NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4354 8.3001 120.3268 55.7308 33.4237 174.0272 2 A 4.3965 8.0256 121.1667 51.0230 21.7585 172.5628 3 E 4.6769 9.2006 120.1759 54.9332 33.4026 173.7561 4 I 4.4006 8.2489 122.5756 61.1047 37.8315 175.7524 5 K 4.4996 9.2213 126.8545 54.8059 35.7430 174.9455 6 H 4.5921 8.6475 122.7113 55.0138 30.9360 173.3859 7 Y 4.6918 8.7223 124.5291 56.6284 40.4543 174.7233 8 Q 4.7180 8.4980 122.7575 54.3576 32.6156 174.0063 9 F 5.3248 9.3706 123.9568 55.7067 43.8555 173.6299 10 N 5.4181 9.7704 121.2510 51.4089 40.2620 173.5010 11 V 4.7072 8.2429 125.7088 59.1932 33.8958 177.0866 12 V 4.0593 8.0893 123.9375 62.9493 29.8573 177.5342 13 M 4.3870 7.7495 124.3815 54.3781 30.8516 176.4523 14 T 4.2264 7.5984 114.3988 63.3104 68.3956 174.6640 15 C 4.4492 7.7029 115.7468 57.4000 31.3443 173.9377 16 S 4.7104 8.4053 118.9490 57.3904 60.7927 172.7233 17 G 4.3883 7.6590 113.6731 45.8224 0.0000 173.3331 18 C 3.9312 7.7509 114.1294 60.8070 29.1776 175.8824 19 S 4.1893 8.2700 116.2769 61.4883 62.2789 176.7620 20 G 3.5758 8.1062 109.0357 46.9846 0.0000 175.2882 21 A 3.9388 8.1664 123.3961 54.8209 18.4410 179.7036 22 V 3.4476 8.2645 117.0691 66.2501 31.5178 177.4231 23 N 4.2444 8.3234 116.8263 56.8810 38.4822 176.6653 24 K 3.8841 8.2543 118.6591 59.6238 32.4741 179.0213 25 V 3.6913 8.0352 118.5542 65.9661 31.2795 177.9981 26 L 3.9903 8.2908 119.1120 58.2239 41.2718 179.4557 27 T 4.2138 7.8485 115.9720 65.9637 68.3696 176.2509 28 K 4.1804 7.7592 119.5977 58.9856 32.4377 178.8041 29 L 4.2957 7.8969 117.8946 56.3708 41.6759 178.7143 30 E 3.9410 8.3507 120.0693 58.6156 30.2795 176.8606 31 P 4.7574 0.0000 0.0000 61.1120 30.5523 174.0692 32 D 4.3928 7.4579 125.7018 55.7443 45.7120 176.4792 33 V 3.8587 8.1536 118.2553 63.2089 32.2224 175.3062 34 S 4.5654 9.1003 121.3120 60.2245 63.1256 173.9560 35 K 4.8359 7.8710 118.7967 55.1264 35.5663 174.2288 36 I 5.3706 8.1735 116.5826 59.7768 41.0478 173.9929 37 D 4.9012 9.3602 122.1253 53.2712 45.7957 174.1962 38 I 4.9065 8.3155 121.2605 59.4050 41.3846 174.4664 39 S 4.4298 9.3267 123.4925 56.7820 64.7569 174.4615 40 L 3.9665 8.8908 127.8557 58.1836 41.8094 179.3391 41 E 3.9099 8.2506 116.2402 59.5990 29.3314 178.8670 42 K 4.3609 7.6299 114.8050 56.1362 32.2811 177.3338 43 Q 3.2659 8.2366 117.6202 56.4273 26.7648 173.2560 44 L 5.0416 8.1689 118.1087 54.4117 45.3491 176.7977 45 V 4.8396 9.0854 119.6822 61.8311 35.0067 173.2151 46 D 5.5341 9.5041 128.5950 52.6223 43.6632 175.6458 47 V 5.0002 8.9900 122.5869 61.5523 35.4338 173.5587 48 Y 5.0966 9.5529 126.3154 57.2908 39.5815 174.5447 49 T 4.9174 9.1323 119.0359 61.4647 71.3196 174.6361 50 T 4.3962 8.6064 113.2797 63.5727 69.3399 175.7859 51 L 3.9978 7.6432 121.4809 53.6180 42.3628 175.3431 52 P 4.3927 0.0000 0.0000 62.7445 32.0872 176.4019 53 Y 3.9619 8.2377 121.0733 61.1954 38.8259 178.2067 54 D 4.2204 8.3504 119.0401 57.4962 40.9728 178.6974 55 F 4.1569 8.1609 120.7034 61.5252 39.3465 177.3268 56 I 3.4467 7.6080 118.6094 64.1407 36.9936 177.8857 57 L 3.5326 7.5537 120.0587 58.1962 41.4856 179.0923 58 E 3.7637 8.1627 118.0852 59.3956 29.1605 179.3334 59 K 3.6025 7.8653 118.3725 60.4745 32.5156 178.6622 60 I 3.5813 7.9804 120.3753 63.9312 36.7829 178.2387 61 K 4.4073 8.3405 121.0244 59.4887 32.1717 178.7735 62 K 3.6955 8.2254 120.4863 59.9534 32.0252 178.3087 63 T 4.0395 7.9188 108.6961 63.0832 68.6577 174.5664 64 G 3.8788 7.5027 117.0549 45.9862 0.0000 173.8069 65 K 4.2422 7.4742 120.9393 55.8718 33.5978 175.9489 66 E 4.6230 8.6493 120.8908 55.9478 31.3772 175.9803 67 V 4.2899 7.6583 122.0041 60.6819 32.2174 176.1764 68 R 4.0386 9.3808 126.3658 58.2792 30.4819 176.9836 69 S 4.5613 7.3512 110.6579 58.5315 66.8500 172.8685 70 G 4.2262 8.3632 109.0280 46.2191 0.0000 171.5885 71 K 4.4485 8.5522 118.3749 56.0446 36.2590 174.4651 72 Q 4.7725 8.1668 117.5501 54.2545 31.6026 175.6033 73 L 4.1894 8.2615 119.9453 55.0330 42.9814 176.2738 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 M 8.30 4.44 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 2 A 8.03 4.40 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 3 E 9.20 4.68 0.00 1.95 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 2.34 2.33 0.00 4 I 8.25 4.40 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 1.09 0.00 0.00 5 K 9.22 4.50 0.00 1.43 1.09 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.26 7.81 6 H 8.65 4.59 0.00 2.76 2.95 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.72 4.69 0.00 3.12 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 8 Q 8.50 4.72 0.00 2.01 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 9 F 9.37 5.32 0.00 2.98 2.91 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 10 N 9.77 5.42 0.00 2.76 2.74 0.00 0.00 6.72 7.56 0.00 0.00 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 V 8.24 4.71 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 0.75 0.00 0.00 0.98 0.00 0.00 12 V 8.09 4.06 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 0.87 0.00 0.00 0.98 0.00 0.00 13 M 7.75 4.39 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.47 0.00 14 T 7.60 4.23 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 1.21 0.00 0.00 15 C 7.70 4.45 0.00 3.14 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 