NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4363 8.1627 120.6060 55.4352 34.0803 173.5082 2 Q 4.8720 8.4861 126.7241 52.4590 32.0857 172.5546 3 I 4.9033 8.6571 119.4019 58.9333 42.2743 173.3462 4 F 5.1903 8.7249 119.1517 55.8063 43.1564 174.9526 5 V 4.6009 8.4660 122.0593 60.9349 33.8852 173.8506 6 K 4.8122 8.4185 130.4874 55.8151 33.4003 176.4328 7 T 4.6543 8.4219 117.3737 60.3181 70.1758 175.7863 8 L 4.1098 8.4421 122.2376 57.3256 41.6783 178.2970 9 T 4.1800 7.2028 114.0711 63.4773 68.8663 175.4596 10 G 4.0099 8.0992 109.3889 45.0766 0.0000 173.8746 11 K 4.3205 7.8211 120.7410 57.0702 33.7714 175.2987 12 T 5.0680 8.1437 117.3104 62.2844 72.7309 174.2918 13 I 4.5359 8.6753 125.9947 59.5545 39.1720 174.2089 14 T 4.7217 8.4314 117.3352 60.7850 69.2411 173.9850 15 L 4.8405 8.4655 124.6061 52.7684 46.3602 174.7990 16 E 4.7838 8.6353 118.9023 55.0549 31.1936 175.9894 17 V 4.6219 8.4279 117.1028 59.6767 36.4435 174.6369 18 E 4.8217 9.8596 120.4749 53.9642 33.0029 176.1961 19 P 4.3349 0.0000 0.0000 64.6683 31.5450 177.7973 20 S 4.6429 7.7197 111.0113 57.8826 64.0570 174.2139 21 D 4.4536 7.8110 122.5949 54.6266 40.7938 175.4716 22 T 5.2912 8.2183 112.6409 60.3559 70.3386 175.6473 23 I 3.9699 8.6176 126.2999 64.8341 36.6324 177.6855 24 E 4.0289 8.3145 119.0321 58.6239 29.3006 177.6997 25 N 4.7017 9.3573 116.0779 54.6437 39.3601 177.2756 26 V 3.6517 7.5417 119.4437 65.5460 31.4474 178.1104 27 K 4.0355 7.9915 117.8392 59.0648 31.9438 178.7578 28 A 3.9814 7.2243 120.5619 54.9878 18.5010 179.2253 29 K 4.0824 7.9115 117.8340 59.4655 32.4519 179.0618 30 I 3.9036 7.6799 119.1071 63.4940 37.1216 177.1158 31 Q 4.3758 8.1229 119.5232 56.8940 28.6478 176.2621 32 D 4.8138 7.8667 117.4581 55.2743 43.3727 177.2581 33 K 4.2935 8.0571 116.6815 57.6522 32.6028 177.2830 34 E 4.5065 7.8463 115.5107 54.6992 31.8584 175.6962 35 G 4.0337 8.1360 105.4743 47.7889 0.0000 173.8018 36 I 4.3234 7.6495 120.3638 58.2083 38.7155 174.2986 37 P 4.3102 0.0000 0.0000 62.2886 32.0136 175.8008 38 P 4.2693 0.0000 0.0000 65.7952 31.3547 177.9721 39 D 4.5941 8.1148 114.6616 55.0511 39.6134 176.2699 40 Q 4.7226 8.1193 118.5469 55.7529 30.4371 174.7663 41 Q 5.0257 8.1093 117.4801 54.5149 32.4831 175.8787 42 R 4.4292 8.3665 119.6616 55.5439 34.5200 174.3083 43 L 5.6711 8.5427 125.1605 52.7110 43.0826 175.5859 44 I 4.5712 8.2627 125.9583 60.3111 38.7812 174.8668 45 F 4.7499 9.0888 130.4398 56.4927 40.7060 173.9674 46 A 3.3718 9.0539 127.8907 53.5144 15.0566 177.4532 47 G 3.9540 8.0535 104.0224 45.1664 0.0000 171.1091 48 K 4.4606 7.5058 120.6019 54.2434 34.3832 174.9395 49 Q 4.6370 8.3355 123.3558 54.7146 29.0777 175.1456 50 L 3.6474 7.8424 124.5944 54.6156 41.8932 177.4104 51 E 4.4803 8.8522 123.3112 55.9085 30.9696 177.3403 52 D 4.6890 8.9185 120.4476 55.6654 41.3241 177.3677 53 G 4.0461 7.9770 107.4079 45.1219 0.0000 173.2174 54 R 4.7770 7.5619 119.1872 54.1347 33.4689 174.0943 55 T 5.7413 7.5117 106.5084 59.0542 72.0836 174.8033 56 L 4.0293 8.3506 120.6263 57.3868 41.6624 179.1059 57 S 4.4987 7.7253 111.0368 58.8558 63.5508 174.8979 58 D 4.3473 7.6663 120.9446 56.5977 40.7419 176.7478 59 Y 4.6419 7.7091 114.4679 57.1710 38.3008 174.8104 60 N 4.1069 8.3395 114.9995 54.2940 37.5068 173.7636 61 I 3.5422 7.6284 116.7592 61.4741 37.1784 175.1032 62 Q 4.7312 8.6410 129.9149 54.2839 30.5305 174.8011 63 K 3.9494 8.4519 123.0864 59.0131 32.1617 177.3288 64 E 3.7653 9.6047 126.7372 56.7963 27.4701 174.6769 65 S 4.4721 7.8294 116.3629 59.0009 64.0319 173.5943 66 T 4.6640 8.8077 121.9158 62.6953 68.7752 174.2200 67 L 4.9010 8.5414 129.4924 54.2969 45.1992 175.1069 68 H 5.0765 8.3838 115.4253 55.0121 33.3468 172.9277 69 L 4.5115 8.9165 126.6561 54.4251 42.0665 175.7321 70 V 4.3150 8.9314 128.0910 61.0576 33.4682 174.5994 71 L 4.4802 8.5255 128.5627 54.5950 42.1548 177.7569 72 R 4.3634 8.4863 125.0768 54.8797 28.1328 175.9690 73 L 4.5993 8.1331 121.1063 54.2802 44.4189 177.2168 74 R 4.0671 7.9129 119.0312 55.3686 30.5999 176.1364 75 G 3.8639 8.5947 114.0250 45.5287 0.0000 173.6187 76 G 3.7191 8.3803 107.0342 45.5155 0.0000 173.3101 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 8.16 4.44 0.00 2.35 1.97 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 2 Q 8.49 4.87 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.49 0.00 0.00 0.00 0.00 0.00 1.90 2.49 0.00 3 I 8.66 4.90 1.95 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 1.12 0.69 0.87 0.00 0.00 4 F 8.72 5.19 0.00 3.01 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 5 V 8.47 4.60 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 0.97 0.00 0.00 0.96 0.00 0.00 6 K 8.42 4.81 0.00 1.81 1.63 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.50 7.81 7 T 8.42 4.65 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 1.23 0.00 0.00 8 L 8.44 4.11 0.00 1.66 1.78 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.20 4.18 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 10 G 8.10 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.82 4.32 0.00 1.86 1.72 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.48 7.81 12 T 8.14 5.07 4.21 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 1.29 0.00 0.00 13 I 8.68 4.54 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.94 0.00 0.00 14 T 8.43 4.72 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 1.74 