NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3520 8.2649 123.5827 52.1267 18.8455 174.6220 3 K 4.2972 7.6210 118.8396 55.7167 35.3280 173.2868 4 E 4.6715 8.6365 118.0397 54.8186 34.2503 174.6909 5 L 4.7839 8.4135 122.8451 52.9931 45.2028 176.2768 6 R 4.5633 8.3502 121.7699 54.5218 31.9129 177.0535 7 C 4.4479 8.4121 117.4636 57.0018 40.7952 174.4475 8 Q 3.8894 8.8138 120.6335 58.2437 28.5202 177.3227 9 C 4.9322 8.5541 115.0588 55.2819 41.9383 173.5719 10 I 3.8975 8.4431 126.0795 62.0856 37.5441 175.5571 11 K 4.6617 7.8015 118.9628 54.4652 34.9916 173.4716 12 T 4.9257 8.0286 109.8607 60.2100 71.8527 171.8774 13 Y 4.6574 8.5744 122.5566 56.3634 39.3889 175.5461 14 S 4.8360 8.1546 123.8270 57.7711 63.8577 174.7228 15 K 4.0342 7.5473 122.5922 54.9982 33.3184 173.4447 16 P 2.9700 0.0000 0.0000 62.0747 31.7937 176.2750 17 F 4.9406 7.2319 115.1003 55.8854 40.8983 172.6367 18 H 5.0006 9.2007 118.4269 54.0361 32.0963 173.7837 19 P 4.6466 0.0000 0.0000 64.6077 31.4922 178.1077 20 K 3.9601 8.5613 118.8778 59.1654 32.2175 177.1165 21 F 4.5401 8.3056 115.8911 57.9794 39.4741 175.1452 22 I 4.4952 8.1121 122.8615 60.1828 37.8177 175.5017 23 K 4.7515 8.4028 122.9965 56.3274 35.0410 176.2554 24 E 4.7099 7.8742 120.0237 54.1747 32.9807 173.9979 25 L 4.8891 8.5691 127.8152 53.5142 44.9981 175.6652 26 R 4.6469 8.9342 122.9543 54.7414 34.5405 174.0831 27 V 4.7430 8.5680 123.6531 61.0665 34.2795 174.4025 28 I 4.4996 8.4553 128.7221 59.4121 39.5209 175.2795 29 E 4.6302 9.1587 128.2645 54.3558 30.9831 175.9113 30 S 4.0960 8.2175 117.0885 59.3475 63.3054 174.1900 31 G 4.3871 8.9792 114.1239 42.7830 0.0000 171.1219 32 P 4.5187 0.0000 0.0000 64.2212 31.1027 176.2050 33 H 4.8634 8.2086 112.9846 55.4520 30.7141 174.3593 34 C 4.7244 7.9517 119.8671 54.8437 46.1635 173.4995 35 A 4.8371 8.5700 128.8172 52.1300 19.7443 176.3639 36 N 4.8838 7.6323 118.2914 54.2206 43.4366 173.2321 37 T 5.1477 8.5430 117.5411 62.9101 73.1695 173.0777 38 E 4.5594 8.9052 123.7303 54.8159 34.1576 174.7125 39 I 4.5009 8.4145 125.3156 60.1329 38.2554 175.2152 40 I 4.6510 8.9762 129.1861 60.5719 39.4449 175.3885 41 V 4.7446 8.1869 121.6071 60.5187 35.5524 173.5472 42 K 4.9828 8.9948 120.6659 54.6890 35.7122 175.6092 43 L 5.1762 8.9601 125.0944 52.6043 42.9889 177.9595 44 S 4.1797 9.0341 117.3740 61.6459 62.6676 175.4769 45 D 4.3757 8.0121 118.3009 54.5244 38.9866 176.6177 46 G 3.8203 8.6960 108.4308 46.1248 0.0000 173.2558 47 R 4.8409 7.9740 117.6443 53.8400 33.8579 174.9113 48 E 4.9726 8.4402 117.4855 54.9945 32.5071 174.5330 49 L 4.9591 8.4397 122.4766 53.0484 46.8485 174.1442 50 C 5.2553 8.5957 115.0949 55.6693 43.8877 173.8107 51 L 5.1564 8.5730 123.0174 53.1396 44.2702 175.8024 52 D 4.6852 8.2660 120.4784 51.9866 41.5582 175.2470 53 P 4.2175 0.0000 0.0000 63.9714 31.3282 177.3602 54 K 4.0694 7.8395 118.8069 57.5421 32.5530 176.2054 55 E 4.5509 7.9133 119.2492 55.0626 31.1450 176.8251 56 N 4.2836 8.6463 120.8142 56.0493 38.7504 177.7483 57 W 4.2581 8.0255 117.4321 59.1639 28.1601 178.4089 58 V 3.0108 6.2156 119.4645 65.5533 30.7574 177.6472 59 Q 3.9694 7.6128 118.9746 58.2668 28.7027 177.7702 60 R 3.9884 7.6039 119.5767 59.2708 30.4056 178.3672 61 V 3.6145 7.8883 112.0972 64.4191 31.5485 178.9198 62 V 3.7103 7.7732 117.9842 65.7858 31.3953 177.6619 63 E 3.9826 7.9472 118.9615 59.2695 29.4582 178.9724 64 K 3.9796 8.4765 118.9164 59.3365 32.1248 178.8741 65 F 4.2015 8.0849 120.9557 61.4713 39.2578 177.2654 66 L 3.7985 7.8958 117.9139 57.6958 41.6052 179.4910 67 K 3.9774 8.2026 119.3819 58.9144 32.0203 178.8806 68 R 3.8737 8.2349 119.4834 59.0967 29.9671 178.2176 69 A 3.8651 7.8064 119.3415 54.3802 18.2623 178.8276 70 E 4.0076 7.7577 117.5825 59.1865 29.9403 177.9620 71 N 4.4081 7.8036 115.4977 56.1494 39.0537 175.0744 72 S 4.3489 7.7794 118.5835 58.6207 62.6161 173.4247 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.35 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.62 4.30 0.00 1.76 1.74 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.59 7.81 4 E 8.64 4.67 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 5 L 8.41 4.78 0.00 1.59 1.56 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.35 4.56 0.00 1.81 1.85 0.00 3.38 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 7 C 8.41 4.45 0.00 2.95 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.81 3.89 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 9 C 8.55 4.93 0.00 3.22 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.44 3.90 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.92 0.00 0.00 11 K 7.80 4.66 0.00 1.70 1.72 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 12 T 8.03 