NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6279 8.3644 120.5275 53.5553 42.8708 174.4785 3 K 4.4644 7.5890 118.9371 55.5041 35.1331 174.9701 4 C 5.0997 8.4170 119.0691 56.9729 44.4288 172.7014 5 K 5.1833 8.0807 118.1939 55.5061 35.0979 175.2988 6 K 4.5992 9.1319 125.0211 54.5149 34.0443 176.4243 7 V 3.9736 8.4479 119.1937 61.1631 32.0145 176.9588 8 Y 4.0902 9.3314 128.8623 59.8330 35.4557 177.7346 9 E 3.9474 7.8059 123.0148 55.1020 33.2628 179.2259 10 N 4.6092 8.4045 129.6628 53.6086 37.9824 176.7851 11 Y 3.4569 8.8252 119.7551 56.8727 37.3805 165.2610 12 P 4.1830 0.0000 0.0000 62.6767 32.1133 176.4407 13 V 3.5377 9.3048 123.9443 67.0794 30.8314 181.9017 14 S 3.1247 7.0836 108.5968 59.3879 67.0533 173.8369 15 K 3.7291 8.0120 129.4218 54.9013 32.2112 178.2606 16 C 4.3095 8.3627 110.9184 58.5360 37.3244 172.4666 17 Q 4.1691 7.6257 120.8285 55.8263 32.3463 174.3733 18 L 4.2241 7.3846 114.4665 53.8073 45.8006 174.2896 19 A 4.1569 8.1632 120.2123 53.3754 18.0907 175.1094 20 N 4.3454 8.3159 113.4023 53.8049 38.9563 178.0824 21 Q 3.3650 8.1677 108.3422 59.3141 30.3398 180.5029 22 C 3.9797 9.0100 119.5397 61.2511 39.6062 174.0418 23 N 4.1805 8.3124 117.2470 57.1625 38.0056 175.4991 24 Y 4.2937 8.7431 122.8181 61.2241 39.2343 178.1617 25 D 3.8567 7.5555 119.1433 57.7069 40.9626 178.4655 26 C 4.3134 8.6186 116.7992 59.9717 39.9953 176.0703 27 K 4.3994 7.9464 116.2577 57.1513 31.2460 175.2142 28 L 4.5824 7.8627 122.2154 56.5469 49.4377 176.5165 29 D 4.2499 9.6974 116.6952 56.4811 40.7921 177.0788 30 K 4.3996 7.4172 117.7865 57.5420 33.6261 175.9887 31 H 4.0216 7.9921 112.4804 56.7596 26.2591 174.6865 32 A 3.5917 7.4583 124.0071 50.9790 20.4880 177.5088 33 R 4.2729 8.3013 117.9706 58.6284 31.1572 176.1285 34 S 4.4955 6.5142 111.0347 59.9900 66.4957 174.2089 35 G 4.4725 7.8967 109.3048 47.0432 0.0000 170.9317 36 E 4.7192 7.9007 120.3001 55.7612 34.1090 174.0375 37 C 4.9307 9.2726 121.6089 56.2543 41.7183 173.5968 38 F 5.2186 9.0206 121.5001 56.4487 43.9473 172.6603 39 Y 5.8830 9.1557 117.1424 55.8087 41.5442 172.4506 40 D 5.0096 8.3697 117.6398 51.1352 42.4490 176.7803 41 E 4.3389 8.3887 119.8807 55.7482 28.2717 177.4422 42 K 4.3393 7.4781 115.2907 55.1161 36.0219 176.4321 43 R 3.8645 8.7461 116.7626 56.1599 27.7850 176.4511 44 N 4.9684 7.7046 115.3881 51.9398 42.7652 175.1501 45 L 4.8943 8.6156 124.3289 54.2045 42.9558 176.3496 46 Q 4.5050 8.9853 123.2684 54.5864 33.5929 173.3677 47 C 4.4839 8.4443 121.2673 56.7037 41.6437 172.3507 48 I 4.5538 8.8928 126.6886 60.5092 38.4984 174.5473 49 C 5.0048 9.0148 125.6422 55.7216 38.9674 172.3376 50 D 5.0692 8.8431 124.9557 53.8256 41.7516 176.2911 51 Y 4.4532 9.2281 122.9716 59.0835 39.8549 175.7393 52 C 4.7572 8.0526 114.5977 55.0105 42.3019 173.5221 53 E 4.4034 8.3970 124.7495 55.7448 30.7208 175.0654 54 Y 4.1107 7.4873 121.1158 58.8159 38.0725 170.7832 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 D 8.36 4.63 0.00 2.67 2.76 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 7.59 4.46 0.00 1.74 1.60 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.61 7.81 4 C 8.42 5.10 0.00 2.87 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 5 K 8.08 5.18 0.00 1.84 1.99 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.67 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 6 K 9.13 4.60 0.00 2.01 1.84 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.45 7.81 7 V 8.45 3.97 2.14 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 0.77 0.00 0.00 1.00 0.00 0.00 8 Y 9.33 4.09 0.00 3.02 2.79 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 0.00 0.00 0.00 9 E 7.81 3.95 0.00 2.16 1.57 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 2.25 2.35 0.00 10 N 8.40 4.61 0.00 2.73 1.98 0.00 0.00 7.11 7.56 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 11 Y 8.83 3.46 0.00 3.29 3.26 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 