.989 0.017 19 0 "[ . 1 . 2]" 7
70 2 15 DG N1 3 1 DC N3 3.000 2.700 3.300 2.862 2.756 2.994 . 0 0 "[ . 1 . 2]" 7
71 2 15 DG O6 3 1 DC H42 2.000 . 2.200 1.941 1.793 2.160 0.007 5 0 "[ . 1 . 2]" 7
72 2 15 DG O6 3 1 DC N4 3.000 2.700 3.300 2.910 2.790 3.098 . 0 0 "[ . 1 . 2]" 7
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