NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6977 8.2785 119.2229 53.1563 39.3920 174.3230 4 A 3.8870 8.7896 128.3793 54.9869 18.2481 177.6058 5 K 4.0489 8.3872 116.8031 59.2718 32.5172 177.7134 6 W 4.2989 8.8479 128.7208 60.7154 30.6827 177.8096 7 D 4.2571 8.7785 119.3381 57.2024 40.1521 178.5162 8 Q 3.9247 8.5468 120.5153 58.9035 29.1225 178.1543 9 W 4.2317 8.2505 129.3208 60.7121 30.6833 177.7332 10 S 3.5526 7.4944 115.1607 61.6982 62.1424 176.9342 11 S 3.9696 7.9799 115.4255 61.4364 62.1613 175.8978 12 D 4.2678 8.1427 122.0497 57.0180 40.4260 178.6460 13 W 3.9583 7.8052 129.2463 60.2582 30.6756 177.9757 14 Q 3.7564 8.1165 119.7249 59.2520 28.5779 178.2912 15 T 3.7809 8.0359 117.0941 66.4076 68.4590 176.4832 16 W 4.0137 8.1641 130.2234 60.3955 30.7282 177.7787 17 N 3.8328 8.0942 116.4327 56.0031 37.8369 177.2057 18 A 4.0281 7.7215 122.1334 54.7615 18.4477 179.8780 19 K 3.7872 7.5339 116.7719 59.0810 32.0527 179.2504 20 W 3.7675 7.4757 128.9405 60.5929 30.4156 177.7176 21 D 4.3816 8.4417 119.0434 57.5205 40.1996 178.9523 22 Q 3.8882 8.0937 118.6027 58.4328 28.6027 178.4293 23 W 3.8720 7.9706 129.5500 60.3041 30.6272 178.0584 24 S 3.2112 7.9494 113.4949 60.9666 61.7780 175.5916 25 N 4.1790 8.0985 119.4861 56.6091 38.3039 177.0370 26 D 4.2249 7.7235 119.8564 57.0695 40.8961 178.6904 27 W 3.7780 7.5675 129.1321 60.3191 30.4635 177.7139 28 N 4.2226 8.4460 116.5263 56.0990 37.9533 177.2149 29 A 3.8607 7.9388 122.0726 54.8779 18.4367 179.4403 30 W 3.8211 8.0725 126.9090 60.4403 30.7493 178.1020 31 R 3.0651 7.8772 118.9068 59.2749 29.4141 178.5929 32 S 4.0179 8.0631 115.2575 61.7314 62.7025 176.4512 33 D 4.2375 7.9127 121.4884 56.9912 40.4527 178.7160 34 W 3.6658 7.6277 129.1880 60.3801 30.5814 178.1893 35 Q 3.8834 8.1467 117.8610 58.5152 28.0907 178.4153 36 A 3.8837 7.9843 122.0331 54.7625 18.3660 179.3659 37 W 3.8835 8.1853 127.0745 60.5178 30.8521 178.0624 38 K 2.9437 7.8900 119.8056 59.2336 31.3614 178.5189 39 D 4.2539 7.9192 119.2100 57.2693 40.6506 178.3526 40 D 4.2173 7.9863 119.4958 57.1073 40.7857 178.6953 41 W 3.8634 7.9560 128.9970 60.1614 30.5113 177.9908 42 A 3.5957 7.9133 120.6505 54.8296 17.8308 179.4319 43 R 3.5905 7.9393 117.3992 59.4706 30.0123 178.8127 44 W 3.7517 8.1454 118.5887 59.2123 28.9851 178.1958 45 N 4.2283 7.8967 116.7278 56.5155 37.8958 177.0745 46 Q 3.8333 7.8599 120.6130 58.9849 29.1012 178.2617 47 R 3.6667 7.4621 119.6633 59.2840 29.8556 178.6592 48 W 4.7107 7.7547 117.5332 59.6941 29.3704 177.7865 49 D 4.6009 8.5712 118.4345 57.5791 40.5824 177.9559 50 N 4.3655 8.6273 117.3998 56.2645 38.2985 177.1646 51 W 4.1931 8.4654 128.5194 59.5542 30.9115 176.9154 52 A 4.4228 7.9364 117.9940 52.4177 19.2324 176.8882 53 T 4.1148 7.5179 118.9706 63.5535 68.7072 174.6286 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 3 N 8.28 4.70 0.00 2.81 3.00 0.00 0.00 6.93 7.41 0.00 0.00 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 A 8.79 3.89 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 4.05 0.00 1.90 1.96 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.50 7.81 6 W 8.85 4.30 0.00 3.51 3.34 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 7 D 8.78 4.26 0.00 2.88 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 8 Q 8.55 3.92 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 W 8.25 4.23 0.00 3.33 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.49 3.55 0.00 3.75 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 3.97 0.00 3.83 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 12 D 8.14 4.27 0.00 2.69 2.68 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 13 W 7.81 3.96 0.00 1.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 3.76 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 15 T 8.04 3.78 4.48 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 1.22 0.00 0.00 16 W 8.16 4.01 0.00 3.41 3.07 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 0.00 0.00 0.00 17 N 8.09 3.83 0.00 2.58 2.60 0.00 0.00 6.90 8.06 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 18 A 7.72 4.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 3.79 0.00 1.58 1.65 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.49 7.81 20 W 7.48 3.77 0.00 1.98 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.38 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.09 3.89 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 23 W 7.97 3.87 0.00 3.28 2.99 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 24 S 7.95 3.21 0.00 3.27 3.73 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 0.00 0.00 0.00 0.00 25 N 8.10 4.18 0.00 2.85 2.78 0.00 0.00 7.05 8.78 0.00 0.00 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 D 7.72 4.22 0.00 2.51 2.57 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 27 W 7.57 3.78 0.00 1.89 2.48 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 28 N 8.45 4.22 0.00 2.91 2.82 0.00 0.00 6.90 8.79 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 29 A 7.94 3.86 1.33 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 30 W 8.07 3.82 0.00 3.36 3.11 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 31 R 7.88 3.07 0.00 0.67 1.45 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.00 32 S 8.06 4.02 0.00 3.88 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 33 D 7.91 4.24 0.00 2.50 2.56 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 0.00 0.00 0.00 0.00 34 W 7.63 3.67 0.00 1.78 2.62 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 0.00 0.00 0.00 0.00 35 Q 8.15 3.88 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 36 A 7.98 3.88 1.30 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 0.00 0.00 37 W 8.19 3.88 0.00 3.28 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 38 K 7.89 2.94 0.00 0.79 1.41 0.00 1.26 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.21 1.05 7.81 39 D 7.92 4.25 0.00 2.80 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 40 D 7.99 4.22 0.00 2.69 2.81 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 41 W 7.96 3.86 0.00 1.93 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 42 A 7.91 3.60 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.94 3.59 0.00 1.64 1.80 0.00 2.68 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.30 0.00 44 W 8.15 3.75 0.00 3.33 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 45 N 7.90 4.23 0.00 2.45 2.59 0.00 0.00 6.58 7.67 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 46 Q 7.86 3.83 0.00 2.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 47 R 7.46 3.67 0.00 1.32 1.34 0.00 2.21 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.25 0.00 48 W 7.75 4.71 0.00 3.43 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 49 D 8.57 4.60 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.63 4.37 0.00 2.92 2.87 0.00 0.00 6.71 7.26 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 51 W 8.47 4.19 0.00 3.54 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 52 A 7.94 4.42 1.63 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 0.00 0.00 53 T 7.52 4.11 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 1.20 0.00 0.00