NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9560 8.0093 120.8044 61.8276 38.0611 173.7999 4 K 3.4965 8.4063 116.4512 56.6592 31.7274 169.5095 5 V 4.5205 8.7502 123.4438 61.5290 35.6056 174.6704 6 R 4.3479 7.8383 119.1749 56.0424 34.0003 174.4350 7 E 3.7828 8.2650 125.7943 56.5281 27.8350 175.7454 8 N 4.6943 8.4310 130.0611 51.0527 38.5695 174.6159 9 E 3.2535 8.3252 115.1769 56.3824 29.0134 171.0031 10 P 4.5537 0.0000 0.0000 60.0474 33.1534 174.2415 11 F 5.1569 7.2754 118.4802 56.3223 38.6759 173.1228 12 D 4.8579 8.0533 119.9617 52.3062 39.4624 174.6970 13 V 4.0353 7.3163 120.0192 59.6701 32.3627 177.7600 14 A 3.8180 9.0205 128.8925 54.0094 18.5927 178.3656 15 L 3.4266 6.4625 110.2775 56.2221 39.0903 175.3633 16 R 4.6541 8.0105 126.5947 55.5962 31.0568 177.4813 17 R 4.2113 8.3054 117.8723 58.7552 30.5605 178.8690 18 F 4.5733 8.4015 115.9781 59.9750 39.3896 177.4201 19 K 4.1664 8.8168 120.8258 59.1771 32.1980 179.2337 20 R 4.5495 7.7532 114.0913 56.5950 29.3257 177.2733 21 S 4.6976 8.2475 113.4656 58.7280 66.1270 174.1638 22 C 4.9193 8.1028 113.0854 59.9220 32.0373 177.2475 23 E 4.3133 8.9213 125.7762 55.0852 29.2500 180.8224 24 K 3.7750 8.6433 131.2930 56.6442 31.5524 173.4178 25 A 4.0872 9.2530 118.6551 56.7512 18.1892 180.8395 26 G 3.3226 6.9859 97.7226 48.1076 0.0000 174.8579 27 V 3.8829 7.8948 121.0296 63.0101 32.5557 176.4663 28 L 4.2626 8.6080 121.4471 57.4088 42.9315 178.0429 29 A 3.9107 7.9317 120.5025 55.4315 17.7258 177.9839 30 E 3.6199 6.9020 111.5957 60.0021 30.0881 178.7945 31 V 3.3250 8.1174 120.7050 67.0864 32.6142 181.4136 32 R 2.6197 7.7963 114.3604 55.2397 32.6729 176.3114 33 R 4.4679 8.1376 116.9653 54.1279 33.9189 175.0300 34 R 3.3253 8.5939 115.8615 56.9526 30.0345 176.4381 35 E 4.4059 8.3573 120.5549 56.3096 27.8327 175.9761 36 F 4.9258 8.2250 119.1068 54.4789 42.6200 173.9894 37 Y 3.9640 8.8777 127.8853 57.7524 38.9748 169.5125 38 E 5.9800 7.4360 121.5970 56.2677 30.8369 177.5517 39 K 4.0548 7.3735 120.8398 56.7522 32.6714 175.9624 40 P 4.0448 0.0000 0.0000 64.0621 32.5038 177.5196 41 T 4.0914 7.5577 117.0990 66.4543 68.3772 176.9720 42 T 3.9637 7.6917 110.4732 64.6798 69.2720 175.3685 43 E 3.6368 7.8930 119.4005 59.6339 28.9725 177.7110 44 R 4.0404 6.9365 121.1049 58.1493 30.7516 176.8454 45 K 4.1718 7.5014 116.0578 57.8887 32.8584 177.2696 46 R 4.3508 8.4410 117.1741 57.2418 30.7577 177.7856 47 A 4.1990 7.3554 121.2612 54.0352 18.0228 179.4261 48 K 3.8285 7.8174 117.4756 59.6353 32.5976 178.2831 49 A 4.1169 8.0355 119.3115 55.9697 18.2011 178.3733 50 S 4.2250 7.7508 112.4937 60.4809 63.7697 175.3819 51 A 4.3799 8.1159 129.5110 52.7799 17.0196 178.3134 52 V 4.3190 7.5125 116.8197 61.2220 32.5012 176.1993 53 K 4.1255 7.9354 126.8376 56.9098 32.0774 175.8652 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 3 I 8.01 3.96 1.90 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 1.40 1.50 1.20 0.00 0.00 4 K 8.41 3.50 0.00 2.10 2.00 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.51 7.81 5 V 8.75 4.52 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 0.79 0.00 0.00 0.88 0.00 0.00 6 R 7.84 4.35 0.00 1.78 1.84 0.00 3.42 0.00 0.00 3.23 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 7 E 8.26 3.78 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 8 N 8.43 4.69 0.00 2.65 2.45 0.00 0.00 7.47 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 9 E 8.33 3.25 0.00 1.40 1.61 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 2.20 2.25 0.00 10 P 0.00 4.55 0.00 2.03 1.90 0.00 3.38 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 11 F 7.28 5.16 0.00 3.12 3.22 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 12 D 8.05 