NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1431 8.2549 117.2613 54.8271 30.9447 175.1674 2 P 4.0150 0.0000 0.0000 62.3308 32.0056 176.0184 3 D 4.3485 8.3481 121.0552 57.2479 42.0629 178.6160 4 F 4.3149 7.8765 113.7202 59.6551 37.8388 177.4432 5 C 4.6641 7.3712 117.4155 58.7339 39.8845 174.0367 6 L 4.3879 7.8630 118.6393 54.7612 42.2167 176.8903 7 E 4.1988 8.2097 119.5334 55.3932 29.9485 175.0602 8 P 4.5716 0.0000 0.0000 61.0039 32.5724 174.2335 9 P 3.5465 0.0000 0.0000 62.6998 31.3058 175.2140 10 Y 4.6360 7.8283 121.6936 56.0406 40.3348 175.2943 11 T 4.2177 8.3222 125.4044 64.9624 68.8825 176.2088 12 G 3.7071 6.9062 104.7269 44.0021 0.0000 171.4149 13 P 4.2739 0.0000 0.0000 65.1758 31.9087 177.8275 14 C 4.4741 7.8666 116.4956 56.6550 40.6485 173.9543 15 K 4.0331 8.2252 118.8669 57.3443 33.1583 176.7587 16 A 4.1503 7.7012 122.6245 52.0243 19.8038 176.8947 17 R 4.9288 8.0897 117.0278 54.2330 30.1849 174.2858 18 I 4.4016 8.4497 122.6423 59.4769 39.9712 175.1168 19 I 4.3578 8.1330 126.9282 61.1007 38.0671 175.3214 20 R 4.6371 8.3023 124.2731 54.8342 35.2169 173.4083 21 Y 5.7298 9.2858 117.7374 56.8705 41.4433 175.1670 22 F 5.6766 9.3003 115.5873 55.7883 42.1046 172.7165 23 Y 4.6143 9.9958 123.1680 57.1728 40.0112 174.1750 24 N 4.7186 8.5734 126.9151 51.6825 38.2717 174.9262 25 A 3.7683 8.4887 128.7746 55.0661 18.7118 178.7769 26 K 3.9396 8.2354 113.1745 59.3495 32.1252 177.9335 27 A 4.1790 8.0681 119.4242 51.6316 19.5040 176.9200 28 G 3.9726 7.8819 104.2300 45.3480 0.0000 172.9644 29 L 4.6152 6.6016 117.8536 53.7641 46.1204 174.8707 30 C 5.0518 8.6537 120.5983 56.2449 42.2942 172.7979 31 Q 4.8123 8.5605 121.1084 54.4759 33.3841 174.2127 32 T 5.5306 8.7209 110.3110 60.7080 70.9043 173.7249 33 F 4.9013 8.1302 115.1438 56.1774 41.1975 172.8281 34 V 4.3540 8.4693 120.3526 62.0751 32.1973 174.3050 35 Y 4.7520 8.9989 130.9467 56.3685 40.2412 176.4146 36 G 3.8517 8.1723 113.1332 46.1498 0.0000 175.1383 37 G 3.8677 6.5590 107.0436 45.3190 0.0000 172.1642 38 C 4.8523 7.1079 111.8904 54.8647 44.5354 173.0828 39 R 3.7872 8.7259 115.9840 57.2655 27.1107 176.8882 40 A 4.3589 8.2055 118.5769 52.3359 19.2489 177.7541 41 K 4.4585 8.1339 119.6199 54.4074 34.5409 177.1067 42 R 3.4767 8.1769 118.1955 59.2602 30.1260 177.5868 43 N 4.7779 7.5540 117.4496 51.4987 36.7717 173.7203 44 N 5.0505 7.0040 117.2235 52.7415 41.7385 173.2745 45 F 4.9435 9.7011 126.2410 55.5764 41.6128 177.0507 46 K 4.0658 9.1829 124.3594 58.2326 32.8649 177.2039 47 S 4.7809 8.0187 112.8443 56.0112 65.0368 174.2663 48 A 3.2005 7.9892 130.6389 54.8221 18.1667 179.0718 49 E 3.7291 7.9180 117.3012 59.7027 29.6462 178.7618 50 D 4.2670 7.7791 118.7781 57.1876 40.8018 177.8717 51 C 2.4500 7.5129 118.9806 59.3040 44.5822 175.6944 52 M 3.9304 7.7343 118.3866 58.0127 30.4873 178.3514 53 R 3.8536 7.4323 119.1643 59.2718 30.3552 178.2354 54 T 4.0138 7.6673 114.7839 66.2554 68.6761 175.4571 55 C 4.4365 8.0501 115.9953 56.9351 41.4927 174.2049 56 G 3.5367 7.5047 113.8629 45.5236 0.0000 173.3337 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 8.25 4.14 0.00 1.75 1.83 0.00 3.03 0.00 0.00 3.04 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 2 P 0.00 4.02 0.00 1.05 1.53 0.00 3.32 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 1.89 2.01 0.00 3 D 8.35 4.35 0.00 2.76 2.72 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 0.00 0.00 0.00 0.00 4 F 7.88 4.31 0.00 3.36 3.34 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 5 C 7.37 4.66 0.00 2.96 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 6 L 7.86 4.39 0.00 1.80 1.75 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.21 4.20 0.00 2.05 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 0.00 2.39 2.49 0.00 8 P 0.00 4.57 0.00 2.08 2.02 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 9 P 0.00 3.55 0.00 0.82 0.49 0.00 3.31 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.00 