NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7468 8.2076 120.4740 54.4223 43.2054 173.3628 9 F 5.1722 7.8005 115.5019 54.9861 41.4904 168.5692 10 V 4.6699 9.0648 112.2930 59.5781 35.8859 176.1506 11 V 4.7857 8.7893 124.2590 61.4659 33.6719 174.5802 12 I 5.0777 9.0902 128.2608 59.3662 41.0192 174.0392 13 K 4.9720 8.9143 128.2278 54.2383 34.8564 174.7718 14 A 4.3821 8.7473 130.3396 52.1500 18.6042 177.9789 15 V 4.1317 8.7435 123.6825 64.7349 32.4107 175.4820 16 E 4.7607 7.8153 117.3799 54.3752 33.6952 174.3043 17 D 4.4393 8.4062 119.7403 55.7527 41.2804 176.3347 18 G 3.7830 8.0679 108.2121 46.7120 0.0000 174.0816 19 V 4.1195 7.5337 118.9179 62.2132 33.2619 174.3593 20 N 5.4283 9.1527 124.2227 51.3881 42.2161 173.4553 21 V 4.6048 8.7663 123.8362 61.3820 33.8085 174.0704 22 I 4.6870 8.8369 130.0025 59.4364 39.5893 175.0261 23 G 4.2276 9.0428 114.6048 44.7697 0.0000 172.3878 24 L 5.5772 8.6061 124.7128 52.7078 44.3533 176.2274 25 T 4.5051 8.7873 114.2957 61.9984 69.3219 173.9628 26 R 4.2911 7.9699 125.9247 55.8135 30.4885 176.2621 27 G 3.8411 8.7134 111.4868 44.3385 0.0000 173.7397 28 T 3.9785 8.4105 109.5688 63.9082 69.0385 174.1333 29 D 4.8564 7.2512 117.5340 52.8689 42.5550 176.3194 30 T 4.6272 8.2698 118.3697 61.7744 70.4273 173.1805 31 K 4.7241 9.0254 125.2940 53.9289 36.7273 175.9995 32 F 5.0329 8.8320 122.5095 58.3971 38.7837 174.7837 33 H 4.9319 9.1247 119.3603 56.4752 30.3076 174.3915 34 H 4.6782 7.5915 116.7090 55.1665 33.2334 172.2682 35 S 4.8741 8.2210 119.0137 56.3708 64.6376 172.5584 36 E 4.3026 9.1764 130.1702 55.2582 30.6939 175.1086 37 K 4.6200 8.6233 128.8609 55.9407 33.6691 175.5761 38 L 4.7535 9.0199 127.5207 53.1015 44.4940 176.1038 39 D 4.9748 8.7647 123.6477 52.5962 43.0075 175.9855 40 K 3.8607 8.2882 120.8114 58.6328 32.2806 177.0217 41 G 4.0353 9.2857 115.2184 45.4532 0.0000 173.5008 42 E 4.3370 7.9873 119.2546 56.1063 30.9292 176.0065 43 V 4.9632 8.1966 121.0005 61.1785 34.7978 174.4659 44 I 4.6439 9.1098 126.5334 59.1890 41.6704 173.8439 45 I 4.9517 8.3704 128.2549 59.4809 39.4722 174.7015 46 A 4.6579 8.8084 128.6562 50.1796 22.0824 175.3005 47 Q 4.8559 8.5670 120.7054 54.6352 30.8409 175.4825 48 F 4.7000 8.4633 120.2062 57.8405 38.8539 175.4390 49 T 4.6965 8.8662 111.4070 60.1317 71.8986 173.8832 50 E 4.0660 8.9306 121.0237 59.3024 29.7351 177.3494 51 H 4.6235 7.7905 111.8412 55.9767 30.0911 174.3994 52 T 5.1456 8.2902 117.0693 61.9981 69.6974 174.2183 53 S 4.9188 8.8376 119.1079 57.5434 64.0451 173.0674 54 A 5.0089 7.8111 121.6847 51.2459 22.4754 175.5445 55 I 4.9681 8.6294 121.5584 59.3202 40.6508 174.7757 56 K 4.6350 8.8635 127.6604 54.4546 35.2006 174.6478 57 V 4.8240 8.3463 125.6907 61.0320 33.9489 174.3418 58 R 4.4922 8.7918 128.0267 55.1724 32.8597 174.1975 59 G 3.9358 8.9724 111.0751 43.6836 0.0000 172.3223 60 E 4.5027 8.7503 119.7282 55.9629 30.4355 175.1335 61 A 4.9723 8.8457 127.5893 50.9108 23.5606 174.0920 62 L 4.9479 8.9092 122.2367 53.3623 44.6000 175.2401 63 I 5.0077 8.9802 127.0410 59.6028 40.2909 174.4200 64 Q 5.2961 8.9809 125.5979 54.4292 32.0247 174.8866 65 T 4.8199 8.8883 112.5691 59.6401 72.5089 174.2730 66 A 3.7907 8.4226 123.4338 55.1096 18.0958 177.9514 67 Y 4.8231 7.3847 111.2179 57.9071 38.7551 175.1040 68 G 3.9276 7.9010 106.3887 44.1144 0.0000 172.8503 69 E 5.2290 8.4584 119.0323 55.4508 32.1809 175.4001 70 M 4.8139 8.8046 120.3856 54.2142 36.3985 173.2044 71 K 5.1113 8.6365 126.4949 54.6239 34.5195 175.3916 72 S 4.6696 8.8828 122.6017 57.7679 64.9587 172.9333 73 E 5.1139 8.4445 120.6474 53.9599 32.2196 176.0243 74 K 4.0385 9.2495 123.2303 56.9547 32.1865 176.4974 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 8 D 8.21 4.75 0.00 2.75 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 F 7.80 5.17 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.06 4.67 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 0.65 0.00 0.00 0.87 0.00 0.00 11 V 8.79 4.79 2.14 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 0.97 0.00 0.00 1.09 0.00 0.00 12 I 9.09 5.08 1.84 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 1.09 0.56 0.89 0.00 0.00 13 K 8.91 4.97 0.00 1.79 1.63 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 14 A 8.75 4.38 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 15 V 8.74 4.13 2.13 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 0.78 0.00 0.00 0.93 0.00 0.00 16 E 7.82 4.76 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 17 D 8.41 4.44 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 19 V 7.53 4.12 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 