NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2318 8.3044 120.3641 55.7710 33.4945 172.9949 2 I 2.7661 7.7396 122.2074 59.1029 38.8855 167.6490 3 V 3.0013 8.3968 126.4483 61.7204 32.8813 173.6555 4 P 4.1963 0.0000 0.0000 61.9283 31.5960 176.5810 5 V 3.2812 8.3147 123.1047 64.2510 31.6928 172.6174 6 R 4.3695 9.0105 130.8895 54.8125 28.3165 175.6895 7 C 3.6959 8.2501 117.5825 58.1585 29.9065 175.0341 8 F 4.4289 7.9904 121.5189 60.3401 38.6417 176.4385 9 S 4.6177 7.6261 112.5596 58.6616 64.0492 174.4073 10 C 4.4864 8.8241 114.0624 60.7066 30.9074 173.6344 11 G 3.4785 8.3355 109.1474 44.7620 0.0000 174.0592 12 K 3.9550 8.0012 122.9614 56.0197 32.7072 176.2746 13 V 3.8915 8.3603 119.5830 62.0613 32.0277 176.3117 14 V 4.3316 8.2575 115.4028 60.8926 33.9509 177.6596 15 G 3.9079 8.0597 108.9040 48.9854 0.0000 174.9909 16 D 4.5708 8.0662 119.1174 54.3765 39.6076 177.5928 17 K 4.3824 8.0873 119.4221 57.1616 32.7708 178.3124 18 W 4.2849 8.0459 129.0370 60.6434 30.2179 177.3411 19 E 3.9658 8.5807 118.0128 59.9152 28.8122 179.7619 20 S 4.0975 8.0237 114.1945 61.6585 62.8149 175.5260 21 Y 4.1866 7.7997 121.0699 61.0602 38.7188 178.2699 22 L 3.6755 7.3862 118.8950 57.7800 41.5603 179.3257 23 N 4.3268 7.7076 115.6824 55.9839 37.9506 176.9336 24 L 4.1714 8.2122 119.4272 56.1473 41.2711 178.3629 25 L 4.2356 7.5129 118.8127 55.1507 42.2422 177.3285 26 Q 4.1969 7.5452 116.5522 57.5778 30.4501 176.1777 27 E 4.0115 7.5994 118.9557 59.3456 29.7588 177.6038 28 D 4.4420 7.9422 115.4421 54.3422 41.7282 175.8656 29 E 3.8304 7.7801 116.4024 56.6670 26.4278 173.6222 30 L 4.5708 7.2901 116.6881 53.3420 44.2181 176.8747 31 D 4.7624 8.0901 119.5330 52.4868 42.1727 177.0804 32 E 4.0633 8.9416 121.1709 59.8506 29.4787 180.2401 33 G 3.6118 8.1806 105.0176 48.2681 0.0000 175.8668 34 T 3.9558 7.9752 118.6153 66.0130 68.3544 176.7118 35 A 4.0777 8.3502 123.0634 55.3575 18.4109 179.7398 36 L 4.0247 8.2933 117.4217 58.0565 41.7054 179.9444 37 S 4.1718 8.0413 114.7526 61.5224 62.5498 176.6292 38 R 3.9752 8.2474 120.9712 59.2000 29.8507 177.6704 39 L 4.3978 7.6117 115.8572 53.9052 42.2362 176.7474 40 G 3.7862 8.0179 106.4081 47.0897 0.0000 175.9656 41 L 4.5346 7.6698 119.2430 52.7117 41.8957 176.8660 42 K 4.2752 8.3891 122.2984 58.6112 34.1070 179.0810 43 R 3.9706 7.6759 117.4053 55.9234 31.3003 176.6096 44 Y 4.4808 7.6712 119.2079 58.7558 38.4278 177.5197 45 C 4.2375 7.4243 116.1089 61.6367 29.9965 175.1095 46 C 4.2341 7.8732 118.6607 62.3716 27.9420 175.9168 47 R 3.9514 7.8734 119.7916 59.2812 29.7969 179.2130 48 R 4.0941 8.2010 115.5296 58.8432 29.3411 178.4425 49 M 3.9156 7.4801 118.4303 58.5983 32.3481 177.7231 50 I 4.0486 7.4961 119.0230 63.5813 37.4787 177.8427 51 L 4.0250 7.6738 120.4613 58.5757 41.9464 177.9814 52 T 4.2730 7.6758 111.4911 64.3788 68.6895 174.2746 53 H 4.4293 7.7973 122.9078 55.4486 30.4637 174.4193 54 V 4.1427 7.9713 126.0469 61.2160 32.3489 175.2099 55 D 4.4911 8.2654 128.3814 53.0746 39.8584 176.0004 56 L 4.2146 8.2338 125.1685 56.7426 41.9835 177.9911 57 I 3.9454 8.2108 118.6486 64.6501 37.4922 177.1069 58 E 3.9966 8.3170 117.4272 59.8375 29.6711 179.4546 59 K 4.1315 8.7299 118.3965 59.2095 31.8410 179.4379 60 F 4.4237 8.2288 117.7655 60.7695 38.6837 177.4903 61 L 4.2822 8.1165 117.5696 57.4010 41.4654 178.3718 62 R 3.9691 7.5871 118.3171 59.2391 30.1842 176.6662 63 Y 4.2047 7.4374 114.0267 57.5074 37.9489 174.9554 64 N 4.3784 8.6495 123.9875 54.9535 39.7304 172.8445 65 P 4.5175 0.0000 0.0000 62.7758 31.6987 175.2806 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 4.23 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 2 I 7.74 2.77 1.79 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 1.23 0.58 0.82 0.00 0.00 3 V 8.40 3.00 1.87 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 0.69 0.00 0.00 0.22 0.00 0.00 4 P 0.00 4.20 0.00 1.75 1.72 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 5 V 8.31 3.28 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 0.76 0.00 0.00 0.89 0.00 0.00 6 R 9.01 4.37 0.00 1.96 2.01 0.00 3.32 0.00 0.00 3.92 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 7 C 8.25 3.70 0.00 2.94 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 8 F 7.99 4.43 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 4.62 0.00 4.09 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 10 C 8.82 4.49 0.00 3.03 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 11 G 8.34 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.00 3.96 0.00 1.76 1.65 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.44 7.81 13 V 8.36 3.