NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.2901 8.0976 120.8597 55.8766 30.1288 176.2923 19 K 3.8996 8.5843 123.4766 56.8842 32.3030 176.5131 20 A 4.4023 9.4796 124.1309 52.3348 18.8900 179.3290 21 K 4.4944 7.4723 129.1371 56.5455 32.6217 176.2521 22 V 4.4078 8.9150 121.2753 63.4125 33.5164 171.8748 23 K 3.6542 8.4782 114.8149 58.0808 31.9533 175.3475 24 A 4.5898 8.4127 121.5599 53.0076 20.8488 177.9183 25 T 4.2298 7.6139 110.8417 64.2235 68.6380 173.7182 26 L 4.8592 7.2872 120.0122 53.0731 46.2154 176.1577 27 G 4.2220 8.0035 109.2340 44.3365 0.0000 172.9608 28 E 4.1780 8.9016 121.1787 56.4827 29.5218 176.3917 29 F 4.7548 8.7698 118.7800 54.5631 40.5683 174.1262 30 D 4.2554 8.6633 125.5941 53.6014 40.0440 175.9011 31 L 4.1248 7.9451 124.2989 56.6130 40.1646 177.4260 32 R 4.3516 8.5633 118.5400 56.1620 29.9363 174.7294 33 D 4.6856 7.7894 116.3667 52.6901 42.2525 175.4518 34 Y 4.8596 7.6101 125.4188 57.2683 38.8770 176.6722 35 R 4.4781 8.6877 119.7644 58.6664 33.6606 176.6400 36 N 4.7464 8.0500 116.6641 51.0278 35.8296 175.3282 37 V 3.6738 8.0302 125.0686 65.8051 31.9905 179.2721 38 E 4.0973 8.3394 118.9041 59.4937 28.8265 178.8824 39 V 3.5748 7.4459 118.6127 64.2544 31.2451 177.8501 40 L 4.2757 7.9725 117.5205 58.2208 42.1735 179.3831 41 K 3.9262 9.0347 120.5134 59.9360 31.7468 178.1994 42 R 3.7810 8.0081 118.2625 59.3071 30.3240 177.8611 43 F 4.4715 8.4769 115.4712 57.4615 39.0058 174.5498 44 L 5.1567 7.1332 119.0500 52.6516 43.8430 177.0710 45 S 4.4754 8.7230 117.7334 58.2997 64.0806 173.8870 46 E 5.1474 8.7516 117.9399 56.7355 29.7045 176.9883 47 T 4.6280 7.0497 106.0035 59.6699 69.6212 175.4745 48 G 3.9648 7.9974 110.0058 45.8332 0.0000 174.2563 49 K 4.4041 7.2947 118.6512 55.5854 33.8400 176.4134 50 I 4.2668 8.1399 122.9615 61.3834 37.8394 175.8118 51 L 4.5383 8.3575 126.7220 53.1158 42.7309 175.2320 52 P 4.4917 0.0000 0.0000 62.6130 32.0331 177.4384 53 R 4.5094 8.3672 116.1012 58.7102 30.0729 179.2810 54 R 3.9330 8.0893 115.7447 58.3863 29.9048 175.9523 55 R 4.5197 7.3332 113.1013 57.3465 33.1681 176.8147 56 T 4.0849 8.6104 108.5936 63.2894 68.7702 174.4393 57 G 4.3136 8.1611 109.7364 46.3705 0.0000 172.6082 58 L 4.8179 7.6630 116.3997 52.7743 43.5651 176.2022 59 S 4.3519 8.5562 113.3933 57.6697 64.5325 174.4918 60 A 4.1147 8.4746 125.3439 55.2934 17.8889 179.5918 61 K 3.8638 8.0222 116.0749 58.5841 32.4012 177.2876 62 E 4.3432 7.7536 116.9987 58.8824 30.5325 177.6300 63 Q 3.8231 8.5762 118.9029 60.1255 29.0857 178.3306 64 R 4.1322 8.0084 119.3549 57.6900 30.0562 177.8542 65 I 3.6641 7.5907 113.7618 63.5008 37.7412 177.6176 66 L 3.9434 8.0605 122.6118 57.8049 42.0629 178.3037 67 A 3.9717 8.1640 121.2142 54.8189 18.2908 179.5389 68 K 3.8762 7.9490 118.0470 59.6637 32.3684 178.9699 69 T 3.9004 7.3947 110.0018 65.0915 68.6337 175.9837 70 I 3.6663 7.5182 122.6789 64.1559 37.0663 178.0671 71 K 3.7157 8.0941 118.6531 59.8305 31.9086 179.4550 72 R 3.8914 8.0021 117.5532 59.3718 29.8501 178.9802 73 A 4.1627 7.8777 118.9503 55.3456 18.4044 179.5027 74 R 4.2139 8.0888 115.9438 59.4412 30.2636 179.1484 75 I 4.1722 7.5861 119.8308 64.2337 37.1498 178.8918 76 L 4.5543 8.4366 118.9623 54.7246 41.3780 177.4972 77 G 4.3098 8.1762 104.6384 46.4635 0.0000 175.1007 78 L 4.2005 8.0809 119.2898 56.1950 41.8843 176.2018 79 L 4.9098 7.6341 116.6035 52.2286 45.5206 172.9613 80 P 4.9537 0.0000 0.0000 62.0321 33.5762 173.9364 81 F 4.7003 8.8827 113.0030 59.3992 40.9984 176.8876 82 T 4.7205 7.6038 117.1119 61.9232 69.6039 173.0603 83 E 4.2245 8.1503 122.9739 55.4781 30.9842 177.2110 84 K 4.2868 8.4261 121.0622 55.3984 32.8649 177.1193 85 L 3.9154 8.5231 124.4914 55.9601 40.7228 176.7912 86 V 4.0631 8.0958 121.9591 60.6801 31.7028 175.0383 87 R 3.5816 9.0381 127.5703 58.6247 30.1511 176.2135 88 K 4.5187 8.4953 123.0858 57.2894 34.2736 174.1281 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 18 R 8.10 4.29 0.00 1.86 1.92 0.00 3.15 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 19 K 8.58 3.90 0.00 1.97 1.89 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.43 7.81 20 A 9.48 4.40 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 21 K 7.47 4.49 0.00 1.75 1.64 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 22 V 8.91 4.41 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 0.64 0.00 0.00 23 K 8.48 3.65 0.00 2.35 2.44 0.00 1.68 0.00 0.00 1.98 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.52 7.81 24 A 8.41 4.59 1.28 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 0.00 0.00 25 T 7.61 4.23 4.05 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 0.00 0.00 1.10 0.00 0.00 26 L 7.29 4.86 0.00 0.88 0.99 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.00 4.22 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 0.00 28 E 8.90 4.18 0.00 2.14 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 0.00 2.32 2.37 0.00 29 F 8.77 4.75 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 30 D 8.66 4.26 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.12 0.00 1.57 1.43 0.78 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.56 4.35 0.00 