4.93 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 13 Y 8.57 4.66 0.00 3.20 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.15 4.84 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.55 4.03 0.00 1.14 1.58 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.27 7.81 16 P 0.00 2.97 0.00 1.62 0.92 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.00 17 F 7.23 4.94 0.00 3.22 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 9.20 5.00 0.00 3.31 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.65 0.00 2.32 2.32 0.00 3.41 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 20 K 8.56 3.96 0.00 1.52 1.14 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.17 1.35 7.81 21 F 8.31 4.54 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.11 4.50 2.03 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.30 0.00 0.00 23 K 8.40 4.75 0.00 1.63 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 24 E 7.87 4.71 0.00 2.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 25 L 8.57 4.89 0.00 1.30 1.59 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.93 4.65 0.00 1.71 1.75 0.00 3.10 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 V 8.57 4.74 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 28 I 8.46 4.50 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.86 0.96 0.00 0.00 29 E 9.16 4.63 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 30 S 8.22 4.10 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.98 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.52 0.00 2.19 2.20 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 33 H 8.21 4.86 0.00 3.46 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.95 4.72 0.00 2.38 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.57 4.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.63 4.88 0.00 2.57 2.57 0.00 0.00 6.76 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.54 5.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 38 E 8.91 4.56 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 39 I 8.41 4.50 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.91 0.00 0.00 40 I 8.98 4.65 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.97 0.00 0.00 41 V 8.19 4.74 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.88 0.00 0.00 42 K 8.99 4.98 0.00 1.59 1.65 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.33 7.81 43 L 8.96 5.18 0.00 1.61 1.70 0.66 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.03 4.18 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.01 4.38 0.00 2.76 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.70 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.97 4.84 0.00 1.77 1.73 0.00 3.02 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 48 E 8.44 4.97 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 49 L 8.44 4.96 0.00 1.38 1.41 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.60 5.26 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.57 5.16 0.00 1.53 1.55 1.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.27 4.69 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.22 0.00 2.01 2.02 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 54 K 7.84 4.07 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 55 E 7.91 4.55 0.00 1.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 56 N 8.65 4.28 0.00 2.83 2.88 0.00 0.00 6.89 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.03 4.26 0.00 3.53 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 6.22 3.01 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 -0.77 0.00 0.00 59 Q 7.61 3.97 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 60 R 7.60 3.99 0.00 2.09 1.92 0.00 3.27 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 61 V 7.89 3.61 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 62 V 7.77 3.71 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 63 E 7.95 3.98 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 64 K 8.48 3.98 0.00 2.06 1.87 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 65 F 8.08 4.20 0.00 3.11 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.90 3.80 0.00 1.92 1.68 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.20 3.98 0.00 1.95 1.78 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 68 R 8.23 3.87 0.00 1.88 1.92 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 69 A 7.81 3.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.76 4.01 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 71 N 7.80 4.41 0.00 2.78 2.85 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.78 4.35 0.00 4.04 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00