NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3778 0.0000 0.0000 61.6671 32.0957 176.2987 4 R 3.8591 8.1239 124.6292 56.8879 30.7497 175.1453 5 P 4.3226 0.0000 0.0000 65.0502 32.1264 178.2244 6 L 4.0528 7.7715 116.5903 56.4150 41.3119 178.3570 7 D 4.4244 7.8066 119.3338 56.8228 40.5782 178.6846 8 V 3.6246 7.2231 118.4752 65.7578 31.7796 177.7905 9 L 3.9674 7.6055 118.4750 57.5352 40.8905 178.7136 10 N 4.5799 7.8156 116.9624 56.5013 38.7224 176.2301 11 R 4.2374 7.6017 117.1424 57.4007 30.3747 176.5823 12 S 4.6731 7.5264 112.3765 58.5911 63.8353 174.1178 13 L 4.2254 7.5601 120.4343 54.9660 42.2388 176.6631 14 K 3.8863 8.5809 117.8189 56.8875 32.1212 174.6188 15 S 4.6691 7.2315 109.6653 57.5118 66.3365 174.1982 16 P 4.8973 0.0000 0.0000 63.6095 32.4734 175.6177 17 V 5.0164 8.8316 114.8444 60.4195 36.9545 173.1138 18 I 4.9583 9.8413 124.1340 59.7996 39.8357 175.0800 19 V 4.5955 8.7358 126.2139 61.0760 34.2242 174.0087 20 R 4.5568 7.8611 129.5804 55.3812 31.2845 175.3876 21 L 5.1542 8.7861 125.6356 52.2850 45.5660 176.0661 22 K 4.0899 8.6264 120.7915 58.0445 32.3229 177.6739 23 G 3.9611 8.8983 111.1854 44.9223 0.0000 174.5199 24 G 4.0332 7.7183 106.6795 44.9370 0.0000 173.5749 25 R 4.5857 7.6867 119.7431 55.2273 31.9000 174.8058 26 E 5.6069 8.7779 122.3018 53.8213 34.6016 174.5900 27 F 5.1331 8.3885 117.8725 56.3739 43.9073 173.9074 28 R 5.4411 8.3507 121.6867 53.9762 33.4068 174.7466 29 G 4.3097 8.3006 110.3626 45.8607 0.0000 170.7959 30 T 4.7013 8.8205 117.0165 62.6337 70.1988 174.7634 31 L 4.6604 8.7158 128.6605 54.8453 42.0427 176.5207 32 D 4.3536 8.9764 128.1023 56.7959 42.1728 175.7829 33 G 4.1157 7.5562 103.6294 46.6860 0.0000 171.1291 34 Y 5.7713 7.8634 117.0705 57.8103 40.5862 171.8597 35 D 4.7887 8.1422 117.1917 51.9412 42.4787 175.7796 36 I 3.8204 8.3509 118.4804 64.9376 36.9662 177.2227 37 H 4.3361 8.1972 116.0652 56.7248 29.1350 175.7204 38 M 3.1313 8.3230 118.8255 56.1113 31.1251 175.2165 39 N 5.0281 8.5536 114.8239 52.8007 39.7926 174.4093 40 L 5.2453 9.3423 123.5121 52.9491 45.8318 175.4906 41 V 4.8050 8.2893 119.8813 61.2211 34.6489 174.2514 42 L 5.3789 8.9815 127.4020 52.9431 45.3633 175.3404 43 L 5.0240 9.0466 123.0010 53.5005 44.5157 176.3667 44 D 4.5504 8.0477 120.6273 55.2946 39.2798 173.7471 45 A 4.8991 8.0341 120.0613 51.0499 20.9984 177.3288 46 E 4.8332 9.1834 120.5443 54.5330 32.4834 174.4904 47 E 3.9768 8.1685 123.2651 54.7534 31.6977 174.6522 48 I 4.7516 7.9372 126.4378 59.4880 40.6500 174.1651 49 Q 4.5754 8.4946 126.6424 54.9220 32.6698 174.6143 50 N 3.8659 9.9448 120.4816 54.0599 36.9634 174.0745 51 G 3.6233 7.5668 102.0273 44.1542 0.0000 174.0296 52 E 4.8259 7.4152 115.8899 55.4810 32.7622 175.6723 53 V 3.9685 8.6426 126.2924 63.9264 31.8353 175.6592 54 V 4.2434 8.3188 119.8499 62.2753 33.4164 175.1778 55 R 4.6294 7.1956 113.6468 55.7931 32.0768 173.8474 56 K 4.6918 8.4171 116.2529 55.8904 36.8251 176.6172 57 V 4.4272 8.5634 114.8170 60.2437 36.2242 175.6200 58 G 3.9695 9.2996 112.8253 47.4627 0.0000 172.8345 59 S 5.9042 7.9056 112.8048 58.4530 64.9086 176.7703 60 V 4.4550 7.6778 120.3602 60.5578 34.7433 172.8954 61 V 4.6095 8.3479 123.6339 61.5355 32.8199 174.5058 62 I 4.4056 8.6264 129.6197 59.3224 39.8023 175.6538 63 R 4.4536 8.4898 125.9174 55.6667 30.7343 177.7117 64 G 4.0294 8.8957 112.3364 47.3846 0.0000 174.7175 65 D 4.4460 8.2423 118.5176 56.9896 41.1976 176.9391 66 T 4.3534 8.0449 107.0904 61.2446 69.5229 174.4932 67 V 4.0947 7.8482 123.6467 63.0586 32.3235 175.1873 68 V 4.3018 8.8980 127.7063 64.3856 32.5065 175.6920 69 F 5.0075 7.3267 112.7796 55.8313 40.8407 172.6015 70 V 4.9716 8.5865 119.9031 61.3999 33.4657 174.6515 71 S 4.8686 9.5724 121.6661 55.8499 66.1296 171.3665 72 P 4.3073 0.0000 0.0000 62.7813 31.9203 175.9610 73 A 4.2781 8.6739 123.3726 52.3901 17.9102 177.3423 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 3 P 0.00 4.38 0.00 2.28 1.90 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 4 R 8.12 3.86 0.00 1.98 1.89 0.00 3.27 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 5 P 0.00 4.32 0.00 2.13 2.07 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 6 L 7.77 4.05 0.00 1.71 1.74 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.81 4.42 0.00 2.77 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 8 V 7.22 3.62 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 9 L 7.61 3.97 0.00 1.07 0.84 0.53 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.82 4.58 0.00 2.94 3.03 0.00 0.00 6.82 7.38 0.00 0.00 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 R 7.60 4.24 0.00 1.87 2.07 0.00 3.27 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 S 7.53 4.67 0.00 3.87 3.84 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 0.00 0.00 0.00 13 L 7.56 4.23 0.00 1.72 1.68 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.58 3.89 0.00 1.94 1.89 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 15 S 7.23 4.67 0.00 3.88 3.96 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 0.00 0.00 0.00 0.00 16 P 0.00 4.90 0.00 2.11 2.04 0.00 3.62 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 