NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6227 8.2233 120.1920 54.1209 42.5097 176.3648 6 D 4.3833 8.6142 126.1033 56.8967 40.8962 177.3167 7 D 4.4614 9.0910 120.6877 57.4349 41.1542 178.1551 8 D 4.4967 8.0353 118.0686 56.7258 40.7899 178.9529 9 K 3.9635 7.8827 119.0740 59.1525 32.1701 179.0198 10 K 4.0647 7.9010 119.8195 59.9991 32.1228 179.0126 11 T 3.8102 8.2638 116.4032 66.7702 68.2965 176.4900 12 N 4.2677 8.3713 118.4035 55.6965 38.5141 177.6629 13 W 4.1252 8.1689 120.6295 59.8143 29.1868 178.5763 14 L 3.7279 8.0710 118.9713 57.1918 40.9417 179.2525 15 K 3.7345 8.1866 120.0648 59.5349 32.0429 178.6400 16 R 3.7536 8.0498 118.6102 59.5635 29.4712 178.1521 17 I 3.6420 8.2373 119.9339 64.9182 36.8846 177.6667 18 Y 4.1653 7.7434 118.5971 60.5535 38.6892 177.6033 19 R 3.9089 7.6784 118.6571 59.3566 30.4076 178.3296 20 V 4.1697 7.8653 109.5285 61.5229 32.2586 176.6121 21 R 4.3808 7.0991 117.5126 53.2817 31.2742 173.3970 22 P 4.3404 0.0000 0.0000 61.4300 32.6580 175.4708 23 C 4.0038 8.9592 118.7027 60.5598 31.3855 175.4957 24 V 3.6803 8.4921 120.9113 63.4399 31.4781 176.6570 25 K 3.8357 7.7818 118.9680 57.7866 33.2218 176.7615 26 C 4.2102 7.8019 111.7103 57.8871 30.3066 174.9825 27 K 4.0275 7.8781 117.6560 57.1126 30.3672 175.5276 28 V 4.1359 7.3555 108.9567 62.5662 33.9495 175.8497 29 A 3.9500 7.8724 121.8399 51.8447 18.7104 175.3902 30 P 4.6045 0.0000 0.0000 61.9989 32.4406 176.5254 31 R 4.2721 7.8328 118.1611 56.0717 30.8975 176.2224 32 D 5.0289 8.7090 120.3324 54.6360 42.6529 174.8535 33 W 5.6567 8.0517 119.3539 56.2598 31.3165 172.7079 34 K 4.2151 8.9362 117.7227 56.3213 35.7298 174.1415 35 V 4.5522 8.4902 121.1474 61.2466 32.4473 176.9392 36 K 4.3937 9.1148 130.1726 56.3143 30.4139 176.3746 37 N 4.1970 7.5339 114.9578 54.5804 39.5265 176.4722 38 K 4.3237 10.0523 117.0782 57.8349 33.1207 176.8501 39 H 5.4334 8.2008 114.1621 53.7576 33.1134 172.7551 40 L 4.9532 9.1864 122.7523 53.6742 44.0404 175.0722 41 R 4.8897 9.1320 128.2586 55.1033 31.6951 175.2062 42 I 4.6979 8.7422 129.4851 59.8882 37.2063 175.7917 43 F 4.8581 9.1573 127.2569 57.3013 39.6922 176.9327 44 N 4.6449 9.6933 119.9090 55.8734 39.0142 175.3174 45 M 5.0616 7.5245 113.7371 52.9156 35.5356 175.0812 46 C 4.9334 8.3447 116.0436 57.8267 30.8917 174.4656 47 K 4.0928 8.5741 119.4025 59.5812 31.5954 178.7435 48 T 3.8765 7.8699 115.7148 66.9792 68.4905 176.2507 49 C 4.1677 8.1228 118.0653 62.6149 28.0232 175.7293 50 F 4.2992 8.2252 122.0983 61.5662 39.0558 176.8270 51 N 3.9711 8.3174 115.9533 56.1766 38.2672 176.7513 52 N 4.2280 8.2548 118.6054 56.8686 38.9477 176.8207 53 S 4.1117 8.2907 115.8402 61.6728 62.9174 176.7548 54 I 3.5980 7.2174 122.8720 64.2951 36.6511 177.9297 55 D 4.3812 7.8007 118.6605 57.1168 40.7587 178.3057 56 I 4.1214 7.9339 111.2438 60.4855 38.3789 175.6644 57 G 3.6564 7.8670 108.1980 47.0838 0.0000 173.2870 58 D 4.7538 8.3747 119.6176 52.3108 42.8540 174.6009 59 D 4.3983 8.3723 125.1120 53.2149 39.8424 178.1799 60 T 3.5983 8.1059 119.0787 66.8787 68.2922 174.6357 61 Y 4.6902 7.6037 115.1818 57.7477 38.5346 175.3539 62 H 4.4017 8.1553 119.1095 54.8351 29.2110 175.6227 63 G 4.3566 7.8985 111.8994 45.0229 0.0000 170.0645 64 H 5.3491 7.6277 114.3655 54.3599 31.8264 172.9801 65 V 4.2709 8.6123 118.4078 61.1914 34.2919 173.8529 66 D 5.1919 8.5043 127.5365 53.0674 42.4655 175.7353 67 W 4.6952 9.1999 123.0127 54.2610 31.9900 174.7920 68 L 4.1274 8.7598 127.0573 55.9395 42.1332 177.3624 69 M 4.0143 8.5569 124.9545 56.3561 32.2681 175.4695 70 Y 4.8500 7.0694 115.5301 55.8520 40.9879 175.6066 71 A 4.2955 9.1283 124.0152 53.6182 19.0561 177.5198 72 D 4.9929 7.8289 114.4274 52.2039 43.7721 175.7432 73 S 4.3385 8.6852 120.6208 58.9760 62.8247 174.0606 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 5 D 8.22 4.62 0.00 2.70 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 6 D 8.61 4.38 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.09 4.46 0.00 2.98 2.77 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 0.00 0.00 0.00 8 D 8.04 4.50 0.00 2.98 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 9 K 7.88 3.96 0.00 2.06 2.00 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.70 7.81 10 K 7.90 4.06 0.00 1.88 2.03 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.58 7.81 11 T 8.26 3.