NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4119 8.1633 120.6037 55.4657 34.2372 173.8336 2 Q 4.7413 8.3442 124.5894 53.0846 30.5249 173.2674 3 I 4.5309 9.1820 117.8444 58.9764 42.0820 173.7905 4 F 5.5240 8.8949 121.3797 55.8490 42.0053 175.0514 5 V 4.8632 8.8160 121.7942 61.0217 34.5552 174.5289 6 K 4.6625 9.1346 128.9346 56.3877 33.2593 177.3040 7 T 4.7098 8.9440 117.0192 60.1808 70.9374 175.8715 8 L 4.0450 8.5551 120.8826 57.9993 41.6200 178.8724 9 T 4.0067 7.4288 105.9052 62.6092 69.0446 175.6922 10 G 3.9228 8.0670 110.6729 45.0967 0.0000 173.7959 11 K 4.3410 7.6250 119.5469 56.1568 33.0569 175.5603 12 T 5.2206 8.1822 116.3649 61.8300 71.2762 173.7552 13 I 4.6558 8.7974 119.1317 59.5377 40.8998 174.3471 14 T 5.0828 8.4747 119.6805 62.1939 70.3819 174.0158 15 L 4.7661 8.8190 125.3027 52.8533 45.3372 175.0826 16 E 4.9165 8.6995 123.4902 54.9226 30.5282 175.1910 17 V 4.6258 8.7343 119.9573 59.1097 35.9262 175.7975 18 E 4.1509 9.2359 122.1075 55.6277 29.9581 176.7437 19 P 4.2839 0.0000 0.0000 65.2115 31.5572 177.3090 20 S 4.7705 7.5731 113.2542 57.6089 63.7721 173.8574 21 D 4.4874 7.8647 119.5071 54.2963 41.9907 175.5336 22 T 4.5602 8.1648 114.3450 61.4978 71.0093 175.7424 23 I 3.7427 8.5342 124.1535 64.6992 37.1658 178.7422 24 E 3.9675 8.1617 118.9693 59.5123 29.3052 179.0318 25 N 4.3702 8.2752 116.6001 56.1046 38.5185 177.6245 26 V 3.5632 7.8577 119.6990 66.0671 31.5551 178.3031 27 K 4.2178 8.6320 119.5245 58.8077 31.8424 179.2199 28 A 3.9876 8.0457 121.1877 55.0834 18.3036 179.8828 29 K 3.9673 8.2538 117.0920 59.6257 32.0734 179.7057 30 I 3.7360 8.0111 120.3337 64.2264 36.9755 178.2554 31 Q 4.1598 8.3047 122.1023 58.8394 28.6995 178.1196 32 D 4.3439 7.9361 118.6403 57.1429 40.9166 178.2574 33 K 4.1349 8.0183 118.9749 58.3653 32.4658 177.4853 34 E 4.5182 8.7964 117.7133 55.4646 31.0472 176.6331 35 G 3.9602 8.1553 106.1141 44.9462 0.0000 173.1988 36 I 4.0701 7.4678 121.5739 59.5607 38.0238 173.6905 37 P 4.4194 0.0000 0.0000 61.9192 32.1435 175.4696 38 P 4.2424 0.0000 0.0000 65.9102 31.4490 178.3672 39 D 4.4217 8.1643 116.3740 57.0411 40.9728 177.2015 40 Q 4.3567 8.3031 116.6763 56.1354 29.4087 174.9787 41 Q 4.6947 7.8816 118.9457 55.0284 30.5945 174.7901 42 R 4.6666 8.8019 123.5145 54.4952 33.2644 173.7707 43 L 5.2131 8.5406 125.8007 53.0621 44.5081 175.2192 44 I 5.0461 8.8360 124.5156 59.5077 40.4996 174.4991 45 F 5.0027 9.0231 128.0577 57.0365 43.1198 174.2079 46 A 3.4505 8.8037 127.8105 53.2030 15.8566 178.0806 47 G 3.9132 8.3538 105.9073 46.8413 0.0000 174.2442 48 K 4.6032 7.6586 119.4348 54.0751 34.5726 175.1399 49 Q 4.5602 8.4834 124.5088 55.9623 29.7824 175.2312 50 L 3.8162 8.6910 127.4170 54.3921 42.6777 176.0678 51 E 4.7634 9.2083 123.4338 54.3152 31.8716 175.7602 52 D 4.6411 8.7364 123.5342 56.0224 41.4119 177.3233 53 G 3.9375 9.4556 110.3882 45.4627 0.0000 173.1520 54 R 4.8727 7.6792 118.1524 54.6308 33.9696 174.5415 55 T 5.0996 8.9501 109.9456 59.6514 72.0264 175.0460 56 L 4.2010 8.9611 122.3048 58.1439 42.2317 180.4665 57 S 4.2119 8.0167 112.0289 60.9266 63.2821 176.0999 58 D 4.2092 7.7652 120.1318 56.7491 40.4912 176.7015 59 Y 4.5857 7.6828 113.5815 56.7726 38.4707 174.6330 60 N 4.1740 7.7822 117.1553 54.4577 37.9868 174.1497 61 I 3.7002 7.6737 117.3381 60.4468 38.0356 175.6785 62 Q 4.7105 8.4760 124.1809 53.1180 32.2673 174.6045 63 K 4.2196 8.3793 117.7395 58.7583 32.7073 176.5837 64 E 3.4614 9.2197 120.7525 57.0141 27.7247 174.8442 65 S 4.5618 7.8727 115.4580 59.0957 64.2505 173.2724 66 T 5.2178 8.7689 118.6887 62.0914 70.4894 173.7817 67 L 5.0555 9.2005 126.7732 53.6694 44.7810 175.1022 68 H 5.1057 9.1579 118.6375 53.9959 31.5073 172.8316 69 L 4.9562 8.7535 126.3714 54.1343 43.0891 176.0845 70 V 4.6652 8.8787 118.7660 59.1975 36.2944 174.8481 71 L 4.4609 8.4973 122.8967 54.8721 42.2813 176.4470 72 R 4.3222 8.4625 124.5917 55.2020 30.7080 176.1972 73 L 4.6067 8.3986 130.3095 55.0485 41.8922 177.5186 74 R 4.5709 8.2975 118.3028 56.8414 29.7521 177.9579 75 G 3.6908 7.5859 107.5691 46.8510 0.0000 175.3165 76 G 3.9816 8.0663 105.8580 44.4751 0.0000 172.5549 77 D 4.6890 8.3540 125.1663 53.5736 40.8929 173.3581 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 4.41 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 Q 8.34 4.74 0.00 1.89 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 3 I 9.18 4.53 1.83 0.00 0.00 0.77 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 1.24 0.80 0.00 0.00 4 F 8.89 5.52 0.00 3.05 2.87 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 5 V 8.82 4.86 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 1.07 0.00 0.00 0.93 0.00 0.00 6 K 9.13 4.66 0.00 1.67 1.71 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 7 T 8.94 4.71 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 1.28 0.00 0.00 8 L 8.56 4.05 0.00 1.66 1.78 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.43 4.01 4.24 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 1.21 0.00 0.00 10 G 8.07 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 11 K 7.62 4.34 0.00 1.78 1.74 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 12 T 8.18 5.22 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 13 I 8.80 4.66 1.90 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 1.43 1.24 0.98 0.00 0.00 14 T 8.47 5.