0.98 0.00 0.00 20 N 9.15 5.43 0.00 2.64 2.56 0.00 0.00 6.35 8.04 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 21 V 8.77 4.60 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 0.84 0.00 0.00 0.89 0.00 0.00 22 I 8.84 4.69 1.42 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.32 -0.08 0.00 0.00 23 G 9.04 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 0.00 0.00 0.00 0.00 24 L 8.61 5.58 0.00 1.88 1.70 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.79 4.51 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 1.34 0.00 0.00 26 R 7.97 4.29 0.00 1.91 1.98 0.00 3.25 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.71 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 28 T 8.41 3.98 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 1.22 0.00 0.00 29 D 7.25 4.86 0.00 2.74 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 30 T 8.27 4.63 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 1.29 0.00 0.00 31 K 9.03 4.72 0.00 1.71 1.65 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.40 7.81 32 F 8.83 5.03 0.00 2.88 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 33 H 9.12 4.93 0.00 3.12 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.59 4.68 0.00 3.30 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.22 4.87 0.00 3.76 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 36 E 9.18 4.30 0.00 2.13 1.78 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 2.28 2.29 0.00 37 K 8.62 4.62 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.45 7.81 38 L 9.02 4.75 0.00 1.67 1.51 0.96 0.91 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 39 D 8.76 4.97 0.00 2.59 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 40 K 8.29 3.86 0.00 2.04 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.47 7.81 41 G 9.29 4.04 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 0.00 0.00 0.00 42 E 7.99 4.34 0.00 2.05 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 2.31 2.24 0.00 43 V 8.20 4.96 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 0.80 0.00 0.00 0.92 0.00 0.00 44 I 9.11 4.64 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.92 0.00 0.00 45 I 8.37 4.95 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.41 0.00 0.00 46 A 8.81 4.66 1.10 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 47 Q 8.57 4.86 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 48 F 8.46 4.70 0.00 3.02 2.97 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 49 T 8.87 4.70 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 1.30 0.00 0.00 50 E 8.93 4.07 0.00 1.91 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 2.15 2.28 0.00 51 H 7.79 4.62 0.00 3.25 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.29 5.15 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 1.31 0.00 0.00 53 S 8.84 4.92 0.00 3.94 4.05 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 0.00 0.00 0.00 0.00 54 A 7.81 5.01 1.31 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 0.00 0.00 55 I 8.63 4.97 1.84 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.69 0.83 0.00 0.00 56 K 8.86 4.63 0.00 1.74 1.41 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.35 4.82 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.79 4.49 0.00 1.87 1.67 0.00 3.14 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 59 G 8.97 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 60 E 8.75 4.50 0.00 2.11 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 2.37 2.37 0.00 61 A 8.85 4.97 1.25 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 0.00 0.00 62 L 8.91 4.95 0.00 1.74 1.52 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.98 5.01 1.99 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 1.22 0.77 0.92 0.00 0.00 64 Q 8.98 5.30 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 65 T 8.89 4.82 3.97 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 1.17 0.00 0.00 66 A 8.42 3.79 0.96 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 67 Y 7.38 4.82 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 5.23 0.00 1.87 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 2.25 2.30 0.00 70 M 8.80 4.81 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 71 K 8.64 5.11 0.00 1.75 1.66 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.58 7.81 72 S 8.88 4.67 0.00 4.02 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 73 E 8.44 5.11 0.00 1.85 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 2.21 2.21 0.00 74 K 9.25 4.04 0.00 1.72 1.75 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.40 7.81