NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2577 8.3049 120.3489 53.5372 34.3133 172.3128 2 E 3.4650 8.2739 123.8760 55.0719 29.6431 173.4065 3 L 3.9606 9.3265 127.2756 58.3444 43.1407 178.7043 4 S 4.1381 8.0532 114.6323 61.6324 62.9108 176.0369 5 N 4.3180 8.0939 119.1829 56.8102 38.7829 176.6649 6 E 4.0132 8.0586 119.8971 59.0670 29.4972 179.0145 7 L 3.9577 7.9766 120.5463 58.1848 42.1106 179.2853 8 K 3.9965 7.9100 118.0387 59.2710 31.9184 179.4937 9 V 3.5815 7.6673 118.0992 66.1725 31.3889 177.9930 10 E 4.0000 8.2241 118.2745 59.2650 29.2538 179.3115 11 R 3.8779 7.9627 118.7643 59.5250 29.9479 178.7215 12 I 3.7287 7.8966 118.7168 64.4447 37.1832 178.3151 13 R 4.0734 8.1865 118.2059 59.0716 30.0477 178.4702 14 L 4.2229 8.2500 116.4630 54.2631 42.6405 176.7142 15 S 3.7083 7.8869 113.8005 58.8345 62.4808 172.1638 16 L 4.3197 7.6438 118.8863 56.4745 41.8643 176.5114 17 T 4.5538 8.0604 109.8787 60.0956 71.5538 175.6208 18 A 4.0832 8.5286 125.9425 54.6926 18.3974 179.9950 19 K 3.8904 7.9815 117.1689 59.7731 32.1326 179.2161 20 S 4.1025 7.6378 113.0456 61.1748 62.2406 176.2787 21 V 3.5460 7.6485 120.4841 66.0442 31.2983 177.9294 22 A 3.8336 8.3830 120.9088 55.0916 17.9511 179.5223 23 E 3.9172 7.7927 116.0067 59.6688 29.6475 179.1599 24 E 4.1396 8.1911 117.5595 59.6068 29.6381 178.9635 25 M 4.2674 8.5536 118.8716 56.5815 32.0621 177.6454 26 G 3.8810 8.7150 106.1885 45.8051 0.0000 172.6204 27 I 4.6328 7.2907 110.7352 57.5903 40.9527 175.3012 28 S 4.2973 8.5170 114.7628 58.2005 64.2091 175.2088 29 R 3.9575 8.4901 126.1243 59.2794 29.9240 179.0608 30 Q 3.9842 8.0596 119.0000 59.4457 29.0973 178.3779 31 Q 4.0387 8.0354 118.4939 58.6471 28.6276 178.2120 32 L 3.9687 7.6751 121.1906 58.4656 42.1889 178.8832 33 C 4.5686 7.9188 117.4696 62.3574 27.8101 175.6595 34 N 4.3960 7.7892 117.3262 56.3792 38.8950 176.7610 35 I 3.8790 7.7848 121.8512 64.2948 37.0528 178.1973 36 E 3.9938 7.9145 116.4669 59.1249 29.8216 178.0644 37 Q 4.5294 7.9488 116.8585 55.6866 28.6859 177.7254 38 S 4.4969 7.6601 112.9228 58.3240 62.2334 176.1218 39 E 3.6861 8.7789 120.3227 57.8965 29.2664 175.4356 40 T 4.6383 7.8130 113.7817 60.1211 71.7226 173.0146 41 A 4.3303 8.2645 126.8358 50.7073 19.5879 175.7400 42 P 4.5638 0.0000 0.0000 62.2367 32.4283 178.0641 43 V 3.7570 8.3034 112.2774 63.9972 31.2878 178.8930 44 V 3.6420 7.7957 118.2534 65.9809 31.4431 177.8788 45 V 3.6841 7.7556 117.4969 66.0628 31.3794 178.1515 46 K 4.0306 8.0842 117.7467 59.5916 31.9460 178.4466 47 Y 4.0111 8.7133 120.1783 60.7830 38.6564 178.3089 48 I 3.8159 8.1732 120.4916 64.4270 37.2375 178.2192 49 A 4.0382 8.0418 121.5010 54.9459 17.8998 179.4503 50 F 3.9734 7.8300 118.4156 61.5634 39.7858 177.1237 51 L 3.9532 7.5698 118.1367 57.6349 41.3317 179.4879 52 R 3.8242 8.3534 119.1854 59.4143 29.8343 178.4292 53 S 4.0893 8.2765 111.9652 60.6059 62.2762 175.2231 54 K 4.3040 7.4440 119.3964 55.8625 31.8933 177.0870 55 G 3.8160 8.3477 107.5626 45.7538 0.0000 174.1844 56 V 3.7025 7.4862 118.8788 62.3313 32.5566 177.4762 57 D 4.7671 8.4939 127.4546 54.6614 36.5754 176.8285 58 L 4.0272 7.7242 125.0645 57.9787 42.6989 177.5428 59 N 4.2990 8.1589 116.3751 56.1141 37.1784 176.8886 60 A 4.0172 7.9913 122.6718 54.5121 18.1075 179.1801 61 L 3.9520 7.9538 118.9651 58.5806 42.2174 179.3746 62 F 4.0432 8.7395 117.7540 60.3054 38.5704 177.1884 63 D 4.4039 8.3445 117.5919 57.5220 41.0840 178.2858 64 R 4.0794 7.8812 117.5645 59.1899 30.0893 178.7879 65 I 3.7766 7.1959 117.9117 63.2574 37.5526 177.0586 66 I 3.9037 6.9811 112.2296 59.9068 38.1546 176.2348 67 V 3.5987 8.2059 122.4025 62.5936 31.1907 174.3185 68 N 4.1254 8.6574 114.0144 54.3587 36.7732 