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 15 L 8.82 4.77 0.00 1.46 1.48 0.89 0.55 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 8.70 4.92 0.00 1.90 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 2.17 2.34 0.00 17 V 8.73 4.63 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 0.70 0.00 0.00 0.88 0.00 0.00 18 E 9.24 4.15 0.00 1.96 1.85 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 2.42 2.41 0.00 19 P 0.00 4.28 0.00 2.01 2.11 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 20 S 7.57 4.77 0.00 3.80 3.82 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 21 D 7.86 4.49 0.00 2.95 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.56 4.45 0.00 0.00 0.00 0.00 0.00 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 8.53 3.74 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.18 0.97 0.00 0.00 24 E 8.16 3.97 0.00 2.06 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 2.41 2.66 0.00 25 N 8.28 4.37 0.00 3.00 2.85 0.00 0.00 6.64 7.53 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 26 V 7.86 3.56 2.21 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 1.07 0.00 0.00 0.96 0.00 0.00 27 K 8.63 4.22 0.00 1.96 1.84 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.47 7.81 28 A 8.05 3.99 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 8.25 3.97 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 8.01 3.74 2.12 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 1.40 0.76 0.91 0.00 0.00 31 Q 8.30 4.16 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 7.94 4.34 0.00 2.83 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 33 K 8.02 4.13 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 34 E 8.80 4.52 0.00 1.92 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 0.00 2.23 2.33 0.00 35 G 8.16 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.47 4.07 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 1.42 1.04 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.17 1.97 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 38 P 0.00 4.24 0.00 2.17 2.11 0.00 3.61 0.00 0.00 3.85 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 39 D 8.16 4.42 0.00 2.64 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 40 Q 8.30 4.36 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.88 4.69 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 42 R 8.80 4.67 0.00 1.90 1.91 0.00 3.10 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 43 L 8.54 5.21 0.00 1.57 1.50 0.89 0.81 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 44 I 8.84 5.05 1.91 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 1.13 1.13 0.89 0.00 0.00 45 F 9.02 5.00 0.00 3.00 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 46 A 8.80 3.45 0.97 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 0.00 0.00 47 G 8.35 3.91 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 0.00 0.00 0.00 48 K 7.66 4.60 0.00 2.01 1.77 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.59 7.81 49 Q 8.48 4.56 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.69 3.82 0.00 1.38 1.30 0.73 -0.15 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 51 E 9.21 4.76 0.00 2.03 1.91 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 2.37 2.51 0.00 52 D 8.74 4.64 0.00 2.68 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 53 G 9.46 3.94 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 0.00 0.00 0.00 54 R 7.68 4.87 0.00 2.01 1.97 0.00 3.16 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 55 T 8.95 5.10 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 1.24 0.00 0.00 56 L 8.96 4.20 0.00 1.73 1.73 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.02 4.21 0.00 4.05 4.11 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 58 D 7.77 4.21 0.00 2.41 2.28 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 0.00 59 Y 7.68 4.59 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 60 N 7.78 4.17 0.00 2.92 3.01 0.00 0.00 7.12 7.95 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 61 I 7.67 3.70 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.16 0.59 0.00 0.00 62 Q 8.48 4.71 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 63 K 8.38 4.22 0.00 1.79 1.78 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.46 7.81 64 E 9.22 3.46 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 65 S 7.87 4.56 0.00 3.68 3.64 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 66 T 8.77 5.22 4.39 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 1.20 0.00 0.00 67 L 9.20 5.06 0.00 1.56 1.60 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.16 5.11 0.00 3.05 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.75 4.96 0.00 1.63 1.74 0.98 1.24 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 70 V 8.88 4.67 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 0.73 0.00 0.00 0.99 0.00 0.00 71 L 8.50 4.46 0.00 1.53 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.46 4.32 0.00 1.91 1.82 0.00 3.25 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 73 L 8.40 4.61 0.00 1.67 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.30 4.57 0.00 1.74 1.87 0.00 3.24 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 75 G 7.59 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 0.00 0.00 0.00 76 G 8.07 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 77 D 8.35 4.69 0.00 2.90 2.69 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