NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2818 8.1133 117.2701 56.2180 30.3911 176.3666 11 T 3.1812 8.3919 110.9316 65.9435 68.2793 174.3184 12 G 3.9011 8.1267 107.8167 47.2667 0.0000 174.3815 13 R 4.2423 7.1311 115.9905 57.5480 30.0759 177.4545 14 F 5.2488 8.8463 118.9695 58.3442 39.5992 176.7344 15 G 3.8212 8.1441 108.3783 46.4393 0.0000 172.5746 16 P 4.5443 0.0000 0.0000 63.1566 31.5477 176.7022 17 R 3.8889 7.5079 118.0537 56.8287 30.8683 175.9310 18 Y 3.9724 7.7970 117.2398 57.2078 36.9299 170.9316 19 G 4.0253 8.0718 104.0026 45.1692 0.0000 173.0537 20 L 3.9136 8.1387 117.9663 57.9539 41.5004 179.7579 21 K 3.8606 8.0347 117.0153 59.9477 32.1072 179.2003 22 I 3.6806 7.7507 119.2579 64.5277 37.1632 178.5299 23 R 4.5471 7.9519 117.3793 58.1647 29.4458 178.9129 24 V 3.6111 8.2488 119.8710 66.0905 31.5905 178.2398 25 R 3.9282 7.9355 117.1062 58.7364 29.8220 179.2729 26 V 3.5764 7.4205 117.0301 65.6534 31.4860 177.9785 27 A 3.9333 8.1593 120.5142 55.3597 18.3775 178.8953 28 D 4.3198 8.2938 117.6796 57.7902 40.9730 179.3311 29 V 3.5517 7.8425 118.0264 66.3098 31.6424 177.8777 30 E 4.4480 8.2150 116.9884 58.1756 29.0906 179.0160 31 I 3.8011 7.7367 119.1628 63.8414 38.4746 177.5174 32 K 4.1771 8.0196 119.2026 59.6597 31.6832 178.4980 33 H 5.2061 8.4813 117.6125 58.6932 29.6601 175.9415 34 K 4.3559 7.8188 114.7055 56.4253 32.2706 177.1675 35 K 4.1787 7.6329 119.0282 55.7807 32.5657 176.6865 36 K 4.0968 8.3252 120.3793 56.7234 32.6150 176.3202 37 H 5.0064 8.5195 120.6824 53.7383 31.7091 173.6681 38 K 4.6568 8.6515 122.7386 55.9007 32.3208 176.5256 39 C 4.2894 9.4210 127.8716 59.1014 31.7578 171.9365 40 P 4.3407 0.0000 0.0000 65.8667 30.6832 177.6824 41 V 3.3091 7.2183 115.9542 65.9305 32.3657 178.2659 42 C 4.6576 7.5862 124.0130 58.3067 29.7371 174.3338 43 G 4.1607 8.6409 104.0636 44.7279 0.0000 172.4745 44 F 3.9514 8.3065 119.2831 57.0106 40.0974 175.6129 45 K 5.2699 7.8772 121.9562 55.7462 30.9597 177.1689 46 K 4.7814 7.8658 114.2249 56.1142 33.3508 177.2798 47 L 5.3888 8.1193 119.5740 53.5920 43.3899 177.0444 48 K 4.9526 9.5750 122.7186 54.3378 36.7948 175.7775 49 R 3.6054 8.4912 123.1308 55.9313 30.4028 176.2973 50 A 4.1654 9.0363 129.4138 53.7034 19.8096 176.8383 51 G 3.7205 6.8495 101.4446 45.9100 0.0000 171.5789 52 T 3.7340 8.5349 117.6531 64.9674 67.9367 174.2138 53 G 4.4136 8.5981 114.2673 46.4745 0.0000 171.1295 54 I 4.5835 7.2554 120.9190 59.0025 39.5244 174.8750 55 W 5.0312 8.9549 126.0722 55.4076 33.3078 173.9799 56 M 5.7685 9.0151 120.1437 55.0452 36.2327 172.6287 57 C 5.8067 8.0722 121.7697 56.7565 33.5134 174.9766 58 G 3.6316 9.1017 115.5236 48.4720 0.0000 173.8372 59 H 4.2444 8.1997 119.7614 58.4022 30.1137 175.3425 60 C 4.4677 8.0313 111.9743 57.3162 30.3706 174.7811 61 G 3.8567 8.6115 109.2422 45.4099 0.0000 172.6180 62 Y 4.2560 7.9370 121.2862 58.2399 39.7657 174.7151 63 K 4.8806 8.4033 129.0961 55.2670 33.3989 175.5432 64 I 4.4313 9.3853 121.0691 58.8969 41.5344 174.0565 65 A 4.8383 8.5320 124.3673 50.6459 19.8840 175.8147 66 G 4.4210 8.0182 113.0878 44.6981 0.0000 171.2057 67 G 4.0894 8.1364 110.7333 45.4364 0.0000 174.3378 68 C 3.9981 8.6552 116.1287 62.3196 28.2374 174.7263 69 Y 4.9300 7.9218 113.9830 57.7011 39.6920 175.1569 70 Q 4.9425 8.1098 118.7527 53.1401 32.7307 174.4873 71 P 2.9700 0.0000 0.0000 63.8611 31.6799 175.9711 72 E 4.8453 7.4555 117.4611 54.3513 32.8770 174.8785 73 T 4.6581 7.9985 111.8133 59.3232 71.3081 175.0258 74 V 3.5005 8.5391 122.0413 66.6100 31.0656 178.1642 75 A 4.2267 7.5101 118.7767 54.4299 18.0931 179.4958 76 G 3.6591 8.1990 104.9478 47.7174 0.0000 176.2613 77 K 4.0526 7.9769 120.1519 59.1331 32.4135 179.0062 78 A 4.1545 7.7612 120.0464 54.3114 17.9350 179.9343 79 V 3.5845 7.2291 115.6584 66.3383 31.7903 176.8211 80 M 4.0856 7.3029 115.7348 58.4527 31.7682 177.9628 81 K 3.7997 7.9068 115.6690 57.5386 32.3566 176.8470 82 A 4.1712 6.7292 128.3786 52.5509 17.9961 177.8090 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 R 8.11 4.28 0.00 1.98 2.06 0.00 2.94 0.00 0.00 3.33 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 11 T 8.39 3.18 4.27 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 1.34 0.00 0.00 12 G 8.13 3.90 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 0.00 0.00 0.00 13 R 7.13 4.24 0.00 1.77 1.96 0.00 2.86 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 0.00 14 F 8.85 5.25 0.00 3.37 3.30 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 15 G 8.14 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 0.00 0.00 0.00 16 P 0.00 4.54 0.00 2.15 2.14 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 17 R 7.51 3.89 0.00 0.77 0.66 0.00 2.86 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 18 Y 7.80 3.97 0.00 3.00 2.96 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 0.00 0.00 0.00 0.00 19 G 8.07 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 20 L 8.14 3.91 0.00 1.71 1.69 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.03 3.86 0.00 1.80 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 22 I 7.75 3.68 2.06 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.14 