NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 I 4.1164 8.0093 121.4515 61.6073 37.5732 175.3495 30 T 4.2457 7.8686 116.6633 58.9579 71.8257 173.6881 31 K 3.5149 9.0974 123.4339 59.4317 32.5007 178.3412 32 P 4.2207 0.0000 0.0000 65.1269 31.2248 178.5214 33 A 4.0386 7.4603 119.6788 55.0380 18.4158 179.6742 34 I 3.7157 7.9891 118.5098 64.5198 37.2082 178.6320 35 R 4.0001 8.4984 119.9522 59.5563 29.9926 178.7852 36 R 3.9707 8.0198 117.9045 59.1006 30.1141 179.0254 37 L 3.9391 8.0850 118.5441 57.8316 41.6226 179.2961 38 A 4.0077 8.1713 120.6981 55.2981 18.2407 179.9114 39 R 3.8437 8.0164 116.4325 59.4934 29.9792 179.3393 40 R 4.2597 7.8441 117.0084 58.7766 30.0833 177.7605 41 G 3.9468 7.6769 103.3092 44.3214 0.0000 174.1828 42 G 3.8722 8.1922 108.6627 45.7093 0.0000 173.9061 43 V 3.8337 7.7982 119.7172 62.0571 32.1435 175.7394 44 K 4.2925 8.6835 127.7357 57.6398 33.0011 176.7818 45 R 4.7000 7.6797 115.3333 54.2156 33.6084 174.3758 46 I 4.4408 8.1226 121.9840 59.2018 40.2026 175.5881 47 S 4.3091 8.3797 119.4829 57.6174 62.8489 174.9712 48 G 3.7921 8.6806 114.0879 48.6309 0.0000 175.3908 49 L 3.9882 7.7059 118.7212 55.8023 42.3025 178.6955 50 I 3.5367 7.2308 120.2726 64.7969 36.6849 177.5849 51 Y 4.2501 7.3003 116.9429 60.8030 37.8735 177.7384 52 E 4.0966 8.2122 119.0871 58.8830 29.8547 178.6187 53 E 3.9579 7.9103 119.8465 59.3802 29.6778 179.0059 54 T 3.8393 8.2684 116.1645 66.7890 68.5656 176.6669 55 R 4.0887 7.8183 120.1973 59.4222 30.0885 179.3294 56 G 3.6187 8.0485 105.0560 47.7621 0.0000 175.9959 57 V 3.6222 7.6628 120.5140 65.6274 31.5276 177.7818 58 L 3.9644 8.3892 120.5778 58.0642 41.7783 178.9228 59 K 3.9705 8.2832 119.5749 59.5801 32.1839 179.0105 60 V 3.5974 7.9100 118.5962 65.7538 31.3763 177.7213 61 F 4.0170 8.5877 120.7058 61.2621 39.3465 176.9809 62 L 3.9119 8.4843 118.8283 57.9588 41.4120 178.9857 63 E 3.8756 8.3532 118.6280 59.8507 29.2367 179.1638 64 N 4.2000 7.9870 115.7621 56.4866 38.7232 177.6273 65 V 3.4743 7.3326 119.0512 66.1654 31.5961 178.1295 66 I 3.7604 8.1526 119.8656 64.1373 36.9998 178.2062 67 R 3.8495 8.1890 119.8956 59.7224 29.8720 178.3546 68 D 4.2131 7.8059 118.0121 57.1965 40.8624 178.4038 69 A 4.3544 8.4703 121.6797 55.5778 18.3135 179.9757 70 V 3.6497 8.5757 116.8072 66.2760 31.5140 178.4058 71 T 3.8724 7.7160 115.3974 66.5687 68.1969 176.3769 72 Y 4.2058 8.0562 118.9017 61.1251 38.0126 178.0544 73 T 3.9149 8.0964 116.7706 66.8369 68.5825 176.2051 74 E 3.9779 8.5525 120.4918 59.8726 29.3456 178.9247 75 H 4.0428 8.0482 116.6547 59.2566 30.0194 176.3677 76 A 4.2492 7.9649 118.8773 51.5654 18.6253 177.0168 77 K 3.8071 8.1968 116.1937 57.7584 29.9430 175.7432 78 R 4.6384 7.7038 116.0337 54.7874 32.4479 176.5017 79 K 4.5297 8.4683 115.3753 56.3286 33.5190 176.3071 80 T 4.5014 7.6087 116.1628 61.2931 70.3825 173.9029 81 V 3.8852 8.4396 127.2176 62.8081 32.3317 176.0430 82 T 4.5011 9.0272 118.4397 60.1560 71.9150 175.5484 83 A 3.9339 8.3897 123.3569 55.8212 18.3952 179.9323 84 M 3.6773 7.9009 116.4857 58.4451 31.9739 178.5202 85 D 4.4100 7.8648 118.7958 57.3030 40.9671 179.1008 86 V 3.5419 7.5326 118.3240 65.8627 31.5973 178.1746 87 V 3.5071 8.0200 118.3221 66.3922 30.8949 177.6470 88 Y 4.3012 8.0542 116.4262 60.9373 37.6405 178.4860 89 A 4.2647 8.0959 121.8819 55.2582 18.4710 179.6573 90 L 3.9716 8.4164 117.9906 57.7127 41.6393 179.7852 91 K 3.9761 8.0935 119.9015 59.0854 32.0684 178.3373 92 R 4.4310 7.5150 112.4647 56.9434 30.0957 177.4747 93 Q 4.2790 7.9071 117.7780 56.0432 28.9508 176.0164 94 G 3.9018 8.0773 108.0925 46.7424 0.0000 174.4587 95 R 4.7234 8.4359 115.0106 54.4153 30.5282 176.8935 96 T 3.9034 7.8651 113.3122 64.2181 69.3827 173.9037 97 L 4.7329 8.4431 126.4471 53.3928 44.6624 174.9924 98 Y 4.9082 8.3519 123.4369 57.9324 39.4644 175.6574 99 G 4.0180 9.0114 109.8740 45.6611 0.0000 173.7312 100 F 4.6861 8.0238 118.0998 56.7910 40.1922 175.3065 101 G 3.8554 8.2888 107.1567 46.9826 0.0000 174.4550 102 G 4.1656 8.4481 109.7065 45.8455 0.0000 173.4770 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 29 I 8.01 4.12 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.08 0.93 0.00 0.00 30 T 7.87 4.25 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 1.19 0.00 0.00 31 K 9.10 3.51 0.00 1.40 1.59 0.00 1.14 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.07 0.21 7.81 32 P 0.00 4.22 0.00 2.17 2.05 0.00 3.52 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 33 A 7.46 4.04 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 34 I 7.99 3.72 2.23 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 1.04 0.00 0.00 35 R 8.50 4.00 0.00 2.06 2.21 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 36 R 8.02 3.97 0.00 2.11 1.97 0.00 3.19 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 1.66 1.92 0.00 37 L 8.09 3.94 0.00 1.91 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.17 4.01 1.39 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 0.00 0.00 0.00 39 R 8.02 3.84 0.00 2.04 1.99 0.00 3.30 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 40 R 7.84 4.26 0.00 1.83 2.09 0.00 3.24 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 41 G 7.68 3.95 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 0.00 0.00 0.00 42 G 8.19 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 43 V 7.80 3.83 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 0.91 0.00 0.00 44 K 8.68 4.29 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.44 7.81 45 R 7.68 4.70 0.00 1.77 1.75 0.00 3.37 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 46 I 8.12 4.44 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.53 0.00 0.00 47 S 8.38 4.31 0.00 3.