NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 E 4.1554 8.4449 118.7864 55.4593 31.7183 175.7926 24 Y 4.5694 7.6007 115.7614 54.8541 41.0509 173.4192 25 A 4.2503 9.0378 126.5083 52.3266 20.6077 175.8983 26 V 3.9868 8.3776 122.9001 61.8849 32.2812 175.3120 27 E 4.2668 8.9844 130.2801 58.4337 30.1526 176.3756 28 K 4.2545 7.3105 115.2974 56.2218 35.6150 173.7847 29 I 4.1530 8.1884 122.4583 60.5072 37.2016 175.8906 30 I 4.1285 8.5456 129.3313 63.6983 38.1013 175.2285 31 D 4.7657 7.3754 118.9961 54.5555 44.5990 174.0574 32 R 5.5185 8.7292 120.5192 55.0199 33.5449 173.7005 33 R 4.5902 8.8891 119.4877 55.3834 33.5068 173.5372 34 V 4.5971 8.1292 119.6413 61.1271 33.3432 174.7413 35 R 4.3441 8.7185 128.3601 55.3650 32.6674 175.2351 36 K 3.8472 9.3984 125.0286 57.9323 29.4073 175.7381 37 G 3.8719 8.1257 102.5294 46.1694 0.0000 172.6890 38 M 4.5022 7.6626 119.8960 53.1474 34.0652 174.9389 39 V 4.1738 8.1560 126.1888 62.8912 33.0911 174.3831 40 E 5.2102 9.4072 126.6321 54.7408 33.7693 174.1477 41 Y 5.2429 9.3815 120.6935 56.4367 41.1543 174.4379 42 Y 4.1564 8.8473 126.9689 56.5335 39.1090 173.9850 43 L 4.7169 7.7429 126.8237 53.4073 44.2359 175.0051 44 K 4.4539 7.7918 120.5594 53.5293 34.9805 174.7691 45 W 5.0901 8.3466 126.7989 54.9044 30.8624 176.1151 46 K 4.3836 8.3626 124.4605 58.3596 32.4825 177.6781 47 G 3.9958 9.1403 109.9681 45.5132 0.0000 172.6326 48 Y 4.6467 7.5323 115.8577 55.2225 40.8253 173.9722 49 P 4.5760 0.0000 0.0000 62.1151 32.3784 177.4730 50 E 4.2126 8.8934 120.0144 59.8838 29.4764 179.7334 51 T 3.9368 7.9460 107.3514 63.9370 68.7570 174.4718 52 E 4.3858 8.2631 120.6801 56.4718 30.1340 176.1760 53 N 4.5208 8.1770 118.6117 54.1070 39.7972 174.1517 54 T 4.8427 8.0232 111.6619 59.7845 73.0209 172.7602 55 W 5.0961 9.0678 123.1814 56.5865 30.1113 175.5868 56 E 5.0603 9.4447 124.5956 53.5519 32.8033 174.1612 57 P 4.8238 0.0000 0.0000 62.3033 32.4545 176.9148 58 E 4.2397 9.1789 119.6749 59.7429 29.3406 179.1382 59 N 4.5022 8.1751 115.1097 54.9988 37.4298 175.3335 60 N 4.6444 8.3720 115.7891 54.2614 39.1818 175.1334 61 L 4.5582 7.6092 118.4749 53.7624 43.4070 176.2726 62 D 4.9424 8.2531 119.3417 52.1992 41.5849 176.9700 63 C 4.7961 7.2738 117.0987 56.0234 30.9685 175.1292 64 Q 3.9694 8.0691 125.7632 59.8430 28.9467 177.0824 65 D 4.3632 7.9951 119.5539 57.4134 40.9869 178.5314 66 L 3.9442 7.7626 118.8117 57.7389 41.6268 179.4508 67 I 3.3927 7.5316 119.6283 64.4523 36.8786 178.0854 68 Q 4.0224 8.4248 119.5913 59.5044 28.6961 178.1658 69 Q 4.0862 8.4322 120.7578 59.1804 28.6933 177.5441 70 Y 3.9449 8.4447 121.1439 60.6103 38.7198 177.3335 71 E 4.2015 8.7689 117.7605 58.1617 29.7923 177.9508 72 A 4.4963 7.5335 119.9485 53.0637 19.6158 178.3612 73 S 4.4144 7.4478 111.3023 59.1954 62.8890 174.4782 74 R 4.1177 7.2896 123.0117 56.1448 29.4672 176.0986 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 23 E 8.44 4.16 0.00 1.62 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 2.11 2.11 0.00 24 Y 7.60 4.57 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.04 4.25 1.37 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 0.00 0.00 0.00 26 V 8.38 3.99 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 0.44 0.00 0.00 0.80 0.00 0.00 27 E 8.98 4.27 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 2.27 2.24 0.00 28 K 7.31 4.25 0.00 1.75 1.77 0.00 1.51 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.22 1.27 7.81 29 I 8.19 4.15 1.61 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.28 0.30 0.00 0.00 30 I 8.55 4.13 2.06 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.33 1.01 0.00 0.00 31 D 7.38 4.77 0.00 2.71 2.38 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 32 R 8.73 5.52 0.00 