NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1988 8.1548 116.6243 55.1670 31.1220 176.2137 2 P 4.2281 0.0000 0.0000 60.7503 31.8312 175.6484 3 D 4.3680 8.4247 119.1993 57.5475 40.7293 179.5080 4 F 4.6344 7.3866 115.8392 55.4979 36.3305 176.4004 5 C 5.0220 7.7133 112.2301 58.3985 43.9785 174.8375 6 L 4.5177 7.9879 119.7148 56.2031 42.5389 177.0704 7 E 3.9547 8.2218 115.1041 56.0646 29.5289 175.1768 8 P 4.5843 0.0000 0.0000 61.0121 32.4627 173.9899 9 P 3.7291 0.0000 0.0000 63.3689 31.3334 175.5802 10 Y 4.4923 8.1708 122.4851 56.1531 40.7014 174.7387 11 T 4.2952 8.4409 125.4474 64.3036 69.0961 176.3810 12 G 4.1049 7.5825 108.1364 43.8196 0.0000 171.3990 13 P 4.3028 0.0000 0.0000 65.8435 31.4477 177.9948 14 C 4.5445 7.9498 115.7181 56.8132 40.6543 173.2329 15 K 4.6511 7.9947 118.2738 55.7449 33.0089 176.9498 16 A 3.9809 8.4106 122.9972 52.2488 18.8874 180.4972 17 R 4.2012 8.4482 126.9814 56.0362 29.5435 178.6833 18 I 4.2174 10.1711 120.4204 59.9383 37.3907 176.3329 19 I 4.0878 7.9673 127.3308 61.4371 38.1243 175.3142 20 R 4.8146 8.1755 123.4719 55.5544 35.3600 173.1406 21 Y 5.5858 9.3850 116.9812 56.9702 41.5462 175.1900 22 F 5.6114 9.8719 115.9754 56.2400 42.2974 172.1170 23 Y 4.5284 10.4565 121.3260 56.0539 40.0473 174.5171 24 N 4.6631 7.9249 126.9279 52.2854 37.5809 175.1312 25 A 3.7364 7.9000 127.7076 53.2397 18.9330 179.4236 26 K 3.9791 8.4814 117.1019 58.2442 32.3676 177.2778 27 A 4.5458 7.4657 115.5142 50.7913 20.5214 175.9054 28 G 3.9035 9.6401 103.5857 44.7285 0.0000 173.0708 29 L 4.6507 6.9994 118.2913 53.4522 45.7773 175.4303 30 C 4.7086 8.6861 121.4624 57.4843 37.3153 172.3594 31 Q 4.6307 8.4447 119.2157 55.6428 33.5136 173.5534 32 T 4.9987 8.3966 110.2725 61.2658 71.3950 173.7849 33 F 4.7449 8.3039 115.8437 56.7199 41.8551 172.0217 34 V 4.3231 8.5533 118.0245 61.3506 33.5479 174.4253 35 Y 4.9003 8.2354 129.5127 56.2416 39.6308 175.9208 36 G 4.1606 8.2915 115.3429 48.4886 0.0000 174.4410 37 G 3.0968 5.3800 109.1167 44.6752 0.0000 172.6978 38 C 5.0885 7.1161 112.9229 54.3982 44.9671 173.4645 39 R 3.6745 8.7529 117.2060 57.5230 26.8163 175.4854 40 A 4.5299 7.8096 119.9512 51.5542 20.3588 175.6299 41 K 4.5968 7.7948 115.9358 55.0291 35.9788 176.5535 42 R 3.9196 9.3450 118.2499 59.9330 29.8812 177.5666 43 N 4.8145 9.9400 117.9946 53.7402 36.8604 172.4839 44 N 4.8880 7.3771 119.1742 52.2454 42.4851 172.7560 45 F 5.0763 9.7225 124.2644 56.3735 43.8815 175.0303 46 K 4.6306 9.1206 117.6101 57.4573 34.3251 177.0294 47 S 3.4869 7.5488 112.7734 55.0720 67.3208 174.6043 48 A 3.9646 7.3429 124.5304 55.1417 18.1186 179.8252 49 E 3.8131 7.9590 116.6913 59.7615 29.5864 178.9277 50 D 4.2841 8.4038 118.8329 57.7798 40.9419 178.2477 51 C 2.4500 7.8135 118.4940 59.2817 41.7495 175.6425 52 M 3.8817 8.0865 120.5845 58.4461 31.4149 178.7724 53 R 3.9165 7.9979 117.2443 58.7739 30.2273 177.5102 54 T 4.3149 7.3737 114.2435 65.3227 69.7832 175.4279 55 C 4.6438 7.5561 119.0221 59.4522 44.1212 174.8683 56 G 3.3878 8.4608 107.9689 44.2543 0.0000 174.5210 57 G 4.0775 10.3523 114.9734 44.8283 0.0000 173.4277 58 A 4.0612 7.4955 125.6253 52.5508 19.0527 175.8243 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 1 R 8.15 4.20 0.00 1.73 1.82 0.00 2.63 0.00 0.00 3.98 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 2 P 0.00 4.23 0.00 1.17 1.77 0.00 2.85 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 3 D 8.42 4.37 0.00 2.84 2.91 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 0.00 0.00 0.00 4 F 7.39 4.63 0.00 3.21 3.21 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 0.00 5 C 7.71 5.02 0.00 2.96 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.52 0.00 1.67 1.72 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.22 3.95 0.00 2.09 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 0.00 2.31 2.38 0.00 8 P 0.00 4.58 0.00 2.20 2.13 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 9 P 0.00 3.73 0.00 1.70 1.09 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.84 0.00 10 Y 8.17 4.49 0.00 2.87 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 