NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2952 8.3049 120.3227 55.8948 32.3939 173.7359 2 M 3.0944 8.0794 123.4557 51.9926 31.8200 175.2821 3 I 3.2815 7.4136 115.2990 59.5831 39.1870 173.8373 4 P 4.1618 0.0000 0.0000 62.3715 31.4008 175.8695 5 I 3.5712 8.1190 124.2383 61.5742 38.4748 171.5249 6 R 4.0853 8.6491 134.0604 55.4816 30.1184 175.6153 7 C 3.9158 8.4496 123.1644 58.8503 32.2130 174.2780 8 F 4.3649 8.0933 125.6247 61.2204 38.5432 176.8536 9 T 4.1401 7.6889 116.3094 66.4740 68.9513 175.0094 10 C 4.2856 7.9837 115.5089 59.5372 42.2729 174.3464 11 G 3.7481 7.4847 107.9957 45.0172 0.0000 174.6194 12 S 4.2912 7.9879 114.4696 57.6278 63.7889 173.7827 13 L 4.3661 8.1767 121.7194 55.3182 42.3438 177.2196 14 I 4.3973 8.0504 118.4912 62.1991 40.2545 177.5532 15 A 3.9938 8.2094 123.0972 55.2061 18.2560 179.2245 16 D 4.4799 8.1319 113.6690 55.8655 38.2828 177.0720 17 K 4.5306 8.0205 118.1427 56.1805 32.5913 178.2133 18 W 4.3526 8.1349 130.4028 60.5598 30.5487 177.9449 19 Q 3.7533 8.4117 117.8331 58.6496 27.9217 177.4132 20 P 4.1952 0.0000 0.0000 65.6478 31.1408 178.1772 21 F 4.1814 7.6165 119.6762 61.2015 39.4996 177.3005 22 I 3.2533 7.1612 112.5150 63.8919 36.8726 178.2503 23 T 3.7508 7.3516 117.8191 66.1126 67.7887 176.4433 24 R 4.1342 7.4746 119.0296 57.7581 29.1920 179.0409 25 V 3.6256 7.1104 118.4448 65.8305 31.3218 177.7885 26 N 4.4256 7.7037 114.4492 55.5632 38.3010 177.2034 27 A 4.1818 7.2363 122.5155 54.0928 18.7347 178.7609 28 G 4.5784 6.2198 116.6608 46.1334 0.0000 172.1022 29 E 4.3068 7.1357 121.2871 54.6137 30.7638 175.9774 30 N 4.4278 8.5258 123.2469 52.9472 40.2323 174.2446 31 P 4.4336 0.0000 0.0000 65.8964 30.9798 178.8331 32 G 3.6606 8.5443 105.6560 47.8163 0.0000 175.7049 33 K 3.9611 8.0159 120.1600 58.2463 32.1344 179.5515 34 V 3.6441 7.6144 119.2807 66.0335 31.0044 178.0589 35 L 4.1406 7.9602 118.2884 57.4584 41.2292 178.8539 36 D 4.5463 7.5514 117.6232 56.5176 40.8920 177.6529 37 D 4.5003 7.6579 117.6598 55.6484 41.4983 176.4670 38 L 4.4503 7.0378 118.3873 53.6752 42.6515 176.6988 39 G 3.8411 8.2733 107.3440 45.8165 0.0000 174.2500 40 V 3.8930 7.0302 121.4609 61.7407 33.3537 174.3320 41 K 3.9340 9.0142 129.6712 58.0724 30.1812 180.3805 42 R 4.3268 8.9128 129.6847 56.1218 33.0559 175.2851 43 Y 4.2749 8.2655 117.5296 59.7858 37.7120 177.7283 44 C 3.9983 7.2594 116.6551 61.5924 29.7486 176.2656 45 C 4.3053 7.8806 117.0091 58.6673 34.5297 175.4752 46 R 3.8905 7.6026 121.1531 59.0241 29.4112 177.9428 47 R 3.9073 8.1857 118.7357 59.8923 29.7082 177.9182 48 M 3.9428 7.0715 114.1664 58.7633 32.1715 178.4653 49 L 4.2647 7.6277 117.8830 57.3211 41.8380 178.9260 50 L 4.4283 7.7184 116.4069 56.0870 41.7544 177.4449 51 S 4.7370 7.5356 111.4751 57.7976 63.9221 173.6698 52 H 4.6495 8.0577 121.2200 56.1742 30.3903 174.5837 53 I 4.2371 7.7190 124.4725 60.9373 39.6315 174.7606 54 D 4.1093 7.4210 118.5341 54.8735 38.4330 173.9439 55 I 3.6972 7.2094 113.4910 62.1945 38.8992 178.6130 56 I 3.6202 7.3599 122.6142 64.3703 37.7893 177.1819 57 S 4.6601 8.0267 111.1986 58.6148 62.6529 174.0895 58 E 4.5860 7.9763 121.8690 57.9070 31.4453 177.7408 59 V 3.9988 7.7217 117.9478 65.2721 32.1004 177.3620 60 I 3.7102 7.8472 120.2224 64.0396 38.2510 176.0731 61 H 4.6913 6.7688 116.5348 54.4356 27.5859 174.1402 62 Y 4.7375 7.1915 114.9007 59.2790 44.2611 177.6214 63 T 3.2361 7.9209 114.9652 64.7459 66.7312 171.8206 64 R 4.1921 8.4963 129.3237 57.5625 30.4676 174.4544 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 4.30 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 M 8.08 3.09 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 3 I 7.41 3.28 1.58 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.23 0.00 0.00 4 P 0.00 4.16 0.00 1.72 2.09 0.00 3.49 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 1.66 1.80 0.00 5 I 8.12 3.57 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.88 0.00 0.00 6 R 8.65 4.09 0.00 1.96 1.99 0.00 3.25 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 7 C 8.45 3.92 0.00 2.80 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 8 F 8.09 4.36 0.00 3.09 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 9 T 7.69 4.14 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 10 C 7.98 4.29 0.00 3.02 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 11 G 7.48 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.29 0.00 3.98 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 13 L 8.18 4.37 0.00 1.61 1.62 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.05 4.40 1.87 0.00 0.00 0.78 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 1.38 0.81 0.00 0.00 15 A 8.21 3.