NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6697 8.1633 120.2743 55.3456 33.9075 173.8068 2 R 5.0967 9.5028 123.7381 52.3778 33.5551 173.4659 3 I 4.8080 8.8386 116.9038 58.9859 41.5190 174.2363 4 V 4.1521 8.5635 124.9914 62.2304 32.9940 174.6809 5 V 4.7019 9.0767 128.2830 61.1604 33.8785 174.1071 6 K 4.9036 8.9448 128.9483 55.4217 33.8341 176.3820 7 T 5.0100 8.4620 114.4798 58.5522 71.7135 172.8038 8 L 3.8937 8.3512 119.7821 57.4210 41.9226 177.9641 9 M 3.1579 9.1764 120.1367 55.5234 29.3467 177.3866 10 G 3.9277 7.9175 105.9023 46.0603 0.0000 174.2982 11 R 4.3174 7.5416 118.4270 56.0099 31.5330 175.7671 12 T 5.1218 8.3975 118.0865 61.7452 71.7804 173.3165 13 I 4.6526 8.8398 119.5375 59.0973 41.0899 174.2245 14 I 4.8754 8.3036 124.2663 59.7383 39.1142 174.8521 15 L 4.7740 8.7298 126.4049 52.8827 44.7953 175.4312 16 E 4.7488 8.7702 123.0893 55.9459 30.2089 175.8503 17 V 4.6353 8.5185 117.7425 59.6286 36.1576 174.5486 18 E 4.7586 9.1156 119.6019 54.1533 32.4847 176.3328 19 P 4.2456 0.0000 0.0000 65.1753 31.5893 177.8828 20 S 4.5917 7.8281 110.2039 58.2409 63.9521 174.1506 21 D 4.6009 8.1988 123.3412 54.6285 41.2980 176.0095 22 T 4.7463 9.0956 113.8729 60.9558 71.4808 176.1145 23 I 3.6822 8.2130 123.0959 64.6210 37.1918 178.5577 24 E 3.9711 8.2244 118.8927 59.5953 29.3582 178.9797 25 N 4.3186 8.1245 116.2443 56.2667 38.6312 177.4297 26 V 3.5566 7.9565 119.7093 66.2091 31.5437 178.1940 27 K 4.3266 8.6977 119.4707 58.8700 31.7500 179.2058 28 A 3.9914 7.9550 120.7133 55.1522 18.2994 179.8999 29 K 4.2894 7.9876 118.3197 59.0518 32.0718 179.7250 30 I 3.7287 7.9379 120.3462 64.3364 36.9909 178.2148 31 Q 4.1574 8.2605 120.5771 59.0333 28.6694 177.9266 32 D 4.3185 8.3202 120.4071 57.4304 40.7329 178.6937 33 K 4.0231 7.8649 118.2329 58.1286 32.4420 177.3079 34 E 4.5988 8.5642 117.0191 54.6654 30.9706 176.4283 35 G 3.8567 7.8045 105.7125 46.4731 0.0000 173.0135 36 I 4.2793 7.5041 120.1504 58.5052 38.3706 174.0709 37 P 4.3570 0.0000 0.0000 62.1119 32.0157 175.6606 38 P 4.2975 0.0000 0.0000 65.6568 31.4032 178.0428 39 D 4.5290 8.0401 115.5595 55.0860 39.8638 176.6315 40 Q 4.3998 8.1201 118.6415 55.9292 29.3655 174.4052 41 Q 4.8410 7.8410 118.6616 54.4976 30.8635 174.6824 42 R 4.6961 9.1889 123.4101 54.4258 32.7875 174.9569 43 L 5.2398 8.5011 123.4150 53.0583 44.9300 175.4327 44 I 5.1448 8.8600 123.1118 59.6221 41.0994 174.2747 45 F 5.1029 8.9575 127.5830 56.7993 43.3693 174.0252 46 A 3.5245 8.5477 124.6380 52.8464 15.9761 178.1956 47 G 3.9301 8.3558 108.4994 46.5241 0.0000 174.4441 48 K 4.6044 7.9651 119.5075 54.3910 34.3622 175.3092 49 Q 4.6640 8.4032 121.1344 55.8532 29.3281 175.7498 50 L 4.1084 8.8202 124.8982 54.1980 43.0197 176.1695 51 E 4.7854 9.0423 122.2400 54.4658 32.2445 175.4931 52 D 4.3944 8.6020 123.1798 55.4940 41.5371 175.3038 53 G 4.2282 9.1212 113.6855 46.4339 0.0000 174.7197 54 R 4.1265 7.7387 117.4361 55.8501 31.0041 175.5137 55 T 5.0315 8.4312 109.4781 59.4018 71.7298 175.3078 56 L 3.9966 8.3365 121.9451 58.0898 41.8594 180.4720 57 S 4.0856 7.9357 112.4882 61.0667 63.2693 176.1122 58 D 4.2051 7.7148 120.2470 57.2215 40.4809 176.8218 59 Y 4.5411 7.6685 113.0003 57.1528 38.2708 174.5423 60 N 4.0416 7.5454 116.9112 54.6157 37.6936 174.1332 61 I 3.7220 7.6344 118.0462 59.9903 38.1690 175.6792 62 H 4.8713 8.2296 123.4386 53.3842 31.2581 173.2435 63 N 4.4007 8.5073 118.4780 55.9487 38.8635 174.3274 64 H 4.2777 9.6068 121.4826 56.6102 27.0981 175.2287 65 S 4.5336 7.7783 115.7355 58.6376 63.9928 172.8962 66 A 4.9944 8.6374 124.3572 50.5334 20.4382 176.3576 67 L 5.0022 8.9179 122.6880 53.2017 45.2879 175.0282 68 Y 5.0855 9.1519 119.3597 56.2530 40.7080 174.5996 69 L 5.0888 9.4203 125.9291 53.6082 44.5854 175.2721 70 L 4.8540 8.9123 126.1569 53.0347 45.3069 175.3468 71 L 5.2657 8.1680 119.1301 52.7711 44.4435 176.9997 72 K 4.2525 8.4661 121.9038 55.9678 32.7278 177.4009 73 L 4.1541 8.4538 123.6984 55.3625 42.3298 177.5834 74 R 4.1961 8.2099 119.7704 56.7091 31.1362 175.0193 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 4.67 0.00 1.96 2.17 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 2.57 2.50 0.00 2 R 9.50 5.10 0.00 1.78 1.82 0.00 3.11 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 3 I 8.84 4.81 1.83 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 1.08 0.75 0.89 0.00 0.00 4 V 8.56 4.15 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 0.78 0.00 0.00 0.91 0.00 0.00 5 V 9.08 4.70 2.05 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 0.99 0.00 0.00 0.89 0.00 0.00 6 K 8.94 4.90 0.00 1.23 1.72 0.00 1.20 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.18 7.81 7 T 8.46 5.01 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 8 L 8.35 3.89 0.00 1.78 1.66 0.94 0.91 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 9 M 9.18 3.16 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 10 G 7.92 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 0.00 0.00 0.00 11 R 7.54 4.32 0.00 1.78 1.85 0.00 3.07 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 12 T 8.40 5.12 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 1.18 0.00 0.00 13 I 8.84 4.65 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 1.22 