174.3587 69 K 4.1298 7.9645 114.8818 56.0582 33.0575 177.3277 70 L 4.1238 8.2450 121.0535 55.1222 42.4084 177.4711 71 E 4.4842 8.1556 122.2796 55.4198 31.7366 174.3914 72 H 4.4793 7.9213 118.1819 56.7008 29.0393 174.6935 73 H 4.3893 8.8059 123.2577 56.0410 30.0998 175.5019 74 H 4.2859 8.1740 113.3767 57.2176 26.0363 173.6281 75 H 4.8999 7.2851 116.2028 53.8392 30.5410 172.9599 76 H 4.1133 8.4263 122.2663 56.0144 28.6873 175.1618 77 H 4.2529 8.1682 122.4668 56.9501 27.6949 174.9540 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 4.26 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 E 8.27 3.46 0.00 2.30 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 2.30 2.36 0.00 3 L 9.33 3.96 0.00 1.76 1.67 0.92 0.99 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 4 S 8.05 4.14 0.00 3.91 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.09 4.32 0.00 2.75 3.18 0.00 0.00 7.21 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 6 E 8.06 4.01 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 2.46 0.00 7 L 7.98 3.96 0.00 1.89 1.76 0.93 0.35 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 8 K 7.91 4.00 0.00 1.96 1.84 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 9 V 7.67 3.58 2.24 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 1.06 0.00 0.00 0.99 0.00 0.00 10 E 8.22 4.00 0.00 2.16 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 2.44 2.46 0.00 11 R 7.96 3.88 0.00 2.00 2.09 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 12 I 7.90 3.73 2.02 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 1.52 0.79 0.91 0.00 0.00 13 R 8.19 4.07 0.00 1.88 1.99 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 14 L 8.25 4.22 0.00 1.66 1.71 0.92 1.02 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 15 S 7.89 3.71 0.00 4.05 3.93 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 0.00 0.00 0.00 16 L 7.64 4.32 0.00 1.76 1.71 0.93 0.68 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 17 T 8.06 4.55 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 18 A 8.53 4.08 1.34 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 0.00 0.00 19 K 7.98 3.89 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 20 S 7.64 4.10 0.00 3.87 3.85 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 21 V 7.65 3.55 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 0.96 0.00 0.00 1.01 0.00 0.00 22 A 8.38 3.83 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 23 E 7.79 3.92 0.00 2.12 2.03 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 2.44 2.49 0.00 24 E 8.19 4.14 0.00 2.02 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 2.35 2.42 0.00 25 M 8.55 4.27 0.00 1.94 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.81 0.00 26 G 8.72 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.29 4.63 2.01 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 1.30 0.78 0.91 0.00 0.00 28 S 8.52 4.30 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 3.96 0.00 1.89 1.96 0.00 3.19 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 30 Q 8.06 3.98 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 31 Q 8.04 4.04 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 32 L 7.68 3.97 0.00 1.74 1.81 0.93 1.36 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 33 C 7.92 4.57 0.00 3.22 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 34 N 7.79 4.40 0.00 2.73 2.98 0.00 0.00 7.27 8.44 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 35 I 7.78 3.88 2.05 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 1.59 1.20 0.92 0.00 0.00 36 E 7.91 3.99 0.00 2.20 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 0.00 2.46 2.35 0.00 37 Q 