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 12 N 8.37 4.27 0.00 2.61 2.64 0.00 0.00 7.04 7.19 0.00 0.00 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 W 8.17 4.13 0.00 3.61 3.02 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 0.00 0.00 0.00 0.00 14 L 8.07 3.73 0.00 1.68 1.46 0.85 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.19 3.73 0.00 1.98 1.85 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.42 7.81 16 R 8.05 3.75 0.00 1.83 2.07 0.00 2.87 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 17 I 8.24 3.64 1.67 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.56 0.00 0.00 18 Y 7.74 4.17 0.00 2.83 3.04 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 0.00 0.00 0.00 19 R 7.68 3.91 0.00 1.87 2.04 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 20 V 7.87 4.17 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 0.83 0.00 0.00 0.99 0.00 0.00 21 R 7.10 4.38 0.00 1.91 1.84 0.00 3.22 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 22 P 0.00 4.34 0.00 2.07 2.28 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 23 C 8.96 4.00 0.00 2.99 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 24 V 8.49 3.68 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 0.76 0.00 0.00 0.99 0.00 0.00 25 K 7.78 3.84 0.00 1.29 1.67 0.00 1.35 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.37 7.81 26 C 7.80 4.21 0.00 3.12 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 27 K 7.88 4.03 0.00 1.95 1.96 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.49 7.81 28 V 7.36 4.14 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 0.67 0.00 0.00 0.92 0.00 0.00 29 A 7.87 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.15 1.93 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 31 R 7.83 4.27 0.00 2.03 2.35 0.00 3.29 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 32 D 8.71 5.03 0.00 2.95 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 33 W 8.05 5.66 0.00 3.51 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.94 4.22 0.00 1.78 1.88 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.36 7.81 35 V 8.49 4.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.15 0.00 0.00 36 K 9.11 4.39 0.00 1.81 1.74 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.45 7.81 37 N 7.53 4.20 0.00 2.97 2.89 0.00 0.00 6.39 7.13 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 38 K 10.05 4.32 0.00 2.06 1.91 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.55 1.65 7.81 39 H 8.20 5.43 0.00 3.08 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.19 4.95 0.00 1.71 1.62 0.95 0.69 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 41 R 9.13 4.89 0.00 1.92 1.79 0.00 2.81 0.00 0.00 2.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 42 I 8.74 4.70 2.19 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 1.47 1.02 1.19 0.00 0.00 43 F 9.16 4.86 0.00 3.16 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 44 N 9.69 4.64 0.00 3.04 3.04 0.00 0.00 6.92 7.23 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 45 M 7.52 5.06 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 46 C 8.34 4.93 0.00 3.17 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 4.09 0.00 2.05 1.86 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.57 7.81 48 T 7.87 3.88 4.27 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 1.22 0.00 0.00 49 C 8.12 4.17 0.00 3.03 3.02 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 0.00 0.00 0.00 0.00 50 F 8.23 4.30 0.00 3.19 3.20 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 51 N 8.32 3.97 0.00 2.74 2.78 0.00 0.00 6.75 6.51 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 52 N 8.25 4.23 0.00 2.88 3.03 0.00 0.00 6.97 7.20 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 53 S 8.29 4.11 0.00 4.27 4.38 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 54 I 7.22 3.60 1.77 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.81 0.00 0.00 55 D 7.80 4.38 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 4.12 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.56 0.97 0.00 0.00 57 G 7.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.75 0.00 2.58 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 59 D 8.37 4.40 0.00 2.63 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 60 T 8.11 3.60 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 61 Y 7.60 4.69 0.00 3.11 3.06 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 62 H 8.16 4.40 0.00 3.29 3.40 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.90 4.36 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 0.00 64 H 7.63 5.35 0.00 2.84 3.19 0.00 5.47 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.61 4.27 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 0.42 0.00 0.00 0.94 0.00 0.00 66 D 8.50 5.19 0.00 2.48 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.20 4.70 0.00 3.23 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 68 L 8.76 4.13 0.00 1.78 1.63 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 M 8.56 4.01 0.00 1.66 1.72 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 70 Y 7.07 4.85 0.00 2.78 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 71 A 9.13 4.30 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 72 D 7.83 4.99 0.00 2.63 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 73 S 8.69 4.34 0.00 3.91 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