NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4960 8.3049 120.3270 54.7027 32.9944 173.9680 2 K 4.4296 7.0115 120.1900 57.1179 39.7135 177.4477 3 A 4.0303 8.1040 124.2054 55.0739 19.6694 178.5952 4 K 4.0759 8.0136 116.3548 59.8276 32.7328 177.9787 5 E 3.9914 8.2522 117.0513 59.2045 29.6337 177.2588 6 L 3.6260 7.4855 119.6188 56.3927 42.1413 175.5985 7 R 3.7595 8.9517 127.8008 56.2191 27.1658 175.5850 8 E 4.4542 8.1925 117.7236 55.5653 31.0928 170.3833 9 K 4.0070 8.3387 126.8921 55.7936 33.2940 176.8232 10 S 4.1931 8.4710 121.5977 60.8165 62.6148 176.8976 11 V 3.6017 7.6285 120.3803 65.9915 31.7586 176.9738 12 E 4.0779 8.2562 117.8578 59.9137 29.3496 179.1775 13 E 3.9175 8.4554 118.9440 59.1050 29.8578 178.3603 14 L 4.0731 7.7278 120.0013 57.6231 41.6494 178.3191 15 N 4.3989 8.2689 116.8261 56.1829 38.5220 177.0016 16 T 3.9549 7.9163 116.4174 67.9838 68.8549 175.1306 17 E 3.4495 8.4588 116.3206 59.3469 29.6419 178.3749 18 L 3.9019 7.9054 119.0751 58.6649 42.6390 179.5444 19 L 4.0454 8.9724 119.3008 58.0398 41.4813 178.8995 20 N 4.3116 9.6830 116.3047 57.0542 38.5056 176.6675 21 L 3.9206 8.3574 118.7592 57.2405 41.6483 180.5321 22 L 3.1720 9.0460 114.7718 56.6880 43.5801 180.9934 23 R 4.3515 7.3444 116.1265 56.7375 30.0262 180.3925 24 E 3.4544 7.9406 125.3705 58.8470 30.8463 178.3062 25 Q 3.9505 9.2410 119.5629 59.5091 29.3243 179.1944 26 F 4.0679 8.2694 121.2415 61.2507 39.4265 176.9303 27 N 4.3489 8.1536 116.1629 56.4140 38.3820 176.9311 28 L 4.2395 8.4512 120.7111 58.1048 41.7836 179.5575 29 R 3.8007 7.9210 117.8797 59.9088 29.7942 178.1496 30 M 3.7594 7.8140 117.0982 58.5169 31.9872 178.4213 31 Q 4.1239 9.2233 121.5915 58.5000 29.1048 177.6306 32 A 4.1365 8.3594 120.9279 55.5076 18.6706 179.0802 33 A 4.1080 8.5495 119.4138 54.9656 18.3912 178.8441 34 S 4.6274 8.0557 112.5251 59.1069 64.0858 175.9966 35 G 4.1888 8.2397 115.2446 47.1277 0.0000 175.6888 36 Q 4.0640 7.5637 119.9392 56.1986 29.6815 172.1091 37 L 3.7727 8.4226 130.3328 56.0135 40.3645 174.7779 38 Q 4.2442 8.6469 125.4111 57.6776 29.7185 177.2665 39 Q 4.5269 7.6102 117.9841 53.9789 27.5919 175.5972 40 S 4.1147 8.2502 121.6435 62.7321 63.0192 176.0972 41 H 4.2277 8.4771 117.7497 58.1121 27.6195 177.1654 42 L 4.0495 7.5874 121.8405 58.0024 41.2583 178.8144 43 L 4.0926 8.1240 119.0978 58.4738 41.6584 178.5155 44 K 3.8561 7.9309 117.4170 58.6851 31.7533 177.4360 45 Q 4.2792 7.3422 118.5390 57.3248 28.8906 174.8701 46 V 3.3743 7.9274 119.4442 62.8196 31.1477 173.0140 47 R 3.7684 7.6671 117.0023 59.8833 30.3908 178.8612 48 R 4.0344 7.9227 116.8162 58.8594 30.3085 178.3695 49 D 4.3546 8.1269 118.2271 57.5247 40.8805 178.6250 50 V 3.5126 8.4060 119.1400 66.2354 31.3296 177.5071 51 A 4.0014 7.5504 119.5511 55.4791 18.1666 179.6477 52 R 3.8248 8.0131 116.0303 59.6684 30.0140 179.2227 53 V 3.5727 7.8558 116.8577 65.9837 31.4405 177.4066 54 K 4.3406 7.8647 115.7012 57.8893 32.8126 178.6202 55 T 3.9988 8.0840 117.3905 65.1888 68.6436 174.2724 56 L 4.0545 7.2059 121.0029 56.8113 42.2346 176.3019 57 L 4.1598 9.1152 122.0854 54.7986 41.0861 174.5709 58 N 4.9013 7.7080 113.2506 53.0012 39.3288 174.3449 59 E 4.5543 7.9708 113.8587 57.5711 31.9301 177.4761 60 K 3.9166 8.3371 119.5442 59.1563 32.6462 176.8876 61 A 4.2783 7.5363 120.9518 51.7089 19.4355 178.3486 62 G 3.9764 8.8386 105.2314 46.2556 0.0000 173.9759 63 A 4.1895 7.8665 127.3497 52.4046 19.3644 175.8371 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 4.50 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 2 K 7.01 4.43 0.00 1.89 1.67 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.56 7.81 3 A 8.10 4.03 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 4 K 8.01 4.08 0.00 1.73 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 5 E 8.25 3.99 0.00 2.00 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 0.00 2.31 2.30 0.00 6 L 7.49 3.63 0.00 1.78 1.66 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.95 3.76 0.00 1.96 1.94 0.00 3.37 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 8 E 8.19 4.45 0.00 2.11 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 9 K 8.34 4.01 0.00 2.05 1.79 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.50 7.81 10 S 8.47 4.19 0.00 3.90 3.89 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 11 V 7.63 3.60 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 0.87 0.00 0.00 0.93 0.00 0.00 12 E 8.26 4.08 0.00 2.42 1.97 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 2.41 2.41 