NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4821 8.3049 118.1964 55.1199 32.2311 173.9548 2 Q 4.6857 7.6645 123.1231 54.5015 33.3259 173.3905 3 I 5.1612 8.4077 121.0299 59.7387 42.5602 173.9867 4 F 4.6519 8.7994 124.0902 56.6035 42.7518 173.3116 5 V 4.8472 7.7526 124.6116 60.9585 34.4794 174.5466 6 K 4.6572 9.2069 126.2783 55.0302 35.2150 175.7501 7 T 4.7497 8.4124 121.6077 62.3599 69.9465 175.7785 8 L 4.0622 8.2611 126.1518 58.3997 42.2606 178.4247 9 T 3.9610 8.0514 113.8108 64.3746 68.6514 174.2499 10 G 4.3509 8.1390 112.3019 45.4492 0.0000 174.9119 11 K 3.7758 7.8325 117.2690 57.0064 32.4313 176.5709 12 T 4.1444 8.4005 119.8573 63.0379 68.1109 174.6015 13 I 4.3180 8.0429 127.6410 59.6925 39.2767 175.0431 14 T 4.1947 8.1709 119.9934 59.9658 69.0163 173.2531 15 L 4.7869 7.8169 125.2151 53.7632 43.7518 175.1300 16 E 4.5839 8.5716 119.3194 54.3136 31.5615 175.1899 17 V 4.4637 8.0553 124.5332 61.1248 35.1053 174.3710 18 E 4.5178 8.9370 125.2152 54.3791 30.8945 175.9624 19 P 4.3084 0.0000 0.0000 65.9513 31.4319 178.2991 20 S 4.4433 7.9164 112.6588 59.6286 63.2677 173.9944 21 D 4.6592 7.9550 121.6291 53.8912 41.8285 175.3330 22 T 4.7997 7.9417 110.9254 59.8849 71.1881 175.8224 23 I 3.7087 8.4187 124.6680 64.3162 36.9627 178.3682 24 E 3.9359 8.1824 120.0691 59.3673 29.4136 178.3211 25 N 4.3961 8.0862 116.6541 56.4269 38.8909 177.0648 26 V 3.5584 7.7004 119.4587 65.8101 31.6390 177.8620 27 K 3.9094 8.4668 118.7382 60.1002 32.2363 178.7942 28 A 3.9294 7.7759 122.1125 54.4718 18.0112 179.3521 29 K 3.7968 7.7740 117.2217 59.9061 32.4388 178.8196 30 I 3.8700 7.4615 119.9434 64.4748 37.0734 178.4182 31 Q 3.9992 8.3256 119.1221 59.0646 26.9519 178.6547 32 D 4.3654 8.4495 120.3322 57.2917 40.6353 178.7875 33 K 4.1958 7.7714 119.1492 58.5576 32.2646 177.6585 34 E 4.5359 7.4466 116.0239 54.7770 30.3919 176.0523 35 G 3.9799 7.9624 107.0175 46.3777 0.0000 173.4502 36 I 4.5784 7.5303 111.0097 57.4623 40.7448 173.2559 37 P 4.5030 0.0000 0.0000 61.8041 32.1008 175.6727 38 P 4.5623 0.0000 0.0000 65.1281 31.6469 178.1590 39 D 4.3017 8.0281 118.4837 57.1558 40.7874 176.8778 40 Q 4.2046 7.8347 117.9045 56.7771 29.3099 174.7215 41 Q 5.0831 7.9191 114.5711 55.1802 32.0545 174.6471 42 R 4.8053 8.9401 115.1565 54.9224 33.4978 173.7729 43 L 5.4719 8.3859 118.6640 51.9480 45.7599 175.3171 44 I 5.0891 8.3161 121.6392 59.3489 41.7648 173.7625 45 F 5.0113 9.1831 129.9517 57.8099 42.6039 174.0336 46 A 3.4228 8.8480 129.0925 53.1648 15.8212 177.7549 47 G 3.8694 8.2213 105.2135 46.5490 0.0000 173.6737 48 K 4.6435 7.7555 120.6613 53.6795 34.9965 174.8627 49 Q 4.3264 8.4492 122.0445 55.9633 29.3424 175.3410 50 L 4.1074 8.7383 127.3909 54.2056 42.2401 175.9452 51 E 4.2659 8.6417 128.8741 55.5896 30.8297 175.9669 52 D 4.4821 8.6258 126.2212 54.8406 39.9236 176.8504 53 G 3.8830 8.8232 109.1351 45.5972 0.0000 173.4505 54 R 4.3281 7.2822 120.7070 55.6648 31.3916 174.8592 55 T 4.9209 7.8975 110.5219 59.4810 72.7024 175.1681 56 L 3.9784 8.1047 122.3598 57.9927 41.5393 179.8538 57 S 4.0841 7.6978 111.6829 61.4886 62.1271 175.7914 58 D 4.3479 8.1369 119.5596 57.2447 41.1399 176.6679 59 Y 4.2174 7.8683 116.6361 56.6681 39.1996 174.3608 60 N 4.2165 7.8864 114.6107 54.7378 36.7604 174.7793 61 I 3.7672 8.1413 119.0823 61.5885 37.6514 176.5795 62 Q 4.3854 8.4128 126.4719 54.2772 29.9494 174.9772 63 K 4.2490 8.2932 119.5746 57.3744 33.1269 176.3079 64 E 3.8801 8.5755 118.0650 56.9343 28.8709 174.1749 65 S 4.3914 7.5854 111.7733 58.3308 63.2608 173.6365 66 T 4.7303 8.7536 124.0291 63.5794 69.5533 173.8400 67 L 4.7218 8.6931 124.4510 53.2810 45.2425 175.1377 68 H 5.1571 8.5407 124.8131 54.6517 30.9929 173.1662 69 L 4.4508 8.6507 129.5239 54.1342 43.1254 175.3254 70 V 4.7256 8.3473 127.3057 61.0688 34.1086 174.5029 71 L 4.7353 8.2226 126.6252 55.2055 43.4968 174.0117 72 R 4.3443 8.2845 118.9028 54.0531 31.1969 174.9380 73 L 3.9033 8.4628 128.1640 54.8213 42.1348 176.3992 74 R 3.9449 8.7616 127.6500 56.3524 30.2769 175.8728 75 G 3.8128 8.5656 113.0075 45.1868 0.0000 172.4412 76 G 3.9174 8.9573 107.9491 45.8129 0.0000 173.9959 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 8.30 4.48 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 2 Q 7.66 4.69 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 3 I 8.41 5.16 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 0.93 0.00 0.00 4 F 8.80 4.65 0.00 3.10 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 5 V 7.75 4.85 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 0.81 0.00 0.00 0.84 0.00 0.00 6 K 9.21 4.66 0.00 1.77 1.77 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.73 7.81 7 T 8.41 4.75 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 8 L 8.26 4.06 0.00 1.60 1.67 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.05 3.96 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 1.21 0.00 0.00 10 G 8.14 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.78 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 12 T 8.40 4.14 4.28 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 1.34 0.00 0.00 13 I 8.04 4.32 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.85 0.00 0.00 14 T 8.17 4.19 4.05 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 0.00 0.00 0.00 1.15 0.00 0.00 15 L 7.82 4.79 