NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3666 8.1633 120.3366 56.7377 33.5589 175.9519 2 T 3.4112 8.6124 116.6952 63.0647 66.0191 169.2940 3 H 5.4669 7.9841 115.7850 54.1204 32.8225 171.9648 4 H 4.8590 9.0453 120.8759 54.9286 31.7759 172.8151 5 T 4.9291 8.2083 122.1858 61.5309 70.4525 173.8489 6 E 4.6259 8.3512 124.2070 55.0257 33.4739 173.6182 7 V 4.6241 8.4987 126.3029 61.3062 33.5843 174.7215 8 F 4.5528 9.6145 132.0541 57.0251 39.4707 174.5645 9 E 3.7586 9.6762 127.1339 57.7047 26.9729 175.8642 10 G 4.0494 8.4526 106.2931 45.1075 0.0000 174.5853 11 G 4.2002 8.5939 108.7568 45.0374 0.0000 173.0811 12 T 4.9248 8.4867 121.5593 62.6977 70.3578 173.6292 13 I 4.6072 9.1011 128.3273 60.0898 39.2091 174.4188 14 D 5.0006 9.5070 128.9029 52.8219 42.8966 175.5070 15 I 5.1180 8.3386 125.0793 58.6166 39.8231 174.5304 16 E 4.8366 8.8261 128.1496 54.7466 32.7023 175.2814 17 D 4.4283 9.3954 123.5065 55.3248 39.6792 172.9445 18 D 4.5094 8.4722 112.5635 54.6405 40.7270 173.1557 19 T 4.2845 7.8175 114.0770 63.3938 71.9285 169.3292 20 S 3.8404 8.8233 124.1803 58.5951 61.0473 170.7175 21 L 4.7326 7.9059 130.8251 54.1578 42.9590 175.4268 22 T 5.0441 8.6594 116.4159 59.9503 72.6366 172.9579 23 I 4.6376 8.4022 124.8046 60.1162 40.3099 175.3821 24 N 4.3836 10.1859 124.9498 54.2081 37.8778 174.9482 25 G 4.0085 8.2271 105.4845 44.8252 0.0000 174.2706 26 K 4.2999 8.0752 120.6674 55.4104 32.8671 175.9848 27 E 4.3367 8.8249 123.8917 56.7049 30.0502 176.5982 28 I 3.9202 8.5831 126.8635 59.6760 37.8261 175.8718 29 S 4.3397 8.7737 125.0825 57.3934 63.4617 173.8961 30 Y 4.5066 7.6253 123.5017 56.4730 38.7863 175.4129 31 V 4.4567 8.3002 120.6373 61.5671 33.4324 175.0330 32 H 4.7267 8.7807 124.3149 55.5460 29.7232 174.9619 33 D 5.0979 8.5199 119.3084 54.2131 41.1525 176.6105 34 A 4.3811 7.5947 121.8659 51.2526 19.7868 178.7986 35 V 3.7861 8.2646 116.3296 65.9851 31.8468 177.9416 36 K 4.1445 8.0641 118.4667 58.9844 32.1156 176.8889 37 N 4.8885 7.7831 114.2291 52.1262 41.9693 173.9990 38 K 4.5670 8.3551 127.5502 54.2812 31.8266 174.2297 39 W 4.8799 8.4393 133.5487 56.4762 34.5008 172.9260 40 S 4.7788 6.8707 118.8582 56.3343 64.9839 174.5394 41 S 4.3957 9.0659 117.9694 58.9393 63.0629 176.3204 42 R 4.0229 8.0880 124.6202 59.3368 29.9967 177.2986 43 Y 4.3355 8.0152 114.0060 59.2715 38.3880 175.4199 44 L 4.7845 7.6372 119.1060 51.9133 42.6572 172.5461 45 P 4.0668 0.0000 0.0000 63.1061 32.4010 177.2773 46 Y 3.4436 7.3439 118.0778 58.5182 36.0643 169.2775 47 T 4.4210 7.1666 108.5782 60.1036 70.5171 174.0236 48 Q 3.9224 8.2330 123.0099 54.1998 30.1065 174.5497 49 Y 4.8437 7.1370 119.7789 55.1878 41.1336 174.7982 50 D 4.5422 9.1430 119.1090 56.0523 41.9063 176.8760 51 S 4.8046 7.5688 112.1214 55.6539 68.2481 174.6897 52 L 3.8367 8.1472 122.5214 58.4599 41.8773 178.4288 53 L 3.8788 7.7489 119.8509 58.0653 42.0120 178.0944 54 D 4.2278 7.9972 117.5323 57.1497 41.1726 177.7008 55 L 3.6379 8.0152 120.8196 58.0977 41.5095 178.6982 56 A 3.7588 7.7454 120.4111 55.4145 18.2900 179.9229 57 R 3.0574 7.5196 115.6451 58.7707 29.9516 179.0993 58 A 3.9894 8.0379 121.1195 54.9781 18.2449 179.7784 59 I 3.6047 7.6248 118.2935 64.7142 36.9826 178.7407 60 I 3.7979 6.9514 118.2537 64.4377 36.9984 178.2626 61 R 4.2015 8.1890 118.7940 59.0548 30.0168 177.3379 62 D 4.7536 8.0731 116.7386 53.9199 41.5429 176.0809 63 T 4.6644 7.8143 110.3727 59.6297 70.6423 175.2031 64 V 4.5056 8.3129 120.4182 62.3063 31.5507 177.9262 65 E 3.8750 8.1540 118.2777 59.0150 29.4076 178.0913 66 F 4.5702 7.5712 113.3840 58.1024 39.6798 177.7564 67 S 4.4149 7.9736 116.6067 59.8372 62.7269 175.1591 68 G 4.1219 8.7004 106.0358 45.1385 0.0000 176.9878 69 V 3.7087 8.9351 123.5033 61.4765 30.3169 172.5471 70 K 4.1891 7.7553 118.9822 55.6620 33.8408 173.8901 71 E 4.4267 8.8432 125.1531 56.3125 31.3111 177.0635 72 G 4.0792 7.1841 106.0541 46.4105 0.0000 173.0272 73 S 4.1644 8.5659 117.5499 58.9850 63.9911 173.7276 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 8.16 4.37 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 2 T 8.61 3.41 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 3 H 7.98 5.47 0.00 3.31 3.44 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.05 4.86 0.00 3.24 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.21 4.93 4.20 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 1.21 0.00 0.00 6 E 8.35 4.63 0.00 1.81 1.67 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 0.00 2.35 2.34 0.00 7 V 8.50 4.62 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 0.84 0.00 0.00 0.94 0.00 0.00 8 F 9.61 4.55 0.00 3.01 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 9 E 9.68 3.76 0.00 1.95 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 1.47 1.79 0.00 10 G 8.45 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 0.00 0.00 0.00 0.00 11 G 8.59 4.20 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 0.00 0.00 0.00 12 T 8.49 4.92 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 1.21 0.00 0.00 13 I 9.10 4.61 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.86 0.00 0.00 14 D 9.51 5.00 0.00 2.58 2.59 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 