1.87 1.96 0.00 3.65 0.00 0.00 3.51 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 0.00 33 R 8.89 4.59 0.00 1.63 1.77 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.07 0.00 34 V 8.13 4.60 2.01 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 0.74 0.00 0.00 0.88 0.00 0.00 35 R 8.72 4.34 0.00 1.54 1.57 0.00 3.02 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 36 K 9.40 3.85 0.00 1.88 1.81 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 37 G 8.13 3.87 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 0.00 0.00 0.00 38 M 7.66 4.50 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 39 V 8.16 4.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.87 0.00 0.00 40 E 9.41 5.21 0.00 1.81 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 2.22 2.32 0.00 41 Y 9.38 5.24 0.00 2.79 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 42 Y 8.85 4.16 0.00 1.43 2.22 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 43 L 7.74 4.72 0.00 0.97 1.33 -0.17 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.79 4.45 0.00 1.90 1.42 0.00 1.59 0.00 0.00 2.18 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.16 7.81 45 W 8.35 5.09 0.00 3.04 2.90 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 46 K 8.36 4.38 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.78 1.54 7.81 47 G 9.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.53 4.65 0.00 3.14 2.90 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 49 P 0.00 4.58 0.00 2.21 1.98 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 50 E 8.89 4.21 0.00 2.01 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 2.41 2.27 0.00 51 T 7.95 3.94 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 1.24 0.00 0.00 52 E 8.26 4.39 0.00 2.25 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 0.00 2.39 2.62 0.00 53 N 8.18 4.52 0.00 2.43 1.65 0.00 0.00 6.41 7.15 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 54 T 8.02 4.84 4.42 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 1.37 0.00 0.00 55 W 9.07 5.10 0.00 3.31 3.24 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 0.00 56 E 9.44 5.06 0.00 1.95 1.96 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 2.40 2.71 0.00 57 P 0.00 4.82 0.00 2.58 2.21 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 58 E 9.18 4.24 0.00 2.36 2.34 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 2.32 2.34 0.00 59 N 8.18 4.50 0.00 2.89 3.03 0.00 0.00 6.03 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 60 N 8.37 4.64 0.00 3.00 3.04 0.00 0.00 6.95 7.42 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 61 L 7.61 4.56 0.00 1.82 1.56 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.25 4.94 0.00 2.60 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 63 C 7.27 4.80 0.00 3.02 2.96 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 64 Q 8.07 3.97 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 65 D 8.00 4.36 0.00 2.78 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 66 L 7.76 3.94 0.00 1.54 1.59 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.53 3.39 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.40 0.90 0.00 0.00 68 Q 8.42 4.02 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 69 Q 8.43 4.09 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 70 Y 8.44 3.94 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.20 0.00 2.02 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 0.00 2.70 2.61 0.00 72 A 7.53 4.50 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 73 S 7.45 4.41 0.00 3.66 3.77 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 74 R 7.29 4.12 0.00 1.92 1.81 0.00 3.38 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00