NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.4379 8.1233 123.6114 52.3186 21.2381 179.0323 5 K 3.9364 7.9173 113.9325 58.2120 32.2427 177.8309 6 W 4.2768 9.1417 129.5438 60.4253 31.2653 177.3865 7 D 4.3600 8.3470 118.5874 56.9389 40.1723 178.3292 8 Q 3.9473 8.0125 120.4445 58.7248 29.1061 177.7951 9 W 4.3763 8.0557 129.3275 60.7072 30.6843 177.7516 10 S 3.6451 7.3245 114.9319 61.6259 62.2988 176.6905 11 S 3.9979 7.6501 114.8779 61.7406 62.0764 176.1146 12 D 4.3201 8.0866 121.6840 56.8074 40.4257 178.5841 13 W 3.8759 7.8479 129.2462 60.5126 30.7676 178.1097 14 Q 3.7932 8.0754 117.9989 59.2090 28.0561 179.0139 15 T 3.8749 7.9081 116.8825 65.9928 68.4311 176.6897 16 W 4.1359 8.1802 130.4769 60.6500 30.6551 177.8489 17 N 3.8090 7.8469 116.1975 55.9453 37.9380 177.2737 18 A 3.8910 7.5573 121.9438 54.6212 18.6071 179.6625 19 K 3.7802 7.7716 118.3649 59.2625 32.2988 178.8762 20 W 3.7993 7.6548 129.0213 60.4812 30.4131 177.6714 21 D 4.3870 8.3208 119.1438 57.2616 40.1146 178.6127 22 Q 3.8368 7.8681 119.9051 58.6416 29.0356 177.8933 23 W 3.8719 7.7907 129.0668 60.3949 30.6109 177.6382 24 S 3.1938 7.7663 113.2664 61.2759 61.6751 175.9397 25 N 4.2097 7.9545 118.8779 56.4300 38.2161 177.0923 26 D 4.2572 7.9759 120.3252 57.0654 40.7924 178.7236 27 W 3.8343 7.8063 129.1660 60.4496 30.6114 177.8167 28 N 4.1902 8.5234 116.6241 56.0355 37.9323 177.3333 29 A 3.8768 7.9346 122.3138 54.7454 18.4105 179.3091 30 W 3.8567 8.1489 127.0789 60.6664 30.7362 178.1505 31 R 2.9132 7.7353 118.7305 59.0158 29.3428 178.5322 32 S 3.9925 7.8020 114.9706 61.8228 62.7793 176.5481 33 D 4.2408 7.7593 121.3774 56.7774 40.3829 178.6109 34 W 3.8277 7.5443 129.2994 60.3259 30.5130 178.0758 35 Q 3.6193 8.1729 117.7509 58.7304 28.1624 178.4047 36 A 3.8388 7.8509 121.7313 54.9906 18.3876 179.1940 37 W 3.9819 8.2443 127.0547 60.6163 30.5965 177.8529 38 K 2.8551 7.7206 119.4919 59.2756 31.4287 178.3884 39 D 4.1681 7.8957 119.0093 57.4998 40.7799 178.5231 40 D 4.2171 7.9075 119.3420 56.9090 40.7452 178.6867 41 W 3.8923 8.0845 128.9257 60.2780 30.7050 177.8460 42 A 3.4891 8.0768 120.8567 54.9657 17.6967 179.6169 43 R 3.5094 7.6974 117.0773 59.2888 30.0371 178.8784 44 W 3.3227 7.7328 118.6782 59.3158 28.8791 178.1395 45 N 4.3038 7.6196 116.5233 56.4547 37.8518 177.3925 46 Q 3.7917 7.5472 118.6881 58.8576 28.8368 178.8190 47 R 3.2533 7.4744 119.1113 59.1332 29.5575 179.2368 48 W 4.6068 7.9199 118.3651 59.4071 28.8838 178.2706 49 D 4.4172 8.1730 118.5756 57.2837 40.4175 178.0361 50 N 4.2732 7.9141 116.1186 56.1968 38.6370 177.0083 51 W 5.1705 7.6654 118.6973 60.0709 29.1594 177.8978 52 A 4.3692 7.7906 118.8781 54.3425 18.3390 177.3224 53 T 4.1257 7.6906 111.3043 61.9916 69.1382 174.5048 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 4 A 8.12 4.44 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.92 3.94 0.00 1.98 1.96 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.56 7.81 6 W 9.14 4.28 0.00 3.57 3.19 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 0.00 7 D 8.35 4.36 0.00 2.98 2.74 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 0.00 0.00 0.00 0.00 8 Q 8.01 3.95 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 9 W 8.06 4.38 0.00 3.25 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.32 3.65 0.00 3.69 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 11 S 7.65 4.00 0.00 3.88 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.09 4.32 0.00 2.66 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 13 W 7.85 3.88 0.00 1.94 2.63 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 14 Q 8.08 3.79 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 15 T 7.91 3.87 4.38 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 1.22 0.00 0.00 16 W 8.18 4.14 0.00 3.28 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 17 N 7.85 3.81 0.00 2.59 2.59 0.00 0.00 6.98 7.83 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 18 A 7.56 3.89 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 19 K 7.77 3.78 0.00 1.76 1.72 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.32 1.39 7.81 20 W 7.65 3.80 0.00 2.31 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.39 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.87 3.84 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 23 W 7.79 3.87 0.00 3.34 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 24 S 7.77 3.19 0.00 3.17 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 25 N 7.95 4.21 0.00 2.82 2.76 0.00 0.00 7.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.98 4.26 0.00 2.57 2.61 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 27 W 7.81 3.83 0.00 2.04 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.19 0.00 2.81 2.84 0.00 0.00 6.93 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.93 3.88 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 30 W 8.15 3.86 0.00 3.40 3.19 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 0.00 31 R 7.74 2.91 0.00 0.98 1.61 0.00 3.07 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.24 0.00 32 S 7.80 3.99 0.00 3.97 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.76 4.24 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.54 3.83 0.00 1.91 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 35 Q 8.17 3.62 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 36 A 7.85 3.84 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 37 W 8.24 3.98 0.00 3.32 3.15 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 38 K 7.72 2.86 0.00 0.79 1.38 0.00 1.51 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.98 1.10 7.81 39 D 7.90 4.17 0.00 2.75 2.55 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 0.00 40 D 7.91 4.22 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.08 3.89 0.00 2.02 2.31 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 42 A 8.08 3.49 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 43 R 7.70 3.51 0.00 1.71 1.72 0.00 2.66 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.26 0.00 44 W 7.73 3.32 0.00 3.02 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 0.00 0.00 0.00 45 N 7.62 4.30 0.00 2.46 2.58 0.00 0.00 7.00 7.93 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 46 Q 7.55 3.79 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 47 R 7.47 3.25 0.00 1.27 1.21 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.99 0.00 48 W 7.92 4.61 0.00 3.54 3.18 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 49 D 8.17 4.42 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.91 4.27 0.00 2.23 2.68 0.00 0.00 7.07 7.27 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 51 W 7.67 5.17 0.00 3.59 3.23 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 52 A 7.79 4.37 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 53 T 7.69 4.13 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 1.23 0.00 0.00