NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4596 8.3049 120.3500 55.4517 33.4964 176.6167 2 L 4.3071 7.7562 114.3413 53.0571 41.4221 177.2407 3 T 4.2287 8.0104 109.6042 62.8348 70.7802 176.3427 4 R 3.6908 7.8873 122.0223 58.9419 30.0743 176.5556 5 F 3.1381 7.7111 114.2702 56.6831 38.8797 175.7664 6 L 4.5010 7.1645 122.6671 53.7144 41.0969 176.2970 7 G 4.1448 8.2701 109.1968 42.1268 0.0000 169.8975 8 P 4.2778 0.0000 0.0000 65.7344 31.2042 178.8641 9 R 3.8730 7.8309 116.5514 59.7775 30.0160 177.8787 10 Y 4.2505 7.5568 115.9016 61.2041 37.9534 178.5365 11 R 4.0955 8.2850 119.6304 59.4881 30.1469 178.6618 12 Q 4.0660 8.1259 118.0062 58.6198 28.5159 178.3744 13 L 4.0840 8.6895 120.1897 57.7685 41.5098 179.1968 14 A 4.1639 8.4237 119.5535 55.6455 18.6417 179.7064 15 R 4.0730 7.9650 115.8302 59.3701 29.8512 179.0455 16 N 4.3112 8.1203 115.7328 55.5791 38.7430 176.3739 17 W 4.7123 7.7740 118.6372 56.6725 29.4576 178.7474 18 V 3.6446 7.6525 120.4204 65.7555 30.9805 176.1097 19 P 4.2922 0.0000 0.0000 66.0116 31.2084 178.5206 20 T 4.0555 8.0339 113.4855 66.9310 68.3210 176.3186 21 A 4.1796 8.1052 121.1042 55.3792 18.6019 179.1517 22 Q 4.0773 8.4623 118.3852 59.3565 29.2676 178.2122 23 L 4.2500 8.5360 120.3851 57.4314 41.8982 179.0500 24 W 4.1442 8.7021 127.5681 58.9548 30.6204 177.7905 25 G 3.8969 8.6173 105.4955 46.8483 0.0000 175.8983 26 A 3.9806 7.8906 122.6398 55.1433 18.5289 179.5124 27 V 3.4949 7.6612 116.9349 66.1992 31.4821 178.5390 28 G 3.6248 7.6934 103.8578 47.7029 0.0000 175.3616 29 A 4.0625 8.4204 123.6198 54.9062 18.4766 179.5302 30 V 3.6861 7.9738 115.7309 66.2409 31.6973 178.6949 31 G 3.7587 8.2113 105.1352 47.7226 0.0000 175.4398 32 L 3.9973 8.4032 123.3612 58.1875 42.2079 178.5323 33 V 3.8318 8.6907 118.3017 66.4218 31.3187 177.4013 34 W 4.3415 9.2258 127.6219 60.8483 30.3582 178.1162 35 A 3.3662 8.0756 119.5457 53.9889 17.9008 178.6514 36 T 4.1392 7.6134 105.3485 60.2106 70.4952 174.3810 37 D 4.2227 7.3975 119.7794 55.3047 38.7122 175.1348 38 W 4.4957 8.3078 128.5018 57.4504 30.3482 176.1503 39 R 3.9509 9.1676 122.9118 59.2111 28.0232 178.0250 40 L 3.8636 7.6025 118.3461 58.1958 42.7659 178.3577 41 I 3.7199 7.2502 117.5997 64.5232 37.3944 178.3024 42 L 4.0815 8.3253 119.8795 58.0899 41.2596 179.0921 43 D 4.4631 7.7358 117.6341 57.5896 40.8074 178.9152 44 W 3.9892 8.0798 127.4971 58.8706 30.9211 176.9439 45 V 3.7129 7.8183 119.5888 62.4432 31.1669 173.4300 46 P 4.1215 0.0000 0.0000 65.9775 31.9448 176.5549 47 Y 4.4196 7.6478 118.9964 57.6243 40.9239 176.2018 48 I 3.1459 7.4927 120.4646 62.1322 34.7349 174.3684 49 N 4.6179 7.1383 119.3396 52.3205 36.6644 174.5200 50 G 4.0989 8.0553 108.1265 45.3389 0.0000 171.7396 51 K 4.5943 7.9574 115.8735 55.5131 33.6835 176.0736 52 F 4.7958 8.2799 115.0286 55.2921 40.0485 175.8728 53 K 4.4158 7.2933 118.7283 56.0068 31.3198 176.2545 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 M 8.30 4.46 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 7.76 4.31 0.00 1.78 1.75 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.01 4.23 4.22 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 1.21 0.00 0.00 4 R 7.89 3.69 0.00 1.53 1.61 0.00 2.89 0.00 0.00 2.