NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5598 0.0000 0.0000 62.6727 33.6349 174.7919 2 M 5.3503 8.5773 120.2550 53.4012 35.6174 173.3782 3 I 4.8849 9.1359 124.3805 59.4924 41.3084 174.4236 4 S 5.3318 8.8671 119.5974 56.7420 66.5244 172.9321 5 C 4.7953 9.0219 121.3758 58.0054 34.4584 172.2292 6 D 5.4900 8.8413 126.8855 53.5269 41.8140 175.7195 7 M 4.1882 8.7330 119.6908 53.8972 35.1471 174.1879 8 R 4.7895 7.3972 117.8439 55.3544 30.8907 176.4732 9 Y 4.5651 7.6784 119.2011 58.6807 38.1536 175.8741 10 G 3.7974 9.1321 110.3991 45.7130 0.0000 174.7622 11 R 4.2567 7.5347 119.8918 55.9177 30.9411 177.0410 12 T 4.2848 8.7947 112.5363 61.3003 71.0346 175.6936 13 D 4.3525 8.5636 121.3219 57.5389 40.8283 178.8726 14 E 3.9619 8.1584 118.5406 59.6403 29.4667 179.2935 15 Q 4.0257 8.1608 117.8943 59.0029 28.6942 179.1013 16 K 4.0236 8.2966 119.5628 59.4761 32.0261 179.6977 17 R 3.9546 8.3608 118.4525 58.9181 29.9657 178.9339 18 A 3.9814 8.1877 120.8719 54.8457 18.3210 179.4126 19 L 3.8668 8.1950 119.3591 58.3432 42.1868 179.4165 20 S 3.7644 8.4480 114.2460 61.1741 62.9651 176.1280 21 A 4.0266 8.0332 124.6053 54.8693 18.1573 179.9052 22 G 3.4682 8.0087 104.0437 47.9339 0.0000 175.9687 23 L 3.8629 7.8631 121.9595 57.3298 41.5380 179.5900 24 L 3.8948 7.8491 119.0054 57.5871 41.4158 179.5619 25 R 3.8108 7.9507 118.5106 59.7053 30.2006 179.1172 26 V 3.5939 7.7989 112.1015 64.3369 31.3861 178.7860 27 I 3.7313 7.8854 119.7581 64.0743 36.8947 178.0533 28 S 4.3867 8.2794 115.8340 60.8981 61.9515 176.0100 29 E 3.9115 8.1546 119.5030 59.5944 29.3187 179.1343 30 A 4.1387 7.7729 119.3542 54.8900 18.6285 179.0678 31 T 4.2623 8.1390 106.4118 61.5133 69.5786 176.2482 32 G 3.9122 8.1624 109.1894 45.5502 0.0000 173.2121 33 E 4.3276 7.9358 120.4684 54.3872 30.5549 174.6733 34 P 4.4606 0.0000 0.0000 62.5462 32.4357 177.3654 35 R 3.9246 8.7471 119.1884 59.7180 30.1089 178.8461 36 E 4.1097 8.1839 115.4790 58.6512 29.5748 177.1068 37 N 4.7582 8.2773 115.4542 52.8697 38.6141 174.8442 38 I 4.6345 7.3831 119.8239 59.3365 38.6532 175.0692 39 F 4.5469 9.0418 130.6095 57.9475 40.6754 173.9066 40 F 5.5203 7.6459 126.5705 56.3492 42.4705 173.8430 41 V 3.9259 8.2759 124.7409 59.7027 34.2732 174.3556 42 I 4.3590 7.7039 125.2688 59.9812 38.7251 175.1671 43 R 4.4976 9.1042 126.1071 54.5702 32.3242 174.7697 44 E 5.3669 7.9812 123.4184 54.2851 32.3594 175.2730 45 G 4.2397 7.8099 107.7852 44.9302 0.0000 172.5112 46 S 5.0128 9.0675 116.1237 58.1885 63.8539 176.0860 47 G 3.9147 9.4718 111.4919 48.2960 0.0000 176.0511 48 I 3.8197 7.9115 118.7439 63.5827 38.0164 176.1254 49 N 4.5322 8.1164 115.3044 54.0201 38.8516 174.6600 50 F 4.5529 8.5071 118.6577 55.2769 41.1847 174.3949 51 V 4.7024 8.3993 124.9426 60.9265 33.1427 174.0948 52 E 4.5913 8.7024 127.9790 55.7875 31.9961 175.2125 53 H 3.7920 9.7846 122.9760 57.0341 26.4363 175.5808 54 G 3.9901 8.5665 103.6488 45.8765 0.0000 173.8575 55 E 4.7779 8.0079 118.3956 54.1858 33.2252 174.7884 56 H 4.9218 8.8173 119.7475 56.0489 29.5608 175.2210 57 L 4.6272 8.8765 122.8728 53.4705 43.2182 174.8484 58 P 4.7031 0.0000 0.0000 62.1235 32.6782 175.7742 59 D 4.5060 8.6611 120.5449 54.5870 41.2614 176.1823 60 Y 4.0808 8.6708 124.9502 57.4767 39.3882 175.0584 61 V 4.1503 7.4888 126.1388 60.3738 33.2425 173.3888 62 P 4.1776 0.0000 0.0000 62.7260 31.2712 176.3490 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 4.56 0.00 2.12 2.06 0.00 3.69 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 2.02 2.14 0.00 2 M 8.58 5.35 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 3 I 9.14 4.88 2.01 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 1.31 0.89 0.89 0.00 0.00 4 S 8.87 5.33 0.00 3.85 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 5 C 9.02 4.80 0.00 3.28 2.86 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 6 D 8.84 5.49 0.00 2.73 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 7 M 8.73 4.19 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 8 R 7.40 4.79 0.00 1.38 1.81 0.00 3.41 0.00 0.00 3.86 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.00 9 Y 7.68 4.57 0.00 2.94 2.93 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 0.00 0.00 0.00 10 G 9.13 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 0.00 0.00 0.00 11 R 7.53 4.26 0.00 1.68 1.81 0.00 2.49 0.00 0.00 2.