0.95 0.95 0.00 0.00 14 I 8.30 4.88 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 1.32 0.61 0.91 0.00 0.00 15 L 8.73 4.77 0.00 1.53 1.51 0.90 1.02 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 8.77 4.75 0.00 1.84 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 2.28 2.33 0.00 17 V 8.52 4.64 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 0.67 0.00 0.00 0.90 0.00 0.00 18 E 9.12 4.76 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 2.19 2.38 0.00 19 P 0.00 4.25 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.83 4.59 0.00 3.96 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 8.20 4.60 0.00 2.83 2.62 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 22 T 9.10 4.75 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 1.25 0.00 0.00 23 I 8.21 3.68 2.11 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.55 0.99 0.00 0.00 24 E 8.22 3.97 0.00 2.02 2.01 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 2.42 2.53 0.00 25 N 8.12 4.32 0.00 2.93 2.86 0.00 0.00 6.70 6.96 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 26 V 7.96 3.56 2.26 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 1.01 0.00 0.00 0.95 0.00 0.00 27 K 8.70 4.33 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.52 7.81 28 A 7.96 3.99 1.37 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 0.00 0.00 0.00 29 K 7.99 4.29 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.59 7.81 30 I 7.94 3.73 2.14 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 1.40 0.63 0.91 0.00 0.00 31 Q 8.26 4.16 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 32 D 8.32 4.32 0.00 2.88 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 7.86 4.02 0.00 1.89 1.82 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 34 E 8.56 4.60 0.00 1.95 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 2.21 2.32 0.00 35 G 7.80 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 0.00 0.00 0.00 36 I 7.50 4.28 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 0.81 0.92 0.00 0.00 37 P 0.00 4.36 0.00 2.27 1.98 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.30 0.00 2.18 2.11 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.04 4.53 0.00 2.79 2.80 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 40 Q 8.12 4.40 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 7.84 4.84 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 42 R 9.19 4.70 0.00 1.70 1.83 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 43 L 8.50 5.24 0.00 1.56 1.53 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.86 5.14 2.00 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 1.17 0.73 0.92 0.00 0.00 45 F 8.96 5.10 0.00 3.03 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 46 A 8.55 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.36 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 0.00 0.00 0.00 48 K 7.97 4.60 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.38 7.81 49 Q 8.40 4.66 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 50 L 8.82 4.11 0.00 1.36 1.36 0.72 -0.14 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 51 E 9.04 4.79 0.00 2.10 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 2.31 2.37 0.00 52 D 8.60 4.39 0.00 2.69 2.81 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 53 G 9.12 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 0.00 0.00 0.00 0.00 54 R 7.74 4.13 0.00 2.12 1.56 0.00 3.24 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 55 T 8.43 5.03 4.31 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 1.25 0.00 0.00 56 L 8.34 4.00 0.00 1.83 1.69 0.86 1.12 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 57 S 7.94 4.09 0.00 3.96 4.09 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 0.00 0.00 0.00 0.00 58 D 7.71 4.21 0.00 2.71 2.35 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 59 Y 7.67 4.54 0.00 2.88 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 60 N 7.55 4.04 0.00 2.90 3.05 0.00 0.00 7.06 9.24 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 61 I 7.63 3.72 1.71 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 0.63 0.00 0.00 62 H 8.23 4.87 0.00 3.26 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.51 4.40 0.00 2.60 2.65 0.00 0.00 6.94 7.89 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 64 H 9.61 4.28 0.00 3.32 3.40 0.00 5.73 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.78 4.53 0.00 3.85 3.78 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 66 A 8.64 4.99 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.92 5.00 0.00 1.53 1.54 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.15 5.09 0.00 2.85 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 69 L 9.42 5.09 0.00 1.70 1.53 1.00 0.66 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 70 L 8.91 4.85 0.00 1.59 1.55 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.17 5.27 0.00 1.50 1.55 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.47 4.25 0.00 1.67 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.43 7.81 73 L 8.45 4.15 0.00 1.63 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.21 4.20 0.00 1.74 1.75 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00