NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3755 8.2644 123.5845 52.3738 19.5840 175.1276 3 R 4.1718 7.7491 121.1458 56.1629 32.3528 174.1060 4 K 3.9138 7.9060 121.1514 57.6688 33.8605 177.6550 5 A 3.9579 8.1220 119.4162 55.4158 18.8630 179.1544 6 L 4.0588 8.1575 117.0811 58.2291 41.5443 179.4429 7 I 4.0628 7.5241 108.0092 61.8173 37.5507 175.0075 8 E 4.3700 7.8651 119.8655 58.1212 31.8010 177.0127 9 K 4.3246 9.3848 118.3918 55.1569 30.5118 175.7791 10 A 4.4229 7.1881 119.0887 53.0788 25.4595 178.1520 11 K 3.9847 8.3142 115.6205 58.7041 32.3687 177.4349 12 R 4.2780 7.6736 117.8922 55.2713 29.7872 176.4249 13 T 3.8847 8.8291 120.9265 65.3579 69.8376 175.7167 14 P 4.0225 0.0000 0.0000 62.2998 33.0620 175.8260 15 K 3.5899 8.7287 129.7506 56.1917 33.4819 176.7871 16 F 3.5411 6.1749 118.2245 56.4867 38.3722 176.3836 17 K 4.4402 8.5781 124.5540 57.5519 32.6465 177.8226 18 V 4.2422 7.8218 121.1215 64.6832 32.8771 176.8933 19 R 4.1978 8.1161 116.7336 57.7154 30.3519 176.1279 20 A 3.9762 7.9624 120.5224 51.8610 19.1313 174.8177 21 Y 4.5150 7.0333 114.7359 57.6435 40.4147 172.6244 22 T 4.2989 8.6979 110.8608 60.7401 70.2295 173.6679 23 R 5.0530 8.5208 126.2002 56.3880 31.7572 172.2697 24 C 3.7352 8.1512 127.7252 59.2179 31.0687 174.5060 25 V 3.5988 8.1817 128.8924 65.2109 31.1682 176.0774 26 R 4.1493 7.1413 113.7661 56.8879 30.4724 176.2252 27 C 4.2244 8.7801 121.5345 58.3488 29.2115 176.4953 28 G 3.8554 8.1083 114.9247 47.2933 0.0000 172.2115 29 R 3.7826 10.6400 120.6919 55.6553 31.1269 175.8390 30 A 4.7057 8.4191 124.2413 51.6039 20.2037 175.8567 31 R 4.6038 7.5671 115.3223 56.7935 34.5480 174.4319 32 S 3.6389 8.4962 111.6982 59.5399 60.8012 172.3003 33 V 4.8907 7.7273 111.5538 59.8286 33.1477 175.5166 34 Y 4.4072 9.2770 123.9896 56.9536 38.6495 176.3260 35 R 3.9565 8.9619 124.8997 59.6539 30.6490 177.7779 36 F 4.0420 8.3827 118.6721 61.2803 39.5146 176.4341 37 F 4.5659 8.8386 116.6746 57.7277 39.8467 176.0771 38 G 3.9466 9.7440 108.5268 46.2485 0.0000 172.8103 39 L 5.0896 7.7497 116.7580 52.7179 46.2702 175.6914 40 C 5.0331 8.4642 115.7309 57.4030 30.7146 174.8861 41 R 3.8843 8.5055 119.4090 59.4190 29.0950 178.4913 42 I 3.9532 7.6656 121.0588 64.0022 37.3207 177.2108 43 C 4.0117 7.9873 116.7184 63.7428 28.0717 175.0261 44 L 3.4713 8.1535 119.3962 59.4121 40.9223 178.3264 45 R 3.7542 7.7384 118.8794 58.5163 30.2224 178.6574 46 E 3.8652 7.6059 117.2924 59.7028 29.7917 178.4153 47 L 4.1886 8.1050 118.6801 57.2040 41.8079 178.8321 48 A 3.5226 8.3873 121.4231 55.5307 18.2572 177.9066 49 H 4.5902 7.5966 109.6950 56.3375 29.1442 176.0327 50 K 4.2744 8.4972 120.0144 56.9071 33.2845 176.6985 51 G 4.1267 8.7695 108.3967 46.4443 0.0000 175.6126 52 Q 3.9655 8.0771 116.7927 57.2541 29.2112 177.1464 53 L 4.6201 8.5417 120.3491 51.7722 41.7485 173.5771 54 P 4.2025 0.0000 0.0000 64.1698 31.6626 176.9910 55 G 3.8407 8.8076 109.1860 46.0048 0.0000 173.2641 56 V 3.9671 7.5263 119.8984 61.4963 31.4184 175.0740 57 R 4.4698 8.2888 128.0496 54.3249 31.2987 176.6081 58 K 4.0658 8.6370 127.3263 56.0352 29.8175 174.9032 59 A 3.9959 7.3196 125.6610 50.4320 19.8036 176.7328 60 S 4.8146 8.2191 115.3176 57.9999 64.5855 176.8806 61 W 3.9341 8.1088 120.0677 57.4948 27.2256 174.3265 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 2 A 8.26 4.38 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.75 4.17 0.00 1.82 1.89 0.00 3.26 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 4 K 7.91 3.91 0.00 1.88 1.66 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.51 7.81 5 A 8.12 3.96 1.35 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 0.00 0.00 0.00 6 L 8.16 4.06 0.00 1.90 1.83 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.52 4.06 1.90 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 0.54 1.03 0.00 0.00 8 E 7.87 4.37 0.00 2.08 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 2.18 2.23 0.00 9 K 9.38 4.32 0.00 1.77 1.81 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.39 7.81 10 A 7.19 4.42 1.10 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 11 K 8.31 3.98 0.00 1.84 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 R 7.67 4.28 0.00 1.74 1.86 0.00 3.23 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 13 T 8.83 3.88 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14 P 0.00 4.02 0.00 2.07 1.85 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 15 K 8.73 3.59 0.00 1.72 1.11 0.00 1.77 0.00 0.00 1.44 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.44 7.81 16 F 6.17 3.54 0.00 3.19 3.29 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 17 K 8.58 4.44 0.00 1.89 1.92 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 V 7.82 4.24 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 0.83 0.00 0.00 0.98 0.00 0.00 19 R 8.12 4.20 0.00 1.96 2.11 0.00 3.48 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 20 A 7.96 3.