NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 60 A 4.3161 8.2644 123.5925 52.7442 20.6090 176.5927 61 F 3.4655 7.5503 115.0901 56.0924 40.5080 173.6667 62 N 4.5440 8.0488 126.1298 52.2020 40.1883 174.7529 63 Q 4.1263 8.3949 130.0242 59.2797 29.3457 177.9126 64 T 3.9003 7.9227 116.5046 66.6856 68.6408 176.3735 65 E 3.9559 8.6892 120.7482 59.1323 29.4013 179.1068 66 F 4.0619 8.0931 120.7206 61.5167 39.4839 176.8764 67 N 4.3480 8.4855 116.0320 56.1924 38.2251 177.4755 68 K 3.8631 8.0785 119.7287 59.3986 32.1599 179.1026 69 L 3.8256 7.8046 120.3478 57.9185 42.0410 178.5237 70 L 3.6763 7.8333 120.6268 58.1552 41.9681 178.7756 71 L 3.8880 8.1948 120.5004 57.9893 42.0222 178.3546 72 E 3.8838 8.3936 119.6010 59.4762 29.4939 178.6407 73 C 4.0956 8.1468 116.6219 63.0878 28.2215 176.6546 74 V 3.6592 7.6617 113.8831 64.2252 31.0944 178.9619 75 V 3.5519 7.8114 118.1638 65.7742 31.3464 177.9967 76 K 3.9275 8.1240 119.4126 59.8174 31.9738 178.9325 77 T 3.8403 8.3017 116.4079 66.6305 68.3523 176.4251 78 Q 3.9626 8.2185 121.5669 59.2918 28.9285 178.3954 79 S 4.0978 8.1510 114.1025 61.5054 62.4684 176.3101 80 S 4.1353 8.3061 118.0900 61.5996 62.5726 176.8921 81 V 3.6315 8.3324 121.2447 65.6820 31.1770 177.7957 82 A 4.1251 8.2395 120.7789 55.2374 18.1806 179.8206 83 K 3.9020 7.8789 116.8600 59.6415 32.0710 179.6398 84 I 3.6862 7.8399 120.0433 64.2552 36.9786 178.0394 85 L 4.1020 8.5562 121.6543 58.2021 41.6615 178.9875 86 G 3.5113 8.1177 104.2963 48.0799 0.0000 175.1491 87 I 3.8427 7.8377 122.8248 64.0246 37.1854 178.5165 88 E 4.0185 8.5656 119.8935 59.2694 29.0719 179.3896 89 S 4.3307 8.2909 113.1216 60.4057 63.2234 175.4233 90 L 4.3847 7.3742 120.7129 53.8011 42.5153 176.7086 91 S 4.1817 7.5100 115.4456 57.6967 62.6957 172.9585 92 P 4.2533 0.0000 0.0000 66.0725 31.1584 177.8638 93 H 4.4806 8.2310 110.2012 57.1842 28.1075 175.7695 94 V 4.4719 7.7159 112.3913 60.6803 33.3018 175.4940 95 S 4.3711 7.6072 114.6508 59.6089 63.5904 173.2430 96 G 4.2900 9.0584 116.6352 46.0647 0.0000 173.8791 97 N 4.4792 7.4920 124.1628 53.1892 37.4192 175.2270 98 S 4.2444 8.3562 119.5442 59.8382 63.5837 176.9688 99 K 3.7695 7.8794 121.7944 58.6800 31.9836 177.0262 100 F 5.0074 7.8237 115.6353 57.1025 39.3100 175.6215 101 E 4.2114 7.8833 122.5944 55.7993 30.8062 176.2581 102 Y 4.1342 8.9213 127.2323 61.1149 38.8474 178.4035 103 A 3.9323 8.1416 120.7310 55.3475 18.5281 179.1509 104 N 4.2667 8.0913 114.3885 56.7439 38.5870 177.4700 105 M 4.0128 8.1325 120.1131 58.2774 31.9837 178.9169 106 V 3.3767 7.7223 118.7241 65.7425 31.6092 177.6279 107 E 3.8572 8.1566 118.9744 59.3785 29.4998 178.4258 108 D 4.3440 7.9379 118.7757 57.5490 40.9196 178.9608 109 I 3.6914 7.8771 120.1982 64.5668 37.0317 178.7952 110 R 3.9322 8.1793 119.0027 59.0892 29.7825 178.7209 111 E 3.9061 8.2554 119.2384 59.0850 29.6493 178.8220 112 K 3.9334 8.0835 119.7065 59.3831 32.2872 178.9171 113 V 3.5819 7.9227 118.4607 66.1571 31.4709 177.7679 114 S 4.1682 8.2973 115.4918 62.0784 62.5609 177.2591 115 S 4.3271 7.7334 114.4752 61.2316 62.7887 175.9184 116 E 4.2536 8.1727 121.9923 59.3140 29.2707 179.0381 117 M 4.2681 8.7050 119.2901 58.5380 31.9024 178.2471 118 E 4.1299 8.5116 118.6566 59.4631 29.7204 178.6111 119 R 3.8510 7.5487 117.6733 58.4393 30.1585 176.9342 120 F 4.3694 7.8935 114.5223 57.2617 41.0084 175.7128 121 F 4.9782 8.2339 118.7172 54.5602 39.3115 173.0149 122 P 4.4657 0.0000 0.0000 62.6326 31.0765 176.5558 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 60 A 8.26 4.32 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.55 3.47 0.00 3.00 2.92 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 62 N 8.05 4.54 0.00 2.66 2.50 0.00 0.00 6.85 6.87 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 63 Q 8.39 4.13 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 64 T 7.92 3.90 4.35 0.00 0.00 0.00 0.00 0.00 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 65 E 8.69 3.96 0.00 2.01 1.94 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 2.40 2.41 0.00 66 F 8.09 4.06 0.00 2.94 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 4.35 0.00 2.99 2.88 0.00 0.00 7.11 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 68 K 8.08 3.86 0.00 2.01 1.82 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 69 L 7.80 3.83 0.00 1.68 1.59 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.83 3.68 0.00 1.17 1.59 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.19 3.89 0.00 1.82 1.60 0.89 0.83 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 72 E 8.39 3.88 0.00 2.07 2.02 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 