NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5503 0.0000 0.0000 62.7596 33.6784 174.1803 2 F 5.2833 8.6850 121.2099 56.0462 42.0820 172.3618 3 I 4.2032 8.2368 126.3070 59.2294 41.0805 173.2292 4 N 5.0196 8.3873 125.4195 51.7873 40.9695 173.2833 5 I 4.4821 8.5566 127.5908 59.4577 39.7616 174.7127 6 K 5.2352 8.7480 126.6372 54.5236 34.1344 175.4138 7 L 4.7949 8.9369 124.2295 54.3369 44.8066 174.8785 8 V 5.3463 7.8406 119.0498 59.7031 32.7337 173.6291 9 P 4.5417 0.0000 0.0000 63.6538 31.9816 176.4283 10 E 4.4682 8.9268 121.0158 56.5237 34.0956 174.3237 11 N 4.2631 9.6978 116.3592 53.3904 34.2475 172.6340 12 G 4.0102 8.0872 107.9473 45.8899 0.0000 171.5924 13 G 4.1909 7.6819 106.5051 43.0758 0.0000 171.2253 14 P 4.7974 0.0000 0.0000 62.1159 32.5713 176.7318 15 T 4.3584 8.7178 111.5834 60.9838 71.3816 175.7746 16 N 4.3161 8.5352 118.5147 56.5040 38.5398 177.5159 17 E 3.9768 8.1150 119.5654 59.5225 29.5544 179.2667 18 Q 4.0179 8.0423 118.1403 58.8535 28.6749 178.8833 19 K 3.9816 8.2491 119.7498 59.4745 31.9663 179.4378 20 Q 4.0006 8.2053 118.5028 59.0306 28.6200 178.8059 21 Q 3.9917 7.9776 119.0816 58.7732 28.6793 178.5858 22 L 3.9447 8.1361 121.5036 58.0698 42.2330 179.1073 23 I 3.6546 8.0470 120.1065 64.4815 37.0382 178.1259 24 E 4.0553 8.6165 120.6994 59.0146 29.4979 179.0575 25 G 3.5448 8.5624 106.2041 47.8784 0.0000 175.9219 26 V 3.6146 7.9464 121.2980 65.5802 31.6093 178.3109 27 S 4.1078 7.9945 114.7277 61.8031 62.6375 176.4371 28 D 4.3853 8.3475 121.7393 57.1271 40.4085 178.5900 29 L 3.9458 7.8736 120.8459 58.4563 42.1086 179.0114 30 M 4.0413 7.8906 118.3939 58.1526 31.8650 178.8617 31 V 3.5743 7.6891 118.1182 66.0136 31.5463 178.2993 32 K 3.9621 8.0717 117.0011 59.5402 32.0177 179.2861 33 V 3.8209 7.8863 117.2813 64.8099 31.6673 176.4971 34 L 4.5151 7.7531 114.9577 53.5183 42.7441 175.5782 35 N 4.3010 8.1637 116.1045 54.4315 37.6171 174.3512 36 K 4.2506 7.9747 114.3074 55.4624 33.3088 176.1231 37 N 4.6311 8.4220 119.4125 52.3753 39.8847 175.4877 38 K 3.7876 8.9967 126.9892 59.6074 32.3644 178.1788 39 A 3.9718 8.1350 120.0070 54.8821 18.1657 177.9269 40 S 4.5947 7.7134 107.6959 58.3007 63.4974 173.8548 41 I 4.3567 7.7780 123.2845 60.9083 37.9063 175.3167 42 V 4.4761 8.5220 126.7545 61.0156 33.9971 174.3275 43 V 4.8215 8.4740 126.8599 61.1054 34.4089 174.4106 44 I 4.6536 8.6179 127.7683 59.5418 40.7219 174.2194 45 I 4.8222 8.5042 127.2905 59.6897 39.2517 174.5069 46 D 4.9770 9.2008 127.6996 52.5597 43.3582 175.1378 47 E 4.9742 8.8236 123.0873 55.0433 31.1327 175.4032 48 V 4.4331 9.2451 126.3692 60.6307 34.0959 174.7491 49 D 4.6979 8.7574 127.2664 54.1186 41.8277 177.1845 50 S 4.1466 8.8056 120.2270 61.3525 63.0105 175.4328 51 N 4.7133 8.7681 116.6646 54.1640 38.4739 175.1092 52 N 4.8073 8.3083 115.0084 52.8802 39.9053 173.6834 53 Y 4.4942 8.0157 120.8539 55.4623 40.4182 174.1603 54 G 4.4184 8.3924 115.8685 43.5519 0.0000 172.1811 55 L 4.5144 9.2664 125.7194 54.0884 44.2320 176.4723 56 G 3.7446 9.5462 114.4969 46.6111 0.0000 173.9815 57 G 3.9488 9.0708 110.2369 45.2528 0.0000 174.2191 58 E 4.8308 7.8385 114.9812 53.6880 34.0000 180.4608 59 S 5.0630 8.2370 112.2775 58.0261 64.7407 175.4911 60 V 3.6334 8.8186 122.4915 66.6891 31.0094 178.1454 61 H 4.1218 8.1573 117.8940 59.4467 29.5039 176.7429 62 H 4.3561 8.2160 119.0337 58.6151 29.8133 176.4525 63 L 4.1645 7.7669 118.3245 54.3487 43.0703 175.6635 64 R 3.3922 7.6221 115.8750 56.5183 26.6014 173.6326 65 Q 3.2513 9.1077 127.9143 56.5777 29.4450 173.8120 66 K 4.1320 8.5186 125.4168 55.0123 31.6275 172.4767 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 4.55 0.00 2.16 2.31 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 2 F 8.68 5.28 0.00 3.03 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 3 I 8.24 4.20 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.37 0.77 0.00 0.00 4 N 8.39 5.02 0.00 2.45 2.60 0.00 0.00 7.05 7.94 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 5 I 8.56 4.48 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.90 0.00 0.00 6 K 8.75 5.24 0.00 1.69 1.81 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 7 L 8.94 4.79 0.00 1.67 1.70 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.84 5.35 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 1.21 0.00 0.00 0.74 0.00 0.00 9 P 0.00 4.54 0.00 1.97 2.07 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 10 E 8.93 4.47 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 11 N 9.70 4.26 0.00 2.81 2.81 0.00 0.00 6.72 7.51 0.00 0.00 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 G 8.09 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 13 G 7.68 4.19 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 