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 5 F 7.71 3.14 0.00 2.77 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.16 4.50 0.00 1.68 1.67 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.27 4.14 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 0.00 0.00 0.00 8 P 0.00 4.28 0.00 2.15 2.13 0.00 3.64 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 2.12 2.18 0.00 9 R 7.83 3.87 0.00 1.69 1.48 0.00 3.06 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.57 0.00 10 Y 7.56 4.25 0.00 3.41 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 11 R 8.28 4.10 0.00 2.14 2.13 0.00 3.13 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 12 Q 8.13 4.07 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 13 L 8.69 4.08 0.00 2.02 1.89 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.42 4.16 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 15 R 7.97 4.07 0.00 1.91 2.01 0.00 3.16 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 16 N 8.12 4.31 0.00 2.84 2.54 0.00 0.00 7.01 7.77 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 17 W 7.77 4.71 0.00 3.37 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 3.64 2.32 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 1.07 0.00 0.00 1.03 0.00 0.00 19 P 0.00 4.29 0.00 2.20 2.11 0.00 3.83 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 2.09 2.20 0.00 20 T 8.03 4.06 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 21 A 8.11 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.46 4.08 0.00 2.20 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 23 L 8.54 4.25 0.00 2.17 1.80 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.70 4.14 0.00 3.74 3.11 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 0.00 25 G 8.62 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 26 A 7.89 3.98 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 27 V 7.66 3.49 1.77 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 0.71 0.00 0.00 0.45 0.00 0.00 28 G 7.69 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 4.06 1.42 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 0.00 0.00 0.00 30 V 7.97 3.69 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 0.93 0.00 0.00 0.98 0.00 0.00 31 G 8.21 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 0.00 0.00 0.00 32 L 8.40 4.00 0.00 1.94 1.99 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.69 3.83 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.22 0.00 0.00 34 W 9.23 4.34 0.00 3.39 3.38 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 35 A 8.08 3.37 1.28 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 0.00 0.00 0.00 36 T 7.61 4.14 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 1.05 0.00 0.00 37 D 7.40 4.22 0.00 2.87 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 38 W 8.31 4.50 0.00 3.44 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 9.17 3.95 0.00 2.15 2.31 0.00 3.18 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 40 L 7.60 3.86 0.00 1.47 1.01 0.56 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.25 3.72 1.82 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.27 0.77 0.00 0.00 42 L 8.33 4.08 0.00 1.90 1.80 1.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.74 4.46 0.00 2.93 2.84 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 44 W 8.08 3.99 0.00 3.50 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 45 V 7.82 3.71 2.21 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 0.89 0.00 0.00 1.02 0.00 0.00 46 P 0.00 4.12 0.00 2.11 2.09 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 47 Y 7.65 4.42 0.00 2.92 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 48 I 7.49 3.15 1.92 0.00 0.00 0.98 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 0.72 0.97 0.00 0.00 49 N 7.14 4.62 0.00 2.58 2.71 0.00 0.00 6.82 7.53 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 50 G 8.06 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 51 K 7.96 4.59 0.00 1.75 1.78 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.42 7.81 52 F 8.28 4.80 0.00 3.12 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 53 K 7.29 4.42 0.00 0.81 1.33 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.39 7.81