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.13 4.48 0.00 2.82 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 17 K 8.02 4.53 0.00 1.89 1.86 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.37 7.81 18 W 8.13 4.35 0.00 3.41 3.27 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 19 Q 8.41 3.75 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 20 P 0.00 4.20 0.00 2.28 2.31 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.05 0.00 21 F 7.62 4.18 0.00 3.10 3.15 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 22 I 7.16 3.25 1.41 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 -0.30 -0.36 0.55 0.00 0.00 23 T 7.35 3.75 4.12 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 1.13 0.00 0.00 24 R 7.47 4.13 0.00 1.71 1.88 0.00 3.09 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 25 V 7.11 3.63 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.13 0.00 0.00 26 N 7.70 4.43 0.00 2.70 2.79 0.00 0.00 7.05 7.20 0.00 0.00 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 A 7.24 4.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.22 4.58 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 0.00 0.00 0.00 29 E 7.14 4.31 0.00 1.91 1.91 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 2.27 2.22 0.00 30 N 8.53 4.43 0.00 2.79 2.69 0.00 0.00 6.83 7.71 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 31 P 0.00 4.43 0.00 2.55 2.37 0.00 3.77 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 2.14 2.09 0.00 32 G 8.54 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.02 3.96 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 34 V 7.61 3.64 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 1.10 0.00 0.00 0.99 0.00 0.00 35 L 7.96 4.14 0.00 1.73 1.70 0.92 1.16 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 36 D 7.55 4.55 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.66 4.50 0.00 2.68 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 38 L 7.04 4.45 0.00 1.65 1.60 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.27 3.84 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 0.00 0.00 0.00 40 V 7.03 3.89 2.20 0.00 0.00 0.00 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 0.90 0.00 0.00 41 K 9.01 3.93 0.00 1.75 1.40 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.37 7.81 42 R 8.91 4.33 0.00 1.68 1.63 0.00 2.99 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 43 Y 8.27 4.27 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.26 4.00 0.00 3.02 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.88 4.31 0.00 2.90 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 46 R 7.60 3.89 0.00 2.00 2.06 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 47 R 8.19 3.91 0.00 1.99 2.22 0.00 3.26 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 48 M 7.07 3.94 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 49 L 7.63 4.26 0.00 1.25 0.97 0.75 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.72 4.43 0.00 1.63 1.79 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.54 4.74 0.00 3.98 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 0.00 52 H 8.06 4.65 0.00 3.37 3.46 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.72 4.24 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.92 0.00 0.00 54 D 7.42 4.11 0.00 2.73 2.71 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 55 I 7.21 3.70 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.43 0.90 0.00 0.00 56 I 7.36 3.62 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.58 0.94 0.00 0.00 57 S 8.03 4.66 0.00 4.06 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 58 E 7.98 4.59 0.00 2.20 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 0.00 2.32 2.26 0.00 59 V 7.72 4.00 2.11 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 1.00 0.00 0.00 1.00 0.00 0.00 60 I 7.85 3.71 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.75 0.00 0.00 61 H 6.77 4.69 0.00 3.00 3.21 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.19 4.74 0.00 3.08 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 63 T 7.92 3.24 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 1.23 0.00 0.00 64 R 8.50 4.19 0.00 1.72 1.73 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00