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.92 0.00 0.00 14 V 8.26 4.33 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 0.71 0.00 0.00 0.89 0.00 0.00 15 G 8.06 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 16 D 8.07 4.57 0.00 2.82 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 17 K 8.09 4.38 0.00 1.97 1.91 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.53 7.81 18 W 8.05 4.28 0.00 3.34 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 19 E 8.58 3.97 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 20 S 8.02 4.10 0.00 4.06 3.92 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 21 Y 7.80 4.19 0.00 2.86 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 22 L 7.39 3.68 0.00 1.64 1.48 -0.24 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.71 4.33 0.00 2.81 3.04 0.00 0.00 7.07 6.62 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 24 L 8.21 4.17 0.00 1.80 1.65 0.94 0.56 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 25 L 7.51 4.24 0.00 1.56 1.47 0.23 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.55 4.20 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.06 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 27 E 7.60 4.01 0.00 1.88 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 0.00 2.29 2.25 0.00 28 D 7.94 4.44 0.00 2.64 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 29 E 7.78 3.83 0.00 2.09 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 2.18 2.40 0.00 30 L 7.29 4.57 0.00 1.83 1.57 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.09 4.76 0.00 2.86 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 32 E 8.94 4.06 0.00 2.15 2.25 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 2.48 2.46 0.00 33 G 8.18 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 3.96 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 35 A 8.35 4.08 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 36 L 8.29 4.02 0.00 1.94 1.76 1.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.04 4.17 0.00 4.05 3.92 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 38 R 8.25 3.98 0.00 1.89 1.98 0.00 3.25 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 1.65 1.68 0.00 39 L 7.61 4.40 0.00 1.64 1.70 1.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.02 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 41 L 7.67 4.53 0.00 1.84 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.39 4.28 0.00 1.87 1.93 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.40 7.81 43 R 7.68 3.97 0.00 1.81 1.98 0.00 2.88 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 44 Y 7.67 4.48 0.00 3.25 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 45 C 7.42 4.24 0.00 3.11 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 46 C 7.87 4.23 0.00 3.13 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 47 R 7.87 3.95 0.00 2.13 2.03 0.00 3.22 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 48 R 8.20 4.09 0.00 2.16 2.26 0.00 2.89 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 49 M 7.48 3.92 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 50 I 7.50 4.05 1.66 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 1.44 0.80 0.28 0.00 0.00 51 L 7.67 4.03 0.00 1.68 1.82 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.68 4.27 4.45 0.00 0.00 0.00 0.00 0.00 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 53 H 7.80 4.43 0.00 3.19 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.97 4.14 2.06 0.00 0.00 0.00 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 55 D 8.27 4.49 0.00 2.59 2.75 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 0.00 0.00 0.00 56 L 8.23 4.21 0.00 2.21 1.85 1.08 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.21 3.95 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.30 1.05 0.00 0.00 58 E 8.32 4.00 0.00 2.06 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 0.00 2.68 2.53 0.00 59 K 8.73 4.13 0.00 1.79 1.69 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 60 F 8.23 4.42 0.00 3.33 3.14 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 0.00 0.00 0.00 0.00 61 L 8.12 4.28 0.00 1.72 1.81 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.59 3.97 0.00 1.75 1.74 0.00 3.28 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 63 Y 7.44 4.20 0.00 3.07 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 64 N 8.65 4.38 0.00 2.70 2.83 0.00 0.00 7.02 7.69 0.00 0.00 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 P 0.00 4.52 0.00 2.23 2.03 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00