NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4831 8.3049 120.3265 54.4122 34.2703 175.4197 2 K 4.4179 7.5815 116.8243 52.0106 35.4054 175.1111 3 T 4.2894 9.5544 115.8261 61.2257 71.8637 175.4437 4 D 5.0733 8.2181 122.6115 57.1499 40.8387 178.9864 5 G 3.8266 8.3352 105.7515 48.1200 0.0000 175.3466 6 E 3.9423 8.3459 120.6176 59.1232 29.4934 179.3405 7 F 4.4731 8.3320 117.9275 60.7585 38.9937 177.9972 8 V 3.9584 8.6522 118.4437 66.2237 31.3513 178.2869 9 S 3.8573 8.3313 114.2926 61.3155 62.7470 176.2810 10 E 4.0448 8.4312 122.3132 59.3539 29.1412 178.7991 11 H 3.8349 8.2101 118.3710 58.9108 29.7304 176.9517 12 L 4.0416 8.2413 122.5471 58.5851 41.9352 178.6658 13 M 4.1226 8.4772 118.2530 58.6052 32.1655 177.9395 14 E 3.9316 8.2114 118.7436 59.4671 29.5227 179.4164 15 L 3.9250 7.9020 118.9187 57.6972 41.6601 179.4849 16 I 3.7105 8.0558 120.1152 64.8818 37.0873 178.6380 17 T 3.8804 8.0166 116.3405 66.7787 68.0567 176.8228 18 Q 4.0877 8.0293 118.8168 58.5138 28.7061 177.9127 19 Q 4.3692 7.4912 116.8505 54.6459 29.0845 175.1424 20 N 4.1459 7.8566 116.1518 54.4299 36.6927 173.9623 21 L 4.6777 7.6927 117.0818 53.4294 44.4959 176.3067 22 T 4.7073 7.7725 108.8039 59.5526 72.7973 174.5506 23 I 3.6757 8.1783 121.3902 64.3657 37.8790 177.6959 24 N 4.3133 8.0312 117.4978 56.5292 38.8002 176.7089 25 R 3.9327 7.8001 121.0478 58.8146 30.1597 178.6902 26 V 3.5434 7.9854 117.8402 65.8935 31.6108 177.6774 27 A 4.0017 8.4079 121.2202 55.3870 17.8686 179.7274 28 T 3.7843 8.1142 108.2455 65.1478 68.6731 176.7901 29 L 4.0488 8.0072 121.1586 56.9894 41.7685 178.7764 30 A 4.2783 8.6335 118.6721 52.0193 18.5796 177.7958 31 G 3.8356 7.5891 104.8815 46.1039 0.0000 173.8783 32 L 4.5288 7.6086 119.0731 53.9074 42.3787 175.6455 33 N 4.8301 8.1502 117.0624 51.3103 39.4667 175.6562 34 Q 3.9996 8.6630 119.4978 59.4246 28.9034 178.5745 35 S 4.0821 7.5172 114.2630 61.9744 62.8770 176.8600 36 T 3.8991 8.1430 119.3558 66.0277 67.9735 176.8394 37 V 3.6733 7.7536 118.5706 66.3049 31.4956 177.1678 38 N 4.5292 8.9119 116.4969 56.3445 38.3959 177.1972 39 A 4.0142 8.2129 121.9515 55.3822 18.2910 179.0057 40 M 3.7415 7.6230 115.4648 58.7800 32.3296 177.7633 41 F 4.7332 7.6396 112.9936 56.2015 39.9403 175.6309 42 E 4.2651 8.0123 121.0298 55.4942 29.5114 177.8161 43 G 3.6942 8.8973 114.1085 48.5762 0.0000 173.8777 44 R 4.3089 7.8056 115.6570 56.0493 30.5239 176.4417 45 S 4.3909 7.6200 113.1605 57.8372 62.8938 174.3786 46 K 4.1937 8.4738 124.9056 58.2308 32.3361 177.8174 47 R 4.2804 7.7688 117.9435 54.7608 30.7868 174.6074 48 P 4.4052 0.0000 0.0000 62.5911 32.1576 177.2951 49 T 4.3713 8.0699 112.0108 60.8177 71.5194 175.9089 50 I 3.7095 8.1700 121.5153 64.7680 36.9639 178.6642 51 T 3.8209 7.8595 115.9578 67.0325 68.3675 176.4989 52 T 3.8062 7.8474 117.3372 66.6829 68.3974 176.6930 53 I 3.3405 7.6881 121.6221 64.2392 37.0850 178.3626 54 R 3.8029 8.2881 119.7668 59.3844 29.8056 178.7033 55 K 3.9315 8.1429 118.2679 59.4907 31.9953 179.5186 56 V 3.5695 7.7929 118.4587 66.1896 31.4191 177.7598 57 C 4.1862 8.3703 116.9686 62.6757 28.0058 176.2831 58 G 3.6525 8.0982 107.2524 48.3098 0.0000 175.9044 59 T 3.9476 7.4840 116.8609 66.1311 68.5488 176.3871 60 L 4.2629 8.0448 119.4441 55.0738 41.7645 177.7079 61 G 3.9094 7.7547 106.4251 46.0890 0.0000 173.2459 62 I 4.6511 7.5599 111.6857 58.0738 40.4970 175.7703 63 S 4.5489 8.2741 116.1873 57.7806 65.4787 175.3750 64 V 3.6540 8.3469 122.6767 66.3837 31.1144 177.6025 65 H 4.2917 8.4283 116.6783 59.8370 29.9413 176.4299 66 D 4.4838 8.4653 120.4551 57.1538 40.3967 178.1713 67 F 3.9960 8.3933 120.8481 61.3512 39.2808 176.4041 68 F 4.7579 7.8616 113.5801 57.0629 40.1999 176.4429 69 D 4.7324 7.9571 121.0160 52.0091 39.8953 175.2045 70 F 4.9280 7.0313 115.5679 54.8180 41.1049 172.7539 71 P 4.3917 0.0000 0.0000 61.9673 31.8684 175.0672 72 P 4.1636 0.0000 0.0000 63.7310 31.9062 177.4477 73 Y 4.0084 6.7827 117.2595 60.0224 38.0707 176.3230 74 N 4.9448 7.6185 115.5882 52.2118 37.5672 174.2558 75 E 4.7119 7.5904 116.4938 55.0196 33.3469 176.3058 76 V 3.8526 8.1887 112.5372 61.7146 31.7902 176.3596 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 4.48 0.00 2.00 2.19 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 2.51 2.52 0.00 2 K 7.58 4.42 0.00 0.84 0.75 0.00 1.01 0.00 0.00 1.08 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 1.23 7.81 3 T 9.55 4.29 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 1.21 0.00 0.00 4 D 8.22 5.07 0.00 2.88 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 5 G 8.34 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 6 E 8.35 3.94 0.00 2.13 1.88 0.00 0.00 0.00 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 2.32 0.00 7 F 8.33 4.47 0.00 3.61 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 3.96 2.31 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 1.23 0.00 0.00 1.24 0.00 0.00 9 S 8.33 3.86 0.00 2.72 3.61 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 10 E 8.43 4.04 0.00 2.23 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 0.00 2.41 2.45 0.00 11 H 8.21 3.83 0.00 2.38 2.87 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.24 4.04 0.00 2.02 1.94 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.48 4.12 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 14 E 8.21 3.93 0.00 2.09 1.89 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 2.30 2.53 0.00 15 L 7.90 3.92 0.00 1.78 1.67 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.06 3.71 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 0.94 0.00 0.00 17 T 8.02 3.