NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3464 8.1844 120.6300 54.9043 43.6595 177.0847 6 D 5.4510 8.3179 119.0623 52.5756 43.1527 174.7523 7 P 4.6158 0.0000 0.0000 63.1578 32.1230 176.9140 8 V 4.2449 7.7241 119.6972 64.4921 32.4798 176.7013 9 Q 4.3139 8.0559 116.8015 58.1256 28.0548 178.1093 10 K 4.0545 8.0856 119.5103 58.8718 31.9245 179.0947 11 L 4.4241 8.5525 121.8880 56.9719 41.5793 179.0241 12 F 4.2486 8.4090 114.2565 60.1496 37.6238 177.0452 13 V 2.5959 6.4136 116.2568 65.5580 30.9875 177.5372 14 D 4.2068 7.4825 117.0019 57.2631 40.6541 179.1215 15 K 3.5036 7.5551 118.7476 59.4964 32.1431 179.3371 16 I 3.6598 7.5022 119.9048 64.4265 36.9679 178.6976 17 R 3.7849 7.5768 118.6568 59.3943 29.9534 179.0369 18 E 4.0679 7.4335 119.3717 58.8864 29.2515 179.0784 19 Y 4.3988 7.1591 116.9546 61.1907 37.8574 178.7613 20 R 3.9087 7.9916 118.9521 59.4457 30.0403 178.9305 21 T 3.9221 7.9457 115.5595 66.7906 68.2876 175.9341 22 K 3.8691 7.7228 119.6161 59.9413 32.4967 178.1491 23 R 4.0915 8.8702 119.4187 59.4108 29.7607 177.4455 24 Q 4.2910 8.5662 116.9049 55.6184 29.8971 175.7906 25 T 4.5565 7.5228 116.0914 61.8561 71.6408 174.2372 26 S 4.4259 8.5253 121.1691 57.8700 65.3984 174.4256 27 G 4.4637 8.6662 118.3193 45.4609 0.0000 172.3224 28 G 3.7750 7.9629 107.7149 45.0619 0.0000 170.1050 29 P 4.3560 0.0000 0.0000 61.2742 32.3354 175.5073 30 V 3.6563 8.1290 123.2010 63.8644 31.8262 175.2363 31 D 4.2612 7.7500 127.3999 60.9540 39.1175 177.8891 32 A 2.6808 8.6479 115.8671 50.1985 20.4151 176.3181 33 G 3.7895 8.7633 124.3570 44.1438 0.0000 173.3810 34 P 4.1215 0.0000 0.0000 64.9734 32.1006 178.6431 35 E 4.7969 8.3645 119.1650 58.9143 29.2615 178.2418 36 Y 3.9499 8.2927 119.9192 60.9942 38.7836 178.3246 37 Q 4.0095 7.9249 119.3603 59.3636 29.0905 178.2403 38 Q 3.9990 7.9482 118.5376 58.9385 28.7846 178.3010 39 D 4.2478 8.5445 120.2494 57.9648 40.8916 178.1174 40 L 3.5826 7.6698 119.4158 58.8720 41.9728 178.5148 41 D 4.4035 9.0185 118.5097 57.6853 40.9913 179.5180 42 R 3.9384 8.2835 118.7168 59.2978 30.0880 178.7794 43 E 3.9839 8.7608 119.4737 59.0907 29.7375 178.4548 44 L 3.9661 8.6477 120.8749 57.9984 42.1116 178.8453 45 F 4.1419 8.5033 121.0404 61.1977 39.4314 177.2004 46 K 3.8504 8.2577 118.4888 60.0077 32.2126 178.9775 47 L 4.0659 7.9774 120.0927 57.3854 41.4622 179.0179 48 K 3.7759 7.8035 119.3247 59.8522 31.7652 178.5094 49 Q 3.8044 7.2871 116.5248 59.4299 28.7148 178.7892 50 M 4.1169 7.8446 118.1729 57.4197 32.0400 177.2834 51 Y 4.5666 7.9736 113.3632 56.2893 39.6272 176.3512 52 G 3.9760 8.1401 105.8664 45.5584 0.0000 173.4132 53 K 4.3055 8.1300 115.8545 55.9851 32.0990 177.1453 54 A 4.1461 7.5506 122.2523 51.4657 19.2655 178.1289 55 D 4.5380 8.2464 119.1803 53.5253 39.8461 176.7543 56 M 4.1912 8.3872 124.8959 56.8655 32.0135 177.0930 57 N 4.7075 8.5122 115.8932 53.6463 39.2808 174.9503 58 T 4.7531 7.9032 115.0758 61.0741 71.7954 173.6085 59 F 4.2074 8.6715 126.2245 57.1150 40.1531 173.5836 60 P 4.1406 0.0000 0.0000 62.6489 31.7729 175.1581 61 N 4.9233 7.9859 116.8054 51.4939 40.7007 174.2928 62 F 4.5390 8.5686 119.8554 55.7337 41.3677 174.9970 63 T 4.4729 8.1381 121.2384 61.6110 70.6582 173.4000 64 F 4.9581 8.5837 125.0109 55.2172 40.8064 175.6090 65 E 4.1577 8.8124 123.7054 56.1397 30.0511 176.6633 66 D 4.5881 8.5017 121.6321 53.2561 41.5996 174.2697 67 P 4.3552 0.0000 0.0000 63.0249 31.7010 175.5916 68 K 4.6390 7.8145 117.1551 54.7526 34.6959 174.5819 69 F 4.5597 7.9498 116.7455 56.5437 42.0496 175.2432 70 E 4.1703 8.2733 124.5916 57.0575 29.1711 174.5689 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 5 L 8.18 4.35 0.00 1.66 1.77 0.92 0.66 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 6 D 8.32 5.45 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.23 2.13 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 V 7.72 4.24 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 1.18 0.00 0.00 0.95 0.00 0.00 9 Q 8.06 4.31 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 10 K 8.09 4.05 0.00 1.77 1.85 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.48 7.81 11 L 8.55 4.42 0.00 2.01 1.77 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.41 4.25 0.00 3.30 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.41 2.60 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 0.75 0.00 0.00 0.60 0.00 0.00 14 D 7.48 4.21 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 3.50 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.72 7.81 16 I 7.50 3.66 1.79 0.00 0.00 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 1.74 1.02 0.96 0.00 0.00 17 R 7.58 3.78 0.00 