NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1465 8.3101 121.7875 56.3918 34.0650 175.3777 20 A 4.2181 7.2395 114.7610 49.9521 19.6054 172.9503 21 K 4.3776 8.0192 120.7940 56.0904 34.2488 176.2152 22 V 3.5215 8.0913 123.2377 65.2652 31.1799 178.1553 23 K 4.0224 7.4702 118.0108 59.5728 32.1697 178.3124 24 A 4.1971 7.8813 119.2757 55.3483 18.5761 179.1803 25 T 3.8820 7.4763 112.5268 64.8635 68.8470 174.5379 26 L 4.7903 6.8071 119.7386 52.4343 44.5874 178.4519 27 G 4.1006 8.3900 115.2597 45.2327 0.0000 172.9676 28 E 4.1850 8.8293 125.3823 55.8950 30.3745 176.4064 29 F 4.7784 7.7860 118.8626 55.6982 40.6260 173.7092 30 D 4.4089 8.6857 123.7738 53.7153 39.8520 176.2885 31 L 4.4407 8.1208 125.7837 56.7583 40.7922 177.8734 32 R 4.1988 7.9863 119.3761 57.3624 30.5796 175.8991 33 D 4.3400 7.6664 116.8234 54.2064 41.7385 175.1698 34 Y 4.7592 7.3460 121.0093 56.8034 38.4512 176.1622 35 R 4.5437 7.8101 118.8266 56.8416 32.9550 177.1235 36 N 4.7322 7.3728 115.0233 52.4740 33.3362 176.2379 37 V 3.6560 7.7042 116.1675 65.2681 31.9122 178.0402 38 E 3.8801 8.0622 117.7422 59.3285 29.8499 178.4729 39 V 3.5862 7.7083 118.1144 66.2139 31.5307 177.8673 40 L 4.2569 7.9873 118.0356 57.8547 41.1086 179.3029 41 K 3.9096 8.4726 119.7795 59.4553 31.7938 178.6108 42 R 3.5983 7.8900 117.9230 58.5441 30.3078 177.7074 43 F 4.4516 8.4719 117.7421 59.1911 39.0465 176.8229 44 L 4.7518 7.7750 116.7830 53.1961 41.7812 178.1198 45 S 3.6748 7.7956 113.4566 59.2847 63.0558 171.9120 46 E 4.8156 7.9447 113.3961 56.0694 29.8659 176.6143 47 T 4.5796 7.7706 105.7478 61.1095 72.3317 175.2734 48 G 4.0087 7.9588 110.7568 45.1379 0.0000 174.2790 49 K 3.9193 7.4701 119.0744 56.4178 32.3570 176.0426 50 I 4.1050 8.2431 124.3737 61.0886 37.0035 175.7752 51 L 4.1048 8.2870 127.2364 54.5140 42.5447 175.9281 52 P 4.4595 0.0000 0.0000 62.6395 32.4413 177.2551 53 R 4.2553 8.5357 119.0880 58.6350 30.2125 177.7220 54 R 4.2731 7.9436 114.4157 56.6747 29.7047 176.6616 55 R 4.4959 7.8232 116.8698 57.9938 33.7632 177.6268 56 T 3.9868 8.1541 107.6793 62.4377 69.3156 174.8519 57 G 4.0265 7.8933 109.3124 46.5439 0.0000 173.1844 58 L 4.6371 7.7016 117.5964 52.7437 44.0114 177.0224 59 S 4.3992 8.5722 114.5338 57.5046 64.1819 174.7475 60 A 3.9686 8.4264 125.3049 55.2908 17.9158 179.7084 61 K 3.8675 8.0135 117.4304 59.6022 32.2437 178.7263 62 E 3.9799 8.0225 118.3190 59.5504 29.6282 178.7161 63 Q 3.9969 8.3764 119.9000 60.1144 28.8804 177.8653 64 R 4.0657 7.9967 119.8706 58.0860 30.0013 178.3727 65 I 3.6159 7.8264 113.1753 64.5715 37.4455 177.6721 66 L 3.8024 7.9523 122.1378 58.0071 41.8321 178.6045 67 A 3.9165 8.1318 120.5773 54.9425 18.3752 179.1285 68 K 3.7785 8.3106 118.8031 60.3068 32.1554 179.0620 69 T 3.9663 7.8994 109.2376 64.6563 68.7014 176.1203 70 I 3.6188 7.9382 123.0567 64.4589 37.2113 178.1879 71 K 3.7415 8.2337 118.9936 59.5266 31.6801 179.3275 72 R 3.7877 7.4518 116.3364 59.3332 30.3323 178.4623 73 A 4.1539 8.2285 120.4570 55.4800 18.3150 179.7655 74 R 4.5468 7.7074 117.7029 58.9793 29.7234 179.4124 75 I 4.0174 7.4357 118.8156 64.0884 36.8874 177.5426 76 L 4.3590 7.7942 117.7435 54.8498 41.2468 178.6354 77 G 4.0647 7.9420 108.6937 45.5265 0.0000 174.5814 78 L 3.9097 6.6151 118.2010 58.0480 42.2874 177.1805 79 L 4.1480 7.5372 118.0894 54.0250 42.6860 175.6264 80 P 4.9692 0.0000 0.0000 62.7248 32.1996 175.9578 81 F 4.4331 8.4184 116.6698 59.3556 40.4475 176.5590 82 T 4.7526 7.3112 112.4227 62.7284 71.9722 172.8330 83 E 4.8322 8.6507 121.5720 54.0205 32.7341 175.6696 84 K 3.9753 8.8297 120.6595 56.6593 32.9884 176.4545 85 L 3.9616 8.4653 125.7890 54.8904 42.1877 177.2103 86 V 3.8293 8.2545 119.6084 60.4654 32.2842 175.5509 87 R 3.7519 8.4096 120.0367 56.9978 30.0503 175.9929 88 K 4.1729 8.6144 122.8875 57.1286 32.9154 176.5041 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 4.15 0.00 1.71 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.24 4.22 1.21 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 0.00 0.00 0.00 21 K 8.02 4.38 0.00 1.78 1.76 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.44 7.81 22 V 8.09 3.52 1.93 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 -0.05 0.00 0.00 0.79 0.00 0.00 23 K 7.47 4.02 0.00 2.12 1.88 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.58 7.81 24 A 7.88 4.20 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 25 T 7.48 3.88 4.13 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 1.13 0.00 0.00 26 L 6.81 4.79 0.00 1.31 1.34 0.43 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.39 4.10 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 0.00 28 E 8.83 4.19 0.00 1.96 1.90 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 2.27 2.25 0.00 29 F 7.79 4.78 0.00 3.16 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 30 D 8.69 4.41 0.00 2.76 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 8.12 4.44 0.00 1.83 1.75 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.99 