0.00 13 E 8.46 3.92 0.00 2.21 1.94 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 2.31 2.31 0.00 14 L 7.73 4.07 0.00 1.92 1.65 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.27 4.40 0.00 3.06 2.80 0.00 0.00 6.79 6.56 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 16 T 7.92 3.95 4.24 0.00 0.00 0.00 0.00 0.00 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 8.46 3.45 0.00 2.09 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 2.32 2.45 0.00 18 L 7.91 3.90 0.00 1.89 1.81 0.90 0.69 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 19 L 8.97 4.05 0.00 1.77 1.71 0.91 0.66 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 20 N 9.68 4.31 0.00 3.06 2.86 0.00 0.00 6.99 6.62 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 21 L 8.36 3.92 0.00 1.86 1.67 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.05 3.17 0.00 1.70 1.57 0.84 0.99 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 23 R 7.34 4.35 0.00 1.99 0.98 0.00 3.37 0.00 0.00 3.18 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 24 E 7.94 3.45 0.00 2.18 1.86 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 2.40 2.31 0.00 25 Q 9.24 3.95 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 26 F 8.27 4.07 0.00 3.17 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 27 N 8.15 4.35 0.00 2.83 2.91 0.00 0.00 7.07 6.59 0.00 0.00 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 8.45 4.24 0.00 1.96 1.72 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.92 3.80 0.00 2.05 1.86 0.00 2.97 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 30 M 7.81 3.76 0.00 1.79 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.54 0.00 31 Q 9.22 4.12 0.00 1.97 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 32 A 8.36 4.14 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 33 A 8.55 4.11 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.06 4.63 0.00 4.06 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 35 G 8.24 4.19 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 0.00 0.00 0.00 36 Q 7.56 4.06 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.90 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 37 L 8.42 3.77 0.00 1.82 1.73 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.65 4.24 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 39 Q 7.61 4.53 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 40 S 8.25 4.11 0.00 4.07 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 0.00 41 H 8.48 4.23 0.00 3.45 3.62 0.00 5.67 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 42 L 7.59 4.05 0.00 1.73 1.72 0.69 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.12 4.09 0.00 1.70 1.72 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.93 3.86 0.00 1.92 1.89 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 45 Q 7.34 4.28 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.62 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 46 V 7.93 3.37 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 0.91 0.00 0.00 0.95 0.00 0.00 47 R 7.67 3.77 0.00 2.28 2.05 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 48 R 7.92 4.03 0.00 1.90 1.95 0.00 3.36 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 49 D 8.13 4.35 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 3.51 2.37 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 1.01 0.00 0.00 0.97 0.00 0.00 51 A 7.55 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.82 0.00 2.02 2.00 0.00 3.27 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 53 V 7.86 3.57 2.29 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 0.83 0.00 0.00 1.01 0.00 0.00 54 K 7.86 4.34 0.00 1.77 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.69 7.81 55 T 8.08 4.00 4.37 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 1.21 0.00 0.00 56 L 7.21 4.05 0.00 1.80 1.85 0.99 1.25 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 57 L 9.12 4.16 0.00 2.01 2.21 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.71 4.90 0.00 2.77 2.77 0.00 0.00 7.02 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 59 E 7.97 4.55 0.00 2.05 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 2.22 2.39 0.00 60 K 8.34 3.92 0.00 1.77 1.90 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 A 7.54 4.28 1.34 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 0.00 0.00 62 G 8.84 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.87 4.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00