NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2952 8.3049 120.3217 55.3848 33.2843 173.9364 2 M 2.9453 7.3886 118.5531 52.3228 32.7023 176.0546 3 I 3.2616 7.3950 115.3508 59.5318 39.2477 173.8576 4 P 4.2297 0.0000 0.0000 62.4107 31.4820 175.9027 5 I 3.7019 8.1901 124.0930 61.7286 38.4900 171.6467 6 R 4.2180 8.7727 133.7084 55.5958 29.7953 175.6330 7 C 4.0830 8.6148 123.2515 58.9516 32.2286 174.2618 8 F 4.5167 8.4469 125.6848 61.2824 38.5155 176.8349 9 T 4.1482 7.6756 116.2757 66.4404 68.9736 175.0234 10 C 4.2940 8.0011 115.6114 59.5877 42.2690 174.3542 11 G 3.7558 7.4654 106.5603 45.0061 0.0000 174.6026 12 S 4.3070 8.0307 114.5555 57.6655 63.7534 173.7825 13 L 4.4629 8.2175 121.6486 55.3792 42.1054 177.2301 14 I 4.4133 8.1863 118.5492 62.3236 40.6517 177.5956 15 A 4.0369 8.2468 123.0638 55.2118 18.2968 179.2239 16 D 4.4396 8.1669 113.6983 55.8820 39.6162 177.0794 17 K 4.5361 7.9283 118.3105 56.1679 32.5865 178.1672 18 W 4.3336 8.2448 131.6925 60.4949 30.4933 177.9385 19 Q 3.8310 8.4315 117.8632 58.6956 27.7801 177.4722 20 P 4.1102 0.0000 0.0000 65.6257 31.1728 178.1664 21 F 4.1393 7.6545 120.7435 61.1706 39.4350 177.3004 22 I 3.1769 6.9831 112.0370 63.8768 37.1132 178.2590 23 T 3.7416 7.1213 117.3128 66.1430 68.2280 176.4308 24 R 4.0781 7.4609 118.7391 57.7861 30.1031 179.0399 25 V 3.7310 6.7680 119.3261 65.2048 31.6344 177.5929 26 N 4.3679 7.8317 114.6106 55.5591 38.2974 177.1975 27 A 4.1446 7.4041 122.0376 54.2538 18.6727 178.8428 28 G 4.5751 7.5821 115.1712 46.6415 0.0000 172.8803 29 E 3.8105 7.6350 120.4708 56.0313 30.3588 175.5645 30 N 4.3719 8.6458 122.8612 52.9286 40.3760 174.2494 31 P 4.4722 0.0000 0.0000 65.8834 30.8106 178.8324 32 G 3.6460 8.4217 105.6594 47.8032 0.0000 175.6919 33 K 4.3047 7.9556 121.4612 57.6128 32.2765 179.5088 34 V 3.6432 7.6729 119.1268 66.0198 31.4879 178.0375 35 L 4.1376 8.0967 118.3953 57.4689 41.3304 178.8737 36 D 4.5592 7.6627 118.4557 56.5592 40.5977 177.9536 37 D 4.4179 7.8328 117.6610 55.6099 41.5080 176.4955 38 L 4.3831 7.3216 118.4176 53.6857 43.1764 177.2492 39 G 3.8308 8.3222 109.2345 45.2908 0.0000 174.7573 40 V 4.3006 7.2631 116.2511 60.8031 34.6188 173.9388 41 K 3.9219 9.0250 129.6900 58.1085 30.1209 180.3834 42 R 4.3268 8.9126 129.5096 56.1279 33.0365 175.2773 43 Y 4.2725 8.2625 117.5036 59.6770 38.1954 177.7108 44 C 4.0355 7.3129 116.7432 61.6530 29.7351 176.2917 45 C 4.3865 7.8885 117.0534 58.6961 34.5276 175.4781 46 R 3.8901 7.5717 121.0322 58.9985 29.8646 177.9503 47 R 3.8697 8.3361 119.0307 59.8902 29.7155 177.9295 48 M 3.8546 7.1628 115.8820 58.5673 32.1508 177.9616 49 L 4.1857 7.5432 118.0000 57.3256 42.0598 178.9093 50 L 4.3958 7.7501 116.1578 56.3105 41.6291 177.3562 51 S 4.7181 7.5238 110.5204 57.8039 63.7534 173.6923 52 H 4.6681 8.0778 120.9997 56.2959 30.3246 174.6251 53 I 4.1877 7.9518 124.5743 60.9667 39.8119 174.8842 54 D 4.1101 7.4902 118.0253 54.9583 38.4192 174.0219 55 I 3.7695 7.2085 113.1803 62.2255 39.1148 178.5404 56 I 3.6280 7.3756 122.6279 64.3504 37.8019 177.1323 57 S 4.4641 8.0320 111.2795 58.6210 62.5629 174.0905 58 E 4.6177 7.9555 118.6950 56.5044 31.0065 176.8075 59 V 4.2860 7.5618 117.1003 63.8027 32.8508 176.1979 60 I 3.7251 7.6654 119.8477 64.0730 38.2638 176.0610 61 H 4.6624 7.3733 116.2005 54.2982 27.5423 173.7957 62 Y 4.6243 7.1816 115.2323 59.0588 44.8251 178.7588 63 T 3.4177 8.8466 115.1094 64.0221 66.8386 171.8197 64 R 4.1951 8.9619 128.4367 57.1356 30.4707 173.5443 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 4.30 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 M 7.39 2.95 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 3 I 7.40 3.26 1.66 0.00 0.00 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 1.16 -0.36 0.45 0.00 0.00 4 P 0.00 4.23 0.00 2.30 2.29 0.00 3.46 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 5 I 8.19 3.70 1.87 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 0.82 0.91 0.00 0.00 6 R 8.77 4.22 0.00 2.06 2.08 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 7 C 8.61 4.08 0.00 2.84 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 8 F 8.45 4.52 0.00 3.03 2.94 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 9 T 7.68 4.15 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 1.16 0.00 0.00 10 C 8.00 4.29 0.00 3.03 3.13 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 0.00 0.00 0.00 11 G 7.47 3.76 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 0.00 0.00 0.00 12 S 8.03 4.31 0.00 4.00 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 13 L 8.22 4.46 0.00 1.64 