NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3860 0.0000 0.0000 62.7776 33.5695 174.6661 2 Y 4.9074 8.6003 118.1009 55.4681 40.3307 169.9049 3 V 4.5171 9.9515 126.5625 61.3530 34.6851 173.8764 4 T 5.1424 8.7447 124.2264 61.8608 70.9276 173.5412 5 V 4.2672 9.0486 127.4074 61.0742 33.6164 174.1152 6 K 5.1688 8.6814 130.1310 55.0096 33.4781 174.8389 7 M 4.8360 9.0376 124.3887 53.3452 35.2259 174.4250 8 L 4.5491 8.2770 119.1566 54.6142 42.4567 177.2036 9 E 3.9730 8.6208 121.6565 57.2375 29.6817 175.8359 10 G 3.5376 9.0957 113.8145 46.0430 0.0000 175.3080 11 R 4.1856 7.6740 118.8061 56.2534 30.8392 177.0183 12 T 4.3150 8.6495 112.1652 60.9985 71.3187 175.5130 13 D 4.3267 8.5080 120.0229 57.2994 41.1577 177.8531 14 E 3.8894 8.0741 119.4368 59.4368 29.7139 178.5907 15 Q 4.0281 8.0119 118.0321 59.0017 28.7513 179.1317 16 K 3.9807 8.0588 119.4796 59.3141 32.1761 179.3771 17 R 3.8934 7.9396 119.1098 59.5499 29.9625 178.4203 18 N 4.3771 8.2847 116.3433 55.9052 38.4436 177.1309 19 L 3.9058 8.2224 122.2204 58.2244 42.2031 179.2120 20 V 3.6095 7.9742 120.4988 66.5779 31.4524 178.5051 21 E 3.9137 8.0185 117.4169 61.1122 29.6021 180.9619 22 K 4.1403 8.3580 120.3547 59.2977 32.1737 179.6795 23 V 3.5717 7.9966 118.5640 66.3108 31.3494 178.1953 24 T 3.8538 7.9035 115.5440 66.5695 68.1901 176.3053 25 E 3.8847 8.3603 121.0690 59.0384 29.5124 178.6553 26 A 3.9541 8.2433 121.1488 55.0918 18.4667 179.8317 27 V 3.4995 7.8230 116.6488 65.9425 31.7064 177.9810 28 K 4.1603 8.1989 123.2844 59.7552 31.8517 179.1320 29 E 4.1281 8.3114 116.5243 60.1850 29.7507 179.5003 30 T 4.6145 7.4635 109.7940 62.7927 68.4533 174.7017 31 T 4.3953 8.1180 108.1769 60.7040 70.3612 175.2189 32 G 3.8948 8.0798 109.7119 45.0015 0.0000 173.8447 33 A 4.0371 7.5482 123.0390 52.1753 19.1993 176.8149 34 S 4.4345 8.4508 115.9883 57.4176 63.7164 174.7236 35 E 3.8708 9.0403 127.2449 59.7899 29.2491 178.9916 36 E 4.1141 8.2524 115.2698 58.0944 29.8016 177.6787 37 K 4.3114 8.3453 120.4881 54.2807 32.5418 180.9477 38 I 4.4154 7.4094 120.5419 60.7836 38.3428 175.2020 39 V 4.2263 8.2712 128.0263 60.8399 33.9324 174.5411 40 V 4.8911 7.9945 126.2677 61.1103 34.1415 174.2735 41 F 5.0054 9.8433 126.7288 55.7675 41.8823 174.3517 42 I 4.9913 8.5253 123.1535 59.5962 39.5228 174.7494 43 E 4.7101 9.4118 126.2541 54.6451 32.6035 174.7311 44 E 5.1594 8.9020 123.9088 55.2905 31.6192 175.3247 45 M 4.8256 8.8465 122.5217 53.7477 35.7599 174.9447 46 R 4.8610 8.2713 119.1171 54.4862 32.4996 178.0116 47 K 3.9761 8.8436 121.8067 59.1720 32.2800 178.0271 48 D 4.9731 7.8966 115.2657 53.0260 39.7176 176.2237 49 H 5.0096 8.4413 115.8015 55.6897 29.8895 172.7772 50 Y 4.8058 7.9465 120.9079 55.6410 41.1873 173.9516 51 A 4.8895 7.9653 128.4714 50.2026 22.7238 175.0286 52 V 4.1025 7.6317 118.4320 62.0446 34.4390 175.5967 53 A 3.5444 9.4942 128.5739 53.4043 15.8198 178.1683 54 G 3.8290 8.6525 107.8485 47.5805 0.0000 174.8850 55 K 4.5123 7.7183 121.3485 52.0737 34.5230 180.8600 56 R 4.4720 8.3660 123.4890 54.9692 30.9898 177.9988 57 L 4.0149 8.6688 121.3614 57.9322 41.8344 179.4807 58 S 4.4105 8.1820 111.5480 59.7298 63.1241 174.7774 59 D 4.9811 7.9486 119.9110 54.2923 41.4796 176.0731 60 M 4.4024 7.7312 119.5351 54.8181 32.8367 176.2496 61 E 4.2441 8.3999 118.9225 56.6420 29.9361 175.1998 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 1 P 0.00 4.39 0.00 2.09 2.23 0.00 3.57 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 1.89 1.97 0.00 2 Y 8.60 4.91 0.00 3.05 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.95 4.52 2.13 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 1.02 0.00 0.00 0.95 0.00 0.00 4 T 8.74 5.14 4.28 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 1.28 0.00 0.00 5 V 9.05 4.27 2.11 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 0.93 0.00 0.00 0.96 0.00 0.00 6 K 8.68 5.17 0.00 1.78 1.66 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.38 7.81 7 M 9.04 4.84 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 8 L 8.28 4.55 0.00 1.49 1.61 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.62 3.97 0.00 1.85 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 2.34 2.51 0.00 10 G 9.10 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.19 0.00 1.79 1.88 