NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6206 8.1476 118.3279 55.3721 33.5369 173.4257 2 Q 5.0097 8.2026 115.9253 52.6408 32.3892 172.6194 3 I 4.2322 9.4668 114.3294 59.2750 42.3438 175.4937 4 F 5.0795 8.8471 122.8066 55.9977 40.3537 174.8676 5 V 4.3879 8.9562 125.7653 61.4070 32.2855 174.7919 6 K 4.5448 9.0162 131.8311 56.2121 33.1286 176.7447 7 T 4.4649 8.7796 118.3577 61.4620 69.7607 175.3933 8 L 4.1927 8.0099 122.2322 57.6066 41.4221 179.1903 9 T 3.9124 8.0316 109.0031 63.8563 69.0157 175.4431 10 G 4.0441 7.9593 109.8529 44.8477 0.0000 173.0809 11 K 4.2428 8.4393 122.6116 55.3239 32.9426 176.2479 12 T 4.5813 8.4744 125.7829 63.2167 69.1114 174.4496 13 I 4.2371 8.8095 129.3348 60.0712 39.0596 174.8457 14 T 5.1265 8.5758 126.9258 63.1371 69.6445 174.2405 15 L 4.8558 9.0889 124.6175 54.3463 44.5954 174.4936 16 E 5.0504 8.6903 119.3954 55.2298 31.3354 176.0179 17 V 4.4604 8.5045 116.5673 59.7401 35.6014 173.7643 18 E 4.7092 8.2787 118.6447 54.4211 32.8541 175.2006 19 P 4.1809 0.0000 0.0000 65.3090 31.5365 177.9868 20 S 4.5848 7.8054 111.8090 58.0878 63.0384 173.6514 21 D 4.4633 8.0469 123.2897 54.1738 41.0913 176.3272 22 T 4.4270 8.3102 114.7600 61.3878 71.1272 175.4777 23 I 3.6551 8.7353 124.5909 64.6961 37.1838 178.2057 24 E 4.1409 8.1876 121.2718 58.8646 29.4294 178.6133 25 N 4.3413 7.7356 116.5312 56.3471 38.9275 177.0684 26 V 3.5237 8.0736 120.0420 66.0861 31.6333 178.0656 27 K 4.4069 8.7944 119.6471 58.9334 31.8282 179.1370 28 A 4.0094 7.9558 120.9540 55.0791 18.2888 179.8567 29 K 3.9763 8.0559 117.0948 59.5489 32.0891 179.7127 30 I 3.7282 7.9245 120.3522 64.3984 37.0278 178.1577 31 Q 4.3299 8.4005 122.1507 58.7180 28.5883 177.9808 32 D 4.3691 7.9538 118.2484 56.6475 41.2731 177.5794 33 K 4.2936 7.6523 117.4127 57.6463 32.7748 177.7236 34 E 4.5766 8.9066 117.4967 55.4826 31.1073 177.1077 35 G 3.9048 8.1161 105.5758 45.5958 0.0000 172.5544 36 I 4.4409 7.4949 119.9352 58.0941 39.3933 173.7778 37 P 4.5239 0.0000 0.0000 61.8758 32.1022 175.7118 38 P 4.2706 0.0000 0.0000 65.8647 31.4118 177.9962 39 D 4.4187 8.1097 116.8770 56.0110 41.3763 175.7448 40 Q 4.5746 7.9596 118.6156 56.2639 31.0979 175.3520 41 Q 4.4157 7.9126 117.7847 56.3830 30.5811 175.3488 42 R 4.3667 9.0702 122.8147 54.4348 32.1282 173.4040 43 L 4.8190 8.2704 128.2939 54.2819 43.7329 175.1937 44 I 5.0812 8.7195 125.9473 59.6583 41.5968 174.5522 45 F 4.8888 9.2190 126.9795 57.2967 42.5505 174.0354 46 A 3.5273 9.6622 127.9894 52.8320 15.9383 177.6984 47 G 3.8685 8.3722 107.4861 46.4004 0.0000 174.2349 48 K 4.1775 8.1158 122.6594 55.5253 32.5690 175.5433 49 Q 4.6071 8.5270 126.0320 55.8804 29.2661 175.9478 50 L 4.2700 8.5139 124.5098 53.5187 43.6736 175.6640 51 E 4.7845 8.8164 118.1629 54.4844 32.1290 176.7640 52 D 4.4292 9.0172 120.9187 57.7755 41.0292 178.5631 53 G 3.9879 8.0633 104.4704 45.7304 0.0000 172.5527 54 R 4.6443 7.9413 119.4393 54.1829 33.4829 174.3160 55 T 5.1524 7.6683 107.3026 59.5918 72.2453 174.9336 56 L 3.9995 8.3959 121.3257 58.1562 41.8778 180.3488 57 S 4.0942 8.5666 115.0433 61.4980 62.8867 176.2505 58 D 4.0844 7.6438 118.4808 56.4834 40.8995 176.2210 59 Y 4.6471 7.5286 113.6826 57.0130 38.4729 175.1007 60 N 4.2370 8.2817 115.7495 53.9774 36.8816 174.2412 61 I 3.6145 7.6265 119.5134 61.4512 37.4769 175.5494 62 Q 4.7817 8.0393 124.9353 53.7094 31.8712 175.0524 63 K 4.0620 8.5042 117.5493 57.7819 33.3233 175.6492 64 E 3.0901 7.9721 115.7179 57.5818 29.1115 174.2510 65 S 4.9702 6.9637 111.0895 57.7917 67.2419 173.5055 66 T 5.2368 8.6485 116.6289 61.9029 70.8604 173.3666 67 L 5.0314 9.0392 127.4411 53.5670 46.2219 174.2395 68 H 5.4664 9.1460 116.9569 53.8571 32.4840 172.7451 69 L 4.6382 8.6487 125.4160 54.4038 43.3492 175.6397 70 V 4.7826 8.5731 125.1550 61.0576 35.6406 173.6474 71 L 4.7978 8.2946 125.3861 53.7323 42.9528 176.5009 72 R 3.9178 9.0142 124.8508 56.8657 31.1163 177.5337 73 L 3.4744 7.6628 115.8059 56.2314 39.6256 175.7783 74 R 3.4556 7.3607 118.0895 57.7181 27.9527 177.4234 75 G 3.4428 7.8303 110.8608 47.7999 0.0000 172.8671 76 G 3.7345 7.5058 113.5010 46.2363 0.0000 173.1624 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 1 M 8.15 4.62 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 Q 8.20 5.01 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.77 0.00 0.00 0.00 0.00 0.00 2.09 2.50 0.00 3 I 9.47 4.23 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.19 0.71 0.00 0.00 4 F 8.85 5.08 0.00 2.95 2.92 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 5 V 8.96 4.39 2.12 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 1.02 0.00 0.00 0.94 0.00 0.00 6 K 9.02 4.54 0.00 1.90 1.71 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.42 7.81 7 T 8.78 4.46 4.26 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 1.34 0.00 0.00 8 L 8.01 4.19 0.00 1.38 1.78 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.03 3.91 4.25 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 1.21 0.00 0.00 10 G 7.96 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.44 4.24 0.00 1.82 1.73 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.57 7.81 12 T 8.47 4.58 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 1.30 0.00 0.00 13 I 8.81 4.24 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.83 1.07 0.00 0.00 14 T 8.58 5.13 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 L 9.09 4.86 0.00 1.62 1.70 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 5.05 0.00 1.85 1.88 0.00 0.00 0.00 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 2.31 0.00 17 V 8.50 4.46 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 0.72 0.00 0.00 0.84 0.00 0.00 18 E 8.28 4.71 0.00 1.95 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 2.24 2.42 0.00 19 P 0.00 4.18 0.00 2.18 2.05 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 20 S 7.81 4.58 0.00 3.