NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.4101 8.1593 110.9392 61.7094 69.8097 173.6049 11 K 4.6498 8.5159 121.4368 57.0421 34.2207 175.0464 12 N 4.8562 7.6390 120.9049 52.5691 40.0302 178.0151 13 G 4.0269 8.8534 111.1768 47.6257 0.0000 172.1175 14 R 4.5966 7.1218 115.4627 54.4664 33.7494 172.8997 15 D 4.4014 7.8570 120.7179 54.1035 43.8068 174.8940 16 S 4.8322 8.3994 116.6146 55.7559 65.1546 174.1534 17 Q 4.0608 8.5217 121.1863 55.6400 29.0323 175.9887 18 A 4.0183 8.4882 122.9896 53.0633 18.7238 177.6770 19 K 4.3154 8.6650 120.1561 55.4485 33.1438 176.4921 20 R 3.7539 7.7923 117.2154 57.2150 27.5532 175.4041 21 L 4.6453 9.0428 115.3147 53.4306 43.4355 176.3678 22 G 4.0283 7.5126 106.8862 43.8668 0.0000 171.9333 23 V 3.8139 7.7156 120.3152 62.7621 31.5414 175.8419 24 K 3.9920 8.7764 128.2957 58.1729 32.4543 177.7032 25 R 4.5426 7.5436 115.7079 54.4639 32.2074 175.0919 26 Y 5.2830 8.2046 118.8455 55.9109 40.2196 175.0794 27 E 4.1388 9.2672 122.2659 58.3715 29.9218 176.9059 28 G 3.8826 9.1606 116.6034 46.6637 0.0000 172.9095 29 Q 4.7106 7.7736 116.6442 53.2968 32.4184 176.5505 30 V 3.9484 8.4728 123.3031 63.6855 32.6124 175.3287 31 V 4.5738 8.1475 116.8552 60.3106 36.4839 174.5453 32 R 4.6964 8.6220 122.8061 54.8373 31.9209 175.8825 33 A 4.0829 8.3998 121.3792 53.4429 19.0215 179.1506 34 G 4.0661 8.8465 108.9134 45.7530 0.0000 174.2487 35 N 4.2513 7.6569 117.1525 53.9845 39.5606 174.6676 36 I 4.2646 8.4743 124.7585 61.8786 37.4247 175.7042 37 L 4.4336 9.7386 127.8903 56.5675 43.6836 177.0097 38 V 4.7252 7.4293 116.0988 61.8191 35.1758 172.3836 39 R 5.1496 8.7280 126.6988 54.5102 32.6514 174.9558 40 Q 4.8666 8.4576 119.8017 55.0671 30.9629 175.0401 41 R 4.3122 8.9252 119.7594 59.3388 31.5816 176.8567 42 G 3.8429 7.3209 109.0972 45.7393 0.0000 175.2754 43 T 4.4410 7.7516 111.2380 59.5437 68.1747 175.3411 44 R 3.9775 7.9206 120.5510 59.4749 30.4281 176.5900 45 F 4.9643 9.1868 115.6793 55.5176 43.8710 173.8064 46 K 4.4789 8.6449 117.5182 54.4247 36.5535 178.3070 47 P 4.5466 0.0000 0.0000 60.9296 31.7630 178.4746 48 G 4.1635 9.7286 112.7525 45.3047 0.0000 176.8849 49 K 4.1977 9.4622 129.5543 55.8089 31.7422 176.0860 50 N 4.1525 8.9051 123.3687 53.8045 35.5678 174.9564 51 V 4.2606 7.6134 118.3128 61.7888 34.0376 174.3823 52 G 3.8075 7.7413 116.4296 45.3191 0.0000 170.8569 53 M 6.2300 7.7436 115.5119 53.9867 33.6804 174.0110 54 G 4.3099 8.5058 106.2303 44.9641 0.0000 174.4659 55 R 4.0894 8.2958 118.5509 59.0717 30.1013 177.7063 56 D 4.2170 7.7753 114.0507 53.8651 40.0551 176.7754 57 F 4.5337 9.4354 118.4372 57.5635 37.4806 174.4465 58 T 4.3399 9.6081 119.9055 63.8415 69.2898 173.3164 59 L 5.3847 9.1670 126.6371 53.3516 44.4950 175.5506 60 F 5.3122 8.6209 116.3697 55.1415 41.6842 173.3581 61 A 4.2470 8.7181 123.3204 52.9346 19.0917 177.8242 62 L 4.7931 8.2318 117.7616 54.4310 43.6995 177.3004 63 V 4.3099 7.5978 109.2791 59.9199 35.3006 172.4812 64 D 5.2177 8.2670 122.6363 53.0981 39.4762 176.1682 65 G 4.2622 8.1375 106.5919 43.4118 0.0000 172.2203 66 V 4.2128 7.7177 119.5949 61.8924 33.0740 174.8645 67 V 4.7742 8.2301 125.3082 61.7332 33.5664 174.3185 68 E 5.0910 9.5705 124.4796 54.8127 33.6343 173.7509 69 F 5.3385 9.8600 119.9625 55.8912 41.2603 174.7422 70 Q 4.7367 9.4594 125.6779 54.3725 31.2854 173.4943 71 D 5.1643 8.7641 125.8375 52.5956 43.1380 176.3333 72 R 4.7067 8.4137 123.5913 56.9370 32.6143 177.0931 73 G 4.1413 8.3374 109.9539 47.8238 0.0000 178.5448 74 R 3.7424 8.0230 121.6626 58.9377 30.2800 177.4357 75 L 4.0547 8.0490 116.4554 55.9626 42.0889 177.3487 76 G 3.7841 9.4466 105.2363 44.4223 