NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4076 0.0000 0.0000 61.6798 32.6902 175.5600 2 K 3.7796 8.5518 117.2717 55.3443 32.1831 174.9882 3 I 4.5060 8.2953 117.4909 58.3477 40.1098 175.4141 4 K 4.2067 8.7005 125.3739 56.2899 33.1157 176.7028 5 T 3.9948 8.4546 112.1967 61.9400 68.7726 173.0506 6 V 4.1608 8.0600 121.5854 61.3664 32.4725 176.7394 7 R 3.9984 8.7602 127.3031 59.4727 29.8308 179.2812 8 G 3.5794 7.9356 102.9079 47.0911 0.0000 174.7566 9 A 3.9144 7.5819 120.7859 53.2118 18.3722 178.1390 10 A 3.6368 7.1715 117.4585 51.4481 19.5836 177.2759 11 K 4.3562 7.3826 115.6254 56.2954 32.4174 176.8875 12 R 4.6000 7.1727 116.7853 55.9111 31.1587 175.8452 13 F 5.3297 7.9314 117.7749 55.6456 41.8802 175.1529 14 K 4.7007 8.8512 123.2725 54.5695 35.1690 175.5359 15 K 4.2195 9.1818 129.2650 56.8555 33.1382 175.6688 16 T 4.6093 7.4301 115.4224 59.6007 71.1265 174.3311 17 G 3.5868 8.6744 109.0540 47.6849 0.0000 173.8778 18 K 4.3148 7.1542 117.9697 55.0494 33.7233 176.6738 19 G 3.5045 8.3723 107.2681 47.4935 0.0000 173.9687 20 G 3.8907 7.5304 107.5899 46.4263 0.0000 172.0845 21 F 5.5726 8.3156 116.2500 55.7835 43.7203 173.9643 22 K 5.0174 8.8909 118.5080 55.1487 36.8889 174.8494 23 H 5.2013 8.8508 117.0173 54.0051 32.7825 171.5287 24 K 4.8160 8.4697 119.0720 54.4373 34.1567 175.3023 25 H 4.4997 8.1539 122.1449 56.0298 29.7237 175.1758 26 A 4.2700 8.5294 125.1996 53.4483 18.9139 177.5854 27 N 4.5146 8.9470 117.4102 52.8646 36.5749 174.6869 28 L 4.3145 7.1381 120.6577 55.4391 41.4692 176.3956 29 R 5.4174 7.9949 134.5394 57.7485 28.0280 173.8104 30 H 4.7145 7.6506 114.9826 55.0386 33.2293 171.6863 31 I 2.9844 7.3739 120.0143 62.3333 35.6605 173.6347 32 L 4.5881 7.6474 114.5356 55.0061 42.1908 177.8648 33 T 4.2476 7.8075 115.2796 62.6126 67.9126 175.2785 34 K 4.4276 7.7387 117.5914 56.3827 33.7227 176.6289 35 K 4.0992 7.7482 118.8987 56.1180 32.8684 176.9626 36 A 4.3822 8.1981 123.5704 51.6006 20.5567 179.0141 37 T 3.8659 8.2428 111.5097 64.7237 69.0099 176.4714 38 K 4.1122 7.7956 119.5065 58.1893 32.9914 178.6392 39 R 4.0463 7.8262 119.0327 59.0641 29.9801 178.5426 40 K 3.9901 8.1632 118.9890 60.0317 32.8081 179.2492 41 R 3.9455 8.0039 117.1871 58.5108 29.0522 176.8538 42 H 5.0618 7.7305 115.2158 55.9872 30.3322 175.7931 43 L 4.7589 7.4670 121.7514 55.4847 43.7103 178.8215 44 R 4.0486 7.6688 116.2928 58.6482 30.6720 175.7436 45 P 4.4264 0.0000 0.0000 62.8382 32.5629 175.4980 46 K 4.8277 8.4595 120.7161 54.8845 34.3855 175.5432 47 A 4.8216 8.2938 123.5536 50.1089 23.0341 175.4963 48 M 4.7217 8.5129 118.5273 54.6102 32.7845 177.0071 49 V 3.8696 8.5849 115.0310 62.1300 32.5505 176.2420 50 S 4.5275 8.5927 115.8724 57.7183 63.4757 175.2707 51 K 3.8991 8.2208 121.7988 56.4535 31.3050 175.1555 52 G 3.8850 9.4969 104.7543 46.6016 0.0000 174.2879 53 D 4.5207 7.7177 114.5625 53.4703 42.3008 176.8390 54 L 3.8979 8.1018 123.7310 58.5663 41.9892 178.4789 55 G 3.9451 8.0861 104.7673 46.3488 0.0000 174.0439 56 L 4.5168 7.7924 118.3980 54.4783 42.9462 177.2292 57 V 4.2171 7.5290 111.2335 61.0634 32.8650 176.9294 58 I 4.4682 7.8226 110.8396 59.6486 37.9737 176.1754 59 A 4.5111 7.3875 123.3325 52.9329 19.2497 177.6633 60 C 4.7840 7.7488 112.0330 59.0821 29.7780 173.6880 61 L 4.3283 7.2056 121.5607 53.9766 42.4778 173.3800 62 P 4.5961 0.0000 0.0000 62.6174 32.0632 176.7657 63 Y 4.3455 7.4807 115.2268 58.8589 38.7950 175.2370 64 A 4.2547 8.0372 126.8248 52.3383 18.6600 176.9983 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 4.41 0.00 2.22 2.17 0.00 3.78 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 1.90 2.01 0.00 2 K 8.55 3.78 0.00 1.90 1.94 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.52 7.81 3 I 8.30 4.51 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.99 0.00 0.00 4 K 8.70 4.21 0.00 1.93 1.91 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 5 T 8.45 3.99 4.29 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 0.00 0.00 0.00 1.38 0.00 0.00 6 V 8.06 4.16 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 0.91 0.00 0.00 0.92 0.00 0.00 7 R 8.76 4.00 0.00 1.82 1.92 0.00 3.35 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 8 G 7.94 3.58 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 0.00 0.00 0.00 9 A 7.58 3.91 1.03 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 10 A 7.17 3.64 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.38 4.36 0.00 1.67 1.79 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.54 7.81 12 R 