NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3260 8.1744 117.3746 65.8594 69.8664 172.3819 11 R 4.4552 8.0753 115.1506 55.9963 31.1176 174.3043 12 N 4.9868 7.8494 111.3286 53.2617 44.3184 176.9769 13 G 3.8559 8.2426 104.8541 46.2360 0.0000 173.4371 14 R 4.5038 8.8715 118.9897 53.9372 31.7130 175.6692 15 D 4.9532 7.8792 125.3635 54.1781 43.3649 176.8749 16 S 4.4738 8.4188 121.4141 57.8293 64.2130 173.0523 17 Q 4.4636 8.1709 118.2957 54.0415 30.0916 175.3302 18 A 4.0174 8.4000 122.2448 53.3054 18.7001 177.6132 19 K 4.3656 8.4259 118.7148 55.9427 32.9745 177.9011 20 R 3.4739 7.5289 113.6850 57.4989 26.5831 174.7413 21 L 4.4599 7.2832 122.2627 52.5906 44.6726 173.8214 22 G 3.6730 8.1235 103.8658 44.1648 0.0000 172.7586 23 V 3.9495 8.2605 119.1165 62.7127 31.8307 176.5107 24 K 4.1610 9.2349 126.9401 56.4738 33.0755 176.8257 25 R 4.1474 7.3594 116.9860 54.4533 32.2979 174.3191 26 Y 4.4758 7.7011 120.9671 57.0186 38.7357 175.4610 27 E 4.2568 8.2198 122.3287 57.8538 30.1017 175.2442 28 G 4.3298 9.8815 118.1857 46.2905 0.0000 174.4867 29 Q 4.1863 7.6937 117.2514 56.2303 29.9283 176.7303 30 V 4.5265 8.2522 121.1716 62.7185 33.0562 175.4355 31 V 4.6254 8.5464 117.7832 60.2790 36.7872 173.8722 32 R 5.1057 8.7474 121.0652 53.7264 32.3794 175.7241 33 A 4.0593 8.1172 123.6443 54.4527 18.5621 176.9205 34 G 4.3506 9.7054 115.5298 46.4403 0.0000 173.8651 35 N 4.1498 7.9607 117.3388 50.9087 38.7583 174.1432 36 I 4.3555 8.4770 118.2659 61.0326 38.3971 175.5830 37 L 4.6088 9.7128 124.8851 55.7737 44.3605 176.7077 38 V 4.7847 7.5315 116.9191 61.3159 35.4795 173.6929 39 R 5.0771 9.1882 126.3996 54.4750 32.7444 174.8951 40 Q 4.4678 8.5359 119.9364 55.2918 31.1939 173.6911 41 R 4.0097 9.1704 118.6295 57.8029 31.6620 180.5639 42 G 3.7920 7.3991 109.4498 45.9101 0.0000 175.6176 43 T 4.4820 7.7783 113.6887 60.3675 66.7523 173.7811 44 R 4.0345 7.8854 121.0651 58.6001 30.9721 177.5474 45 F 4.7066 8.9868 116.3313 55.4773 42.3326 174.9057 46 K 4.2501 8.0393 123.6477 54.6430 33.4421 174.7475 47 P 4.3961 0.0000 0.0000 62.8487 31.5583 176.5108 48 G 4.1846 8.4983 114.2250 46.2060 0.0000 173.6499 49 K 4.2678 8.9705 123.2111 56.3438 33.8789 177.3071 50 N 4.1564 9.0597 122.1931 53.8575 35.7651 174.3790 51 V 4.2345 7.6503 118.0663 61.9462 34.2593 174.1945 52 G 3.8123 7.4162 116.9325 45.7808 0.0000 171.0462 53 M 5.5969 7.4541 114.2179 56.3852 33.6533 174.1566 54 G 3.8655 8.7669 107.3014 45.9808 0.0000 176.1521 55 R 3.2418 7.9060 115.7472 56.1757 30.9761 176.0305 56 D 4.4497 7.7712 117.3959 53.3468 40.2759 177.2800 57 F 4.0694 7.9357 115.9572 59.0161 36.8932 174.8775 58 T 4.3945 7.9960 118.3438 63.5546 69.4607 173.5000 59 L 5.1872 8.9731 127.0934 53.2902 43.5761 175.7003 60 F 5.3197 8.3731 117.9399 54.5380 41.9549 174.2520 61 A 4.2998 9.3821 122.2649 52.6106 18.9593 178.0049 62 L 4.7683 8.2699 117.6826 54.9329 44.1333 177.3939 63 V 4.5524 7.6151 110.0729 59.6212 35.3882 173.7794 64 D 4.5889 9.0378 124.1012 54.6787 42.0425 177.0395 65 G 4.2755 7.7245 108.0075 46.2198 0.0000 171.4366 66 V 4.8410 7.5404 119.2897 61.2121 34.7640 176.0989 67 V 4.7827 8.2414 125.2029 61.6337 33.0613 174.3679 68 E 5.2144 9.6465 126.3963 54.6560 32.2742 174.7112 69 F 5.1962 9.4929 122.9402 56.1078 40.8928 175.1209 70 Q 4.6516 9.8213 124.6234 54.4892 32.7687 173.5129 71 D 5.0435 8.5573 124.6286 51.5416 42.2817 177.8109 72 R 4.4214 8.9122 129.5838 56.2290 30.7514 178.6097 73 G 3.8111 8.9693 111.8138 46.8737 0.0000 177.3314 74 R 4.7428 8.3987 117.5333 55.5892 28.8297 176.3951 75 L 4.5332 8.3605 116.6081 54.5864 46.5550 175.9358 76 G 4.0652 6.5719 105.5068 