0.00 0.00 15 L 8.47 4.84 0.00 1.54 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 4.78 0.00 1.79 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 2.17 2.22 0.00 17 V 8.43 4.62 2.18 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 0.65 0.00 0.00 0.87 0.00 0.00 18 E 9.86 4.82 0.00 1.88 1.77 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 2.18 2.37 0.00 19 P 0.00 4.33 0.00 2.15 2.07 0.00 3.55 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 2.09 2.05 0.00 20 S 7.72 4.64 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.45 0.00 2.73 2.61 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 22 T 8.22 5.29 4.44 0.00 0.00 0.00 0.00 0.00 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 23 I 8.62 3.97 2.05 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 1.61 1.48 0.92 0.00 0.00 24 E 8.31 4.03 0.00 2.16 1.96 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 2.38 2.41 0.00 25 N 9.36 4.70 0.00 2.92 2.83 0.00 0.00 6.46 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 26 V 7.54 3.65 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 1.02 0.00 0.00 0.93 0.00 0.00 27 K 7.99 4.04 0.00 1.98 1.83 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.69 7.81 28 A 7.22 3.98 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 29 K 7.91 4.08 0.00 1.80 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 30 I 7.68 3.90 1.88 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 1.42 0.92 0.97 0.00 0.00 31 Q 8.12 4.38 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 32 D 7.87 4.81 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 33 K 8.06 4.29 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 E 7.85 4.51 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 35 G 8.14 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 0.00 0.00 0.00 36 I 7.65 4.32 1.88 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 1.42 0.85 0.92 0.00 0.00 37 P 0.00 4.31 0.00 2.17 1.99 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 38 P 0.00 4.27 0.00 2.18 2.11 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.11 4.59 0.00 2.78 2.80 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 40 Q 8.12 4.72 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 41 Q 8.11 5.03 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 42 R 8.37 4.43 0.00 1.87 1.79 0.00 3.27 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 43 L 8.54 5.67 0.00 1.63 1.62 0.94 1.01 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 44 I 8.26 4.57 1.90 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 1.24 1.08 0.90 0.00 0.00 45 F 9.09 4.75 0.00 2.83 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 46 A 9.05 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.05 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 48 K 7.51 4.46 0.00 1.82 1.77 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.28 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 1.30 7.81 49 Q 8.34 4.64 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 50 L 7.84 3.65 0.00 1.47 1.41 0.75 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.85 4.48 0.00 2.04 1.92 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 2.37 2.42 0.00 52 D 8.92 4.69 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 4.05 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 0.00 0.00 0.00 54 R 7.56 4.78 0.00 2.18 1.79 0.00 2.92 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 55 T 7.51 5.74 4.30 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 1.24 0.00 0.00 56 L 8.35 4.03 0.00 1.69 1.70 0.93 0.68 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 57 S 7.73 4.50 0.00 3.98 3.97 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 58 D 7.67 4.35 0.00 2.56 2.28 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 59 Y 7.71 4.64 0.00 2.78 2.79 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 60 N 8.34 4.11 0.00 2.88 2.95 0.00 0.00 7.19 7.94 0.00 0.00 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 I 7.63 3.54 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.32 0.69 0.00 0.00 62 Q 8.64 4.73 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 63 K 8.45 3.95 0.00 1.67 1.74 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.51 7.81 64 E 9.60 3.77 0.00 2.09 2.28 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 2.39 2.57 0.00 65 S 7.83 4.47 0.00 3.73 3.97 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 66 T 8.81 4.66 4.32 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 1.17 0.00 0.00 67 L 8.54 4.90 0.00 1.71 1.72 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.38 5.08 0.00 3.28 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.92 4.51 0.00 1.65 1.64 0.99 1.12 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 70 V 8.93 4.31 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 0.91 0.00 0.00 0.94 0.00 0.00 71 L 8.53 4.48 0.00 1.58 1.61 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.49 4.36 0.00 1.73 1.90 0.00 3.27 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 73 L 8.13 4.60 0.00 1.59 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.91 4.07 0.00 1.77 1.82 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 75 G 8.59 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 76 G 8.38 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00