NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 74 K 4.1811 8.3149 122.1414 55.5047 33.4038 173.4486 75 S 4.2186 10.6535 122.7278 57.3132 61.9954 166.5984 76 S 4.4819 8.8007 119.2633 57.2384 65.7803 173.9273 77 I 4.1009 8.1806 127.0797 59.8853 36.4645 176.1002 78 S 4.2885 8.3406 121.0418 57.2871 63.4049 173.7195 79 P 4.0641 0.0000 0.0000 65.9750 30.6508 178.6536 80 Q 3.9672 7.7131 117.8870 58.8392 28.8991 177.8907 81 A 4.1357 8.6534 122.5366 54.8144 18.5093 179.6519 82 R 3.6648 7.9684 116.0155 59.3544 30.1246 178.9473 83 A 3.9951 7.7575 120.2307 54.9243 18.2876 179.3983 84 F 3.9448 7.8049 117.8829 61.3225 39.4813 176.9998 85 L 3.7212 8.3161 118.8504 57.9862 41.3721 179.4326 86 E 4.1879 8.1012 120.4777 60.2863 28.9561 180.2238 87 Q 3.9529 7.8590 120.3159 60.2028 28.1989 180.2737 88 V 3.6993 7.7299 121.1160 65.8672 31.2668 177.7664 89 F 4.4712 8.4470 122.9363 61.4630 39.2882 177.2927 90 R 4.1301 7.8313 118.8411 61.7671 29.1536 180.5776 91 R 4.3184 7.4531 116.8376 57.0853 30.1832 176.7645 92 K 4.4491 7.7325 119.0327 54.6444 34.5759 176.7702 93 Q 3.7749 8.5511 124.6034 56.9428 29.2267 175.8219 94 S 4.8496 7.8042 111.6337 56.1162 65.3704 172.6862 95 L 4.9198 8.1721 125.5643 52.5189 44.8153 176.6307 96 N 4.7708 8.7845 120.7246 51.4963 40.2242 176.4115 97 S 4.0994 8.5056 115.6273 61.8135 62.8088 176.6086 98 K 3.9163 8.0294 122.5624 59.0855 32.0242 178.5526 99 E 3.9512 9.2900 119.3978 59.1983 29.4083 179.1225 100 K 3.8136 8.3863 120.0963 59.5661 32.2639 178.4199 101 E 3.9337 8.3815 119.6782 59.2239 29.4415 178.4083 102 E 3.9565 8.1441 119.1300 59.1596 29.7037 178.9648 103 V 3.7364 8.0709 118.2416 66.0029 31.5642 177.9343 104 A 4.0980 8.3771 123.0712 55.4739 17.9296 180.5375 105 K 3.9800 7.9403 124.1092 60.5074 31.9646 182.4714 106 K 4.0923 7.9919 124.3935 59.6920 31.7895 179.1103 107 C 4.7365 7.8843 116.3639 58.1666 31.7745 173.4633 108 G 4.1670 8.4163 108.5051 45.6640 0.0000 172.7778 109 I 4.7050 7.0537 110.9875 58.4083 41.1823 174.8806 110 T 4.2812 8.0943 110.3701 60.4314 69.9092 173.7240 111 P 4.2367 0.0000 0.0000 65.8783 31.2423 178.4070 112 L 3.9688 7.9993 118.3584 58.6082 41.9211 178.9032 113 Q 4.1512 7.9464 117.3222 58.9888 28.5550 179.1326 114 V 3.8195 7.7657 118.6772 66.1709 31.7537 177.5656 115 R 3.9875 8.4254 118.7452 59.8108 29.7462 178.6371 116 V 3.6729 8.4557 118.1601 65.6280 31.5400 177.4708 117 W 4.0780 8.8814 128.5089 60.7543 30.4669 177.6656 118 F 3.8578 9.4003 117.8165 60.8402 38.3993 177.8438 119 I 3.7558 8.0530 119.1340 64.3820 36.7816 178.3505 120 N 4.1491 8.2946 117.4857 56.2346 38.2209 177.3375 121 K 3.1620 7.4403 119.7300 59.2150 31.8418 178.4306 122 R 4.0169 7.9721 119.2428 59.5141 29.8528 178.0932 123 M 3.8596 8.0533 117.5555 57.0975 33.4783 176.5159 124 R 4.6797 7.7231 114.1419 54.2233 29.0941 175.0064 125 S 4.5635 7.5070 113.2110 58.5033 69.7100 175.7301 126 K 4.0299 7.1610 125.5390 55.0397 33.8376 178.0280 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 74 K 8.31 4.18 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 75 S 10.65 4.22 0.00 4.07 4.15 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 0.00 0.00 0.00 0.00 76 S 8.80 4.48 0.00 3.79 3.68 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 0.00 0.00 0.00 0.00 77 I 8.18 4.10 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.85 0.00 0.00 78 S 8.34 4.29 0.00 3.98 3.97 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 79 P 0.00 4.06 0.00 2.18 2.17 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 80 Q 7.71 3.97 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 81 A 8.65 4.14 1.26 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 0.00 0.00 82 R 7.97 3.66 0.00 1.98 2.02 0.00 3.17 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 83 A 7.76 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.80 3.94 