NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9398 8.3393 109.7364 45.7230 0.0000 172.5618 2 S 4.3357 7.9408 111.4975 57.4388 64.6351 173.4736 3 S 4.4765 7.8696 114.4267 57.7419 65.7612 175.8267 4 G 4.0948 8.0589 109.8311 45.4610 0.0000 172.5939 5 S 4.5729 8.3764 116.1392 57.2386 65.5551 172.1615 6 S 4.4714 7.6475 117.0875 57.2073 64.9662 172.3383 7 G 4.1092 7.8673 111.9915 44.2007 0.0000 172.2430 8 L 4.3997 7.3338 121.3297 54.9886 42.4955 173.5665 9 L 4.8489 8.3274 118.9778 53.0639 45.4588 176.2145 10 E 4.5244 8.4877 118.6843 54.8966 32.0699 175.3159 11 I 4.2780 8.2379 125.0172 59.6336 38.6504 175.8894 12 K 4.3002 8.3702 126.1820 55.4569 33.6805 174.6600 13 R 4.7161 8.0543 121.8773 53.5183 32.6984 175.5487 14 K 3.9833 8.6165 118.8811 60.0027 32.1125 176.3396 15 G 4.3336 8.4449 110.6275 45.8612 0.0000 173.7334 16 A 4.0138 7.6173 122.8392 51.1778 18.8901 177.4393 17 K 3.9744 8.4332 121.0917 56.1834 32.6237 177.6125 18 R 4.0044 8.4533 120.7272 56.8029 28.2034 175.5127 19 G 4.5492 7.2729 115.3725 45.0022 0.0000 169.4931 20 S 4.5337 7.7823 114.5043 56.6275 63.6569 174.6735 21 Q 3.9924 8.4370 125.5795 56.9283 29.2778 176.2311 22 H 4.1358 8.6854 120.1879 57.2972 25.4581 173.8210 23 Y 4.6140 7.9167 113.7051 57.5797 39.3813 174.7613 24 S 4.5389 7.7833 111.2675 56.4599 66.1664 172.5420 25 D 4.8968 8.3957 121.7734 52.5460 44.3583 175.7187 26 R 4.6637 8.2900 119.1987 54.6480 32.3840 174.4344 27 T 5.2913 8.0653 112.8808 58.1518 71.9332 173.2694 28 C 4.1124 8.6951 124.1094 59.8928 32.8367 173.8680 29 A 4.7116 8.7592 123.7536 52.0538 19.4257 177.7759 30 R 4.5790 7.9438 113.6972 56.1478 32.5917 176.1342 31 C 4.6925 7.7492 108.3705 56.4746 31.3456 173.3264 32 Q 3.9782 7.8276 117.7800 55.9402 25.9972 172.7689 33 E 4.3246 7.6009 116.6681 54.9863 31.3561 176.7892 34 S 4.3728 8.2320 114.9120 58.0595 62.3698 173.4563 35 L 4.4508 8.2456 130.3759 55.0688 41.4939 180.0519 36 G 3.6952 7.7936 107.9614 48.8503 0.0000 175.7831 37 R 3.9821 7.9731 119.9234 58.3664 30.3850 177.6082 38 L 4.1237 6.9965 114.4978 54.8666 42.3069 176.5244 39 S 4.7078 8.2546 115.7760 56.1925 63.8281 173.8247 40 P 4.3081 0.0000 0.0000 65.4500 31.6082 177.9414 41 K 4.1124 8.2487 117.9340 59.2049 32.0628 177.8114 42 T 4.4082 7.7972 106.6662 63.1432 70.0251 174.2963 43 N 4.8489 8.3341 120.4753 53.9962 38.8346 174.5197 44 T 5.0974 8.1267 114.9119 61.7387 70.3378 174.2970 45 C 2.6732 8.8637 127.3706 58.7495 31.3799 174.3938 46 R 3.7539 6.7306 127.8286 58.7817 29.5552 178.6106 47 G 3.5725 7.4874 106.9356 47.4945 0.0000 174.1943 48 C 4.4859 7.6608 113.3649 56.4957 30.0798 173.4170 49 N 4.0820 7.8973 115.6342 55.0140 36.5173 173.5392 50 H 5.0003 7.7650 115.7532 54.4968 32.6396 173.5647 51 L 5.2460 8.4299 120.6598 54.0595 43.7444 175.9393 52 V 4.9882 8.5262 118.4937 59.8035 36.3132 175.0486 53 C 4.3789 8.3307 117.1558 57.2448 31.2212 174.1562 54 R 4.0884 8.2006 115.8170 56.5294 29.2269 176.8152 55 D 4.7401 7.6352 118.7472 54.6029 43.2913 176.3094 56 C 4.8638 7.9193 115.5592 59.2831 29.3919 173.1239 57 R 5.3137 7.8352 114.4609 54.4980 32.8342 174.2880 58 I 4.7054 9.1043 119.5163 59.4120 40.9197 175.2006 59 Q 4.5467 8.8568 125.8546 56.1144 29.3151 175.0875 60 E 4.8460 9.0795 123.0998 54.3348 33.9412 175.3143 61 S 4.3404 8.4362 116.1061 59.1931 63.9672 173.9729 62 N 4.2139 9.6854 117.0930 54.3808 37.0695 173.8635 63 G 4.0472 8.2016 100.8974 46.5804 0.0000 173.9002 64 T 4.8992 8.0773 108.5990 59.4103 71.0471 173.0210 65 W 6.0132 7.7630 117.7164 55.5134 31.8572 173.5212 66 R 4.9546 8.7811 119.4361 54.2559 34.7060 174.5303 67 C 4.9537 8.7466 114.9824 57.8554 30.9312 174.6167 68 K 3.8567 9.2097 122.0194 60.2357 31.4538 179.6837 69 V 3.7927 7.8231 116.0881 66.2466 31.4466 176.9673 70 C 4.3387 7.8544 115.5406 62.3572 28.4439 175.5429 71 S 4.3951 8.8514 117.8541 63.3458 63.1069 176.5900 72 G 3.9106 8.5522 111.2302 44.3891 0.0000 170.9639 73 P 4.5240 0.0000 0.0000 62.1455 32.2486 176.1838 74 S 4.3474 8.2354 114.7472 58.7187 63.3254 174.1531 75 S 4.5491 8.2431 116.6893 56.4516 65.1876 174.1334 76 G 3.7597 8.7774 115.2794 45.9427 0.0000 173.0675 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 G 8.34 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 0.00 0.00 0.00 2 S 7.94 4.34 0.00 4.00 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 3 S 7.87 4.48 0.00 3.79 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 4 G 8.06 4.09 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 0.00 0.00 0.00 5 S 8.38 4.57 0.00 3.