0.00 0.00 0.00 0.00 15 I 8.34 5.12 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 2.07 0.99 0.00 0.00 16 E 8.83 4.84 0.00 2.08 1.76 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 2.18 2.26 0.00 17 D 9.40 4.43 0.00 2.83 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 18 D 8.47 4.51 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 19 T 7.82 4.28 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 1.26 0.00 0.00 20 S 8.82 3.84 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.91 4.73 0.00 1.76 1.30 0.74 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.66 5.04 4.21 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 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.40 4.64 1.31 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.37 0.78 0.00 0.00 24 N 10.19 4.38 0.00 2.94 3.07 0.00 0.00 7.59 7.79 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 25 G 8.23 4.01 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 0.00 0.00 0.00 26 K 8.08 4.30 0.00 2.24 1.89 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 27 E 8.82 4.34 0.00 1.90 1.90 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 2.31 2.36 0.00 28 I 8.58 3.92 1.59 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.34 0.55 0.00 0.00 29 S 8.77 4.34 0.00 3.85 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 30 Y 7.63 4.51 0.00 3.09 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 31 V 8.30 4.46 2.42 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 1.33 0.00 0.00 1.16 0.00 0.00 32 H 8.78 4.73 0.00 3.25 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.52 5.10 0.00 2.63 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 34 A 7.59 4.38 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 35 V 8.26 3.79 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 0.93 0.00 0.00 0.94 0.00 0.00 36 K 8.06 4.14 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.49 7.81 37 N 7.78 4.89 0.00 2.71 2.70 0.00 0.00 7.07 6.56 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 38 K 8.36 4.57 0.00 1.86 1.82 0.00 1.95 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 39 W 8.44 4.88 0.00 3.19 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 40 S 6.87 4.78 0.00 3.20 3.60 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 41 S 9.07 4.40 0.00 3.93 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 42 R 8.09 4.02 0.00 1.69 1.83 0.00 3.23 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 43 Y 8.02 4.34 0.00 3.01 3.08 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 0.00 0.00 0.00 44 L 7.64 4.78 0.00 1.80 1.85 0.94 1.15 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 45 P 0.00 4.07 0.00 2.41 2.04 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 46 Y 7.34 3.44 0.00 3.12 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 47 T 7.17 4.42 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 1.32 0.00 0.00 48 Q 8.23 3.92 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 49 Y 7.14 4.84 0.00 2.97 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 50 D 9.14 4.54 0.00 2.67 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 51 S 7.57 4.80 0.00 3.82 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 52 L 8.15 3.84 0.00 1.57 1.58 0.97 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.75 3.88 0.00 1.67 1.59 0.86 1.08 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 54 D 8.00 4.23 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.02 3.64 0.00 1.55 1.64 -0.25 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.75 3.76 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.52 3.06 0.00 1.43 0.72 0.00 2.95 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.35 0.00 58 A 8.04 3.99 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 59 I 7.62 3.60 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.60 0.00 0.00 60 I 6.95 3.80 2.06 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 1.27 0.41 1.21 0.00 0.00 61 R 8.19 4.20 0.00 2.27 2.31 0.00 3.42 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 62 D 8.07 4.75 0.00 2.87 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 63 T 7.81 4.66 4.64 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 0.00 0.00 0.00 1.36 0.00 0.00 64 V 8.31 4.51 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 0.66 0.00 0.00 0.95 0.00 0.00 65 E 8.15 3.88 0.00 1.62 1.58 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 2.22 2.37 0.00 66 F 7.57 4.57 0.00 3.08 3.06 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 0.00 0.00 0.00 0.00 67 S 7.97 4.41 0.00 4.05 3.93 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 68 G 8.70 4.12 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 0.00 0.00 0.00 69 V 8.94 3.71 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 0.88 0.00 0.00 0.93 0.00 0.00 70 K 7.76 4.19 0.00 1.70 1.66 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.39 7.81 71 E 8.84 4.43 0.00 2.10 2.04 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 2.20 2.28 0.00 72 G 7.18 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.57 4.16 0.00 3.81 3.70 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