NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6483 8.3049 118.1950 54.6603 34.2991 174.1477 2 K 4.2190 7.3204 124.0876 56.3234 37.9790 177.1504 3 A 4.4209 9.6868 135.0000 53.9434 20.2242 179.6666 4 K 3.7789 8.0813 114.4943 59.0133 32.7686 177.5395 5 E 4.5659 7.3312 120.2813 54.3355 28.1229 176.4701 6 L 4.4204 7.8671 117.9959 54.4349 46.5079 176.8345 7 R 3.8067 8.7683 124.7470 57.9916 28.4513 176.5173 8 E 4.4518 7.7111 111.9119 55.2387 29.6305 174.0682 9 K 3.5202 8.0578 122.2121 57.0559 31.6408 174.8217 10 S 4.2298 8.5788 120.7584 61.4660 62.0127 175.5732 11 V 3.7702 7.7301 118.5138 64.7219 31.5649 176.8353 12 E 4.2406 8.5749 118.3680 59.6537 29.6590 178.1297 13 E 4.3365 7.9393 119.8205 58.5396 29.2747 179.6758 14 L 3.9739 7.8077 118.6194 57.8958 41.9251 178.0742 15 N 4.7736 7.9595 112.6267 54.0503 38.6906 176.1464 16 T 4.2551 7.5460 116.7042 66.0022 69.4035 177.2894 17 E 4.2181 7.9868 120.0833 58.7612 29.8493 178.9746 18 L 3.9445 7.5114 120.5322 57.4306 42.0526 177.4792 19 L 4.5523 8.0411 115.8542 54.5878 41.6485 177.2150 20 N 4.5418 7.7895 117.8585 55.9937 38.9505 176.8288 21 L 4.2996 7.6663 116.3691 55.6524 42.2788 178.7566 22 L 4.2834 7.3443 121.3166 54.6529 42.7892 176.8113 23 R 3.8073 8.8526 114.4048 59.9331 30.0530 178.2303 24 E 4.1744 8.2075 115.1477 57.9321 29.9064 177.0393 25 Q 4.4550 7.8613 118.4936 56.6813 31.5949 177.0833 26 F 4.0977 9.4103 120.0503 61.4839 39.8014 176.8833 27 N 4.4103 8.5475 115.9078 55.5655 38.3220 177.3090 28 L 3.9882 7.8579 121.8098 58.0897 41.9936 178.4193 29 R 4.1112 7.7089 114.6110 56.5774 29.7419 176.4445 30 M 4.5295 7.8151 117.2119 55.2167 32.9483 176.5906 31 Q 4.3481 7.9154 115.5356 55.7987 30.7187 177.0484 32 A 4.1868 7.9928 117.8058 52.9274 18.5431 177.1770 33 A 4.5107 8.1419 118.9090 54.5496 22.3135 178.9909 34 S 4.2309 7.6643 108.3603 58.9038 63.2104 174.5575 35 G 4.0259 7.6298 108.4093 46.7066 0.0000 173.0129 36 Q 4.4588 7.0747 114.7426 54.6931 33.1892 173.0313 37 L 3.4428 8.4790 124.4914 55.1517 41.0207 174.7227 38 Q 4.3627 8.5378 120.7937 56.3010 29.6419 177.4248 39 Q 4.3320 7.5948 118.7705 54.8571 26.2342 176.2054 40 S 4.1009 8.4239 118.6306 62.0397 63.4812 176.4603 41 H 4.4057 8.1497 114.0491 56.8285 27.8543 176.8559 42 L 3.8287 7.9094 124.0501 58.3759 42.0460 178.1041 43 L 4.0951 7.2012 116.6175 57.8937 41.4821 178.9507 44 K 4.0027 8.1414 118.6416 59.0645 32.0460 176.6988 45 Q 4.2837 8.3523 117.5585 56.0217 29.3735 176.6918 46 V 3.3879 8.4025 115.2078 63.5426 29.8336 171.5833 47 R 4.4082 6.9964 115.5940 56.6744 33.0958 177.2870 48 R 3.6979 7.3590 116.4927 59.9948 30.6321 178.5192 49 D 4.4431 8.0693 117.6425 56.9542 41.0759 178.6469 50 V 3.6320 8.8787 119.7754 65.3913 31.5029 177.3603 51 A 4.2291 7.8379 119.3377 53.8396 18.2120 179.1502 52 R 4.1581 8.0989 117.1326 58.1925 30.6464 178.5011 53 V 3.7716 7.7214 115.4664 64.4125 31.7226 176.4209 54 K 4.4049 7.4374 115.3097 59.0604 33.0434 178.2133 55 T 3.8593 8.0677 116.0403 66.8601 68.3005 176.6757 56 L 4.1411 7.8861 118.5517 56.6619 41.4782 178.4471 57 L 4.2461 7.6664 119.5307 56.6618 42.2906 177.7747 58 N 4.4950 8.1631 116.8544 55.8733 38.4995 176.4181 59 E 4.2863 7.6330 115.5977 57.3771 29.6201 176.6055 60 K 4.1878 7.4885 120.0476 56.8711 32.6276 176.3746 61 A 4.2320 7.8761 121.7803 51.8832 18.4453 178.8578 62 G 4.1627 9.8952 112.9906 46.2455 0.0000 172.7123 63 A 4.1627 7.8060 126.1017 52.4390 19.3549 175.5490 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 4.65 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 K 7.32 4.22 0.00 1.80 0.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 A 9.69 4.42 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 4 K 8.08 3.78 0.00 1.74 1.90 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.53 7.81 5 E 7.33 4.57 0.00 2.04 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 2.32 2.44 0.00 6 L 7.87 4.42 0.00 1.68 1.53 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.77 3.81 0.00 1.93 1.97 0.00 3.17 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 8 E 7.71 4.45 0.00 2.06 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 2.15 2.19 0.00 9 K 8.06 3.52 0.00 1.97 2.01 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.52 7.81 10 S 8.58 4.23 0.00 3.92 3.86 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 11 V 7.73 3.77 2.08 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 0.93 0.00 0.00 0.93 0.00 0.00 12 E 8.57 4.24 0.00 2.19 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 