NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3306 8.3449 119.6901 54.7182 29.0812 174.3099 2 P 4.0678 0.0000 0.0000 63.0174 32.4777 174.7961 3 L 3.5868 8.1756 120.8544 55.6428 40.2437 174.1119 4 R 4.5647 7.2934 116.2444 54.6543 31.9516 178.6547 5 K 4.2292 8.4537 118.3460 58.4951 31.8522 179.0866 6 L 4.1288 7.9106 119.9939 57.6492 42.2061 178.3651 7 C 4.7597 8.0480 114.1175 58.1248 39.0630 174.7280 8 I 4.1424 7.5047 122.4038 61.2711 36.9525 176.7588 9 L 4.1173 7.8381 117.9580 54.5810 41.7254 177.5677 10 H 4.1840 7.5514 117.6016 54.5813 28.3938 174.3179 11 R 3.4463 7.8073 115.4207 56.9266 29.5654 176.7011 12 N 4.9601 7.8509 116.8298 51.0007 39.1195 172.3092 13 P 4.2496 0.0000 0.0000 65.5792 32.1917 179.0711 14 G 3.7928 7.9716 102.6918 44.5872 0.0000 173.9476 15 R 4.1381 7.7173 118.3014 54.7140 29.3445 178.1013 16 C 3.9290 7.6917 126.8501 55.1937 44.1232 174.7032 17 Y 3.5625 7.5830 115.2671 57.3588 35.9814 165.9503 18 Q 3.7698 8.2128 126.1080 55.8622 29.1393 172.1593 19 K 4.6079 9.0443 124.1771 56.8594 38.7070 175.7275 20 I 4.5808 7.8270 120.3161 58.3503 37.3552 171.8797 21 P 4.1638 0.0000 0.0000 62.6307 31.8648 176.4087 22 A 4.3009 8.1564 127.6641 51.1795 24.3552 174.9921 23 F 5.8630 10.0336 114.4586 57.6185 44.3595 173.3025 24 Y 5.5257 9.5383 117.5418 54.7366 41.8694 173.7436 25 Y 4.5317 8.5002 122.3317 57.3753 39.3983 174.9274 26 N 4.2452 8.7890 127.5346 52.0909 39.4275 175.5306 27 Q 4.2058 7.8069 131.1334 55.5228 28.7659 177.6259 28 K 4.3374 7.6504 117.2072 57.1801 36.3172 176.0863 29 K 4.6977 7.2088 119.8084 55.2732 30.2393 176.7908 30 K 4.5708 8.6379 112.2897 56.1116 33.1534 173.3630 31 Q 4.3658 7.4687 120.0342 55.8005 32.9314 173.2034 32 C 4.8804 8.5264 121.9439 56.1158 41.6933 172.6068 33 E 4.6225 8.7247 128.3156 55.3716 31.1249 175.5535 34 G 4.0875 8.8162 110.9738 45.8817 0.0000 172.7622 35 F 5.1783 9.0061 116.4035 55.7567 42.4011 173.0616 36 T 4.4787 8.2841 115.0386 61.2136 70.2871 174.4323 37 W 4.1683 7.9006 135.0000 57.8008 30.8387 174.8640 38 S 4.5608 7.8875 116.7109 57.7797 63.3506 175.1987 39 G 3.6096 6.5618 115.3759 46.6191 0.0000 172.8486 40 C 4.7426 6.9375 110.0787 52.7338 42.4273 172.5356 41 G 3.7223 7.4950 109.3037 46.7706 0.0000 172.1172 42 G 4.0193 8.6795 107.5041 44.4701 0.0000 174.4973 43 N 4.6672 8.9294 119.9057 54.0564 38.3286 176.3499 44 S 4.7158 6.3118 124.0125 59.1232 66.4406 174.5638 45 N 4.8736 9.5445 125.0428 55.0475 37.6706 172.3894 46 R 4.7476 7.2232 116.9130 54.7333 29.6381 175.2030 47 F 4.8477 9.3146 124.9594 55.3991 41.5930 176.7453 48 K 4.1770 9.2648 126.0384 59.1031 32.4467 177.9414 49 T 4.5083 7.6060 108.6324 59.7017 72.3868 175.2054 50 I 3.4344 7.5738 123.5374 64.1507 37.0455 178.7789 51 E 3.8014 7.8265 119.1343 59.5633 28.7728 178.7070 52 E 3.9719 8.2019 118.0319 59.7487 29.3239 180.0139 53 C 2.6726 7.7251 117.7817 59.3505 42.7471 175.9268 54 R 3.3310 7.7668 119.3288 58.8518 29.3036 179.3246 55 R 3.8654 8.0144 118.0035 58.7803 30.2045 178.0700 56 T 4.3530 7.2027 111.1463 64.4340 69.6501 175.7495 57 C 4.3498 7.9547 116.9913 57.5306 41.0131 174.3651 58 I 3.8146 7.3575 117.1836 60.1280 38.4418 176.2936 59 R 4.2061 7.8874 117.0576 56.3087 30.1560 175.3117 60 K 4.0750 8.2341 122.1213 56.7082 32.2280 176.5767 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 Q 8.34 4.33 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 2 P 0.00 4.07 0.00 2.10 1.96 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 3 L 8.18 3.59 0.00 1.72 1.69 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.29 4.56 0.00 2.03 2.24 0.00 3.11 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 5 K 8.45 4.23 0.00 1.85 1.92 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.52 7.81 6 L 7.91 4.13 0.00 1.68 1.80 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.05 4.76 0.00 3.31 3.36 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 8 I 7.50 4.14 2.05 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 1.59 1.91 0.95 0.00 0.00 9 L 7.84 4.12 0.00 1.67 1.72 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.55 4.18 0.00 3.40 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.81 3.45 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.80 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.00 12 N 7.85 