NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6168 8.4449 120.3851 56.2503 30.4190 172.8838 1 E 4.6460 8.7592 117.4478 52.7276 32.5020 173.8188 2 Q 4.2495 8.7257 123.6977 56.9346 30.6722 175.5823 3 T 4.4993 9.0985 115.3880 62.9634 71.6800 173.4666 4 H 5.3693 8.0743 116.9476 53.8320 34.1172 172.1202 5 R 5.1408 8.7907 118.0000 54.8172 33.4818 174.2616 6 A 4.6959 8.9512 128.8834 52.0966 19.0695 177.6586 7 I 4.3232 8.7766 114.4346 60.5728 39.4889 175.4858 8 F 5.2307 7.7232 119.6241 55.3421 42.7294 174.4001 9 R 4.5624 8.7541 121.2220 56.0690 31.0478 175.2494 10 F 5.0740 9.3151 128.2173 56.4800 42.4106 173.4001 11 V 4.3456 7.7816 126.0504 60.1987 32.8011 173.5937 12 P 4.4601 0.0000 0.0000 62.9509 31.6494 176.5327 13 R 4.4931 10.0752 119.1562 55.6558 32.5913 175.3730 14 H 5.0629 7.9741 114.0235 53.3718 32.5597 173.9344 15 E 3.9882 9.0893 121.5798 59.7878 29.5148 178.4036 16 D 4.6111 8.0237 115.7626 54.3424 40.2460 175.7410 17 E 4.9779 7.9397 119.8926 56.3528 30.5130 175.7211 18 L 4.7631 9.0508 125.6607 53.3766 43.5341 175.8460 19 E 4.4531 8.8990 127.4803 56.3637 30.7834 175.7040 20 L 4.8636 9.0477 125.1856 53.1657 45.4706 175.5743 21 E 4.9898 8.8118 121.9746 54.2871 32.6121 175.7247 22 V 3.6343 8.2246 121.3294 64.3352 32.1678 175.5310 23 D 4.5352 8.9887 124.9446 55.2249 38.8207 173.5323 24 D 4.7274 7.5711 119.2969 53.1975 42.2151 174.1761 25 P 4.7621 0.0000 0.0000 62.7836 32.8246 175.1729 26 L 5.2166 8.9209 122.5186 52.9371 46.1713 175.4381 27 L 4.8712 8.7883 124.8777 53.0604 43.2878 174.4228 28 V 4.1469 8.9250 125.9862 62.8390 31.3263 175.3629 29 E 4.4250 9.0385 127.8416 57.6134 30.7286 176.3753 30 L 4.2770 7.4951 119.7813 54.1113 45.6753 173.9764 31 Q 4.8319 8.4841 125.1487 53.2111 28.7091 174.9852 32 A 4.2857 8.5265 126.0465 51.9036 19.6244 178.1817 33 E 4.0100 8.8541 116.5418 57.7012 30.1894 177.1331 34 D 4.5992 7.9147 118.2850 53.3545 39.8767 176.0438 35 Y 3.7619 7.4355 114.5169 58.7758 35.6969 168.3526 36 W 4.9001 8.0695 118.6147 55.0981 32.8075 174.1071 37 Y 5.0568 8.3161 119.7562 56.3617 40.5322 174.5831 38 E 5.0509 8.9954 123.3998 55.0179 31.6999 175.1289 39 A 5.3408 9.3636 125.7675 50.8906 23.9884 173.4613 40 Y 5.1120 8.7538 119.8911 55.9376 41.4166 174.1513 41 N 4.6463 9.0956 126.8630 53.0191 39.2404 175.4306 42 M 3.8782 8.4761 127.1836 57.5559 31.9805 178.1937 43 R 4.0542 8.5528 119.6003 58.3729 30.4508 176.9849 44 T 4.2795 7.9366 104.5451 60.4280 69.7175 174.1332 45 G 3.9800 7.9939 110.2576 46.3476 0.0000 173.4718 46 A 4.8189 7.4137 120.0893 49.9728 22.0487 176.5039 47 R 5.1401 9.3513 119.6239 53.9557 32.6548 176.5532 48 G 4.0900 6.9518 105.9838 45.8662 0.0000 171.4889 49 V 5.7806 8.2876 112.2747 59.1700 35.3805 175.1037 50 F 4.9774 8.1283 114.8499 55.0871 41.1437 171.4817 51 P 3.2797 0.0000 0.0000 62.3817 31.4661 176.9706 52 A 2.5800 8.1046 128.3535 55.3558 18.1571 178.7787 53 Y 4.3176 7.5278 109.5065 59.7675 38.1687 176.1438 54 Y 4.3327 8.5025 117.7523 58.6978 38.4997 174.5777 55 A 5.3654 7.8105 121.2739 49.9891 22.7883 175.4815 56 I 4.8425 8.5152 112.4666 58.6171 41.0356 175.0803 57 E 4.2084 8.9086 122.1134 56.2433 30.3534 177.5824 58 V 4.2461 7.3669 115.3202 58.5370 30.6214 176.5316 59 T 3.9417 7.3933 112.8722 62.4080 67.9074 173.9503 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 0 H 8.44 4.62 0.00 3.13 3.04 0.00 5.64 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 E 8.76 4.65 0.00 2.16 1.86 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 2.23 2.34 0.00 2 Q 8.73 4.25 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.35 0.00 3 T 9.10 4.50 4.33 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 1.30 0.00 0.00 4 H 8.07 5.37 0.00 3.20 3.44 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.79 5.14 0.00 1.84 1.69 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 6 A 8.95 4.70 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.78 4.32 1.35 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.71 0.00 0.00 8 F 7.72 5.23 0.00 2.28 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.75 4.56 0.00 1.91 1.94 0.00 3.22 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 10 F 9.32 5.07 0.00 3.19 2.90 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 11 V 7.78 