1.65 2.28 0.00 3.28 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 33 D 7.79 4.69 0.00 2.61 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 34 Y 7.61 4.86 0.00 3.12 3.06 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 35 R 8.69 4.48 0.00 1.70 1.90 0.00 3.13 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 0.00 36 N 8.05 4.75 0.00 2.90 2.99 0.00 0.00 5.97 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 8.03 3.67 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 0.90 0.00 0.00 0.97 0.00 0.00 38 E 8.34 4.10 0.00 1.99 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 0.00 2.33 2.30 0.00 39 V 7.45 3.57 2.36 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 1.47 0.00 0.00 1.02 0.00 0.00 40 L 7.97 4.28 0.00 1.84 1.87 1.04 0.85 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 41 K 9.03 3.93 0.00 1.75 2.11 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 R 8.01 3.78 0.00 1.64 1.23 0.00 3.20 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.41 0.00 43 F 8.48 4.47 0.00 3.31 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 44 L 7.13 5.16 0.00 1.64 1.59 1.05 1.04 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 45 S 8.72 4.48 0.00 3.99 4.05 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 0.00 0.00 0.00 46 E 8.75 5.15 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 47 T 7.05 4.63 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 48 G 8.00 3.96 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 0.00 49 K 7.29 4.40 0.00 1.87 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.60 7.81 50 I 8.14 4.27 1.87 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 1.32 0.71 0.92 0.00 0.00 51 L 8.36 4.54 0.00 1.73 1.65 1.02 1.03 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 52 P 0.00 4.49 0.00 2.23 2.22 0.00 3.72 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 2.09 2.01 0.00 53 R 8.37 4.51 0.00 1.91 2.04 0.00 3.43 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 54 R 8.09 3.93 0.00 1.79 2.03 0.00 3.20 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 1.65 1.75 0.00 55 R 7.33 4.52 0.00 1.95 1.89 0.00 3.42 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 56 T 8.61 4.08 4.42 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 1.49 0.00 0.00 57 G 8.16 4.31 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 0.00 58 L 7.66 4.82 0.00 1.77 1.76 0.96 0.57 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 59 S 8.56 4.35 0.00 3.91 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 60 A 8.47 4.11 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 3.86 0.00 1.74 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.53 7.81 62 E 7.75 4.34 0.00 2.30 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 0.00 2.16 2.23 0.00 63 Q 8.58 3.82 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 64 R 8.01 4.13 0.00 1.86 1.81 0.00 3.18 0.00 0.00 3.37 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 65 I 7.59 3.66 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.88 0.00 0.00 66 L 8.06 3.94 0.00 1.52 1.68 0.49 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.16 3.97 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 68 K 7.95 3.88 0.00 1.80 1.80 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.47 7.81 69 T 7.39 3.90 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 1.39 0.00 0.00 70 I 7.52 3.67 2.00 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 1.57 0.76 0.92 0.00 0.00 71 K 8.09 3.72 0.00 2.02 1.83 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.52 7.81 72 R 8.00 3.89 0.00 2.05 1.83 0.00 3.11 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 73 A 7.88 4.16 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 0.00 0.00 0.00 0.00 0.00 74 R 8.09 4.21 0.00 1.80 2.04 0.00 3.06 0.00 0.00 2.81 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 75 I 7.59 4.17 2.09 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 1.66 1.15 0.95 0.00 0.00 76 L 8.44 4.55 0.00 1.85 1.74 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.18 4.31 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 0.00 78 L 8.08 4.20 0.00 1.84 1.81 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.63 4.91 0.00 1.67 1.63 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.95 0.00 2.26 2.15 0.00 3.78 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 2.00 2.02 0.00 81 F 8.88 4.70 0.00 2.85 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 82 T 7.60 4.72 4.31 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 1.25 0.00 0.00 83 E 8.15 4.22 0.00 2.17 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 0.00 2.40 2.33 0.00 84 K 8.43 4.29 0.00 1.78 1.80 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.38 7.81 85 L 8.52 3.92 0.00 1.73 1.69 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.10 4.06 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 0.81 0.00 0.00 1.00 0.00 0.00 87 R 9.04 3.58 0.00 1.79 1.88 0.00 3.37 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 88 K 8.50 4.52 0.00 1.98 2.08 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.43 7.81