0.78 0.00 0.00 23 R 7.95 4.55 0.00 2.39 2.52 0.00 3.23 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.60 0.00 24 V 8.25 3.61 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 1.13 0.00 0.00 0.99 0.00 0.00 25 R 7.94 3.93 0.00 1.89 1.93 0.00 3.16 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 26 V 7.42 3.58 2.43 0.00 0.00 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 1.18 0.00 0.00 27 A 8.16 3.93 1.38 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 0.00 0.00 0.00 28 D 8.29 4.32 0.00 2.95 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 29 V 7.84 3.55 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 0.43 0.00 0.00 0.80 0.00 0.00 30 E 8.21 4.45 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 31 I 7.74 3.80 1.96 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 1.54 0.76 1.01 0.00 0.00 32 K 8.02 4.18 0.00 2.09 1.95 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.48 7.81 33 H 8.48 5.21 0.00 3.33 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.82 4.36 0.00 1.87 1.85 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.53 7.81 35 K 7.63 4.18 0.00 1.89 1.71 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.68 7.81 36 K 8.33 4.10 0.00 1.70 1.72 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.52 5.01 0.00 3.20 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.65 4.66 0.00 1.64 1.90 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.42 7.81 39 C 9.42 4.29 0.00 3.16 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 40 P 0.00 4.34 0.00 2.33 2.18 0.00 4.02 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 41 V 7.22 3.31 1.73 0.00 0.00 0.00 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 -0.57 0.00 0.00 42 C 7.59 4.66 0.00 3.17 2.85 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 0.00 0.00 0.00 43 G 8.64 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 44 F 8.31 3.95 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 5.27 0.00 1.56 1.76 0.00 1.64 0.00 0.00 2.30 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.13 7.81 46 K 7.87 4.78 0.00 1.84 1.89 0.00 2.05 0.00 0.00 1.96 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.78 7.81 47 L 8.12 5.39 0.00 1.78 1.82 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.58 4.95 0.00 1.66 1.66 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 49 R 8.49 3.61 0.00 0.67 1.31 0.00 2.96 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 50 A 9.04 4.17 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 51 G 6.85 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.53 3.73 4.15 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 1.07 0.00 0.00 53 G 8.60 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.26 4.58 1.78 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 1.18 1.03 0.84 0.00 0.00 55 W 8.95 5.03 0.00 3.22 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 56 M 9.02 5.77 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.34 0.00 57 C 8.07 5.81 0.00 3.18 2.89 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 58 G 9.10 3.63 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 0.00 0.00 0.00 59 H 8.20 4.24 0.00 3.10 3.35 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.03 4.47 0.00 3.05 2.96 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 0.00 0.00 0.00 0.00 61 G 8.61 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 62 Y 7.94 4.26 0.00 3.06 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 63 K 8.40 4.88 0.00 1.74 1.57 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.39 7.81 64 I 9.39 4.43 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.79 0.72 0.00 0.00 65 A 8.53 4.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 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 67 G 8.14 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 0.00 0.00 0.00 0.00 68 C 8.66 4.00 0.00 2.58 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.92 4.93 0.00 3.16 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 70 Q 8.11 4.94 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 71 P 0.00 2.97 0.00 1.46 0.49 0.00 2.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.00 72 E 7.46 4.85 0.00 1.78 1.75 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 2.07 2.07 0.00 73 T 8.00 4.66 4.25 0.00 0.00 0.00 0.00 0.00 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 74 V 8.54 3.50 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 1.04 0.00 0.00 0.94 0.00 0.00 75 A 7.51 4.23 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.20 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.98 4.05 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.72 7.81 78 A 7.76 4.15 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 79 V 7.23 3.58 2.29 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 0.87 0.00 0.00 1.00 0.00 0.00 80 M 7.30 4.09 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 81 K 7.91 3.80 0.00 1.74 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.62 7.81 82 A 6.73 4.17 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