0.00 0.00 0.00 14 P 0.00 4.80 0.00 2.18 2.04 0.00 3.75 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 1.96 1.94 0.00 15 T 8.72 4.36 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 16 N 8.54 4.32 0.00 2.75 2.91 0.00 0.00 6.81 7.66 0.00 0.00 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 E 8.11 3.98 0.00 2.05 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 2.40 2.46 0.00 18 Q 8.04 4.02 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 19 K 8.25 3.98 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.73 7.81 20 Q 8.21 4.00 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 21 Q 7.98 3.99 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 22 L 8.14 3.94 0.00 2.01 1.64 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.05 3.65 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.08 0.91 0.00 0.00 24 E 8.62 4.06 0.00 2.11 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 2.45 2.32 0.00 25 G 8.56 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 26 V 7.95 3.61 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 0.98 0.00 0.00 0.93 0.00 0.00 27 S 7.99 4.11 0.00 4.12 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 28 D 8.35 4.39 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 3.95 0.00 1.89 1.85 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.89 4.04 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 31 V 7.69 3.57 2.26 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 1.03 0.00 0.00 1.03 0.00 0.00 32 K 8.07 3.96 0.00 1.82 1.85 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.49 7.81 33 V 7.89 3.82 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 0.99 0.00 0.00 34 L 7.75 4.52 0.00 1.77 1.66 0.93 0.82 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 35 N 8.16 4.30 0.00 2.84 2.89 0.00 0.00 7.17 6.07 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 36 K 7.97 4.25 0.00 1.79 1.73 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.37 7.81 37 N 8.42 4.63 0.00 2.76 2.69 0.00 0.00 6.51 6.01 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 38 K 9.00 3.79 0.00 1.83 1.81 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.46 7.81 39 A 8.14 3.97 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 40 S 7.71 4.59 0.00 3.99 3.98 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 0.00 0.00 0.00 41 I 7.78 4.36 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.91 0.00 0.00 42 V 8.52 4.48 2.30 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 1.12 0.00 0.00 1.00 0.00 0.00 43 V 8.47 4.82 2.06 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 0.81 0.00 0.00 0.88 0.00 0.00 44 I 8.62 4.65 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.98 0.00 0.00 45 I 8.50 4.82 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.91 0.00 0.00 46 D 9.20 4.98 0.00 2.57 2.59 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 0.00 0.00 0.00 0.00 47 E 8.82 4.97 0.00 1.86 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 2.25 2.30 0.00 48 V 9.25 4.43 2.27 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 1.07 0.00 0.00 1.02 0.00 0.00 49 D 8.76 4.70 0.00 2.74 2.56 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 0.00 50 S 8.81 4.15 0.00 4.07 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 51 N 8.77 4.71 0.00 2.83 2.89 0.00 0.00 6.87 8.38 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 52 N 8.31 4.81 0.00 2.88 2.86 0.00 0.00 6.72 8.20 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 53 Y 8.02 4.49 0.00 3.06 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 54 G 8.39 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.27 4.51 0.00 1.76 1.58 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.55 3.74 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 0.00 0.00 0.00 57 G 9.07 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 58 E 7.84 4.83 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 59 S 8.24 5.06 0.00 4.06 4.05 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 0.00 0.00 0.00 60 V 8.82 3.63 2.28 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 1.04 0.00 0.00 0.88 0.00 0.00 61 H 8.16 4.12 0.00 3.26 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.22 4.36 0.00 3.20 3.52 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.77 4.16 0.00 1.80 1.70 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.62 3.39 0.00 1.94 2.02 0.00 3.39 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 65 Q 9.11 3.25 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.95 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 66 K 8.52 4.13 0.00 1.99 1.67 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.24 0.99 7.81