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.46 0.00 2.97 2.57 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 0.00 0.00 0.00 22 T 8.31 4.43 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 23 I 8.74 3.66 2.21 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.88 0.92 0.00 0.00 24 E 8.19 4.14 0.00 2.18 1.96 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 2.31 2.20 0.00 25 N 7.74 4.34 0.00 2.74 2.79 0.00 0.00 7.17 8.09 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 26 V 8.07 3.52 2.21 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 0.98 0.00 0.00 0.95 0.00 0.00 27 K 8.79 4.41 0.00 1.97 1.88 0.00 1.83 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.47 7.81 28 A 7.96 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.06 3.98 0.00 2.00 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.64 7.81 30 I 7.92 3.73 2.19 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.92 0.00 0.00 31 Q 8.40 4.33 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 32 D 7.95 4.37 0.00 2.71 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 33 K 7.65 4.29 0.00 1.90 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.62 7.81 34 E 8.91 4.58 0.00 1.97 1.97 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 2.36 2.44 0.00 35 G 8.12 3.90 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 0.00 0.00 0.00 36 I 7.49 4.44 1.88 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 1.42 1.24 0.91 0.00 0.00 37 P 0.00 4.52 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 38 P 0.00 4.27 0.00 2.22 2.31 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 39 D 8.11 4.42 0.00 2.64 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.96 4.57 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 41 Q 7.91 4.42 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 42 R 9.07 4.37 0.00 1.85 1.81 0.00 3.18 0.00 0.00 3.12 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 43 L 8.27 4.82 0.00 1.80 1.47 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.72 5.08 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.87 0.92 0.00 0.00 45 F 9.22 4.89 0.00 2.94 2.77 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 0.00 0.00 0.00 0.00 46 A 9.66 3.53 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.12 4.18 0.00 1.81 1.89 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.30 7.81 49 Q 8.53 4.61 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 50 L 8.51 4.27 0.00 1.35 1.35 -0.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.82 4.78 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 52 D 9.02 4.43 0.00 2.82 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 53 G 8.06 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 0.00 0.00 0.00 54 R 7.94 4.64 0.00 2.25 1.70 0.00 3.25 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 55 T 7.67 5.15 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 1.24 0.00 0.00 56 L 8.40 4.00 0.00 1.87 1.76 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.57 4.09 0.00 3.86 3.86 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 58 D 7.64 4.08 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.53 4.65 0.00 3.04 2.99 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 60 N 8.28 4.24 0.00 2.93 2.95 0.00 0.00 7.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.63 3.61 1.62 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.56 0.00 0.00 62 Q 8.04 4.78 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.06 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 63 K 8.50 4.06 0.00 1.79 1.77 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 64 E 7.97 3.09 0.00 2.52 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 65 S 6.96 4.97 0.00 3.92 3.96 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 66 T 8.65 5.24 4.36 0.00 0.00 0.00 0.00 0.00 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 67 L 9.04 5.03 0.00 1.72 1.54 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.15 5.47 0.00 3.27 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.65 4.64 0.00 1.82 1.57 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.57 4.78 2.24 0.00 0.00 0.00 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 0.91 0.00 0.00 71 L 8.29 4.80 0.00 1.67 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.01 3.92 0.00 2.01 1.94 0.00 3.35 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 73 L 7.66 3.47 0.00 1.83 1.73 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.36 3.46 0.00 1.92 2.23 0.00 3.26 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 75 G 7.83 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.51 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00