NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5272 8.3344 117.1036 58.1198 64.2058 174.0569 3 D 4.5972 8.0621 120.3217 52.5222 43.1660 173.8406 4 K 2.6679 8.5633 118.4678 55.1345 34.0534 174.2539 5 P 4.1889 0.0000 0.0000 63.3625 31.7467 177.3666 6 K 4.2112 8.3950 123.4090 53.9330 32.4367 176.2167 7 R 3.2235 8.2651 121.9526 54.7316 30.5545 175.1735 8 P 4.3071 0.0000 0.0000 62.5417 32.0279 175.9589 9 L 4.2275 8.0967 120.3818 54.0041 42.6901 177.6646 10 S 4.4330 8.3362 117.3500 57.8492 65.2045 175.2753 11 A 4.1900 8.5485 123.1453 55.5169 18.0284 179.1863 12 Y 2.3900 7.6074 117.4266 60.5198 38.7476 178.0098 13 M 3.5756 7.7220 119.3825 57.9879 32.0659 178.8090 14 L 3.8550 7.8299 119.2740 57.3803 41.8478 179.3076 15 W 2.5400 7.5513 128.2193 59.5623 30.4773 177.8041 16 L 2.4413 7.1845 120.4199 57.6976 41.2075 178.5024 17 N 4.0815 7.4797 115.4792 56.3868 38.5334 177.2522 18 S 4.1233 7.3886 113.8419 60.4537 63.4565 175.4460 19 A 4.1522 6.9736 123.0651 52.5164 19.0948 178.4525 20 R 3.5609 7.7456 118.1049 60.1877 30.0760 178.1339 21 E 3.9875 7.9914 117.2978 59.2247 29.4749 179.4839 22 S 4.0067 7.7265 112.7547 61.5298 62.4539 175.8845 23 I 3.7113 7.6667 121.3435 64.5373 36.7103 178.2908 24 K 4.1269 8.4734 119.8856 59.1993 31.6704 179.3031 25 R 4.1084 7.7732 114.7033 58.2071 29.8092 177.7999 26 E 4.4261 7.8437 117.7661 56.9042 31.1258 176.9536 27 N 4.9807 7.6525 116.2153 50.1263 40.1142 170.9934 28 P 4.3323 0.0000 0.0000 64.0769 32.1301 177.3671 29 G 3.9038 8.8264 109.2272 45.2841 0.0000 173.6328 30 I 3.6015 7.5370 120.0100 61.5733 38.4228 176.2697 31 K 4.3646 8.4193 126.6538 55.6683 34.2276 178.6400 32 V 3.6041 8.2551 114.4400 64.9358 31.4651 179.0344 33 T 3.9090 7.8507 108.9503 64.5454 68.6558 176.2400 34 E 4.1199 7.9934 120.8754 58.6498 29.7123 178.9482 35 V 3.5795 8.0210 118.7651 65.6915 31.5221 177.9916 36 A 4.0097 8.2440 120.7506 54.9803 18.2897 179.2974 37 K 3.8303 8.0889 118.1980 59.9436 32.2838 178.9023 38 R 4.2869 8.5105 119.2817 59.3309 29.8620 178.6798 39 G 4.1490 8.8151 106.3060 47.9261 0.0000 175.8806 40 G 3.7581 8.5794 108.3977 47.5040 0.0000 175.6403 41 E 4.0068 8.0981 120.3473 59.2761 29.5627 179.4176 42 L 3.9725 8.1554 118.8670 57.5172 41.5172 179.3516 43 W 3.7678 8.1592 127.1689 60.6350 30.7604 177.9912 44 R 3.8962 8.3255 116.6117 58.6534 29.5190 178.1278 45 A 4.3116 7.4493 118.4951 51.8886 19.4099 177.2157 46 M 3.7424 7.0229 117.6176 55.6302 32.6748 175.8862 47 K 3.8865 8.7903 127.6050 58.8287 32.5559 176.1127 48 D 4.6522 7.7073 118.0593 52.0252 42.9227 175.4808 49 K 4.3912 8.3913 126.0379 56.9465 32.5944 178.4376 50 S 4.4110 8.4404 117.3781 61.0345 62.6369 176.4140 51 E 3.8255 8.0166 121.9627 58.7888 29.4394 178.6899 52 W 4.4103 7.9632 118.5496 59.7565 29.0802 178.2728 53 E 4.1935 8.8060 118.9474 59.2221 28.9043 179.1661 54 A 4.0485 8.1700 120.9857 55.1756 18.4637 179.8723 55 K 4.0910 8.1270 116.5302 59.4302 32.0478 179.5515 56 A 4.0641 8.1978 121.0581 55.0854 18.3430 179.5353 57 A 3.9854 8.5571 119.8269 55.2465 18.4834 179.8347 58 K 3.9657 8.7476 118.3692 59.4670 32.2631 178.9960 59 A 4.0676 8.2040 121.3545 54.8173 18.2672 179.4990 60 K 4.0008 8.3177 118.3068 59.7704 32.2193 178.7319 61 D 4.3898 8.1682 119.1274 57.6698 40.8052 178.5880 62 D 4.3702 8.2621 119.2824 57.3803 40.6820 178.3432 63 Y 4.0959 8.1467 120.0086 60.8897 38.9153 177.6254 64 D 4.0718 8.7479 120.1068 57.3412 40.8962 179.0718 65 R 3.8490 8.2586 118.4586 59.3175 30.2414 178.9748 66 A 4.0060 8.3245 120.8275 55.1590 18.3427 179.8623 67 V 3.5403 7.6906 117.0578 65.7525 31.2795 178.5364 68 K 3.9831 7.6568 117.7085 59.3017 32.2060 178.7614 69 E 4.1200 8.1455 118.8951 59.5964 29.2494 179.3309 70 F 4.2722 8.0742 118.6638 60.3792 39.6840 175.9206 71 E 4.4325 7.8740 115.7513 55.9448 29.5579 177.4884 72 A 4.0298 7.7942 123.0038 54.7275 18.4998 178.4734 73 N 4.4721 7.9498 111.6983 52.5716 39.3647 175.3693 74 G 4.1005 7.8107 113.2350 45.9188 0.0000 173.6555 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 2 S 8.33 4.53 0.00 3.65 3.81 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 3 D 8.06 4.60 0.00 2.71 2.78 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 4 K 8.56 2.67 0.00 1.32 1.59 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 5 P 0.00 4.19 0.00 2.14 2.07 0.00 3.30 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 6 K 8.40 4.21 0.00 1.77 1.59 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 7 R 8.27 3.22 0.00 1.62 1.63 0.00 3.09 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 8 P 0.00 4.31 0.00 2.12 2.12 0.00 2.93 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 9 L 8.10 4.23 0.00 1.63 1.57 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.34 4.43 0.00 4.08 4.03 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 11 A 8.55 4.19 1.73 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 0.00 0.00 12 Y 7.61 2.39 0.00 1.84 2.55 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 13 M 7.72 3.58 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 14 L 7.83 3.86 0.00 1.99 1.95 1.07 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 W 7.55 2.54 0.00 1.