NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4168 8.3044 120.3487 55.2411 33.0429 174.9208 2 K 3.9189 8.8030 128.2861 58.4444 32.6195 175.1004 3 P 4.4727 0.0000 0.0000 61.9134 32.8805 176.0587 4 V 3.9419 8.2465 121.6793 62.9956 32.4951 175.0457 5 T 4.9263 8.3885 113.0748 58.8288 71.7966 174.7511 6 L 3.2542 8.4819 123.4835 58.4435 41.9067 178.9855 7 Y 4.0183 7.7320 115.4762 61.0243 37.6948 178.0639 8 D 4.4344 8.2058 120.0229 57.1401 40.8364 178.9982 9 V 3.5232 7.3973 118.2330 65.6878 31.5999 177.7356 10 A 3.9524 8.0311 120.5325 55.1562 18.1590 179.1090 11 E 3.8955 8.1010 117.5149 59.5958 29.5218 178.3107 12 Y 3.9276 8.0146 117.8136 60.8155 39.0622 177.8643 13 A 4.1571 8.1611 119.6483 52.7507 19.0422 176.9118 14 G 3.6192 7.9111 104.6743 46.7944 0.0000 173.0373 15 V 4.5513 7.7007 110.3101 58.6793 36.0972 176.1464 16 S 4.4152 8.2229 115.0274 58.2213 63.2803 174.7241 17 Y 4.1591 8.5299 121.7819 59.7786 39.0372 177.5188 18 Q 3.4061 7.8000 119.8573 58.8838 29.1823 177.3043 19 T 3.7909 7.4587 117.1292 66.5003 68.4817 176.7353 20 V 3.5554 7.5714 120.3383 64.9606 31.4308 178.3938 21 S 3.9983 7.2631 115.8509 61.1843 62.6438 176.6403 22 R 3.8670 8.4425 121.0651 59.6161 29.8119 179.2873 23 V 3.5985 8.0815 117.9997 65.8604 31.2942 178.3114 24 V 3.6839 7.6224 117.3359 65.3520 31.4569 176.7908 25 N 4.6217 8.0411 113.6131 52.0662 39.2092 174.6327 26 Q 3.3891 7.9468 118.3469 56.5687 26.9731 173.9322 27 A 4.2005 7.8786 119.1493 52.1734 19.1282 178.7995 28 S 4.3853 8.3439 113.6538 60.4961 63.7507 174.0992 29 H 4.8019 7.8608 118.1184 56.1343 28.8825 175.2271 30 V 4.4027 7.4652 117.7018 60.4519 34.5925 175.5338 31 S 4.4492 8.1386 122.5775 57.6432 64.7953 175.2433 32 A 3.9747 8.4749 125.5997 55.5188 18.1845 180.0234 33 K 3.9658 8.1119 116.3797 60.1380 32.3154 179.1909 34 T 3.9085 7.9763 109.1515 65.0932 68.4945 176.0218 35 R 3.8865 8.0053 121.2537 59.2774 30.1864 178.4216 36 E 4.0548 8.5561 118.7192 58.8658 29.3939 179.2789 37 K 3.9367 8.6049 120.3191 59.6394 31.8911 179.1671 38 V 3.6649 7.7234 118.2247 65.9760 31.1977 177.8607 39 E 4.0652 8.0179 117.0768 58.9504 29.5613 178.9097 40 A 4.1418 8.1931 120.9072 55.1527 18.4964 179.4116 41 A 4.3523 8.2360 119.2323 55.7124 18.4725 179.6404 42 M 4.1455 7.8796 116.0105 57.6967 31.9927 178.5989 43 A 4.0938 8.3636 121.7172 54.7317 19.0186 179.1540 44 E 3.8576 8.0490 114.9742 59.7937 29.7357 179.5005 45 L 3.8049 7.7370 117.0793 55.1105 42.0439 176.4736 46 N 4.1034 7.8468 115.5039 53.9381 37.5708 173.8364 47 Y 4.3144 7.8446 117.6338 58.2583 39.1851 175.6444 48 I 4.2012 8.1517 127.1318 58.7320 38.8777 172.3605 49 P 4.0334 0.0000 0.0000 61.5781 31.6068 177.1250 50 N 4.6703 8.9450 122.3883 52.8700 36.8065 174.7414 51 R 3.7317 8.4524 121.8970 59.1655 28.9122 178.3980 52 C 4.1668 8.2655 117.0367 62.8351 28.3485 175.8081 53 A 4.0677 8.1075 121.7494 55.1332 18.0160 179.3997 54 Q 4.0513 8.9348 117.2684 59.2153 28.6884 179.2779 55 Q 3.8555 7.8838 119.0193 58.8794 28.6032 178.2152 56 L 3.9213 7.4015 119.5020 58.2123 42.1952 178.2921 57 A 4.4413 8.5430 117.8283 52.8566 18.7180 179.1931 58 G 4.6389 7.1801 114.3625 45.7738 0.0000 173.4523 59 K 4.6055 7.6030 116.4991 54.3089 36.9192 176.7392 60 Q 4.5042 8.5177 115.8538 56.8333 28.1726 176.2102 61 S 4.4710 7.2447 112.1570 58.6819 66.9863 173.8026 62 L 4.0244 7.5374 126.4788 55.7742 41.6282 174.7749 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 4.42 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 2 K 8.80 3.92 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.59 7.81 3 P 0.00 4.47 0.00 2.13 1.99 0.00 3.75 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 2.04 2.08 0.00 4 V 8.25 3.94 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.02 0.00 0.00 5 T 8.39 4.93 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 1.32 0.00 0.00 6 L 8.48 3.25 0.00 1.72 1.69 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.73 4.02 0.00 3.06 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 8 D 8.21 4.43 0.00 2.79 2.69 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 0.00 0.00 0.00 0.00 9 V 7.40 3.52 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 0.97 0.00 0.00 0.37 0.00 0.00 10 A 8.03 3.95 1.39 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 11 E 8.10 3.90 0.00 2.20 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 0.00 2.36 2.43 0.00 12 Y 8.01 