NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5653 0.0000 0.0000 62.6681 33.6113 174.8019 2 M 5.2922 8.6001 120.3784 53.4090 35.6243 173.3980 3 I 4.9584 9.1507 124.1348 59.5827 41.5957 174.4069 4 S 5.1606 8.7865 118.7854 56.8287 66.6207 172.8479 5 C 4.8248 9.0443 121.9133 57.9256 34.1997 172.2254 6 D 5.3887 8.8261 126.7436 53.6349 41.8014 175.7914 7 M 4.5955 9.1558 121.9318 53.6017 36.2318 173.7222 8 A 4.2021 7.8523 126.0910 52.1072 19.1032 177.0424 9 Y 4.4621 8.3472 119.2666 59.4718 38.2994 176.2763 10 G 3.7786 8.1070 107.0535 45.7468 0.0000 175.1115 11 R 4.2226 7.8402 119.8838 56.1079 30.8619 177.1258 12 T 4.2751 8.7102 112.9324 61.1351 71.0598 175.7381 13 D 4.3415 8.5094 120.8350 57.4368 40.7724 178.4080 14 E 3.9262 8.2536 119.2783 59.6962 29.4676 178.9009 15 Q 4.0028 8.1487 117.7488 58.9147 28.7298 178.9306 16 K 4.0643 8.1704 119.5818 59.3821 31.9796 179.6267 17 R 3.9249 8.4677 118.5971 59.2064 30.0174 178.9427 18 A 3.9516 8.1666 120.5599 54.9631 18.3269 179.2368 19 L 3.8727 8.2588 119.4716 58.4590 42.1418 179.4519 20 S 3.7256 8.3324 113.8885 61.2626 62.9549 176.1551 21 A 4.0208 8.3359 124.9191 54.7287 18.1091 179.9583 22 G 3.4258 8.1489 104.1415 47.9140 0.0000 175.9088 23 L 3.8589 7.9857 122.3050 57.4982 41.5700 179.7883 24 L 3.9202 7.9080 118.8895 57.3855 41.4503 179.3846 25 R 3.8241 7.8929 118.7569 59.7731 30.0688 179.1389 26 V 3.6921 7.7316 112.0187 64.1927 31.4067 178.8276 27 I 3.6999 7.7487 119.8447 64.1962 36.9888 178.2059 28 S 4.3154 7.9133 115.3260 60.9705 61.9968 176.0706 29 E 3.9563 8.3165 119.9440 59.3644 29.2461 179.0491 30 A 4.1329 7.8265 120.0545 55.0295 18.6675 179.1414 31 T 4.2524 8.1315 106.0483 61.4101 69.5010 176.0648 32 G 3.8724 7.9019 109.0610 45.7595 0.0000 173.3070 33 E 4.2217 7.8467 121.2499 54.4480 30.5176 174.4036 34 P 4.4308 0.0000 0.0000 62.4454 32.2947 177.3301 35 R 3.8691 8.8129 119.8065 59.6089 30.0630 178.2836 36 E 4.2218 8.1814 113.1452 57.9046 29.7677 176.8206 37 N 4.8233 8.2561 116.4893 52.9741 38.9946 174.2246 38 I 4.6181 7.4162 119.8392 59.4941 38.7587 175.1381 39 F 4.6040 9.1630 130.7574 57.7846 40.8372 174.2175 40 F 5.4249 7.2690 126.4952 56.5687 42.4008 173.6620 41 V 3.9939 8.0423 124.9490 59.6882 34.4167 174.2740 42 I 4.5046 7.8706 124.5805 59.5149 39.1815 174.9774 43 R 4.5921 9.1000 126.2413 54.4825 32.5049 174.8006 44 E 5.5417 8.2622 123.1895 54.1946 32.0605 175.2793 45 G 4.1224 7.8429 108.1270 44.7096 0.0000 172.1557 46 S 5.1057 8.6793 114.7626 57.0013 64.7167 175.4690 47 G 3.8945 8.7229 109.4230 48.1463 0.0000 175.7384 48 I 3.7846 7.9044 118.7112 63.6370 37.9737 176.0585 49 N 4.5864 8.2806 115.4308 53.7956 38.8832 174.7452 50 F 4.6841 8.4667 118.2838 55.3144 41.6934 174.3681 51 V 4.7218 8.4315 124.0713 61.1501 33.1250 174.3497 52 E 4.7357 8.7082 126.7376 56.0757 32.5365 175.8994 53 H 3.9915 9.9922 117.8698 56.8442 26.5337 176.0250 54 G 4.1058 8.5570 107.8522 45.1425 0.0000 174.0389 55 E 4.7724 7.7954 118.7191 54.4080 31.9498 175.2646 56 H 5.5497 8.5361 118.6595 55.6355 29.6517 175.0424 57 L 4.6335 8.5219 120.7062 53.4850 43.3259 174.6752 58 P 4.5379 0.0000 0.0000 63.5358 32.8614 175.9693 59 D 4.9211 8.6481 119.3534 54.8682 40.2647 174.5269 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 P 0.00 4.57 0.00 2.13 2.07 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 2 M 8.60 5.29 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 3 I 9.15 4.96 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.14 0.97 0.00 0.00 4 S 8.79 5.16 0.00 3.84 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 5 C 9.04 4.82 0.00 3.27 2.90 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 6 D 8.83 5.39 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 M 9.16 4.60 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 8 A 7.85 4.20 0.96 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 0.00 0.00 9 Y 8.35 4.46 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.11 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.84 4.22 0.00 1.81 1.89 0.00 3.25 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 12 T 8.71 4.28 4.25 0.00 0.00 0.00 0.00 0.00 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 