NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1085 8.3101 121.7879 55.3086 34.3760 173.8386 20 A 3.5681 7.9380 119.5266 51.9534 16.5196 174.5294 21 K 4.2641 7.9186 120.1694 55.2132 33.9060 176.5878 22 V 3.4473 8.1138 124.8291 65.2124 30.8100 176.2531 23 K 3.6846 7.2843 119.3196 59.8371 32.9096 176.3745 24 A 4.7129 7.5529 124.5951 51.8831 17.9961 177.2968 25 T 4.6646 7.5009 113.3569 62.4844 71.2682 174.4884 26 L 4.8925 7.4105 120.9609 52.6899 46.4082 177.9952 27 G 4.0615 8.3569 114.6243 45.7692 0.0000 173.0796 28 E 4.3684 8.8115 124.9846 55.4924 30.4762 176.3227 29 F 4.9274 8.1139 119.7984 55.3814 40.8676 174.2718 30 D 4.4766 8.6690 123.4516 53.6764 39.5297 176.1426 31 L 4.6797 7.7605 128.9378 55.9723 40.7153 178.3919 32 R 4.3578 7.9383 121.5407 58.1374 32.0002 175.6255 33 D 4.1759 7.7928 117.2484 54.5562 41.3401 175.6438 34 Y 4.8506 7.4692 127.1205 57.0942 38.8682 176.5853 35 R 4.4812 8.0665 117.8857 58.2475 35.0075 177.1661 36 N 4.6522 8.1195 116.1021 53.7616 33.3570 176.2453 37 V 3.7209 7.5398 116.2207 65.2603 32.0230 178.3563 38 E 4.0429 8.0062 117.2371 59.3709 29.2140 178.8688 39 V 3.6074 8.1561 118.5074 66.0303 31.5014 177.8744 40 L 4.1256 7.9428 117.8377 58.0301 41.5548 179.2525 41 K 3.5155 8.9097 120.5660 59.8665 31.8156 177.8766 42 R 4.0004 7.6443 116.1488 57.9637 30.1717 177.2727 43 F 4.4368 9.1792 117.3720 57.3638 39.5167 175.1172 44 L 4.7219 7.2477 119.6841 53.3229 42.4217 177.5100 45 S 4.3703 8.8378 118.4551 58.6140 63.0965 174.6049 46 E 4.4238 8.6642 119.2901 57.3804 29.3718 177.2656 47 T 4.8824 8.1902 116.8854 63.0061 70.9232 174.8838 48 G 3.6071 7.8795 111.0167 45.4870 0.0000 174.4453 49 K 3.7959 8.1074 119.1479 56.1631 32.4775 175.5808 50 I 4.3905 8.2842 123.8788 60.6769 36.8876 175.4807 51 L 4.0996 8.2370 127.2526 54.4693 42.3671 176.0045 52 P 4.5166 0.0000 0.0000 62.7984 32.2998 176.8320 53 R 4.2658 8.5711 117.5932 58.0938 29.6675 177.5280 54 R 4.1288 7.3746 116.9803 58.7468 30.7919 177.7540 55 R 4.0383 7.9906 118.0895 58.9794 30.9192 178.7896 56 T 4.0750 7.9441 106.2663 62.8279 70.0659 176.2453 57 G 3.7778 8.3780 108.7410 46.1807 0.0000 172.7021 58 L 4.6138 7.6627 119.8273 53.0420 44.5662 176.4744 59 S 4.4946 8.3886 113.2209 57.5207 63.4444 175.2976 60 A 3.9599 8.5230 125.6904 55.2600 18.4730 179.9433 61 K 3.7869 8.0155 116.1181 59.5283 32.4016 178.4009 62 E 3.8611 8.1821 118.2911 59.6793 29.4258 178.8831 63 Q 3.9626 8.1925 119.3317 59.8642 28.9111 178.9545 64 R 3.9074 7.5863 118.5977 59.1253 29.7782 178.8912 65 I 3.6010 7.8748 119.3916 65.2663 37.1883 177.3724 66 L 4.0104 8.4595 121.6908 56.9994 41.7937 178.2969 67 A 4.0197 8.4724 120.2527 55.6304 18.6120 179.9053 68 K 3.9481 8.3771 117.0389 59.7301 32.1835 179.5712 69 T 4.1461 7.6099 108.4793 64.2109 68.9324 176.9421 70 I 3.6821 8.3154 123.4488 64.1645 36.9533 178.0021 71 K 3.9876 8.1177 118.7687 60.0876 32.2480 178.6985 72 R 3.9391 7.8727 116.9844 59.6871 30.0300 178.6553 73 A 4.0526 8.0169 119.4243 55.5680 18.2043 179.7894 74 R 4.2953 7.7950 116.4084 58.3230 30.4601 178.6583 75 I 4.1335 7.9882 120.1864 63.4679 37.3508 177.3373 76 L 4.2780 7.7682 117.4668 54.4486 41.0064 178.6289 77 G 3.8868 7.6988 105.7797 46.0415 0.0000 175.6341 78 L 4.0381 7.3436 119.3003 57.1913 42.2472 177.3961 79 L 4.3515 7.4232 118.3653 53.2312 42.8996 175.4133 80 P 4.8632 0.0000 0.0000 62.1373 33.2637 175.0934 81 F 5.1485 8.4150 114.2960 59.5020 40.9499 175.4365 82 T 5.3605 7.3638 113.0203 63.6453 72.6428 173.2544 83 E 4.7692 8.3802 114.8206 55.5343 31.6565 175.8945 84 K 3.9823 9.0509 124.6137 56.6719 32.9225 176.7190 85 L 4.4175 8.3648 124.5829 53.9515 43.5899 175.5663 86 V 4.2814 7.9622 120.5027 61.9812 33.5950 175.5343 87 R 3.3240 8.7122 119.5196 57.7006 29.7710 175.8460 88 K 4.0320 8.1649 118.1364 57.2051 31.9923 175.1177 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 19 K 8.31 4.11 0.00 1.71 1.90 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.94 3.57 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 21 K 7.92 4.26 0.00 1.77 1.79 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.43 7.81 22 V 8.11 3.45 1.77 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 -0.07 0.00 0.00 0.80 0.00 0.00 23 K 7.28 3.68 0.00 2.23 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.51 1.55 7.81 24 A 7.55 4.71 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 25 T 7.50 4.66 4.29 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 1.14 0.00 0.00 26 L 7.41 4.89 0.00 1.71 1.37 0.33 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.36 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 4.37 0.00 1.98 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 2.29 2.28 0.00 29 F 8.11 4.93 0.00 3.15 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 30 D 8.67 4.48 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.68 0.00 1.79 1.43 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.94 4.36 0.00 1.74 2.19 0.00 3.32 