0.00 3.13 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 85 L 8.32 3.72 0.00 0.52 0.13 -0.20 0.90 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 E 8.10 4.19 0.00 2.15 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 2.58 2.55 0.00 87 Q 7.86 3.95 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 88 V 7.73 3.70 2.41 0.00 0.00 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 0.51 0.00 0.00 89 F 8.45 4.47 0.00 3.16 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 90 R 7.83 4.13 0.00 1.99 1.86 0.00 3.32 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 91 R 7.45 4.32 0.00 1.88 1.98 0.00 3.21 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 92 K 7.73 4.45 0.00 1.72 1.61 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.34 7.81 93 Q 8.55 3.77 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 94 S 7.80 4.85 0.00 3.81 3.69 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 95 L 8.17 4.92 0.00 1.36 1.33 0.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.78 4.77 0.00 2.98 2.93 0.00 0.00 6.65 7.22 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 97 S 8.51 4.10 0.00 4.06 4.18 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 0.00 0.00 0.00 98 K 8.03 3.92 0.00 1.84 1.94 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 99 E 9.29 3.95 0.00 2.09 1.94 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 2.32 2.57 0.00 100 K 8.39 3.81 0.00 1.78 1.89 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 101 E 8.38 3.93 0.00 2.11 1.99 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 2.30 2.36 0.00 102 E 8.14 3.96 0.00 2.33 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 2.32 2.32 0.00 103 V 8.07 3.74 2.29 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 1.17 0.00 0.00 1.11 0.00 0.00 104 A 8.38 4.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.94 3.98 0.00 1.89 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 106 K 7.99 4.09 0.00 1.83 1.77 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.37 7.81 107 C 7.88 4.74 0.00 2.94 2.86 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 0.00 108 G 8.42 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 0.00 109 I 7.05 4.70 1.89 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 1.35 0.79 0.94 0.00 0.00 110 T 8.09 4.28 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 0.00 111 P 0.00 4.24 0.00 2.19 2.17 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 112 L 8.00 3.97 0.00 1.78 1.71 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.95 4.15 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 114 V 7.77 3.82 2.40 0.00 0.00 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 1.05 0.00 0.00 115 R 8.43 3.99 0.00 1.93 2.20 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 116 V 8.46 3.67 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.01 0.00 0.00 117 W 8.88 4.08 0.00 3.64 3.60 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 0.00 118 F 9.40 3.86 0.00 3.39 3.31 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 0.00 119 I 8.05 3.76 2.10 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 1.58 0.93 0.91 0.00 0.00 120 N 8.29 4.15 0.00 2.64 2.60 0.00 0.00 6.65 8.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.44 3.16 0.00 0.79 0.74 0.00 1.01 0.00 0.00 0.82 0.00 0.00 2.41 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.30 0.21 7.81 122 R 7.97 4.02 0.00 2.24 2.03 0.00 3.29 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 123 M 8.05 3.86 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 124 R 7.72 4.68 0.00 1.78 1.81 0.00 3.02 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.31 0.00 125 S 7.51 4.56 0.00 3.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.16 4.03 0.00 1.91 1.65 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.16 0.98 7.81