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.47 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.33 4.40 0.00 1.70 1.59 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.33 4.85 0.00 1.60 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.49 4.52 0.00 1.89 1.83 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 2.20 2.30 0.00 11 I 8.24 4.28 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 1.30 0.53 0.91 0.00 0.00 12 K 8.37 4.30 0.00 1.66 1.66 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.43 7.81 13 R 8.05 4.72 0.00 1.89 1.87 0.00 3.29 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 14 K 8.62 3.98 0.00 1.71 1.86 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.49 7.81 15 G 8.44 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.62 4.01 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 17 K 8.43 3.97 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 18 R 8.45 4.00 0.00 1.71 1.85 0.00 3.32 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 19 G 7.27 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.78 4.53 0.00 3.98 3.75 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 21 Q 8.44 3.99 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 22 H 8.69 4.14 0.00 3.35 3.41 0.00 5.71 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.92 4.61 0.00 3.02 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 24 S 7.78 4.54 0.00 3.93 3.77 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 25 D 8.40 4.90 0.00 2.54 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 0.00 0.00 0.00 0.00 26 R 8.29 4.66 0.00 1.67 1.84 0.00 3.24 0.00 0.00 3.39 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 27 T 8.07 5.29 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 28 C 8.70 4.11 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 29 A 8.76 4.71 1.29 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 0.00 0.00 0.00 30 R 7.94 4.58 0.00 1.78 1.96 0.00 3.37 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 31 C 7.75 4.69 0.00 3.01 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 32 Q 7.83 3.98 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.08 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 33 E 7.60 4.32 0.00 1.97 1.86 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 2.35 2.21 0.00 34 S 8.23 4.37 0.00 3.96 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 35 L 8.25 4.45 0.00 1.81 1.69 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.98 0.00 1.79 2.00 0.00 3.21 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 38 L 7.00 4.12 0.00 1.65 1.60 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.25 4.71 0.00 3.86 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 40 P 0.00 4.31 0.00 2.20 2.20 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 41 K 8.25 4.11 0.00 1.80 1.95 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.46 7.81 42 T 7.80 4.41 4.33 0.00 0.00 0.00 0.00 0.00 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 43 N 8.33 4.85 0.00 2.93 3.13 0.00 0.00 6.71 7.25 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 44 T 8.13 5.10 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 1.24 0.00 0.00 45 C 8.86 2.67 0.00 3.11 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 46 R 6.73 3.75 0.00 1.65 1.78 0.00 3.01 0.00 0.00 3.03 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.00 47 G 7.49 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.66 4.49 0.00 2.86 2.94 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 49 N 7.90 4.08 0.00 2.69 2.87 0.00 0.00 6.72 7.63 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 50 H 7.76 5.00 0.00 3.11 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.43 5.25 0.00 1.79 1.55 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.53 4.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.27 0.00 0.00 53 C 8.33 4.38 0.00 3.03 3.04 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 54 R 8.20 4.09 0.00 1.70 1.81 0.00 2.99 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 55 D 7.64 4.74 0.00 2.47 2.59 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 56 C 7.92 4.86 0.00 2.91 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 57 R 7.84 5.31 0.00 1.74 1.78 0.00 2.73 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.49 0.00 58 I 9.10 4.71 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.08 0.96 0.00 0.00 59 Q 8.86 4.55 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 60 E 9.08 4.85 0.00 1.89 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 2.28 2.45 0.00 61 S 8.44 4.34 0.00 3.89 3.84 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 62 N 9.69 4.21 0.00 2.76 2.81 0.00 0.00 6.84 7.97 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 63 G 8.20 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 64 T 8.08 4.90 4.16 0.00 0.00 0.00 0.00 0.00 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 65 W 7.76 6.01 0.00 3.55 3.18 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 0.00 0.00 0.00 0.00 66 R 8.78 4.95 0.00 1.77 1.83 0.00 3.09 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 67 C 8.75 4.95 0.00 3.22 3.26 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 68 K 9.21 3.86 0.00 1.79 1.96 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.50 1.62 7.81 69 V 7.82 3.79 2.12 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 0.98 0.00 0.00 0.96 0.00 0.00 70 C 7.85 4.34 0.00 3.26 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 71 S 8.85 4.40 0.00 3.97 3.98 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 72 G 8.55 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 73 P 0.00 4.52 0.00 2.20 2.09 0.00 3.79 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 1.99 1.99 0.00 74 S 8.24 4.35 0.00 3.89 3.84 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 75 S 8.24 4.55 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00