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 12 T 8.79 4.28 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 1.31 0.00 0.00 13 D 8.56 4.35 0.00 2.75 2.77 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 0.00 0.00 0.00 14 E 8.16 3.96 0.00 1.99 2.01 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 2.41 2.36 0.00 15 Q 8.16 4.03 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 16 K 8.30 4.02 0.00 1.94 1.86 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.68 7.81 17 R 8.36 3.95 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 18 A 8.19 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.87 0.00 1.85 1.92 0.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.45 3.76 0.00 4.20 4.38 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 21 A 8.03 4.03 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.01 3.47 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 0.00 0.00 0.00 23 L 7.86 3.86 0.00 1.12 1.33 0.36 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.85 3.89 0.00 1.78 1.67 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.95 3.81 0.00 1.85 2.02 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 26 V 7.80 3.59 2.04 0.00 0.00 0.00 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 27 I 7.89 3.73 1.89 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 1.47 0.84 0.90 0.00 0.00 28 S 8.28 4.39 0.00 3.89 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 29 E 8.15 3.91 0.00 2.10 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 0.00 2.34 2.62 0.00 30 A 7.77 4.14 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 31 T 8.14 4.26 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 1.26 0.00 0.00 32 G 8.16 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.94 4.33 0.00 2.04 1.88 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 2.31 2.39 0.00 34 P 0.00 4.46 0.00 2.36 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 35 R 8.75 3.92 0.00 1.89 2.04 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 36 E 8.18 4.11 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 37 N 8.28 4.76 0.00 2.84 2.85 0.00 0.00 6.78 7.08 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 38 I 7.38 4.63 2.00 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 1.13 0.74 0.91 0.00 0.00 39 F 9.04 4.55 0.00 3.22 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 40 F 7.65 5.52 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 3.93 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 0.90 0.00 0.00 0.86 0.00 0.00 42 I 7.70 4.36 1.60 0.00 0.00 0.76 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 -0.36 0.80 0.00 0.00 43 R 9.10 4.50 0.00 1.79 1.78 0.00 3.21 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 44 E 7.98 5.37 0.00 1.33 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 45 G 7.81 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 0.00 0.00 0.00 0.00 46 S 9.07 5.01 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.47 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.91 3.82 1.93 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 1.43 0.77 0.97 0.00 0.00 49 N 8.12 4.53 0.00 2.96 2.51 0.00 0.00 6.81 6.73 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 50 F 8.51 4.55 0.00 3.29 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 51 V 8.40 4.70 2.01 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 0.77 0.00 0.00 0.59 0.00 0.00 52 E 8.70 4.59 0.00 2.12 1.80 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 2.25 2.40 0.00 53 H 9.78 3.79 0.00 3.34 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.57 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.01 4.78 0.00 2.05 1.84 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 2.25 2.28 0.00 56 H 8.82 4.92 0.00 3.07 3.30 0.00 5.69 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 57 L 8.88 4.63 0.00 1.90 1.64 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.70 0.00 2.10 2.08 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 D 8.66 4.51 0.00 2.72 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 60 Y 8.67 4.08 0.00 2.84 3.03 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 61 V 7.49 4.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 62 P 0.00 4.18 0.00 2.10 2.07 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.39 0.00