12 P 0.00 4.18 0.00 1.96 1.98 0.00 3.34 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 13 V 9.30 3.54 2.11 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 0.97 0.00 0.00 1.02 0.00 0.00 14 S 7.08 3.12 0.00 4.09 4.19 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 8.01 3.73 0.00 1.76 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.66 1.45 7.81 16 C 8.36 4.31 0.00 3.16 3.17 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 17 Q 7.63 4.17 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.55 0.00 18 L 7.38 4.22 0.00 1.53 1.51 0.90 0.74 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 19 A 8.16 4.16 1.23 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 0.00 0.00 0.00 20 N 8.32 4.35 0.00 3.02 2.78 0.00 0.00 6.99 7.21 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 21 Q 8.17 3.36 0.00 2.19 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 22 C 9.01 3.98 0.00 2.87 2.90 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 23 N 8.31 4.18 0.00 2.81 2.77 0.00 0.00 6.81 7.59 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 24 Y 8.74 4.29 0.00 2.84 3.25 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 25 D 7.56 3.86 0.00 2.72 2.65 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 26 C 8.62 4.31 0.00 3.09 3.12 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 27 K 7.95 4.40 0.00 1.98 2.02 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.46 7.81 28 L 7.86 4.58 0.00 1.77 1.61 1.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 29 D 9.70 4.25 0.00 2.84 2.83 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 0.00 0.00 0.00 30 K 7.42 4.40 0.00 1.49 1.66 0.00 1.67 0.00 0.00 1.30 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.14 1.11 7.81 31 H 7.99 4.02 0.00 3.29 3.48 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.46 3.59 0.80 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 0.00 0.00 0.00 0.00 0.00 33 R 8.30 4.27 0.00 1.82 1.99 0.00 3.37 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 34 S 6.51 4.50 0.00 3.91 3.94 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 G 7.90 4.47 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 36 E 7.90 4.72 0.00 1.89 1.12 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 1.92 2.10 0.00 37 C 9.27 4.93 0.00 2.46 2.75 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 38 F 9.02 5.22 0.00 2.97 2.86 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 0.00 0.00 0.00 39 Y 9.16 5.88 0.00 2.95 2.98 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 40 D 8.37 5.01 0.00 2.76 2.82 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 41 E 8.39 4.34 0.00 1.88 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 0.00 2.21 2.23 0.00 42 K 7.48 4.34 0.00 1.91 1.75 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.33 7.81 43 R 8.75 3.86 0.00 1.87 2.22 0.00 3.28 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 44 N 7.70 4.97 0.00 2.78 2.75 0.00 0.00 7.02 6.77 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 L 8.62 4.89 0.00 1.50 1.50 0.74 0.48 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 46 Q 8.99 4.50 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 47 C 8.44 4.48 0.00 1.90 2.46 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 48 I 8.89 4.55 2.25 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 1.03 0.00 0.00 49 C 9.01 5.00 0.00 3.09 2.91 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 50 D 8.84 5.07 0.00 2.77 2.54 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 Y 9.23 4.45 0.00 3.05 2.97 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 52 C 8.05 4.76 0.00 2.92 2.95 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 E 8.40 4.40 0.00 2.09 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 2.23 2.36 0.00 54 Y 7.49 4.11 0.00 3.22 2.86 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 0.00 0.00 0.00