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.03 4.52 0.00 3.04 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 22 T 8.70 4.30 4.34 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 1.29 0.00 0.00 23 R 8.52 5.05 0.00 1.98 1.99 0.00 3.71 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 24 C 8.15 3.74 0.00 3.07 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 25 V 8.18 3.60 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 0.87 0.00 0.00 0.97 0.00 0.00 26 R 7.14 4.15 0.00 1.97 1.83 0.00 3.13 0.00 0.00 3.28 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 27 C 8.78 4.22 0.00 3.14 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 28 G 8.11 3.86 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 0.00 0.00 0.00 29 R 10.64 3.78 0.00 2.06 1.86 0.00 3.11 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 30 A 8.42 4.71 1.22 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 31 R 7.57 4.60 0.00 1.76 1.78 0.00 3.36 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 32 S 8.50 3.64 0.00 4.03 3.93 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 0.00 0.00 0.00 0.00 33 V 7.73 4.89 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 0.89 0.00 0.00 1.01 0.00 0.00 34 Y 9.28 4.41 0.00 3.19 3.12 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 35 R 8.96 3.96 0.00 1.89 2.06 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 36 F 8.38 4.04 0.00 3.05 3.13 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 0.00 37 F 8.84 4.57 0.00 3.28 3.13 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 0.00 38 G 9.74 3.95 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 0.00 0.00 0.00 39 L 7.75 5.09 0.00 1.68 1.51 0.88 0.88 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 40 C 8.46 5.03 0.00 3.16 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 41 R 8.51 3.88 0.00 2.03 2.33 0.00 3.10 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 42 I 7.67 3.95 1.88 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 1.64 0.91 0.91 0.00 0.00 43 C 7.99 4.01 0.00 2.95 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 44 L 8.15 3.47 0.00 1.44 1.52 0.36 0.28 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 45 R 7.74 3.75 0.00 1.86 1.87 0.00 3.23 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 46 E 7.61 3.87 0.00 2.10 1.97 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 2.33 2.50 0.00 47 L 8.11 4.19 0.00 1.61 1.67 0.90 0.93 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 48 A 8.39 3.52 1.13 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 0.00 0.00 0.00 49 H 7.60 4.59 0.00 2.98 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.50 4.27 0.00 1.74 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.61 7.81 51 G 8.77 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 0.00 0.00 0.00 0.00 52 Q 8.08 3.97 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 53 L 8.54 4.62 0.00 1.61 1.62 0.33 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.20 0.00 2.12 2.07 0.00 3.98 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 55 G 8.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.53 3.97 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 0.74 0.00 0.00 1.18 0.00 0.00 57 R 8.29 4.47 0.00 1.82 1.83 0.00 3.32 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 58 K 8.64 4.07 0.00 1.73 1.75 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 A 7.32 4.00 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 60 S 8.22 4.81 0.00 3.86 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 61 W 8.11 3.93 0.00 3.41 3.17 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