44.6456 0.0000 171.1631 77 R 4.4923 7.3246 118.4048 54.4778 31.6664 175.3120 78 Y 5.1367 8.8342 121.9171 56.7021 40.0400 174.9772 79 V 4.6526 8.0676 121.0212 61.3808 34.8363 173.9263 80 H 5.2717 9.5901 122.6028 54.1231 32.7293 171.9604 81 V 4.9125 8.3784 119.4464 61.1303 33.2942 175.0222 82 R 4.5884 8.9661 125.8078 53.6817 30.8620 174.1429 83 P 4.8256 0.0000 0.0000 62.3892 32.2862 176.6294 84 L 4.3861 8.4243 119.7951 53.1749 40.5379 176.9354 85 A 4.2974 8.1059 125.0029 52.0417 19.2457 175.9845 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 8.17 4.33 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 R 8.08 4.46 0.00 1.79 1.82 0.00 3.23 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.71 0.00 12 N 7.85 4.99 0.00 2.77 2.75 0.00 0.00 6.86 7.95 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 13 G 8.24 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 14 R 8.87 4.50 0.00 1.82 1.86 0.00 3.30 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 15 D 7.88 4.95 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.47 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.17 4.46 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 18 A 8.40 4.02 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 19 K 8.43 4.37 0.00 1.74 1.81 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.37 7.81 20 R 7.53 3.47 0.00 1.87 2.06 0.00 3.35 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 1.57 1.58 0.00 21 L 7.28 4.46 0.00 1.64 1.63 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.12 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.95 2.32 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 0.99 0.00 0.00 0.86 0.00 0.00 24 K 9.23 4.16 0.00 1.60 1.73 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 R 7.36 4.15 0.00 1.73 1.83 0.00 3.36 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 26 Y 7.70 4.48 0.00 3.06 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.26 0.00 1.82 1.79 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 2.39 2.68 0.00 28 G 9.88 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 0.00 0.00 0.00 0.00 29 Q 7.69 4.19 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 30 V 8.25 4.53 2.10 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 0.83 0.00 0.00 0.95 0.00 0.00 31 V 8.55 4.63 2.10 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 0.69 0.00 0.00 0.99 0.00 0.00 32 R 8.75 5.11 0.00 1.78 1.84 0.00 3.43 0.00 0.00 3.31 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 33 A 8.12 4.06 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 34 G 9.71 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 0.00 0.00 0.00 0.00 35 N 7.96 4.15 0.00 2.86 2.79 0.00 0.00 6.90 6.63 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 36 I 8.48 4.36 1.93 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 1.34 0.40 0.91 0.00 0.00 37 L 9.71 4.61 0.00 1.42 1.70 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.53 4.78 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 0.83 0.00 0.00 0.60 0.00 0.00 39 R 9.19 5.08 0.00 1.79 1.79 0.00 3.36 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 40 Q 8.54 4.47 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 41 R 9.17 4.01 0.00 1.81 1.89 0.00 3.28 0.00 0.00 3.26 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 42 G 7.40 3.79 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 0.00 0.00 0.00 43 T 7.78 4.48 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 0.99 0.00 0.00 44 R 7.89 4.03 0.00 2.20 2.20 0.00 3.25 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 45 F 8.99 