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.18 2.44 0.00 0.96 1.01 0.70 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.48 4.08 0.00 2.54 2.72 0.00 0.00 7.14 8.25 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 18 S 7.39 4.12 0.00 4.12 4.06 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 19 A 6.97 4.15 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.75 3.56 0.00 1.72 1.77 0.00 2.99 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 21 E 7.99 3.99 0.00 1.95 1.95 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 2.33 2.27 0.00 22 S 7.73 4.01 0.00 3.86 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 23 I 7.67 3.71 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.71 0.91 0.00 0.00 24 K 8.47 4.13 0.00 1.87 1.83 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.51 7.81 25 R 7.77 4.11 0.00 1.99 2.04 0.00 3.06 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 26 E 7.84 4.43 0.00 2.15 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 0.00 2.35 2.61 0.00 27 N 7.65 4.98 0.00 2.70 2.68 0.00 0.00 6.84 7.70 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 28 P 0.00 4.33 0.00 2.03 2.01 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 29 G 8.83 3.90 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 0.00 0.00 0.00 30 I 7.54 3.60 1.98 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 1.29 0.86 0.91 0.00 0.00 31 K 8.42 4.36 0.00 1.78 1.70 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.61 7.81 32 V 8.26 3.60 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 0.81 0.00 0.00 0.92 0.00 0.00 33 T 7.85 3.91 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 34 E 7.99 4.12 0.00 2.20 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 2.40 2.36 0.00 35 V 8.02 3.58 2.20 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 0.87 0.00 0.00 0.99 0.00 0.00 36 A 8.24 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 3.83 0.00 1.96 2.03 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 38 R 8.51 4.29 0.00 2.11 2.16 0.00 3.37 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 39 G 8.82 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 3.76 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 0.00 0.00 0.00 41 E 8.10 4.01 0.00 2.31 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 0.00 2.36 2.51 0.00 42 L 8.16 3.97 0.00 1.90 1.63 1.01 0.94 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 43 W 8.16 3.77 0.00 3.43 3.13 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 44 R 8.33 3.90 0.00 1.82 1.94 0.00 3.19 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 45 A 7.45 4.31 1.23 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 46 M 7.02 3.74 0.00 1.40 1.67 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 47 K 8.79 3.89 0.00 1.68 1.77 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.45 7.81 48 D 7.71 4.65 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 4.39 0.00 1.83 1.79 0.00 1.36 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 1.00 7.81 50 S 8.44 4.41 0.00 4.02 4.14 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 51 E 8.02 3.83 0.00 1.86 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 52 W 7.96 4.41 0.00 3.93 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.81 4.19 0.00 2.22 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 0.00 2.51 2.66 0.00 54 A 8.17 4.05 1.36 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 0.00 0.00 0.00 0.00 0.00 55 K 8.13 4.09 0.00 2.19 1.99 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.42 1.63 7.81 56 A 8.20 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 3.99 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 58 K 8.75 3.97 0.00 1.81 1.98 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 59 A 8.20 4.07 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 60 K 8.32 4.00 0.00 1.98 2.09 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.60 7.81 61 D 8.17 4.39 0.00 2.99 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 62 D 8.26 4.37 0.00 2.89 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 Y 8.15 4.10 0.00 3.10 3.25 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 0.00 64 D 8.75 4.07 0.00 2.68 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 65 R 8.26 3.85 0.00 2.13 1.97 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 66 A 8.32 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 3.54 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 0.98 0.00 0.00 0.19 0.00 0.00 68 K 7.66 3.98 0.00 1.93 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.56 7.81 69 E 8.15 4.12 0.00 2.25 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 2.34 2.51 0.00 70 F 8.07 4.27 0.00 3.10 3.27 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 0.00 71 E 7.87 4.43 0.00 2.18 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 2.24 2.41 0.00 72 A 7.79 4.03 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 73 N 7.95 4.47 0.00 2.63 2.80 0.00 0.00 6.92 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 74 G 7.81 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 0.00 0.00 0.00