4.96 0.00 2.67 2.78 0.00 0.00 6.98 8.19 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 13 P 0.00 4.25 0.00 2.18 2.60 0.00 3.75 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 1.98 2.05 0.00 14 G 7.97 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.72 4.14 0.00 1.67 1.76 0.00 3.16 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 16 C 7.69 3.93 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.58 3.56 0.00 3.22 3.09 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 18 Q 8.21 3.77 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 19 K 9.04 4.61 0.00 1.99 2.32 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.58 7.81 20 I 7.83 4.58 0.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 0.33 0.00 0.00 21 P 0.00 4.16 0.00 1.90 1.91 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 22 A 8.16 4.30 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 23 F 10.03 5.86 0.00 3.34 3.22 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 24 Y 9.54 5.53 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.50 4.53 0.00 2.78 2.84 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 26 N 8.79 4.25 0.00 2.45 2.70 0.00 0.00 6.95 6.30 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 27 Q 7.81 4.21 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.37 0.00 0.00 0.00 0.00 0.00 1.16 1.64 0.00 28 K 7.65 4.34 0.00 1.66 1.96 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.40 7.81 29 K 7.21 4.70 0.00 1.84 1.20 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.38 7.81 30 K 8.64 4.57 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.34 7.81 31 Q 7.47 4.37 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.12 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 32 C 8.53 4.88 0.00 2.90 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 33 E 8.72 4.62 0.00 2.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 34 G 8.82 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 35 F 9.01 5.18 0.00 2.93 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 36 T 8.28 4.48 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 37 W 7.90 4.17 0.00 2.97 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 38 S 7.89 4.56 0.00 3.66 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.56 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.94 4.74 0.00 2.95 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 41 G 7.50 3.72 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 0.00 0.00 0.00 42 G 8.68 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.93 4.67 0.00 2.91 2.48 0.00 0.00 6.65 7.57 0.00 0.00 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 S 6.31 4.72 0.00 3.88 3.23 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 45 N 9.54 4.87 0.00 3.18 2.96 0.00 0.00 6.76 7.93 0.00 0.00 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 7.22 4.75 0.00 1.92 1.83 0.00 3.52 0.00 0.00 3.05 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 47 F 9.31 4.85 0.00 3.44 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.26 4.18 0.00 1.82 1.94 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 49 T 7.61 4.51 4.17 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 1.19 0.00 0.00 50 I 7.57 3.43 1.58 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.76 0.00 0.00 51 E 7.83 3.80 0.00 1.94 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 2.30 2.30 0.00 52 E 8.20 3.97 0.00 2.23 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 2.45 2.50 0.00 53 C 7.73 2.67 0.00 2.98 2.94 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 54 R 7.77 3.33 0.00 1.84 1.77 0.00 3.01 0.00 0.00 3.01 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.66 0.00 55 R 8.01 3.87 0.00 1.88 1.95 0.00 3.26 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 1.71 1.77 0.00 56 T 7.20 4.35 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 1.33 0.00 0.00 57 C 7.95 4.35 0.00 2.48 2.67 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 58 I 7.36 3.81 1.74 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.47 0.74 0.00 0.00 59 R 7.89 4.21 0.00 1.82 2.09 0.00 3.20 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 60 K 8.23 4.07 0.00 1.72 1.63 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.35 7.81