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 12 T 8.65 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 D 8.51 4.33 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 3.89 0.00 2.03 1.92 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 0.00 2.37 2.34 0.00 15 Q 8.01 4.03 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 8.06 3.98 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.61 7.81 17 R 7.94 3.89 0.00 1.89 2.12 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 18 N 8.28 4.38 0.00 2.97 2.84 0.00 0.00 6.66 6.11 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 19 L 8.22 3.91 0.00 1.80 1.86 0.92 0.88 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 20 V 7.97 3.61 2.20 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 0.89 0.00 0.00 0.93 0.00 0.00 21 E 8.02 3.91 0.00 2.05 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 2.24 2.22 0.00 22 K 8.36 4.14 0.00 1.76 1.88 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.59 7.81 23 V 8.00 3.57 2.20 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 1.03 0.00 0.00 0.94 0.00 0.00 24 T 7.90 3.85 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 1.17 0.00 0.00 25 E 8.36 3.88 0.00 2.16 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 0.00 2.29 2.46 0.00 26 A 8.24 3.95 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 27 V 7.82 3.50 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 0.96 0.00 0.00 0.97 0.00 0.00 28 K 8.20 4.16 0.00 1.83 1.92 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 29 E 8.31 4.13 0.00 2.10 1.85 0.00 0.00 0.00 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 30 T 7.46 4.61 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 1.30 0.00 0.00 31 T 8.12 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 32 G 8.08 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.55 4.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.43 0.00 3.85 3.83 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 0.00 0.00 0.00 0.00 35 E 9.04 3.87 0.00 2.03 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 2.39 2.32 0.00 36 E 8.25 4.11 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 37 K 8.35 4.31 0.00 1.72 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.24 7.81 38 I 7.41 4.42 1.90 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 1.03 1.15 0.83 0.00 0.00 39 V 8.27 4.23 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 0.49 0.00 0.00 0.77 0.00 0.00 40 V 7.99 4.89 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 0.88 0.00 0.00 0.88 0.00 0.00 41 F 9.84 5.01 0.00 3.01 2.92 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 0.00 0.00 0.00 0.00 42 I 8.53 4.99 1.91 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 1.37 0.61 0.93 0.00 0.00 43 E 9.41 4.71 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 44 E 8.90 5.16 0.00 1.85 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 2.23 2.33 0.00 45 M 8.85 4.83 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 46 R 8.27 4.86 0.00 1.69 1.98 0.00 3.12 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 47 K 8.84 3.98 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.46 7.81 48 D 7.90 4.97 0.00 2.77 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 49 H 8.44 5.01 0.00 3.29 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.95 4.81 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.97 4.89 1.08 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 0.00 0.00 52 V 7.63 4.10 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 0.92 0.00 0.00 0.62 0.00 0.00 53 A 9.49 3.54 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 54 G 8.65 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.72 4.51 0.00 1.68 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.23 7.81 56 R 8.37 4.47 0.00 1.86 1.89 0.00 3.26 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 57 L 8.67 4.01 0.00 2.01 1.80 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.18 4.41 0.00 4.05 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 59 D 7.95 4.98 0.00 2.80 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 60 M 7.73 4.40 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.46 0.00 61 E 8.40 4.24 0.00 2.00 1.84 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 2.16 2.28 0.00