4.20 0.00 1.82 2.02 0.00 3.24 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 33 D 7.67 4.34 0.00 2.77 2.47 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 0.00 34 Y 7.35 4.76 0.00 3.03 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 35 R 7.81 4.54 0.00 1.70 1.99 0.00 3.24 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 36 N 7.37 4.73 0.00 2.97 3.01 0.00 0.00 6.78 7.55 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 37 V 7.70 3.66 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 0.93 0.00 0.00 0.94 0.00 0.00 38 E 8.06 3.88 0.00 1.93 1.95 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 2.27 2.40 0.00 39 V 7.71 3.59 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 0.61 0.00 0.00 0.86 0.00 0.00 40 L 7.99 4.26 0.00 1.77 1.74 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.47 3.91 0.00 2.04 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 R 7.89 3.60 0.00 1.75 1.32 0.00 3.17 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 43 F 8.47 4.45 0.00 3.26 3.08 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 44 L 7.77 4.75 0.00 1.60 1.68 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.80 3.67 0.00 4.10 3.91 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 0.00 0.00 0.00 46 E 7.94 4.82 0.00 1.90 1.95 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 2.22 2.33 0.00 47 T 7.77 4.58 4.25 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 1.22 0.00 0.00 48 G 7.96 4.01 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 0.00 0.00 0.00 49 K 7.47 3.92 0.00 1.89 1.77 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 50 I 8.24 4.11 1.87 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 1.32 0.70 0.91 0.00 0.00 51 L 8.29 4.10 0.00 1.81 1.67 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.46 0.00 2.09 2.02 0.00 3.61 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 2.13 2.11 0.00 53 R 8.54 4.26 0.00 1.86 1.94 0.00 3.23 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 54 R 7.94 4.27 0.00 1.84 1.95 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 55 R 7.82 4.50 0.00 1.95 1.88 0.00 3.29 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 56 T 8.15 3.99 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 57 G 7.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.64 0.00 1.84 1.69 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.57 4.40 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 3.97 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 61 K 8.01 3.87 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 8.02 3.98 0.00 2.24 1.96 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 2.37 2.35 0.00 63 Q 8.38 4.00 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 64 R 8.00 4.07 0.00 2.02 1.83 0.00 3.20 0.00 0.00 3.21 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 65 I 7.83 3.62 1.85 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 1.65 0.66 0.90 0.00 0.00 66 L 7.95 3.80 0.00 1.75 1.77 0.35 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.13 3.92 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 68 K 8.31 3.78 0.00 1.97 1.96 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 69 T 7.90 3.97 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 1.38 0.00 0.00 70 I 7.94 3.62 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.68 0.84 0.00 0.00 71 K 8.23 3.74 0.00 1.88 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.63 7.81 72 R 7.45 3.79 0.00 1.89 1.75 0.00 3.20 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 73 A 8.23 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.55 0.00 1.35 0.90 0.00 2.88 0.00 0.00 2.74 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.54 0.00 75 I 7.44 4.02 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.74 0.93 0.00 0.00 76 L 7.79 4.36 0.00 1.82 1.70 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.94 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 78 L 6.62 3.91 0.00 1.71 1.65 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.54 4.15 0.00 1.72 1.49 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.97 0.00 2.06 2.05 0.00 3.63 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 2.03 2.12 0.00 81 F 8.42 4.43 0.00 2.98 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.75 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 1.30 0.00 0.00 83 E 8.65 4.83 0.00 1.91 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 2.24 2.27 0.00 84 K 8.83 3.98 0.00 1.67 1.81 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 85 L 8.47 3.96 0.00 1.59 1.60 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.25 3.83 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 0.73 0.00 0.00 0.93 0.00 0.00 87 R 8.41 3.75 0.00 1.76 1.89 0.00 3.39 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 88 K 8.61 4.17 0.00 1.90 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.43 7.81