2.15 0.00 17 V 8.83 5.02 2.18 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 0.81 0.00 0.00 1.03 0.00 0.00 18 I 9.84 4.96 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.96 0.00 0.00 19 V 8.74 4.60 2.13 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 0.86 0.00 0.00 0.92 0.00 0.00 20 R 7.86 4.56 0.00 1.03 0.66 0.00 3.13 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 21 L 8.79 5.15 0.00 1.58 1.64 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.63 4.09 0.00 1.73 1.75 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 23 G 8.90 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.72 4.03 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 0.00 0.00 0.00 25 R 7.69 4.59 0.00 2.03 1.82 0.00 3.24 0.00 0.00 3.45 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 26 E 8.78 5.61 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 27 F 8.39 5.13 0.00 2.94 2.86 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 0.00 0.00 0.00 28 R 8.35 5.44 0.00 1.76 1.83 0.00 3.18 0.00 0.00 3.29 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 29 G 8.30 4.31 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 0.00 30 T 8.82 4.70 4.26 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 1.27 0.00 0.00 31 L 8.72 4.66 0.00 1.81 1.76 1.10 1.02 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 32 D 8.98 4.35 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 33 G 7.56 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 0.00 0.00 0.00 34 Y 7.86 5.77 0.00 2.99 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 35 D 8.14 4.79 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 3.82 1.73 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 0.88 0.00 0.00 37 H 8.20 4.34 0.00 3.40 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.32 3.13 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 39 N 8.55 5.03 0.00 2.99 2.73 0.00 0.00 6.87 6.02 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 40 L 9.34 5.25 0.00 1.45 1.51 0.87 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.29 4.81 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 0.97 0.00 0.00 0.92 0.00 0.00 42 L 8.98 5.38 0.00 1.53 1.52 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.05 5.02 0.00 1.55 1.56 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.05 4.55 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.03 4.90 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.18 4.83 0.00 1.96 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 2.42 2.17 0.00 47 E 8.17 3.98 0.00 1.59 1.59 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 1.94 1.54 0.00 48 I 7.94 4.75 1.76 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 1.02 0.41 0.84 0.00 0.00 49 Q 8.49 4.58 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.10 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 50 N 9.94 3.87 0.00 2.79 2.81 0.00 0.00 6.97 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 51 G 7.57 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 0.00 0.00 0.00 52 E 7.42 4.83 0.00 2.00 1.76 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 2.10 2.13 0.00 53 V 8.64 3.97 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 0.86 0.00 0.00 0.89 0.00 0.00 54 V 8.32 4.24 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 0.74 0.00 0.00 0.90 0.00 0.00 55 R 7.20 4.63 0.00 1.83 2.00 0.00 2.97 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 56 K 8.42 4.69 0.00 1.61 1.70 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.41 7.81 57 V 8.56 4.43 2.33 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 0.74 0.00 0.00 1.16 0.00 0.00 58 G 9.30 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 0.00 0.00 0.00 59 S 7.91 5.90 0.00 3.84 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 60 V 7.68 4.46 2.10 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 0.44 0.00 0.00 0.78 0.00 0.00 61 V 8.35 4.61 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 0.79 0.00 0.00 0.90 0.00 0.00 62 I 8.63 4.41 1.71 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.47 0.77 0.00 0.00 63 R 8.49 4.45 0.00 1.81 1.84 0.00 3.28 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 64 G 8.90 4.03 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 0.00 0.00 0.00 65 D 8.24 4.45 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 4.35 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 67 V 7.85 4.09 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 0.73 0.00 0.00 0.91 0.00 0.00 68 V 8.90 4.30 2.13 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 1.05 0.00 0.00 0.96 0.00 0.00 69 F 7.33 5.01 0.00 3.09 3.11 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 0.00 0.00 0.00 0.00 70 V 8.59 4.97 2.10 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 0.81 0.00 0.00 0.91 0.00 0.00 71 S 9.57 4.87 0.00 4.08 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 72 P 0.00 4.31 0.00 2.13 2.06 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 73 A 8.67 4.28 1.28 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 0.00 0.00