NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4352 8.3049 120.3263 55.1423 33.4158 174.3272 2 E 4.4063 8.6290 121.7243 53.7944 31.3462 173.8027 3 S 4.7525 9.3091 119.6059 56.6788 65.6742 171.0904 4 R 4.0756 8.5304 124.2529 53.7448 31.0349 174.4368 5 L 3.8085 8.6962 125.2622 54.8274 42.2833 174.3765 6 L 4.5784 8.4023 119.6133 54.5654 42.2749 176.5646 7 D 4.6539 7.9683 120.0923 53.0469 40.2310 175.2831 8 I 4.1587 8.2037 118.9966 61.4061 39.1225 176.4430 9 L 4.6770 7.7009 121.5026 52.5019 43.9350 175.8439 10 V 4.5707 8.0760 116.4747 58.9091 34.6029 175.2582 11 C 4.2681 9.1098 123.2355 59.2973 31.6165 173.1001 12 P 4.4071 0.0000 0.0000 64.5701 31.4351 176.7323 13 V 4.1150 7.8734 117.0341 64.6507 33.0311 175.9027 14 C 4.2873 7.9916 117.5968 58.8182 31.9645 174.1050 15 K 3.9507 8.1780 116.7911 57.5086 30.0569 175.2883 16 G 4.0018 7.4081 105.6069 45.2958 0.0000 173.9713 17 R 4.4344 8.4919 123.5446 56.1138 30.7586 176.2476 18 L 4.4726 8.2741 126.2594 54.7139 43.0222 176.3565 19 E 4.5122 9.0911 123.9005 54.4305 31.4869 174.9596 20 F 5.0502 8.9441 130.9162 58.0734 39.6936 174.5877 21 Q 4.3568 8.7974 125.8741 53.8292 31.8867 176.3383 22 R 4.2423 7.8899 116.6225 56.0419 30.6823 177.6981 23 A 4.0757 7.5529 121.3149 54.1207 18.7449 179.3980 24 Q 4.3888 8.8525 111.7806 54.8041 29.7660 175.8277 25 A 3.7255 7.8945 122.6893 52.5364 15.2448 176.2124 26 E 5.1848 8.1892 118.9846 53.8751 33.9933 176.5888 27 L 4.9678 9.2172 123.0999 53.4186 42.5816 175.4356 28 V 4.0372 8.9541 125.7117 62.7276 33.0180 174.9973 29 C 4.5550 9.1122 126.8935 58.4428 28.0311 174.2332 30 N 4.8022 8.2233 128.4241 52.0031 37.8995 173.5918 31 A 4.6115 7.4557 122.3731 53.2554 26.2032 177.4788 32 D 4.5618 8.1331 112.8341 53.9301 41.6959 176.5739 33 R 3.7851 7.7499 117.5802 57.3253 28.1834 175.7073 34 L 4.9614 7.4487 115.9985 53.3807 45.4892 175.9133 35 A 4.6325 8.2524 121.5538 51.1463 22.3223 175.7066 36 F 4.9126 8.8709 123.2299 56.9411 40.3910 173.6150 37 P 4.8422 0.0000 0.0000 62.5398 32.9215 175.5854 38 V 4.3978 9.1251 125.2604 61.5191 31.4468 176.1844 39 R 4.1711 8.9917 132.2533 56.2502 28.3871 175.2501 40 D 4.2219 9.1864 117.3218 53.4753 39.4305 170.7820 41 G 4.1579 8.6832 110.2215 44.7454 0.0000 171.3889 42 V 4.0531 7.4420 121.6325 60.1332 31.5483 172.6353 43 P 4.8641 0.0000 0.0000 62.1488 32.0735 176.2723 44 I 4.0935 8.8430 125.0666 60.7366 36.0303 175.2239 45 M 3.3514 8.2258 124.8957 54.8253 32.1975 176.2450 46 L 4.6073 7.4570 120.9152 52.8105 43.0163 177.3906 47 E 4.1825 9.1147 122.6877 59.3701 29.7721 179.2292 48 A 4.0573 8.1257 121.1038 54.1416 18.5920 177.6144 49 E 4.4841 8.0658 112.3635 56.1570 30.0157 175.8675 50 A 4.7245 7.4606 123.1299 50.7592 21.5044 176.5984 51 R 4.7595 8.1129 112.0376 54.7557 32.7099 175.0490 52 S 5.0464 8.2830 114.3051 56.7600 65.1509 173.4685 53 L 4.3786 8.6939 120.4130 55.1009 41.4402 177.4537 54 D 4.4727 8.2374 117.5707 54.3116 42.6670 175.5679 55 A 4.4824 7.5881 121.0960 50.0743 20.1885 175.2507 56 E 4.5012 8.5685 121.0529 56.4014 30.7071 176.5057 57 A 4.4237 8.1419 122.9784 50.1064 19.1881 175.3765 58 P 4.2842 0.0000 0.0000 62.6694 31.4402 176.5710 59 A 4.4237 8.4141 126.2471 50.4001 20.1239 175.2793 60 Q 4.2527 8.2942 120.1489 54.0737 30.4923 173.9368 61 P 4.1183 0.0000 0.0000 62.9149 30.4474 177.2425 62 S 3.4438 8.3918 112.4242 59.7821 59.2601 171.7052 63 L 4.3505 7.9019 124.8688 53.4609 40.2715 175.7615 64 E 4.6880 7.9559 121.6623 55.0630 32.6126 175.1476 65 H 4.6053 8.5832 125.4431 55.2995 28.4716 172.4571 66 H 4.6964 8.0818 122.5059 54.0245 31.2120 174.2998 67 H 4.1903 8.4494 126.8607 56.3720 30.3755 173.8602 68 H 4.8407 7.4372 121.1348 55.2371 31.4721 171.0907 69 H 4.6059 9.9536 122.0091 57.1040 29.1597 174.7064 70 H 4.3494 7.7119 120.8075 56.4550 29.7746 172.4962 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 4.44 0.00 2.02 2.07 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 2.50 2.57 0.00 2 E 8.63 4.41 0.00 2.01 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 2.22 2.30 0.00 3 S 9.31 4.75 0.00 3.81 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 4 R 8.53 4.08 0.00 1.81 1.69 0.00 3.38 0.00 0.00 3.22 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 5 L 8.70 3.81 0.00 1.78 1.77 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.40 4.58 0.00 1.59 1.62 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.97 4.65 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.20 4.16 1.84 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 1.39 0.76 0.89 0.00 0.00 9 L 7.70 4.68 0.00 1.64 1.60 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.08 4.57 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 0.67 0.00 0.00 0.94 0.00 0.00 11 C 9.11 4.27 0.00 3.06 3.09 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 12 P 0.00 4.41 0.00 2.22 2.13 0.00 3.99 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.84 0.00 13 V 7.87 4.11 2.14 0.00 0.00 0.00 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 1.00 0.00 0.00 14 C 7.99 4.29 0.00 3.11 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 15 K 8.18 3.95 0.00 1.96 1.89 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.52 7.81 16 G 7.