NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0789 8.2549 120.8404 55.0315 30.5377 175.0217 2 P 3.9740 0.0000 0.0000 61.8800 32.0371 176.3062 3 A 4.0116 8.3717 123.1836 55.2014 19.1983 179.8051 4 F 4.3971 7.9312 112.3328 59.7692 37.7414 177.7566 5 C 4.7369 7.4455 115.6993 58.8374 40.0584 174.6172 6 L 4.2291 7.7072 119.3481 54.3194 42.0280 176.6750 7 E 4.2431 7.7032 119.8859 55.0950 30.1403 175.1116 8 P 4.3417 0.0000 0.0000 61.3730 32.2738 174.3918 9 P 3.6950 0.0000 0.0000 62.6295 31.4742 175.6857 10 Y 4.4430 7.4686 119.7750 55.4277 39.9169 174.8222 11 A 4.2836 8.2699 131.5953 53.4215 18.7712 178.6575 12 G 3.8109 6.7875 101.1264 44.3586 0.0000 171.2812 13 P 4.4250 0.0000 0.0000 62.9622 31.6613 176.7589 14 G 3.6811 7.5717 108.7825 45.6830 0.0000 174.3009 15 K 4.1557 8.2314 117.6744 56.4183 32.9091 177.1385 16 A 4.1248 7.7900 121.9018 51.7211 19.6748 177.0714 17 R 4.8430 8.0169 116.4281 54.3555 29.9155 174.3768 18 I 4.3863 8.3594 121.6647 59.4269 39.8242 175.8145 19 I 4.2883 8.3095 128.3800 61.1966 37.7582 175.4146 20 R 4.8544 8.3774 124.9547 54.5355 34.8696 173.6035 21 Y 5.4875 9.3651 117.5055 56.3358 41.5558 175.1851 22 F 5.7730 9.4683 117.5854 55.2155 41.9161 173.4039 23 Y 4.5769 9.7899 122.8155 57.4265 40.2280 173.7458 24 N 4.7460 8.6391 126.3566 51.9390 39.1371 175.2746 25 A 3.7792 8.5348 130.2309 54.7905 19.0009 178.4856 26 A 4.0370 8.1319 117.8251 54.8340 18.5281 178.1013 27 A 4.2936 8.2063 116.4372 51.5144 19.6538 177.1476 28 G 4.0928 7.7211 103.3868 45.9578 0.0000 173.1680 29 A 4.8366 7.2180 118.4511 49.6235 23.4985 175.3346 30 A 5.0512 8.4479 120.3164 50.4334 20.9243 176.3327 31 Q 4.7410 8.5008 120.4378 53.9883 33.3715 174.5621 32 A 4.6904 8.5952 122.7109 51.2040 20.7239 176.2403 33 F 4.9294 8.8187 114.0340 55.7320 42.2313 173.5190 34 V 4.3437 8.4283 119.7256 61.8291 32.0393 174.2507 35 Y 4.6797 8.8848 130.9377 56.7107 40.1982 175.9355 36 G 3.9821 8.2028 112.6801 45.6635 0.0000 175.2583 37 G 3.6680 6.1122 108.7026 44.4852 0.0000 173.4178 38 A 4.6746 6.6082 123.3041 51.9287 21.8983 176.1599 39 R 3.9629 8.8866 116.9884 56.5472 26.8177 176.1600 40 A 4.1439 8.5448 120.7935 53.6677 18.6822 178.6938 41 K 4.3731 8.3516 121.2279 54.8914 33.9396 177.2114 42 R 3.6343 8.1860 118.1144 59.0072 30.3699 177.6589 43 N 4.9161 7.9348 118.1683 51.2651 37.2307 173.7013 44 N 5.0443 6.6923 116.2869 52.7701 41.3570 173.2211 45 F 4.9099 9.3084 124.4184 55.3709 42.6870 176.3707 46 A 4.3136 8.8270 125.9589 54.4329 18.8438 178.1745 47 S 4.5215 7.8150 109.4772 55.6710 67.3040 174.8137 48 A 3.6861 7.4355 124.1312 55.1781 18.0328 179.9662 49 A 3.8490 7.7150 118.7692 55.2592 18.4250 179.4489 50 D 4.1729 8.1209 117.3015 57.3855 40.9717 178.8414 51 A 2.6360 7.6337 120.7190 54.6844 18.3041 179.7124 52 L 3.8528 7.9940 117.3848 57.7314 41.6727 179.5866 53 A 3.8482 8.0526 120.6437 55.1976 18.1388 179.6232 54 A 4.0172 7.6377 117.8945 54.5279 18.3958 178.0529 55 C 4.3381 7.4897 113.0896 56.0584 41.5664 173.4081 56 A 3.5491 7.4120 120.3904 53.2204 16.4802 178.1153 57 A 4.3035 7.9950 127.7481 53.6350 19.2241 177.5962 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 R 8.25 4.08 0.00 1.67 1.88 0.00 3.23 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 2 P 0.00 3.97 0.00 1.01 1.49 0.00 3.28 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 3 A 8.37 4.01 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 4 F 7.93 4.40 0.00 3.42 3.35 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 5 C 7.45 4.74 0.00 3.01 3.29 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 6 L 7.71 4.23 0.00 1.68 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.70 4.24 0.00 2.13 1.89 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 2.38 2.45 0.00 8 P 0.00 4.34 0.00 2.02 1.95 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 9 P 0.00 3.69 0.00 0.64 0.49 0.00 3.09 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 10 Y 7.47 4.44 0.00 2.77 2.89 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 A 