4.86 0.00 2.65 2.61 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 13 V 7.32 4.04 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 0.21 0.00 0.00 0.78 0.00 0.00 14 A 9.02 3.82 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 15 L 6.46 3.43 0.00 1.71 1.90 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.01 4.65 0.00 1.87 1.87 0.00 3.31 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 17 R 8.31 4.21 0.00 1.99 2.07 0.00 3.24 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 18 F 8.40 4.57 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 4.17 0.00 1.81 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.66 1.58 7.81 20 R 7.75 4.55 0.00 1.93 1.96 0.00 3.28 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 21 S 8.25 4.70 0.00 4.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.10 4.92 0.00 2.88 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 0.00 0.00 0.00 0.00 23 E 8.92 4.31 0.00 1.93 1.12 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 2.28 2.25 0.00 24 K 8.64 3.78 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.48 7.81 25 A 9.25 4.09 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 26 G 6.99 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.88 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 0.90 0.00 0.00 28 L 8.61 4.26 0.00 1.75 1.68 0.91 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.93 3.91 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 30 E 6.90 3.62 0.00 1.95 1.82 0.00 0.00 0.00 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 2.35 0.00 31 V 8.12 3.32 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 0.69 0.00 0.00 0.93 0.00 0.00 32 R 7.80 2.62 0.00 2.02 1.96 0.00 3.41 0.00 0.00 3.13 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 33 R 8.14 4.47 0.00 1.75 1.74 0.00 3.43 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 34 R 8.59 3.33 0.00 1.92 1.93 0.00 3.39 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 35 E 8.36 4.41 0.00 1.99 1.87 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 2.47 2.63 0.00 36 F 8.22 4.93 0.00 3.20 2.88 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 37 Y 8.88 3.96 0.00 3.33 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 38 E 7.44 5.98 0.00 2.12 1.92 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 2.23 2.18 0.00 39 K 7.37 4.05 0.00 1.67 1.77 0.00 1.41 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.53 1.03 7.81 40 P 0.00 4.04 0.00 2.42 2.74 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 41 T 7.56 4.09 4.43 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 1.25 0.00 0.00 42 T 7.69 3.96 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 43 E 7.89 3.64 0.00 2.24 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 2.30 2.37 0.00 44 R 6.94 4.04 0.00 1.99 1.92 0.00 3.19 0.00 0.00 3.11 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 45 K 7.50 4.17 0.00 1.90 1.90 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 46 R 8.44 4.35 0.00 1.98 1.93 0.00 3.33 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 47 A 7.36 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 3.83 0.00 1.76 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.50 7.81 49 A 8.04 4.12 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 50 S 7.75 4.23 0.00 4.07 3.79 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 0.00 0.00 0.00 51 A 8.12 4.38 1.27 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 0.00 0.00 52 V 7.51 4.32 2.23 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 0.86 0.00 0.00 0.93 0.00 0.00 53 K 7.94 4.13 0.00 1.70 1.71 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.47 7.81