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.43 0.00 1.86 1.87 0.00 3.26 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 18 L 8.27 4.47 0.00 1.62 1.71 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 E 9.09 4.51 0.00 2.04 1.83 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 2.23 2.37 0.00 20 F 8.94 5.05 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.80 4.36 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 22 R 7.89 4.24 0.00 1.62 1.77 0.00 3.26 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.19 0.00 23 A 7.55 4.08 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 24 Q 8.85 4.39 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 25 A 7.89 3.73 1.43 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 0.00 0.00 0.00 26 E 8.19 5.18 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.35 0.00 27 L 9.22 4.97 0.00 1.85 1.87 1.04 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.95 4.04 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 0.96 0.00 0.00 0.92 0.00 0.00 29 C 9.11 4.55 0.00 2.75 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 30 N 8.22 4.80 0.00 2.69 2.78 0.00 0.00 7.01 7.96 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 31 A 7.46 4.61 1.24 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 0.00 0.00 32 D 8.13 4.56 0.00 2.60 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 3.79 0.00 2.04 1.97 0.00 3.07 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 34 L 7.45 4.96 0.00 1.28 1.19 0.83 0.68 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 35 A 8.25 4.63 1.13 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 0.00 0.00 36 F 8.87 4.91 0.00 3.06 3.09 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 37 P 0.00 4.84 0.00 2.16 2.22 0.00 4.08 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 38 V 9.13 4.40 2.22 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 0.91 0.00 0.00 1.15 0.00 0.00 39 R 8.99 4.17 0.00 1.78 1.97 0.00 3.48 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 40 D 9.19 4.22 0.00 2.78 2.63 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 0.00 0.00 0.00 0.00 41 G 8.68 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 4.05 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 0.83 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.86 0.00 2.18 2.08 0.00 3.53 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 1.95 2.09 0.00 44 I 8.84 4.09 1.95 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 1.45 0.98 0.98 0.00 0.00 45 M 8.23 3.35 0.00 1.50 1.82 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 46 L 7.46 4.61 0.00 1.71 1.63 0.96 0.78 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 47 E 9.11 4.18 0.00 2.20 2.43 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 2.42 2.32 0.00 48 A 8.13 4.06 1.33 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 0.00 0.00 0.00 49 E 8.07 4.48 0.00 2.03 1.99 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 2.28 2.25 0.00 50 A 7.46 4.72 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 4.76 0.00 1.86 2.00 0.00 2.71 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 52 S 8.28 5.05 0.00 3.86 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 53 L 8.69 4.38 0.00 1.52 1.66 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.24 4.47 0.00 2.60 2.64 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 0.00 55 A 7.59 4.48 1.22 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 0.00 0.00 0.00 56 E 8.57 4.50 0.00 1.96 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 2.29 2.23 0.00 57 A 8.14 4.42 1.24 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 0.00 0.00 58 P 0.00 4.28 0.00 2.05 2.02 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 59 A 8.41 4.42 1.20 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 60 Q 8.29 4.25 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.11 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 61 P 0.00 4.12 0.00 2.03 2.04 0.00 3.78 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 2.02 2.10 0.00 62 S 8.39 3.44 0.00 3.91 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 63 L 7.90 4.35 0.00 1.62 1.65 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.96 4.69 0.00 1.90 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 2.26 2.34 0.00 65 H 8.58 4.61 0.00 3.15 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.08 4.70 0.00 3.32 3.19 0.00 5.79 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 67 H 8.45 4.19 0.00 3.04 3.07 0.00 5.92 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 7.44 4.84 0.00 3.20 3.27 0.00 5.86 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 69 H 9.95 4.61 0.00 3.27 3.47 0.00 5.91 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.71 4.35 0.00 3.07 3.12 0.00 5.81 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