11 T 8.44 4.30 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 1.26 0.00 0.00 12 G 7.58 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 0.00 0.00 0.00 13 P 0.00 4.30 0.00 2.19 2.20 0.00 4.05 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 14 C 7.95 4.54 0.00 2.80 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 15 K 7.99 4.65 0.00 1.62 1.68 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.31 7.81 16 A 8.41 3.98 1.15 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 0.00 0.00 0.00 0.00 0.00 17 R 8.45 4.20 0.00 1.75 1.94 0.00 3.21 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 18 I 10.17 4.22 1.86 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 1.21 0.61 0.98 0.00 0.00 19 I 7.97 4.09 1.79 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 1.30 0.69 0.80 0.00 0.00 20 R 8.18 4.81 0.00 1.01 2.18 0.00 3.35 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 21 Y 9.38 5.59 0.00 3.22 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 22 F 9.87 5.61 0.00 3.01 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 23 Y 10.46 4.53 0.00 2.99 3.21 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 0.00 24 N 7.92 4.66 0.00 2.45 2.54 0.00 0.00 7.41 8.47 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 25 A 7.90 3.74 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 26 K 8.48 3.98 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.53 7.81 27 A 7.47 4.55 1.22 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 0.00 0.00 28 G 9.64 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 0.00 0.00 0.00 29 L 7.00 4.65 0.00 1.68 1.37 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.69 4.71 0.00 2.87 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 31 Q 8.44 4.63 0.00 1.62 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 32 T 8.40 5.00 4.07 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 0.00 0.00 0.97 0.00 0.00 33 F 8.30 4.74 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.55 4.32 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 0.68 0.00 0.00 0.85 0.00 0.00 35 Y 8.24 4.90 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.29 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 5.38 3.10 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 0.00 38 C 7.12 5.09 0.00 3.09 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 39 R 8.75 3.67 0.00 2.19 2.24 0.00 3.32 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 40 A 7.81 4.53 0.77 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 0.00 0.00 41 K 7.79 4.60 0.00 1.64 1.87 0.00 1.35 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.01 1.01 7.81 42 R 9.34 3.92 0.00 2.16 2.08 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 43 N 9.94 4.81 0.00 3.17 2.82 0.00 0.00 7.50 8.27 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 44 N 7.38 4.89 0.00 2.70 2.38 0.00 0.00 6.81 6.72 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 45 F 9.72 5.08 0.00 3.33 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 4.63 0.00 1.93 2.00 0.00 1.54 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 47 S 7.55 3.49 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.34 3.96 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 49 E 7.96 3.81 0.00 1.97 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 2.34 2.42 0.00 50 D 8.40 4.28 0.00 2.90 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 51 C 7.81 2.45 0.00 2.57 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 52 M 8.09 3.88 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.80 0.00 53 R 8.00 3.92 0.00 1.74 2.08 0.00 3.52 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 54 T 7.37 4.31 4.15 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 0.00 0.00 1.26 0.00 0.00 55 C 7.56 4.64 0.00 3.28 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 56 G 8.46 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 10.35 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.50 4.06 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00