7.17 4.60 0.00 1.60 1.94 0.00 3.26 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 13 F 7.93 5.33 0.00 2.85 2.82 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 14 K 8.85 4.70 0.00 1.87 1.70 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 15 K 9.18 4.22 0.00 1.83 1.63 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.98 0.47 7.81 16 T 7.43 4.61 4.17 0.00 0.00 0.00 0.00 0.00 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 17 G 8.67 3.59 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 0.00 0.00 0.00 18 K 7.15 4.31 0.00 1.73 1.72 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.33 7.81 19 G 8.37 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 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 21 F 8.32 5.57 0.00 2.90 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 22 K 8.89 5.02 0.00 1.73 1.67 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.43 7.81 23 H 8.85 5.20 0.00 3.22 3.45 0.00 5.21 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.47 4.82 0.00 1.76 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 25 H 8.15 4.50 0.00 3.35 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.53 4.27 1.26 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 27 N 8.95 4.51 0.00 2.86 3.19 0.00 0.00 6.91 7.85 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 28 L 7.14 4.31 0.00 1.70 1.79 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.99 5.42 0.00 2.05 2.08 0.00 3.10 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 30 H 7.65 4.71 0.00 3.06 3.20 0.00 6.08 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.37 2.98 1.55 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 1.36 0.63 0.85 0.00 0.00 32 L 7.65 4.59 0.00 1.65 1.64 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.81 4.25 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 34 K 7.74 4.43 0.00 1.87 1.87 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.41 7.81 35 K 7.75 4.10 0.00 1.76 1.78 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.38 7.81 36 A 8.20 4.38 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 37 T 8.24 3.87 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 38 K 7.80 4.11 0.00 1.72 1.85 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.42 7.81 39 R 7.83 4.05 0.00 1.87 1.99 0.00 3.18 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 40 K 8.16 3.99 0.00 2.07 2.04 0.00 1.25 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.71 7.81 41 R 8.00 3.95 0.00 2.04 2.21 0.00 2.97 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.39 0.00 42 H 7.73 5.06 0.00 3.22 3.40 0.00 5.62 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.47 4.76 0.00 1.68 1.74 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.67 4.05 0.00 1.97 1.99 0.00 3.19 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 45 P 0.00 4.43 0.00 2.07 1.96 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 46 K 8.46 4.83 0.00 1.59 1.68 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 47 A 8.29 4.82 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.51 4.72 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 49 V 8.58 3.87 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 0.80 0.00 0.00 1.06 0.00 0.00 50 S 8.59 4.53 0.00 3.84 3.85 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 51 K 8.22 3.90 0.00 1.91 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 52 G 9.50 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 53 D 7.72 4.52 0.00 2.87 2.84 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 54 L 8.10 3.90 0.00 1.75 1.70 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.09 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 56 L 7.79 4.52 0.00 1.75 1.68 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.53 4.22 1.11 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 0.84 0.00 0.00 0.93 0.00 0.00 58 I 7.82 4.47 1.87 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 1.44 1.65 0.96 0.00 0.00 59 A 7.39 4.51 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 60 C 7.75 4.78 0.00 3.41 2.97 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 0.00 0.00 0.00 0.00 61 L 7.21 4.33 0.00 1.86 1.46 1.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.60 0.00 1.74 1.90 0.00 3.17 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.66 0.00 63 Y 7.48 4.35 0.00 3.12 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 64 A 8.04 4.25 1.35 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