NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0557 8.0549 120.3070 61.4167 32.7419 174.4709 3 I 3.7222 8.1292 123.3810 59.2947 38.3551 170.6550 4 V 4.0610 8.5443 126.5615 60.8804 31.8091 173.7677 5 Y 4.2387 8.1177 124.6271 59.2093 38.2132 177.3825 6 G 3.9808 9.3047 112.9519 45.6117 0.0000 174.0264 7 D 4.6205 7.6103 120.9808 52.4650 39.6775 175.4256 8 Y 3.9401 8.2992 124.5137 60.3252 39.0946 176.8335 9 N 4.4909 8.5010 113.3313 51.9188 37.6882 174.3180 10 N 4.2439 7.7062 114.7815 54.9073 36.5741 174.3512 11 D 4.6463 8.6782 114.4002 52.9095 40.2328 176.7953 12 G 4.0096 8.9912 109.8866 45.4573 0.0000 173.6993 13 N 4.8180 7.9746 115.9001 51.6693 40.2814 174.7753 14 V 4.5743 8.1754 119.7620 61.4720 33.4402 174.0783 15 D 4.7269 9.0372 127.2083 51.3840 42.2056 175.6834 16 S 4.2558 8.8247 112.8823 62.2966 62.5240 176.3642 17 T 3.9188 8.0513 119.0014 66.7357 68.1415 176.2368 18 D 4.4522 8.3077 120.5014 57.1419 40.8045 178.6149 19 F 4.0868 8.2620 120.5521 61.2745 39.2304 176.8415 20 A 3.8813 8.1875 120.5412 54.9829 18.0744 179.9370 21 G 2.8889 7.7451 104.1775 47.6057 0.0000 175.7926 22 L 3.5599 7.1227 123.0691 57.2640 41.6423 179.0024 23 K 3.6428 7.3954 118.4974 59.5683 31.7991 179.3974 24 K 3.9350 7.2568 116.7579 59.4039 32.1915 178.6083 25 Y 4.3211 8.1194 120.0040 60.8934 38.5809 178.0597 26 I 3.2853 7.6835 119.5363 64.6191 37.2620 178.0564 27 M 4.3010 7.5405 117.4338 56.2139 32.0230 176.4113 28 A 4.0878 7.5342 123.4524 51.3288 18.5547 178.2178 29 A 4.0280 8.6866 127.0192 54.8982 18.6508 177.4966 30 D 4.8096 7.7717 113.9617 53.1272 39.8199 176.1576 31 H 3.9274 7.6604 115.4952 55.9556 28.7999 175.0963 32 A 4.4097 8.0589 125.8784 51.1938 19.4614 176.6552 33 Y 4.2265 8.4721 121.1500 57.6795 39.6488 175.8705 34 V 4.1471 7.1894 125.1519 60.6202 34.6028 175.5101 35 K 3.7906 8.7224 128.9217 59.5588 32.3590 177.8267 36 N 4.2675 7.9332 113.9816 53.9977 37.4784 175.7172 37 L 4.6481 7.5334 118.0735 55.2084 43.3363 176.8209 38 D 4.8878 7.5970 120.6611 53.0222 39.2837 176.9887 39 V 3.7681 8.5746 116.3343 63.0831 32.2738 177.7135 40 N 4.7411 8.3722 114.9503 51.6427 37.6061 174.4682 41 L 3.8512 7.6855 117.1731 56.6842 39.5855 174.6331 42 D 4.7842 8.6696 113.8791 52.8782 39.7769 175.9026 43 N 4.2644 8.8159 114.6005 54.3054 36.4907 173.7058 44 E 4.9113 8.4972 115.6862 54.6166 33.4009 175.4418 45 V 4.6059 8.4816 121.0853 61.5652 33.0621 174.2337 46 N 4.7568 9.1816 125.1936 51.0932 39.8168 174.3611 47 A 3.9510 8.5478 118.2938 55.8960 18.1784 179.8741 48 F 4.4090 7.8194 116.2212 60.9521 38.9396 177.5905 49 D 4.4579 8.2598 118.2768 57.2290 40.6394 178.4569 50 L 4.0244 8.0193 120.2016 58.2057 42.0561 178.8059 51 A 4.1312 8.3628 120.7638 55.1906 18.3146 179.7190 52 I 3.7090 7.8690 118.2821 64.3790 37.1109 178.2972 53 L 4.0446 8.1818 121.2590 58.1760 41.9223 179.0094 54 K 3.7466 8.3796 119.4714 59.3706 32.0408 178.7811 55 K 3.9262 8.3243 118.9632 59.6855 31.9861 178.6685 56 Y 4.2334 8.2841 119.6602 60.8470 38.5760 178.0428 57 L 3.9402 8.1280 118.8403 57.4352 41.7789 178.7788 58 L 4.2294 7.8788 116.8782 54.7779 41.7724 177.7646 59 G 3.8103 7.5197 106.9245 46.2621 0.0000 174.6807 60 M 4.2534 8.1592 121.0800 56.5342 32.3926 177.1880 61 V 4.5930 7.3980 110.1063 59.5007 35.2693 175.8532 62 S 4.4378 8.7348 118.6444 60.2064 63.2881 174.8356 63 K 4.6327 7.7583 118.0394 54.2767 35.2167 176.3396 64 L 4.1954 8.1673 123.3019 54.3345 40.5561 176.8844 65 E 4.5811 8.1506 120.0899 57.2110 29.0282 175.4087 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 V 8.05 4.06 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 0.90 0.00 0.00 0.94 0.00 0.00 3 I 8.13 3.72 1.51 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.11 -0.11 0.00 0.00 4 V 8.54 4.06 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 1.02 0.00 0.00 0.89 0.00 0.00 5 Y 8.12 4.24 0.00 2.97 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 6 G 9.30 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 0.00 0.00 0.00 7 D 7.61 4.62 0.00 2.82 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 8 Y 8.30 3.94 0.00 2.87 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.49 0.00 2.89 3.02 0.00 0.00 7.19 7.70 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 10 N 7.71 4.24 0.00 2.81 2.84 0.00 0.00 6.81 7.70 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 11 D 8.68 4.65 0.00 2.77 2.75 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 12 G 8.99 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 0.00 0.00 0.00 13 N 7.97 4.82 0.00 2.90 2.78 0.00 0.00 6.68 7.30 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 