0.0000 171.7605 77 R 4.8446 7.8805 116.5314 55.0696 31.9996 175.7885 78 Y 5.1360 9.2297 120.5084 56.2100 41.8222 174.7590 79 V 4.7745 8.4349 120.3035 61.6709 34.5654 174.3265 80 H 5.0968 9.1427 123.3515 54.1757 33.8035 172.1168 81 V 4.7739 8.2447 120.5751 61.6892 32.5107 175.9724 82 R 4.4488 9.0287 126.7066 53.9831 29.0560 174.7340 83 P 4.5739 0.0000 0.0000 62.9639 32.0591 176.0195 84 L 4.3428 7.7701 115.9014 55.7349 42.1072 174.0581 85 A 4.0948 8.5403 122.8514 53.1354 18.8915 176.1845 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 10 T 8.16 4.41 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 11 K 8.52 4.65 0.00 1.90 1.85 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.29 1.52 7.81 12 N 7.64 4.86 0.00 2.66 2.07 0.00 0.00 7.04 7.53 0.00 0.00 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 8.85 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 0.00 0.00 0.00 14 R 7.12 4.60 0.00 1.87 1.75 0.00 3.29 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 15 D 7.86 4.40 0.00 2.61 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 0.00 0.00 0.00 0.00 16 S 8.40 4.83 0.00 3.98 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 17 Q 8.52 4.06 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 18 A 8.49 4.02 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.66 4.32 0.00 1.76 1.85 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.39 7.81 20 R 7.79 3.75 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 21 L 9.04 4.65 0.00 1.93 1.64 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.51 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 0.00 0.00 0.00 23 V 7.72 3.81 2.35 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 0.98 0.00 0.00 0.78 0.00 0.00 24 K 8.78 3.99 0.00 1.91 1.75 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.50 7.81 25 R 7.54 4.54 0.00 1.73 1.79 0.00 3.54 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 26 Y 8.20 5.28 0.00 3.07 2.90 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 0.00 0.00 0.00 27 E 9.27 4.14 0.00 2.54 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 0.00 2.41 2.61 0.00 28 G 9.16 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 0.00 0.00 0.00 29 Q 7.77 4.71 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 30 V 8.47 3.95 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 0.78 0.00 0.00 0.94 0.00 0.00 31 V 8.15 4.57 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 0.69 0.00 0.00 0.93 0.00 0.00 32 R 8.62 4.70 0.00 1.70 1.89 0.00 3.22 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 33 A 8.40 4.08 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 34 G 8.85 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.66 4.25 0.00 2.68 2.82 0.00 0.00 6.85 7.35 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 36 I 8.47 4.26 1.86 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 1.33 0.71 0.99 0.00 0.00 37 L 9.74 4.43 0.00 1.60 1.65 0.83 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.43 4.73 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 0.68 0.00 0.00 0.64 0.00 0.00 39 R 8.73 5.15 0.00 1.77 1.80 0.00 3.18 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 40 Q 8.46 4.87 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 41 R 8.93 4.31 0.00 1.88 2.10 0.00 3.28 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 42 G 7.32 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 43 T 7.75 4.44 4.09 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 0.00 0.00 0.00 0.81 0.00 0.00 44 R 7.92 3.98 0.00 2.16 2.20 0.00 3.19 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 