NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3652 8.1200 121.1844 56.3416 33.6969 176.7266 3 L 3.8944 7.2291 120.7160 56.8600 41.7547 176.4596 4 S 4.2787 8.5981 116.6191 60.6224 63.2254 175.3404 5 E 4.1240 8.2005 121.3154 59.0600 29.3255 178.5775 6 V 3.5576 7.9122 117.8561 66.3765 31.6008 178.5870 7 R 3.9577 7.5588 114.3417 59.1619 29.1278 178.8746 8 K 4.2865 9.5258 120.6842 59.0487 32.1123 178.9715 9 Q 3.9526 8.0784 117.8922 59.4209 28.6239 179.9408 10 L 4.0043 7.7563 119.5047 57.7172 41.4216 179.3893 11 E 3.9525 8.3956 119.0049 59.2947 29.3504 178.8459 12 E 4.0193 8.1770 117.5788 59.9956 29.6635 178.7432 13 A 4.0135 8.3804 120.3585 55.6008 18.1495 180.1351 14 R 3.8435 7.9715 116.6612 57.6589 31.6119 177.2983 15 K 4.6914 7.5415 116.6448 55.4863 32.3459 176.2711 16 L 4.6554 7.8371 118.2326 55.7422 43.0004 176.9060 17 S 3.3704 8.1553 112.4878 57.7375 62.3197 168.7666 18 P 4.3317 0.0000 0.0000 64.5576 32.0819 178.4599 19 V 3.5159 8.0749 117.1430 65.7438 31.7206 178.1926 20 E 3.8374 8.0161 118.2927 59.6430 29.3680 178.8614 21 L 3.9754 8.1034 119.1427 57.3011 41.7264 178.7888 22 E 3.9368 8.1322 117.7894 60.6100 29.6678 178.9532 23 K 3.6678 8.3330 116.1841 59.9336 31.5653 178.1059 24 L 3.9418 8.1934 123.2045 57.9779 41.6874 179.7748 25 V 3.7381 7.8914 118.1776 66.0327 31.7932 177.9152 26 R 4.5260 8.2792 118.0605 59.2538 29.7801 179.0786 27 E 3.9253 8.0958 118.1467 59.3217 29.5065 179.1899 28 K 4.6856 7.4651 119.0804 59.0891 32.1794 179.4133 29 K 3.9232 9.3802 118.7958 59.8210 31.9329 178.8579 30 R 3.8449 8.7166 119.4280 59.4130 29.9870 178.1910 31 E 3.6767 8.9203 117.3126 59.3556 29.6382 179.3911 32 L 3.8513 8.3493 120.0216 58.8233 42.3198 178.8601 33 M 4.0226 8.0133 117.7078 59.0842 32.1636 177.3481 34 E 3.4688 8.6605 118.7259 59.5345 29.8100 178.7641 35 L 3.8669 8.7945 118.6586 58.3255 41.7545 179.7460 36 R 3.9693 8.7757 117.6112 59.7038 30.1770 178.9183 37 F 4.7463 8.5591 118.3809 60.3172 38.8718 177.7016 38 Q 4.2057 8.0948 115.0535 57.7890 28.5649 178.0840 39 A 4.6415 8.2628 123.9829 53.5599 19.6380 179.1657 40 S 3.7283 8.8845 113.3559 61.3840 62.8826 176.4600 41 I 3.9887 7.8640 112.3006 60.3604 38.6893 178.1529 42 G 3.4336 8.5001 111.6475 47.2854 0.0000 174.6069 43 Q 3.0320 8.4720 115.7622 55.4941 27.8209 173.9566 44 L 4.9145 6.7082 128.5832 54.5476 43.9159 172.4479 45 S 4.5920 7.0907 113.9142 57.3268 66.0004 172.8657 46 Q 4.4174 8.5311 124.5842 55.2241 32.3292 176.8493 47 N 3.4382 9.3132 115.5540 52.7342 38.6803 178.4768 48 H 3.8864 9.1641 122.9976 58.5511 31.0844 175.9383 49 K 3.7730 6.9021 119.0033 59.3572 31.8736 178.7000 50 I 3.7752 8.2127 120.3495 64.1961 36.9618 178.4890 51 R 4.0578 7.2468 112.3852 58.1340 29.3888 176.6554 52 D 4.6176 8.5545 118.8525 54.3168 42.3820 178.5936 53 L 3.8043 7.7031 121.8280 58.2596 42.1413 179.3852 54 K 3.9477 7.9896 116.6672 60.0147 32.2707 178.7866 55 R 4.0813 8.5755 118.2000 59.6017 30.0197 178.5898 56 Q 3.9874 8.4248 117.4688 59.1102 28.8067 179.6844 57 I 3.5229 8.5882 120.3237 64.1096 37.1902 177.6747 58 A 4.0488 7.9048 121.9160 54.9454 18.0821 179.5465 59 R 3.9359 7.6216 116.5303 58.9979 30.5323 178.7531 60 L 4.0744 7.9381 117.7805 57.9643 41.7130 179.1813 61 L 3.9783 7.6498 117.6668 58.4718 41.4331 179.8100 62 T 4.0182 8.3455 115.8427 66.3778 68.4265 176.2693 63 V 4.5045 8.2363 121.1924 64.1280 31.7186 177.5952 64 L 3.9394 7.6637 118.8170 58.3628 42.1695 178.3155 65 N 4.4859 8.6361 116.8616 56.2240 38.6287 176.9314 66 E 3.8832 7.7881 117.6771 59.8210 29.1889 179.4030 67 K 4.1501 7.8208 117.0673 58.3913 32.2115 179.1854 68 R 4.1947 8.5331 118.6438 57.2044 31.1728 177.1329 69 R 4.5314 7.9621 115.9779 51.8690 28.3852 175.9496 70 Q 5.8924 7.1525 132.9054 57.9358 29.1103 174.5067 71 N 4.8883 7.8387 112.9754 52.6889 40.9930 174.0819 72 A 4.2973 7.9844 126.1227 52.1726 19.2488 176.8657 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 2 K 8.12 4.37 0.00 1.85 1.87 0.00 1.64 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 3 L 7.23 3.89 0.00 1.83 1.54 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.60 4.28 0.00 3.90 3.87 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 0.00 0.00 0.00 0.00 5 E 8.20 4.12 0.00 2.25 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 2.40 2.36 0.00 6 V 7.91 3.56 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 7 R 7.56 3.96 0.00 1.95 2.07 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 8 K 9.53 4.29 0.00 2.07 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.50 7.81 9 Q 8.08 3.95 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 10 L 7.76 4.00 0.00 1.77 1.72 0.92 1.08 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 11 E 8.40 3.95 0.00 2.11 1.98 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 2.33 2.61 0.00 12 E 8.18 4.02 0.00 1.97 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 0.00 2.40 2.34 0.00 13 A 8.38 4.01 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 14 R 7.97 3.84 0.00 1.97 2.01 0.00 3.27 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 15 K 7.54 4.69 0.00 1.77 1.80 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.50 