3.93 0.00 3.13 3.01 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 13 A 8.16 4.16 1.47 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 0.00 0.00 14 G 7.91 3.62 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 0.00 0.00 0.00 15 V 7.70 4.55 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 0.84 0.00 0.00 0.96 0.00 0.00 16 S 8.22 4.42 0.00 4.03 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 17 Y 8.53 4.16 0.00 2.97 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 18 Q 7.80 3.41 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 19 T 7.46 3.79 4.38 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 1.19 0.00 0.00 20 V 7.57 3.56 2.01 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 0.70 0.00 0.00 0.90 0.00 0.00 21 S 7.26 4.00 0.00 3.60 3.82 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 22 R 8.44 3.87 0.00 1.91 1.97 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 23 V 8.08 3.60 2.21 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 1.03 0.00 0.00 1.05 0.00 0.00 24 V 7.62 3.68 2.26 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 0.92 0.00 0.00 1.06 0.00 0.00 25 N 8.04 4.62 0.00 2.79 2.81 0.00 0.00 7.38 7.29 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 26 Q 7.95 3.39 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 27 A 7.88 4.20 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 28 S 8.34 4.39 0.00 3.98 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 29 H 7.86 4.80 0.00 3.13 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.47 4.40 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 0.79 0.00 0.00 0.98 0.00 0.00 31 S 8.14 4.45 0.00 3.83 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 32 A 8.47 3.97 1.32 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 0.00 0.00 0.00 33 K 8.11 3.97 0.00 1.81 1.89 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.52 7.81 34 T 7.98 3.91 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 1.20 0.00 0.00 35 R 8.01 3.89 0.00 1.92 2.15 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 36 E 8.56 4.05 0.00 2.16 1.99 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 2.33 2.53 0.00 37 K 8.60 3.94 0.00 1.89 1.98 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 38 V 7.72 3.66 2.09 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 1.07 0.00 0.00 1.02 0.00 0.00 39 E 8.02 4.07 0.00 2.11 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 0.00 2.37 2.51 0.00 40 A 8.19 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 4.35 1.53 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 0.00 0.00 42 M 7.88 4.15 0.00 2.22 2.44 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.84 0.00 43 A 8.36 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 3.86 0.00 1.64 1.91 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 2.37 2.64 0.00 45 L 7.74 3.80 0.00 1.67 1.66 0.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.85 4.10 0.00 2.84 2.87 0.00 0.00 7.12 7.27 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 47 Y 7.84 4.31 0.00 2.86 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 48 I 8.15 4.20 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.05 0.86 0.00 0.00 49 P 0.00 4.03 0.00 1.92 2.13 0.00 3.33 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 50 N 8.95 4.67 0.00 2.83 2.83 0.00 0.00 6.99 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 51 R 8.45 3.73 0.00 2.04 2.21 0.00 3.18 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 52 C 8.27 4.17 0.00 3.28 3.02 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 0.00 0.00 0.00 0.00 53 A 8.11 4.07 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 54 Q 8.93 4.05 0.00 2.21 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 55 Q 7.88 3.86 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 56 L 7.40 3.92 0.00 1.88 1.77 0.93 1.03 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 57 A 8.54 4.44 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 58 G 7.18 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.60 4.61 0.00 1.73 1.67 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 60 Q 8.52 4.50 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 61 S 7.24 4.47 0.00 3.84 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 62 L 7.54 4.02 0.00 1.54 1.45 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00