10 Y 7.83 4.64 0.00 2.75 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 11 T 8.32 4.22 4.13 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 0.00 0.00 0.00 1.21 0.00 0.00 12 G 6.91 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 2.17 2.19 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 14 C 7.87 4.47 0.00 2.94 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 15 K 8.23 4.03 0.00 1.78 1.86 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.43 7.81 16 A 7.70 4.15 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 17 R 8.09 4.93 0.00 1.60 1.78 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.45 4.40 1.85 0.00 0.00 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 1.22 0.83 0.92 0.00 0.00 19 I 8.13 4.36 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.39 0.59 0.00 0.00 20 R 8.30 4.64 0.00 0.67 1.75 0.00 3.39 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 21 Y 9.29 5.73 0.00 3.21 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 22 F 9.30 5.68 0.00 3.06 3.07 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 0.00 23 Y 10.00 4.61 0.00 3.16 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 24 N 8.57 4.72 0.00 2.26 2.47 0.00 0.00 6.62 8.11 0.00 0.00 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 8.49 3.77 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 26 K 8.24 3.94 0.00 1.93 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 27 A 8.07 4.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 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 0.00 0.00 0.00 0.00 29 L 6.60 4.62 0.00 1.52 1.31 0.89 0.92 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 8.65 5.05 0.00 2.90 3.08 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 31 Q 8.56 4.81 0.00 1.53 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 32 T 8.72 5.53 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 33 F 8.13 4.90 0.00 2.98 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 34 V 8.47 4.35 2.09 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 9.00 4.75 0.00 2.51 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 36 G 8.17 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.56 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 C 7.11 4.85 0.00 3.05 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 39 R 8.73 3.79 0.00 2.12 2.33 0.00 3.32 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 40 A 8.21 4.36 1.08 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 41 K 8.13 4.46 0.00 1.71 1.80 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.11 1.11 7.81 42 R 8.18 3.48 0.00 1.41 0.66 0.00 2.80 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.35 0.00 43 N 7.55 4.78 0.00 3.17 2.84 0.00 0.00 6.95 7.67 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 44 N 7.00 5.05 0.00 2.71 2.56 0.00 0.00 7.10 7.02 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 45 F 9.70 4.94 0.00 3.14 3.13 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 0.00 0.00 0.00 0.00 46 K 9.18 4.07 0.00 1.78 1.93 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.50 7.81 47 S 8.02 4.78 0.00 3.93 3.91 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 48 A 7.99 3.20 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.73 0.00 1.96 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 2.32 2.34 0.00 50 D 7.78 4.27 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 51 C 7.51 2.45 0.00 2.79 3.01 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 52 M 7.73 3.93 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 53 R 7.43 3.85 0.00 1.83 1.88 0.00 3.22 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 54 T 7.67 4.01 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 1.54 0.00 0.00 55 C 8.05 4.44 0.00 2.56 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 0.00 0.00 0.00 56 G 7.50 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00