14 V 8.18 4.57 2.25 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 1.00 0.00 0.00 1.04 0.00 0.00 15 D 9.04 4.73 0.00 2.94 2.79 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 16 S 8.82 4.26 0.00 4.12 4.19 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 0.00 0.00 0.00 0.00 17 T 8.05 3.92 4.41 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 1.26 0.00 0.00 18 D 8.31 4.45 0.00 2.96 2.93 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 19 F 8.26 4.09 0.00 3.12 3.24 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 0.00 20 A 8.19 3.88 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 21 G 7.75 2.89 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 0.00 0.00 0.00 22 L 7.12 3.56 0.00 1.58 1.45 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.40 3.64 0.00 1.72 1.61 0.00 0.98 0.00 0.00 1.10 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.01 0.66 7.81 24 K 7.26 3.94 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.54 7.81 25 Y 8.12 4.32 0.00 3.26 3.13 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 0.00 0.00 0.00 0.00 26 I 7.68 3.29 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.83 0.00 0.00 27 M 7.54 4.30 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.50 0.00 28 A 7.53 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.03 1.26 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 0.00 0.00 30 D 7.77 4.81 0.00 2.76 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 31 H 7.66 3.93 0.00 1.45 2.81 0.00 5.55 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.06 4.41 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 33 Y 8.47 4.23 0.00 2.99 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 34 V 7.19 4.15 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 0.82 0.00 0.00 0.91 0.00 0.00 35 K 8.72 3.79 0.00 1.90 1.75 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.62 7.81 36 N 7.93 4.27 0.00 2.72 2.75 0.00 0.00 6.12 6.67 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 37 L 7.53 4.65 0.00 1.74 1.78 0.83 1.12 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 38 D 7.60 4.89 0.00 2.77 2.67 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 0.00 0.00 0.00 39 V 8.57 3.77 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 0.84 0.00 0.00 1.04 0.00 0.00 40 N 8.37 4.74 0.00 2.79 2.92 0.00 0.00 6.08 7.79 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 41 L 7.69 3.85 0.00 1.82 1.82 0.88 1.36 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 42 D 8.67 4.78 0.00 2.80 2.76 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 43 N 8.82 4.26 0.00 2.89 2.80 0.00 0.00 6.64 6.97 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 44 E 8.50 4.91 0.00 2.19 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 2.49 2.46 0.00 45 V 8.48 4.61 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 1.02 0.00 0.00 0.90 0.00 0.00 46 N 9.18 4.76 0.00 2.85 2.92 0.00 0.00 6.45 7.59 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 47 A 8.55 3.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 4.41 0.00 3.26 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 49 D 8.26 4.46 0.00 2.94 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 50 L 8.02 4.02 0.00 1.74 1.87 0.58 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.36 4.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.71 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.94 0.00 0.00 53 L 8.18 4.04 0.00 1.86 2.00 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.38 3.75 0.00 2.01 1.94 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 1.36 7.81 55 K 8.32 3.93 0.00 2.07 1.90 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.67 7.81 56 Y 8.28 4.23 0.00 3.13 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 57 L 8.13 3.94 0.00 1.54 1.65 1.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.88 4.23 0.00 1.76 1.66 0.85 0.73 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 59 G 7.52 3.81 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 0.00 0.00 0.00 60 M 8.16 4.25 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 61 V 7.40 4.59 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.13 0.00 0.00 62 S 8.73 4.44 0.00 3.90 3.97 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 63 K 7.76 4.63 0.00 1.69 1.64 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.46 7.81 64 L 8.17 4.20 0.00 1.41 1.50 0.56 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.15 4.58 0.00 1.94 1.74 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 2.15 2.22 0.00