1.65 0.92 0.77 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 14 I 8.19 4.41 1.79 0.00 0.00 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 1.46 1.53 0.83 0.00 0.00 15 A 8.25 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.17 4.44 0.00 2.83 2.85 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 17 K 7.93 4.54 0.00 1.81 1.87 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 18 W 8.24 4.33 0.00 3.36 3.38 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 19 Q 8.43 3.83 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 20 P 0.00 4.11 0.00 2.27 2.31 0.00 3.65 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 2.23 2.05 0.00 21 F 7.65 4.14 0.00 3.18 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 22 I 6.98 3.18 1.45 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 -0.18 0.53 0.00 0.00 23 T 7.12 3.74 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 1.12 0.00 0.00 24 R 7.46 4.08 0.00 1.73 1.99 0.00 3.09 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 25 V 6.77 3.73 1.63 0.00 0.00 0.00 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 0.38 0.00 0.00 26 N 7.83 4.37 0.00 2.68 2.78 0.00 0.00 7.05 6.64 0.00 0.00 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 A 7.40 4.14 1.31 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 0.00 0.00 28 G 7.58 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.63 3.81 0.00 1.96 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 2.37 2.32 0.00 30 N 8.65 4.37 0.00 2.79 2.69 0.00 0.00 6.84 7.71 0.00 0.00 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 P 0.00 4.47 0.00 2.50 2.39 0.00 3.76 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 2.13 2.08 0.00 32 G 8.42 3.65 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 0.00 0.00 0.00 33 K 7.96 4.30 0.00 1.82 1.87 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.36 7.81 34 V 7.67 3.64 2.34 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 1.11 0.00 0.00 0.96 0.00 0.00 35 L 8.10 4.14 0.00 1.81 1.70 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.66 4.56 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.83 4.42 0.00 2.71 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 38 L 7.32 4.38 0.00 1.82 1.61 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.32 3.83 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 0.00 0.00 0.00 40 V 7.26 4.30 2.23 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 0.80 0.00 0.00 0.86 0.00 0.00 41 K 9.03 3.92 0.00 1.76 1.41 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 42 R 8.91 4.33 0.00 1.68 1.64 0.00 3.00 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 43 Y 8.26 4.27 0.00 3.22 3.20 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 0.00 0.00 0.00 0.00 44 C 7.31 4.04 0.00 3.05 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 45 C 7.89 4.39 0.00 2.90 3.11 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 0.00 0.00 0.00 0.00 46 R 7.57 3.89 0.00 1.99 1.94 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 47 R 8.34 3.87 0.00 1.94 2.20 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 48 M 7.16 3.85 0.00 1.86 2.17 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 49 L 7.54 4.19 0.00 1.14 0.87 0.71 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.75 4.40 0.00 1.64 1.78 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.52 4.72 0.00 4.03 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 52 H 8.08 4.67 0.00 3.21 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.95 4.19 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.92 0.00 0.00 54 D 7.49 4.11 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.21 3.77 1.87 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 1.29 0.55 0.91 0.00 0.00 56 I 7.38 3.63 1.83 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 1.34 1.31 0.91 0.00 0.00 57 S 8.03 4.46 0.00 4.05 3.97 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 58 E 7.96 4.62 0.00 2.11 2.07 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 2.31 2.25 0.00 59 V 7.56 4.29 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 0.82 0.00 0.00 0.96 0.00 0.00 60 I 7.67 3.73 1.98 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 1.35 0.79 0.81 0.00 0.00 61 H 7.37 4.66 0.00 2.90 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.18 4.62 0.00 3.08 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 63 T 8.85 3.42 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 64 R 8.96 4.20 0.00 1.72 1.74 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00