45 F 9.19 4.96 0.00 2.85 2.98 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 46 K 8.64 4.48 0.00 0.79 1.09 0.00 1.00 0.00 0.00 1.37 0.00 0.00 2.65 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.01 0.94 7.81 47 P 0.00 4.55 0.00 1.98 1.54 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 48 G 9.73 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.46 4.20 0.00 1.79 1.73 0.00 1.43 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.41 1.33 7.81 50 N 8.91 4.15 0.00 3.02 2.89 0.00 0.00 6.45 7.68 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 51 V 7.61 4.26 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 0.68 0.00 0.00 1.00 0.00 0.00 52 G 7.74 3.81 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 0.00 0.00 0.00 53 M 7.74 6.23 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 54 G 8.51 4.31 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 0.00 55 R 8.30 4.09 0.00 1.75 1.89 0.00 3.16 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 56 D 7.78 4.22 0.00 2.72 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 57 F 9.44 4.53 0.00 3.32 3.51 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 0.00 0.00 0.00 0.00 58 T 9.61 4.34 4.33 0.00 0.00 0.00 0.00 0.00 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 59 L 9.17 5.38 0.00 1.56 1.55 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.62 5.31 0.00 3.45 3.08 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 61 A 8.72 4.25 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 62 L 8.23 4.79 0.00 1.58 1.62 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.60 4.31 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 0.64 0.00 0.00 0.92 0.00 0.00 64 D 8.27 5.22 0.00 2.76 2.79 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 65 G 8.14 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 0.00 0.00 0.00 0.00 66 V 7.72 4.21 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 1.11 0.00 0.00 0.94 0.00 0.00 67 V 8.23 4.77 2.19 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 0.70 0.00 0.00 0.87 0.00 0.00 68 E 9.57 5.09 0.00 2.20 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 2.19 2.33 0.00 69 F 9.86 5.34 0.00 3.00 3.10 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 70 Q 9.46 4.74 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 71 D 8.76 5.16 0.00 2.71 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 72 R 8.41 4.71 0.00 2.38 1.87 0.00 3.40 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 73 G 8.34 4.14 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 0.00 0.00 0.00 74 R 8.02 3.74 0.00 1.85 1.97 0.00 3.37 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 1.63 1.66 0.00 75 L 8.05 4.05 0.00 1.86 1.92 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.45 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 4.84 0.00 1.19 1.73 0.00 2.79 0.00 0.00 2.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 78 Y 9.23 5.14 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.77 2.03 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 0.19 0.00 0.00 1.37 0.00 0.00 80 H 9.14 5.10 0.00 2.97 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.24 4.77 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 0.87 0.00 0.00 0.96 0.00 0.00 82 R 9.03 4.45 0.00 1.78 1.95 0.00 3.12 0.00 0.00 3.46 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 83 P 0.00 4.57 0.00 2.19 2.09 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 84 L 7.77 4.34 0.00 1.71 1.62 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.54 4.09 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