13 D 8.51 4.34 0.00 2.75 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 14 E 8.25 3.93 0.00 2.03 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 2.39 2.42 0.00 15 Q 8.15 4.00 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 8.17 4.06 0.00 2.02 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.63 7.81 17 R 8.47 3.92 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 18 A 8.17 3.95 1.38 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 0.00 0.00 19 L 8.26 3.87 0.00 1.89 1.95 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.33 3.73 0.00 4.24 4.46 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 21 A 8.34 4.02 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.15 3.43 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 0.00 23 L 7.99 3.86 0.00 1.38 1.28 0.82 0.17 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 24 L 7.91 3.92 0.00 1.84 1.65 0.80 0.64 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 25 R 7.89 3.82 0.00 1.94 2.05 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 26 V 7.73 3.69 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 0.75 0.00 0.00 0.96 0.00 0.00 27 I 7.75 3.70 1.88 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 1.46 0.87 0.90 0.00 0.00 28 S 7.91 4.32 0.00 3.96 4.04 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 29 E 8.32 3.96 0.00 2.16 1.99 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 2.34 2.32 0.00 30 A 7.83 4.13 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 31 T 8.13 4.25 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 G 7.90 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 33 E 7.85 4.22 0.00 2.11 1.82 0.00 0.00 0.00 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 2.30 0.00 34 P 0.00 4.43 0.00 2.37 2.17 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 35 R 8.81 3.87 0.00 1.89 2.05 0.00 3.12 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 36 E 8.18 4.22 0.00 2.09 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 2.29 2.29 0.00 37 N 8.26 4.82 0.00 2.89 2.87 0.00 0.00 6.77 8.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.42 4.62 2.02 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 1.13 0.75 0.92 0.00 0.00 39 F 9.16 4.60 0.00 3.22 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 40 F 7.27 5.42 0.00 2.74 2.66 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 41 V 8.04 3.99 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 0.88 0.00 0.00 0.89 0.00 0.00 42 I 7.87 4.50 1.66 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 1.15 -0.31 0.85 0.00 0.00 43 R 9.10 4.59 0.00 1.80 1.79 0.00 3.38 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 44 E 8.26 5.54 0.00 1.74 1.36 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 0.00 2.21 2.13 0.00 45 G 7.84 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 0.00 0.00 0.00 0.00 46 S 8.68 5.11 0.00 4.29 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 0.00 47 G 8.72 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 0.00 0.00 0.00 48 I 7.90 3.78 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 0.95 0.00 0.00 49 N 8.28 4.59 0.00 2.91 2.56 0.00 0.00 6.79 6.85 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 50 F 8.47 4.68 0.00 3.08 2.91 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 51 V 8.43 4.72 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 0.81 0.00 0.00 0.61 0.00 0.00 52 E 8.71 4.74 0.00 2.08 1.83 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 2.28 2.34 0.00 53 H 9.99 3.99 0.00 3.25 3.36 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.56 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 0.00 0.00 0.00 0.00 55 E 7.80 4.77 0.00 2.07 1.87 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 2.25 2.27 0.00 56 H 8.54 5.55 0.00 3.05 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.52 4.63 0.00 1.89 1.60 0.85 1.01 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 58 P 0.00 4.54 0.00 2.09 2.06 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 59 D 8.65 4.92 0.00 2.89 2.88 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 0.00 0.00 0.00