7.81 16 L 7.84 4.66 0.00 1.80 1.62 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.16 3.37 0.00 3.93 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 18 P 0.00 4.33 0.00 2.26 2.15 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 19 V 8.07 3.52 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 1.02 0.00 0.00 0.93 0.00 0.00 20 E 8.02 3.84 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 21 L 8.10 3.98 0.00 1.98 1.66 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.13 3.94 0.00 2.11 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 0.00 2.41 2.44 0.00 23 K 8.33 3.67 0.00 2.02 1.74 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 24 L 8.19 3.94 0.00 1.93 1.81 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.89 3.74 2.27 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 0.99 0.00 0.00 0.99 0.00 0.00 26 R 8.28 4.53 0.00 1.85 1.98 0.00 3.17 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 27 E 8.10 3.93 0.00 2.04 1.98 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 2.31 2.34 0.00 28 K 7.47 4.69 0.00 1.99 1.87 0.00 1.82 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.47 7.81 29 K 9.38 3.92 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 30 R 8.72 3.84 0.00 1.81 2.06 0.00 3.10 0.00 0.00 3.12 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 31 E 8.92 3.68 0.00 2.19 1.93 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 2.32 2.57 0.00 32 L 8.35 3.85 0.00 1.90 1.86 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.01 4.02 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.79 0.00 34 E 8.66 3.47 0.00 1.95 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 2.27 2.41 0.00 35 L 8.79 3.87 0.00 1.82 1.75 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.78 3.97 0.00 2.17 2.10 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 37 F 8.56 4.75 0.00 3.28 3.16 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 0.00 38 Q 8.09 4.21 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 39 A 8.26 4.64 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 40 S 8.88 3.73 0.00 3.79 4.10 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 0.00 0.00 0.00 41 I 7.86 3.99 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.96 0.00 0.00 42 G 8.50 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.47 3.03 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.84 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 44 L 6.71 4.91 0.00 1.76 1.75 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.09 4.59 0.00 4.13 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 46 Q 8.53 4.42 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.13 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 47 N 9.31 3.44 0.00 2.83 2.41 0.00 0.00 6.86 8.16 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 48 H 9.16 3.89 0.00 3.40 3.62 0.00 5.50 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 6.90 3.77 0.00 2.00 1.86 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.60 7.81 50 I 8.21 3.78 1.87 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 1.58 0.51 0.92 0.00 0.00 51 R 7.25 4.06 0.00 2.04 2.06 0.00 3.05 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 52 D 8.55 4.62 0.00 2.91 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 53 L 7.70 3.80 0.00 1.85 1.71 0.96 0.87 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 54 K 7.99 3.95 0.00 1.90 1.91 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.53 7.81 55 R 8.58 4.08 0.00 1.95 1.98 0.00 3.27 0.00 0.00 3.17 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 56 Q 8.42 3.99 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.77 2.46 0.00 57 I 8.59 3.52 2.15 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 1.46 1.10 0.94 0.00 0.00 58 A 7.90 4.05 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 59 R 7.62 3.94 0.00 1.95 2.05 0.00 3.14 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 60 L 7.94 4.07 0.00 1.84 1.70 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.65 3.98 0.00 1.94 1.74 1.00 0.73 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 62 T 8.35 4.02 4.42 0.00 0.00 0.00 0.00 0.00 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 63 V 8.24 4.50 2.32 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 1.38 0.00 0.00 1.01 0.00 0.00 64 L 7.66 3.94 0.00 1.67 1.81 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.64 4.49 0.00 2.85 2.85 0.00 0.00 6.82 7.65 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 66 E 7.79 3.88 0.00 2.23 2.34 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 2.51 2.37 0.00 67 K 7.82 4.15 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.47 7.81 68 R 8.53 4.19 0.00 1.93 1.99 0.00 3.28 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 69 R 7.96 4.53 0.00 1.92 1.93 0.00 3.21 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 70 Q 7.15 5.89 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 71 N 7.84 4.89 0.00 2.67 2.82 0.00 0.00 6.91 7.35 0.00 0.00 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 A 7.98 4.30 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