8.27 4.28 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 12 G 6.79 3.81 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 0.00 0.00 0.00 13 P 0.00 4.42 0.00 2.17 2.17 0.00 3.97 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 1.96 2.00 0.00 14 G 7.57 3.68 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 0.00 0.00 0.00 15 K 8.23 4.16 0.00 1.70 1.81 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.38 7.81 16 A 7.79 4.12 1.14 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 17 R 8.02 4.84 0.00 1.62 1.80 0.00 3.16 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 18 I 8.36 4.39 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.96 0.00 0.00 19 I 8.31 4.29 1.85 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 1.26 0.42 0.74 0.00 0.00 20 R 8.38 4.85 0.00 0.67 1.60 0.00 3.35 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 21 Y 9.37 5.49 0.00 3.24 2.98 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 22 F 9.47 5.77 0.00 3.34 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 23 Y 9.79 4.58 0.00 3.04 3.04 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 24 N 8.64 4.75 0.00 2.54 2.54 0.00 0.00 6.71 7.83 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 25 A 8.53 3.78 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 26 A 8.13 4.04 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 27 A 8.21 4.29 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 28 G 7.72 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.22 4.84 1.10 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 30 A 8.45 5.05 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 31 Q 8.50 4.74 0.00 1.25 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 32 A 8.60 4.69 0.92 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 0.00 0.00 0.00 0.00 0.00 33 F 8.82 4.93 0.00 3.08 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 34 V 8.43 4.34 2.10 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 0.73 0.00 0.00 0.92 0.00 0.00 35 Y 8.88 4.68 0.00 2.62 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 36 G 8.20 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 37 G 6.11 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.61 4.67 1.18 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 0.00 0.00 0.00 0.00 0.00 39 R 8.89 3.96 0.00 2.01 1.90 0.00 3.30 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 40 A 8.54 4.14 1.04 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 0.00 0.00 41 K 8.35 4.37 0.00 1.73 1.81 0.00 1.40 0.00 0.00 1.46 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.17 1.17 7.81 42 R 8.19 3.63 0.00 1.58 0.99 0.00 3.08 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 43 N 7.93 4.92 0.00 3.26 2.90 0.00 0.00 6.92 7.73 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 44 N 6.69 5.04 0.00 2.71 2.55 0.00 0.00 7.08 7.02 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 45 F 9.31 4.91 0.00 3.33 2.97 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 46 A 8.83 4.31 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 47 S 7.81 4.52 0.00 3.87 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 48 A 7.44 3.69 0.92 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 0.00 0.00 0.00 0.00 0.00 49 A 7.72 3.85 1.25 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 0.00 0.00 0.00 50 D 8.12 4.17 0.00 3.07 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 51 A 7.63 2.64 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 52 L 7.99 3.85 0.00 1.76 1.69 0.91 0.99 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 53 A 8.05 3.85 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 54 A 7.64 4.02 1.22 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 0.00 0.00 0.00 55 C 7.49 4.34 0.00 1.98 1.76 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 56 A 7.41 3.55 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 57 A 7.99 4.30 1.27 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 0.00 0.00