16 S 8.41 4.71 0.00 3.88 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 17 G 7.66 4.39 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 0.00 18 C 7.75 3.93 0.00 3.17 3.22 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 0.00 19 S 8.27 4.19 0.00 4.07 4.20 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 20 G 8.11 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 21 A 8.17 3.94 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 22 V 8.26 3.45 2.07 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 0.95 0.00 0.00 0.96 0.00 0.00 23 N 8.32 4.24 0.00 2.96 2.97 0.00 0.00 7.31 8.04 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 24 K 8.25 3.88 0.00 1.93 1.85 0.00 1.77 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.59 7.81 25 V 8.04 3.69 2.15 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 0.98 0.00 0.00 0.92 0.00 0.00 26 L 8.29 3.99 0.00 1.87 1.73 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.85 4.21 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 1.27 0.00 0.00 28 K 7.76 4.18 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 29 L 7.90 4.30 0.00 1.83 1.78 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.35 3.94 0.00 2.17 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 2.37 2.58 0.00 31 P 0.00 4.76 0.00 2.19 2.12 0.00 3.93 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 32 D 7.46 4.39 0.00 2.64 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 33 V 8.15 3.86 2.22 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 1.07 0.00 0.00 1.06 0.00 0.00 34 S 9.10 4.57 0.00 3.96 4.10 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 35 K 7.87 4.84 0.00 1.67 1.21 0.00 1.46 0.00 0.00 1.28 0.00 0.00 2.66 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.18 1.32 7.81 36 I 8.17 5.37 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 1.00 0.00 0.00 37 D 9.36 4.90 0.00 2.67 2.63 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 38 I 8.32 4.91 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.94 0.00 0.00 39 S 9.33 4.43 0.00 3.90 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 40 L 8.89 3.97 0.00 1.80 1.71 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.25 3.91 0.00 1.96 2.07 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 2.34 2.39 0.00 42 K 7.63 4.36 0.00 1.74 1.83 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.41 7.81 43 Q 8.24 3.27 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.38 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 44 L 8.17 5.04 0.00 1.87 1.83 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.09 4.84 2.30 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 1.16 0.00 0.00 1.00 0.00 0.00 46 D 9.50 5.53 0.00 2.75 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 47 V 8.99 5.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.16 0.00 0.00 48 Y 9.55 5.10 0.00 3.12 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 49 T 9.13 4.92 4.43 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 0.00 0.00 0.00 1.54 0.00 0.00 50 T 8.61 4.40 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 1.26 0.00 0.00 51 L 7.64 4.00 0.00 1.77 1.68 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.39 0.00 2.24 2.18 0.00 3.43 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 53 Y 8.24 3.96 0.00 3.00 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 54 D 8.35 4.22 0.00 2.86 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 55 F 8.16 4.16 0.00 2.96 3.09 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 56 I 7.61 3.45 1.63 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.65 0.27 0.00 0.00 57 L 7.55 3.53 0.00 1.55 1.51 -0.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.16 3.76 0.00 2.04 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 2.23 2.43 0.00 59 K 7.87 3.60 0.00 1.63 1.69 0.00 1.09 0.00 0.00 0.89 0.00 0.00 2.32 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.20 1.31 7.81 60 I 7.98 3.58 1.79 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.33 0.81 0.00 0.00 61 K 8.34 4.41 0.00 2.03 2.09 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.25 7.81 62 K 8.23 3.70 0.00 1.82 1.88 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.45 7.81 63 T 7.92 4.04 4.20 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 1.29 0.00 0.00 64 G 7.50 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 65 K 7.47 4.24 0.00 1.67 1.74 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.46 7.81 66 E 8.65 4.62 0.00 1.88 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 2.36 2.24 0.00 67 V 7.66 4.29 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 0.71 0.00 0.00 0.91 0.00 0.00 68 R 9.38 4.04 0.00 1.89 2.04 0.00 3.22 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 69 S 7.35 4.56 0.00 3.90 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 70 G 8.36 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 0.00 0.00 0.00 0.00 71 K 8.55 4.45 0.00 1.61 1.82 0.00 1.22 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.24 7.81 72 Q 8.17 4.77 0.00 1.60 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 1.92 2.14 0.00 73 L 8.26 4.19 0.00 1.18 1.26 0.43 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00