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 18 Q 8.03 4.09 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 19 Q 7.49 4.37 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 20 N 7.86 4.15 0.00 2.86 2.88 0.00 0.00 6.78 7.99 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 21 L 7.69 4.68 0.00 1.77 1.60 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.77 4.71 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 1.19 0.00 0.00 23 I 8.18 3.68 1.83 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 1.58 1.38 0.76 0.00 0.00 24 N 8.03 4.31 0.00 2.77 2.77 0.00 0.00 6.85 7.65 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 25 R 7.80 3.93 0.00 1.98 2.07 0.00 3.24 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 26 V 7.99 3.54 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 0.97 0.00 0.00 0.96 0.00 0.00 27 A 8.41 4.00 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.11 3.78 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 1.27 0.00 0.00 29 L 8.01 4.05 0.00 1.75 1.77 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.63 4.28 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 31 G 7.59 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.61 4.53 0.00 1.80 1.67 0.91 1.02 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 33 N 8.15 4.83 0.00 2.97 2.98 0.00 0.00 5.60 7.28 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 34 Q 8.66 4.00 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 35 S 7.52 4.08 0.00 4.13 4.13 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 36 T 8.14 3.90 4.37 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 1.21 0.00 0.00 37 V 7.75 3.67 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 0.94 0.00 0.00 0.98 0.00 0.00 38 N 8.91 4.53 0.00 2.95 2.90 0.00 0.00 7.00 6.80 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 39 A 8.21 4.01 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 40 M 7.62 3.74 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.52 0.00 41 F 7.64 4.73 0.00 3.07 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 42 E 8.01 4.27 0.00 2.22 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 2.60 2.43 0.00 43 G 8.90 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 44 R 7.81 4.31 0.00 1.82 1.98 0.00 3.38 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 45 S 7.62 4.39 0.00 3.87 4.10 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 0.00 0.00 0.00 0.00 46 K 8.47 4.19 0.00 1.80 1.86 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.47 7.81 47 R 7.77 4.28 0.00 1.80 1.84 0.00 3.16 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 48 P 0.00 4.41 0.00 1.97 1.90 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 49 T 8.07 4.37 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 50 I 8.17 3.71 1.87 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 1.67 0.51 0.93 0.00 0.00 51 T 7.86 3.82 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 1.20 0.00 0.00 52 T 7.85 3.81 4.33 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 1.16 0.00 0.00 53 I 7.69 3.34 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 0.98 0.67 0.03 0.00 0.00 54 R 8.29 3.80 0.00 1.85 2.06 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 55 K 8.14 3.93 0.00 1.95 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.57 7.81 56 V 7.79 3.57 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 1.08 0.00 0.00 0.91 0.00 0.00 57 C 8.37 4.19 0.00 3.15 3.22 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 58 G 8.10 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 59 T 7.48 3.95 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 60 L 8.04 4.26 0.00 1.77 1.74 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.75 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 62 I 7.56 4.65 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.94 0.00 0.00 63 S 8.27 4.55 0.00 4.14 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 64 V 8.35 3.65 2.18 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 1.28 0.00 0.00 0.92 0.00 0.00 65 H 8.43 4.29 0.00 3.19 3.44 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.47 4.48 0.00 2.95 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 67 F 8.39 4.00 0.00 2.94 3.22 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 68 F 7.86 4.76 0.00 3.14 2.95 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 69 D 7.96 4.73 0.00 2.64 2.73 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 70 F 7.03 4.93 0.00 3.18 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 71 P 0.00 4.39 0.00 2.01 1.92 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 72 P 0.00 4.16 0.00 1.62 1.73 0.00 2.29 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.48 0.00 73 Y 6.78 4.01 0.00 2.96 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 74 N 7.62 4.94 0.00 2.83 3.02 0.00 0.00 6.73 7.10 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 75 E 7.59 4.71 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 76 V 8.19 3.85 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 0.64 0.00 0.00 0.90 0.00 0.00