2.28 2.33 0.00 73 C 8.15 4.10 0.00 3.08 2.92 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 74 V 7.66 3.66 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 0.75 0.00 0.00 1.00 0.00 0.00 75 V 7.81 3.55 2.12 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 0.98 0.00 0.00 0.97 0.00 0.00 76 K 8.12 3.93 0.00 2.14 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 77 T 8.30 3.84 4.29 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 1.21 0.00 0.00 78 Q 8.22 3.96 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 79 S 8.15 4.10 0.00 4.13 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 80 S 8.31 4.14 0.00 4.03 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 81 V 8.33 3.63 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 0.94 0.00 0.00 0.98 0.00 0.00 82 A 8.24 4.13 1.48 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 83 K 7.88 3.90 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.67 7.81 84 I 7.84 3.69 2.00 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 1.41 0.86 0.92 0.00 0.00 85 L 8.56 4.10 0.00 1.91 2.07 1.00 1.05 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 86 G 8.12 3.51 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 0.00 87 I 7.84 3.84 1.98 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 1.49 1.28 0.90 0.00 0.00 88 E 8.57 4.02 0.00 2.20 1.97 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 2.44 2.45 0.00 89 S 8.29 4.33 0.00 4.34 4.31 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 90 L 7.37 4.38 0.00 1.85 1.73 0.87 0.74 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 91 S 7.51 4.18 0.00 3.89 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 92 P 0.00 4.25 0.00 2.24 2.11 0.00 3.69 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 2.13 2.09 0.00 93 H 8.23 4.48 0.00 3.25 3.40 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.72 4.47 2.12 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 0.45 0.00 0.00 0.78 0.00 0.00 95 S 7.61 4.37 0.00 4.03 3.88 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 0.00 0.00 0.00 96 G 9.06 4.29 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 0.00 97 N 7.49 4.48 0.00 2.76 3.08 0.00 0.00 7.06 7.51 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 98 S 8.36 4.24 0.00 4.03 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 99 K 7.88 3.77 0.00 1.45 1.21 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.48 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.78 1.18 7.81 100 F 7.82 5.01 0.00 3.11 2.94 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 0.00 101 E 7.88 4.21 0.00 2.10 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 2.36 2.37 0.00 102 Y 8.92 4.13 0.00 3.12 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 0.00 103 A 8.14 3.93 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 0.00 104 N 8.09 4.27 0.00 2.93 2.83 0.00 0.00 7.12 7.66 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 0.00 105 M 8.13 4.01 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.72 0.00 106 V 7.72 3.38 1.94 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 0.96 0.00 0.00 0.22 0.00 0.00 107 E 8.16 3.86 0.00 2.17 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 2.28 2.33 0.00 108 D 7.94 4.34 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 0.00 109 I 7.88 3.69 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 0.90 0.00 0.00 110 R 8.18 3.93 0.00 2.02 1.97 0.00 3.10 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 111 E 8.26 3.91 0.00 2.20 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 0.00 2.31 2.32 0.00 112 K 8.08 3.93 0.00 1.93 1.97 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.51 7.81 113 V 7.92 3.58 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 0.95 0.00 0.00 0.99 0.00 0.00 114 S 8.30 4.17 0.00 4.09 3.95 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 0.00 115 S 7.73 4.33 0.00 4.02 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 0.00 116 E 8.17 4.25 0.00 2.22 2.15 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 2.54 2.54 0.00 117 M 8.70 4.27 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.99 0.00 118 E 8.51 4.13 0.00 2.10 2.03 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 2.34 2.38 0.00 119 R 7.55 3.85 0.00 1.98 2.12 0.00 3.19 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.39 0.00 120 F 7.89 4.37 0.00 2.38 1.98 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 0.00 121 F 8.23 4.98 0.00 3.03 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 0.00 122 P 0.00 4.47 0.00 2.06 1.97 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00