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.68 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 49 L 7.71 3.99 0.00 1.68 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.23 3.54 1.37 0.00 0.00 0.75 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 0.76 0.63 0.00 0.00 51 Y 7.30 4.25 0.00 2.92 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 52 E 8.21 4.10 0.00 2.01 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 2.46 2.34 0.00 53 E 7.91 3.96 0.00 2.11 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 2.28 2.38 0.00 54 T 8.27 3.84 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 55 R 7.82 4.09 0.00 1.98 2.02 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 56 G 8.05 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.66 3.62 2.22 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 1.09 0.00 0.00 1.00 0.00 0.00 58 L 8.39 3.96 0.00 1.75 1.82 0.95 0.57 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 59 K 8.28 3.97 0.00 1.98 1.98 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.34 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.47 7.81 60 V 7.91 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 61 F 8.59 4.02 0.00 3.25 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 3.91 0.00 1.76 1.74 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.35 3.88 0.00 2.14 2.01 0.00 0.00 0.00 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 2.65 0.00 64 N 7.99 4.20 0.00 2.72 2.76 0.00 0.00 6.77 7.74 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 65 V 7.33 3.47 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 0.77 0.00 0.00 0.25 0.00 0.00 66 I 8.15 3.76 1.90 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 1.39 0.73 0.91 0.00 0.00 67 R 8.19 3.85 0.00 1.94 2.04 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 68 D 7.81 4.21 0.00 2.96 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 69 A 8.47 4.35 1.39 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 0.00 0.00 0.00 70 V 8.58 3.65 2.14 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 1.16 0.00 0.00 0.96 0.00 0.00 71 T 7.72 3.87 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 1.00 0.00 0.00 72 Y 8.06 4.21 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.10 3.91 4.47 0.00 0.00 0.00 0.00 0.00 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 74 E 8.55 3.98 0.00 2.00 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 2.57 0.00 75 H 8.05 4.04 0.00 3.26 3.60 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.96 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.20 3.81 0.00 1.89 1.93 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.53 7.81 78 R 7.70 4.64 0.00 1.85 1.87 0.00 3.13 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 79 K 8.47 4.53 0.00 1.70 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.42 7.81 80 T 7.61 4.50 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 81 V 8.44 3.89 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 0.83 0.00 0.00 0.95 0.00 0.00 82 T 9.03 4.50 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 1.27 0.00 0.00 83 A 8.39 3.93 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 84 M 7.90 3.68 0.00 1.61 2.01 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 85 D 7.86 4.41 0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.53 3.54 2.14 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 0.91 0.00 0.00 0.91 0.00 0.00 87 V 8.02 3.51 1.84 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 0.92 0.00 0.00 0.95 0.00 0.00 88 Y 8.05 4.30 0.00 2.44 2.27 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 89 A 8.10 4.26 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.42 3.97 0.00 1.83 2.01 0.90 0.79 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 91 K 8.09 3.98 0.00 1.94 2.15 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.51 7.81 92 R 7.51 4.43 0.00 2.07 2.12 0.00 3.21 0.00 0.00 3.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 93 Q 7.91 4.28 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 94 G 8.08 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 0.00 0.00 0.00 95 R 8.44 4.72 0.00 1.88 1.98 0.00 3.45 0.00 0.00 3.44 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 96 T 7.87 3.90 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 1.31 0.00 0.00 97 L 8.44 4.73 0.00 1.57 1.56 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.35 4.91 0.00 2.95 2.79 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 99 G 9.01 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 0.00 100 F 8.02 4.69 0.00 2.95 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 0.00 101 G 8.29 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 0.00 0.00 0.00 102 G 8.45 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 0.00 0.00 0.00 0.00