4.71 0.00 2.63 2.83 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 46 K 8.04 4.25 0.00 0.79 1.06 0.00 1.00 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 0.90 7.81 47 P 0.00 4.40 0.00 2.18 2.00 0.00 3.64 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 1.99 1.97 0.00 48 G 8.50 4.18 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 0.00 0.00 0.00 49 K 8.97 4.27 0.00 1.72 1.74 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.64 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.53 1.52 7.81 50 N 9.06 4.16 0.00 3.06 2.90 0.00 0.00 6.53 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 7.65 4.23 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 0.66 0.00 0.00 0.98 0.00 0.00 52 G 7.42 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 7.45 5.60 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 54 G 8.77 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.91 3.24 0.00 1.80 1.75 0.00 3.30 0.00 0.00 3.23 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 56 D 7.77 4.45 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.07 0.00 3.27 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 58 T 8.00 4.39 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 1.36 0.00 0.00 59 L 8.97 5.19 0.00 1.55 1.51 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.37 5.32 0.00 3.50 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 9.38 4.30 1.33 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 0.00 0.00 0.00 62 L 8.27 4.77 0.00 1.57 1.67 0.78 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.62 4.55 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 0.68 0.00 0.00 0.93 0.00 0.00 64 D 9.04 4.59 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 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 0.00 0.00 0.00 0.00 66 V 7.54 4.84 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 1.08 0.00 0.00 0.96 0.00 0.00 67 V 8.24 4.78 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.04 0.00 0.00 68 E 9.65 5.21 0.00 2.08 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 0.00 2.34 2.30 0.00 69 F 9.49 5.20 0.00 3.10 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 70 Q 9.82 4.65 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 71 D 8.56 5.04 0.00 2.84 2.53 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 0.00 0.00 0.00 0.00 72 R 8.91 4.42 0.00 2.24 1.94 0.00 3.41 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.21 0.00 73 G 8.97 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 74 R 8.40 4.74 0.00 1.81 1.94 0.00 3.32 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 L 8.36 4.53 0.00 1.85 1.71 0.91 1.07 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 76 G 6.57 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 77 R 7.32 4.49 0.00 0.96 1.49 0.00 2.89 0.00 0.00 2.73 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.35 0.00 78 Y 8.83 5.14 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.65 1.82 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 0.44 0.00 0.00 0.13 0.00 0.00 80 H 9.59 5.27 0.00 3.18 3.32 0.00 5.29 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 8.38 4.91 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 0.93 0.00 0.00 0.93 0.00 0.00 82 R 8.97 4.59 0.00 1.87 2.16 0.00 2.84 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 83 P 0.00 4.83 0.00 2.10 2.15 0.00 3.35 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 84 L 8.42 4.39 0.00 1.64 1.69 0.93 0.69 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 8.11 4.30 1.19 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