7.95 4.53 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 7.19 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 38 S 7.66 4.50 0.00 4.02 4.12 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 0.00 0.00 0.00 0.00 39 E 8.78 3.69 0.00 2.03 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 2.26 2.22 0.00 40 T 7.81 4.64 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 1.22 0.00 0.00 41 A 8.26 4.33 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 42 P 0.00 4.56 0.00 2.25 2.20 0.00 3.74 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 2.10 2.01 0.00 43 V 8.30 3.76 2.11 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 0.76 0.00 0.00 0.93 0.00 0.00 44 V 7.80 3.64 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 1.05 0.00 0.00 0.92 0.00 0.00 45 V 7.76 3.68 2.24 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 1.00 0.00 0.00 0.99 0.00 0.00 46 K 8.08 4.03 0.00 2.04 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.53 7.81 47 Y 8.71 4.01 0.00 3.14 3.21 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 0.00 48 I 8.17 3.82 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.87 0.95 0.00 0.00 49 A 8.04 4.04 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.83 3.97 0.00 2.82 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 51 L 7.57 3.95 0.00 1.76 1.67 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.35 3.82 0.00 1.86 2.00 0.00 3.03 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 53 S 8.28 4.09 0.00 3.88 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.44 4.30 0.00 1.80 1.69 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.15 1.22 7.81 55 G 8.35 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 0.00 0.00 0.00 56 V 7.49 3.70 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 0.85 0.00 0.00 0.90 0.00 0.00 57 D 8.49 4.77 0.00 2.75 2.64 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 58 L 7.72 4.03 0.00 1.73 1.59 1.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.16 4.30 0.00 3.03 3.04 0.00 0.00 6.11 7.78 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 60 A 7.99 4.02 1.42 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 0.00 0.00 0.00 61 L 7.95 3.95 0.00 1.90 2.09 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.74 4.04 0.00 3.12 3.17 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 0.00 0.00 0.00 63 D 8.34 4.40 0.00 2.80 2.88 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 0.00 0.00 0.00 64 R 7.88 4.08 0.00 2.01 1.98 0.00 3.39 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 65 I 7.20 3.78 1.86 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.50 0.78 0.00 0.00 66 I 6.98 3.90 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 1.62 0.58 0.98 0.00 0.00 67 V 8.21 3.60 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 0.66 0.00 0.00 0.93 0.00 0.00 68 N 8.66 4.13 0.00 2.86 2.90 0.00 0.00 6.90 6.68 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 69 K 7.96 4.13 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.53 7.81 70 L 8.25 4.12 0.00 1.63 1.58 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.16 4.48 0.00 1.85 1.67 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 0.00 2.15 2.25 0.00 72 H 7.92 4.48 0.00 3.21 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.81 4.39 0.00 3.16 3.26 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.17 4.29 0.00 3.21 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.29 4.90 0.00 3.12 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.43 4.11 0.00 3.04 2.76 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.17 4.25 0.00 3.22 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00