4.35 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 0.75 0.00 0.00 0.88 0.00 0.00 12 P 0.00 4.46 0.00 1.92 2.00 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 13 R 10.08 4.49 0.00 1.48 1.60 0.00 3.10 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 14 H 7.97 5.06 0.00 3.23 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.09 3.99 0.00 1.96 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 2.34 2.28 0.00 16 D 8.02 4.61 0.00 2.81 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 17 E 7.94 4.98 0.00 2.22 2.47 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 2.72 2.45 0.00 18 L 9.05 4.76 0.00 1.72 2.01 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.90 4.45 0.00 2.02 1.85 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 2.29 2.36 0.00 20 L 9.05 4.86 0.00 1.73 1.49 0.32 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.81 4.99 0.00 2.30 1.84 0.00 0.00 0.00 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 2.22 0.00 22 V 8.22 3.63 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 0.83 0.00 0.00 1.03 0.00 0.00 23 D 8.99 4.54 0.00 2.83 2.78 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 0.00 0.00 0.00 0.00 24 D 7.57 4.73 0.00 2.80 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 25 P 0.00 4.76 0.00 2.13 2.18 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 26 L 8.92 5.22 0.00 1.68 1.64 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.79 4.87 0.00 1.91 1.80 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.93 4.15 1.89 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 0.36 0.00 0.00 0.76 0.00 0.00 29 E 9.04 4.43 0.00 1.90 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 2.30 2.50 0.00 30 L 7.50 4.28 0.00 1.69 1.42 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.48 4.83 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 32 A 8.53 4.29 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.01 0.00 1.98 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 2.22 2.23 0.00 34 D 7.91 4.60 0.00 2.91 2.80 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 35 Y 7.44 3.76 0.00 3.32 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 36 W 8.07 4.90 0.00 3.17 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 37 Y 8.32 5.06 0.00 1.43 2.30 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 38 E 9.00 5.05 0.00 1.90 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 2.39 2.39 0.00 39 A 9.36 5.34 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.75 5.11 0.00 3.12 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 41 N 9.10 4.65 0.00 2.67 2.49 0.00 0.00 6.78 8.31 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 42 M 8.48 3.88 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 43 R 8.55 4.05 0.00 1.71 2.05 0.00 3.22 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 44 T 7.94 4.28 4.21 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 1.18 0.00 0.00 45 G 7.99 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 46 A 7.41 4.82 1.23 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 0.00 0.00 0.00 47 R 9.35 5.14 0.00 1.92 1.97 0.00 3.43 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 48 G 6.95 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.29 5.78 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 0.89 0.00 0.00 1.02 0.00 0.00 50 F 8.13 4.98 0.00 2.40 3.03 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 0.00 0.00 0.00 51 P 0.00 3.28 0.00 1.44 1.39 0.00 2.20 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 0.00 52 A 8.10 2.58 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 4.32 0.00 3.09 3.10 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 54 Y 8.50 4.33 0.00 3.26 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 55 A 7.81 5.37 1.43 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 56 I 8.52 4.84 1.87 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 1.43 0.87 0.85 0.00 0.00 57 E 8.91 4.21 0.00 1.88 1.83 0.00 0.00 0.00 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 2.32 0.00 58 V 7.37 4.25 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 0.81 0.00 0.00 0.97 0.00 0.00 59 T 7.39 3.94 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