2.29 2.44 0.00 13 E 7.94 4.34 0.00 2.13 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 0.00 2.34 2.37 0.00 14 L 7.81 3.97 0.00 1.70 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.96 4.77 0.00 2.75 2.84 0.00 0.00 7.06 7.36 0.00 0.00 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 T 7.55 4.26 4.39 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 1.21 0.00 0.00 17 E 7.99 4.22 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 18 L 7.51 3.94 0.00 1.78 1.85 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.04 4.55 0.00 1.75 1.67 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.79 4.54 0.00 2.99 2.81 0.00 0.00 6.98 6.28 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 21 L 7.67 4.30 0.00 1.65 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.34 4.28 0.00 1.81 1.69 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.85 3.81 0.00 1.93 2.34 0.00 3.47 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 24 E 8.21 4.17 0.00 1.98 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 0.00 2.33 2.31 0.00 25 Q 7.86 4.46 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 26 F 9.41 4.10 0.00 3.08 3.17 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 27 N 8.55 4.41 0.00 3.06 2.89 0.00 0.00 6.73 6.31 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 28 L 7.86 3.99 0.00 1.73 1.71 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.71 4.11 0.00 1.84 1.80 0.00 3.15 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 30 M 7.82 4.53 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 31 Q 7.92 4.35 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 32 A 7.99 4.19 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.14 4.51 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.66 4.23 0.00 3.89 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 35 G 7.63 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.07 4.46 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 6.04 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 37 L 8.48 3.44 0.00 1.92 1.65 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.54 4.36 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.47 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 39 Q 7.59 4.33 0.00 2.07 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 40 S 8.42 4.10 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 4.41 0.00 3.54 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.91 3.83 0.00 1.79 1.62 0.88 0.99 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 43 L 7.20 4.10 0.00 1.67 1.73 0.90 0.90 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 44 K 8.14 4.00 0.00 1.88 2.03 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.63 7.81 45 Q 8.35 4.28 0.00 2.44 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 5.87 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 46 V 8.40 3.39 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 0.80 0.00 0.00 1.00 0.00 0.00 47 R 7.00 4.41 0.00 2.08 1.79 0.00 3.19 0.00 0.00 3.17 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 48 R 7.36 3.70 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 49 D 8.07 4.44 0.00 2.69 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 50 V 8.88 3.63 2.18 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 1.06 0.00 0.00 1.02 0.00 0.00 51 A 7.84 4.23 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 52 R 8.10 4.16 0.00 2.06 1.97 0.00 3.25 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 53 V 7.72 3.77 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 0.94 0.00 0.00 1.01 0.00 0.00 54 K 7.44 4.40 0.00 2.05 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.67 7.81 55 T 8.07 3.86 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 1.21 0.00 0.00 56 L 7.89 4.14 0.00 1.77 1.73 0.92 0.87 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 57 L 7.67 4.25 0.00 1.71 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.16 4.50 0.00 3.06 2.84 0.00 0.00 6.58 7.28 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 59 E 7.63 4.29 0.00 2.15 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 0.00 2.41 2.31 0.00 60 K 7.49 4.19 0.00 1.72 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.38 7.81 61 A 7.88 4.23 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 62 G 9.90 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 63 A 7.81 4.16 1.20 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 0.00 0.00