0.00 1.65 1.50 0.85 0.46 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 16 E 8.57 4.58 0.00 1.88 1.82 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 2.16 2.24 0.00 17 V 8.06 4.46 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 18 E 8.94 4.52 0.00 2.15 1.84 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 2.28 2.38 0.00 19 P 0.00 4.31 0.00 2.22 2.31 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 20 S 7.92 4.44 0.00 3.88 3.95 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 21 D 7.95 4.66 0.00 2.85 2.56 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 0.00 0.00 0.00 0.00 22 T 7.94 4.80 4.33 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 1.21 0.00 0.00 23 I 8.42 3.71 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.86 0.00 0.00 24 E 8.18 3.94 0.00 2.01 1.94 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 2.37 2.36 0.00 25 N 8.09 4.40 0.00 2.83 2.90 0.00 0.00 6.84 7.02 0.00 0.00 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 7.70 3.56 2.17 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 0.98 0.00 0.00 0.97 0.00 0.00 27 K 8.47 3.91 0.00 1.99 2.03 0.00 1.24 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.79 7.81 28 A 7.78 3.93 1.39 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 29 K 7.77 3.80 0.00 1.86 1.99 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.51 7.81 30 I 7.46 3.87 1.84 0.00 0.00 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 1.69 0.85 0.88 0.00 0.00 31 Q 8.33 4.00 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 32 D 8.45 4.37 0.00 2.91 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 33 K 7.77 4.20 0.00 1.68 1.97 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 E 7.45 4.54 0.00 2.13 1.95 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 2.24 2.42 0.00 35 G 7.96 3.98 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 0.00 0.00 0.00 36 I 7.53 4.58 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.97 0.00 0.00 37 P 0.00 4.50 0.00 2.23 2.21 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 38 P 0.00 4.56 0.00 2.23 2.33 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 39 D 8.03 4.30 0.00 2.66 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.20 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 41 Q 7.92 5.08 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.43 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 42 R 8.94 4.81 0.00 1.81 2.01 0.00 2.87 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 43 L 8.39 5.47 0.00 1.55 1.54 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.32 5.09 1.91 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 1.25 1.59 0.99 0.00 0.00 45 F 9.18 5.01 0.00 2.99 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 46 A 8.85 3.42 0.79 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 0.00 0.00 47 G 8.22 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 7.76 4.64 0.00 1.82 1.81 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.40 7.81 49 Q 8.45 4.33 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 50 L 8.74 4.11 0.00 1.65 1.66 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.64 4.27 0.00 2.13 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 52 D 8.63 4.48 0.00 2.79 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 53 G 8.82 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.28 4.33 0.00 1.85 1.77 0.00 3.13 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 55 T 7.90 4.92 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 1.22 0.00 0.00 56 L 8.10 3.98 0.00 1.87 1.76 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.70 4.08 0.00 4.16 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 58 D 8.14 4.35 0.00 2.72 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 59 Y 7.87 4.22 0.00 3.03 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 60 N 7.89 4.22 0.00 2.76 2.87 0.00 0.00 6.93 7.38 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 61 I 8.14 3.77 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.80 0.00 0.00 62 Q 8.41 4.39 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 63 K 8.29 4.25 0.00 2.08 1.94 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.44 7.81 64 E 8.58 3.88 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 65 S 7.59 4.39 0.00 4.13 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.73 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 67 L 8.69 4.72 0.00 1.58 1.50 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.54 5.16 0.00 3.39 3.40 0.00 5.77 0.00 0.00 0.00 0.00 6.23 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 4.45 0.00 1.78 1.49 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.35 4.73 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.87 0.00 0.00 71 L 8.22 4.74 0.00 1.62 1.60 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.28 4.34 0.00 1.74 1.84 0.00 3.40 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 73 L 8.46 3.90 0.00 1.61 1.58 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.76 3.94 0.00 1.78 1.83 0.00 3.44 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 75 G 8.57 3.81 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 0.00 76 G 8.96 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 0.00 0.00 0.00