1.89 1.86 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 18 E 7.43 4.07 0.00 1.73 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 2.33 2.25 0.00 19 Y 7.16 4.40 0.00 3.19 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 20 R 7.99 3.91 0.00 2.03 2.12 0.00 3.13 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 1.70 2.04 0.00 21 T 7.95 3.92 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 1.19 0.00 0.00 22 K 7.72 3.87 0.00 1.79 2.20 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.53 7.81 23 R 8.87 4.09 0.00 2.14 1.95 0.00 3.15 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 24 Q 8.57 4.29 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.35 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 25 T 7.52 4.56 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 26 S 8.53 4.43 0.00 3.79 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 27 G 8.67 4.46 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 0.00 28 G 7.96 3.78 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 0.00 0.00 0.00 29 P 0.00 4.36 0.00 1.55 1.45 0.00 3.45 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 30 V 8.13 3.66 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 0.77 0.00 0.00 0.90 0.00 0.00 31 D 7.75 4.26 0.00 2.85 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 32 A 8.65 2.68 1.24 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 0.00 0.00 33 G 8.76 3.79 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 0.00 0.00 0.00 34 P 0.00 4.12 0.00 2.22 2.11 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 35 E 8.36 4.80 0.00 2.10 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 2.42 2.52 0.00 36 Y 8.29 3.95 0.00 3.09 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 37 Q 7.92 4.01 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 38 Q 7.95 4.00 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.73 0.00 39 D 8.54 4.25 0.00 2.44 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 3.58 0.00 1.81 1.75 0.85 1.24 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 41 D 9.02 4.40 0.00 2.84 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 42 R 8.28 3.94 0.00 1.98 2.00 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 43 E 8.76 3.98 0.00 2.13 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 44 L 8.65 3.97 0.00 2.07 1.80 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.50 4.14 0.00 3.24 3.27 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 46 K 8.26 3.85 0.00 2.05 2.14 0.00 1.38 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.68 7.81 47 L 7.98 4.07 0.00 1.91 1.77 0.91 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 48 K 7.80 3.78 0.00 1.78 1.82 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.57 7.81 49 Q 7.29 3.80 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 1.98 2.27 0.00 50 M 7.84 4.12 0.00 1.64 2.34 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.48 0.00 51 Y 7.97 4.57 0.00 3.01 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 52 G 8.14 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 53 K 8.13 4.31 0.00 1.72 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 54 A 7.55 4.15 1.17 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 0.00 0.00 55 D 8.25 4.54 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.39 4.19 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 57 N 8.51 4.71 0.00 2.87 2.85 0.00 0.00 6.72 8.40 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 58 T 7.90 4.75 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 1.26 0.00 0.00 59 F 8.67 4.21 0.00 3.01 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 60 P 0.00 4.14 0.00 1.06 1.54 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 61 N 7.99 4.92 0.00 2.57 2.69 0.00 0.00 6.79 7.45 0.00 0.00 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 F 8.57 4.54 0.00 2.48 1.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 4.47 4.17 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 1.22 0.00 0.00 64 F 8.58 4.96 0.00 3.06 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 65 E 8.81 4.16 0.00 2.11 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 2.36 2.37 0.00 66 D 8.50 4.59 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.36 0.00 1.86 1.95 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 68 K 7.81 4.64 0.00 1.58 1.64 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.31 1.37 7.81 69 F 7.95 4.56 0.00 3.00 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 70 E 8.27 4.17 0.00 2.17 2.00 0.00 0.00 0.00 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 2.32 0.00