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 33 D 7.79 4.18 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.47 4.85 0.00 3.07 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 35 R 8.07 4.48 0.00 1.80 1.91 0.00 3.19 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.32 0.00 36 N 8.12 4.65 0.00 2.91 3.00 0.00 0.00 6.20 7.68 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 37 V 7.54 3.72 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 1.04 0.00 0.00 0.93 0.00 0.00 38 E 8.01 4.04 0.00 1.91 1.98 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 2.30 2.35 0.00 39 V 8.16 3.61 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.89 0.00 0.00 40 L 7.94 4.13 0.00 1.78 1.76 1.00 0.75 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 41 K 8.91 3.52 0.00 1.93 2.02 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 42 R 7.64 4.00 0.00 1.74 1.73 0.00 3.01 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 43 F 9.18 4.44 0.00 3.21 3.14 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 44 L 7.25 4.72 0.00 1.64 1.76 0.97 1.47 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 45 S 8.84 4.37 0.00 3.97 4.08 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 0.00 0.00 0.00 0.00 46 E 8.66 4.42 0.00 1.99 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 2.30 2.27 0.00 47 T 8.19 4.88 4.27 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 1.23 0.00 0.00 48 G 7.88 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 49 K 8.11 3.80 0.00 1.83 1.81 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.48 7.81 50 I 8.28 4.39 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.96 0.00 0.00 51 L 8.24 4.10 0.00 1.69 1.70 0.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.52 0.00 2.13 2.25 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 53 R 8.57 4.27 0.00 1.94 1.99 0.00 3.31 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 54 R 7.37 4.13 0.00 1.86 1.88 0.00 3.30 0.00 0.00 3.23 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 55 R 7.99 4.04 0.00 1.86 2.00 0.00 3.27 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 56 T 7.94 4.07 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 57 G 8.38 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 58 L 7.66 4.61 0.00 1.68 1.77 1.22 0.97 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 59 S 8.39 4.49 0.00 3.93 3.83 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 60 A 8.52 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.02 3.79 0.00 1.83 1.79 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 8.18 3.86 0.00 2.14 1.98 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 2.34 2.36 0.00 63 Q 8.19 3.96 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 64 R 7.59 3.91 0.00 1.96 1.92 0.00 3.22 0.00 0.00 3.17 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 65 I 7.87 3.60 1.94 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 1.39 1.33 0.89 0.00 0.00 66 L 8.46 4.01 0.00 1.64 1.73 0.50 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.47 4.02 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 68 K 8.38 3.95 0.00 1.85 1.87 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 69 T 7.61 4.15 4.35 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 1.32 0.00 0.00 70 I 8.32 3.68 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.15 0.97 0.00 0.00 71 K 8.12 3.99 0.00 1.97 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.69 7.81 72 R 7.87 3.94 0.00 2.07 1.75 0.00 3.12 0.00 0.00 2.79 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 73 A 8.02 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.79 4.30 0.00 2.18 1.96 0.00 3.23 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 75 I 7.99 4.13 2.09 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 1.66 1.31 0.91 0.00 0.00 76 L 7.77 4.28 0.00 1.84 1.68 0.91 0.83 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 77 G 7.70 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 78 L 7.34 4.04 0.00 1.64 1.70 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.42 4.35 0.00 1.69 1.57 0.96 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 80 P 0.00 4.86 0.00 2.19 2.06 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 81 F 8.41 5.15 0.00 3.02 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 82 T 7.36 5.36 4.32 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 1.24 0.00 0.00 83 E 8.38 4.77 0.00 1.99 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 0.00 2.34 2.21 0.00 84 K 9.05 3.98 0.00 1.67 1.81 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.41 7.81 85 L 8.36 4.42 0.00 1.58 1.57 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.96 4.28 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 0.92 0.00 0.00 0.93 0.00 0.00 87 R 8.71 3.32 0.00 2.02 1.92 0.00 3.29 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 K 8.16 4.03 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.40 7.81