NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2552 8.3149 121.7841 56.5251 34.2509 177.1260 2 R 3.6397 7.7678 117.4936 58.1401 30.3169 175.7251 3 A 4.1458 7.9340 119.8774 53.9408 19.6370 175.7691 4 G 4.0536 8.9474 109.5822 46.3654 0.0000 174.1813 5 T 3.6813 7.1141 115.8476 63.7395 66.3866 172.8061 6 V 4.2091 7.7602 118.9162 59.7110 32.7622 175.8166 7 C 4.5324 9.4276 125.7499 60.2437 31.4695 174.6017 8 S 4.4659 8.8220 123.4448 60.3623 62.5296 174.6684 9 N 4.8923 8.0963 116.5235 53.9010 40.2686 175.6032 10 C 4.6625 7.8357 110.8236 57.4279 30.6417 173.7793 11 Q 3.6221 8.7729 115.2608 57.5155 27.9486 173.4583 12 T 4.1747 7.6699 112.5279 62.4696 67.8522 175.3041 13 S 4.8652 8.7816 122.4094 59.0481 64.2092 173.9325 14 T 4.6719 7.9374 111.6150 59.9007 69.8853 173.5443 15 T 4.4165 7.8486 115.3961 59.5348 71.8733 173.8438 16 T 4.0436 8.1336 112.1341 63.8577 69.5630 174.7209 17 L 4.5657 7.0784 118.5452 52.2303 44.3537 174.5129 18 W 4.6079 8.7217 122.4739 56.9116 29.8326 175.3763 19 R 4.6273 8.6812 122.8045 54.7630 31.1565 175.5605 20 R 4.8171 8.5389 122.5257 54.6900 31.3501 176.2428 21 S 4.3643 8.5464 119.1945 57.0121 63.3289 172.9972 22 P 4.2542 0.0000 0.0000 66.0963 31.1859 177.9407 23 M 4.0790 7.8955 116.0112 56.8504 32.1779 176.5621 24 G 4.1714 8.1483 108.4672 46.2345 0.0000 174.5825 25 D 4.7933 7.9621 119.2443 51.0343 44.2820 174.0503 26 P 4.7162 0.0000 0.0000 63.1773 32.2399 175.5916 27 V 5.0580 8.8104 119.0499 58.9640 34.9302 175.2380 28 C 3.2376 9.0119 119.8419 59.1819 29.7515 174.5024 29 N 4.0283 8.9165 121.4161 56.7868 38.6499 176.3695 30 A 4.0107 8.0133 121.5594 55.7646 18.5000 179.3006 31 C 4.2848 8.5253 115.4559 62.6886 28.0025 176.6919 32 G 3.5920 7.9165 106.8553 47.8626 0.0000 175.3096 33 L 4.0583 8.4286 122.6388 57.6580 41.2081 178.7718 34 Y 3.9489 8.1846 119.0971 61.1454 38.5794 177.6606 35 Y 4.5490 8.1512 121.1231 60.1979 38.6360 178.3838 36 K 4.0084 7.9168 119.0746 59.1472 32.3539 178.1793 37 L 4.0211 7.4109 118.7375 57.6579 41.6397 178.1094 38 H 4.6093 7.1353 110.1030 54.3948 29.5982 173.3727 39 Q 3.1833 7.9513 118.8551 56.8141 28.1072 173.3520 40 V 4.1357 6.6594 109.0345 59.3708 35.2461 174.2362 41 N 4.9256 8.5276 118.5395 53.6346 37.7267 174.1231 42 R 3.3962 8.0403 114.7393 53.8802 30.6245 172.9392 43 P 4.1517 0.0000 0.0000 62.6881 31.9207 176.3047 44 L 4.5003 8.2993 123.2442 55.9737 40.7693 178.2236 45 T 4.0828 7.8590 109.0956 64.3097 68.7907 174.3739 46 M 4.3623 7.6965 120.3712 55.5031 33.0618 176.2357 47 R 4.4269 7.3415 117.3097 55.1101 30.2446 175.5249 48 K 4.5281 7.8615 116.6817 55.7532 35.5786 176.3051 49 D 4.3516 8.7257 117.7322 55.1600 39.8902 176.3541 50 G 4.1750 7.3016 108.5760 43.2211 0.0000 172.5787 51 I 3.6058 7.6149 123.2579 61.5539 37.4193 176.5995 52 Q 4.2401 8.4638 123.9248 56.3820 29.4010 174.7630 53 T 4.6109 7.8460 112.5449 61.7347 70.4900 172.9797 54 R 4.3801 7.8333 121.5051 55.4117 33.1723 174.6295 55 N 4.4149 8.6906 117.6605 54.1179 37.4289 175.3870 56 R 3.9502 8.3007 120.7897 55.5222 29.8905 176.7983 57 K 3.7544 8.6564 120.4117 56.6236 32.4300 176.6970 58 V 3.5260 8.5609 124.9695 62.5048 31.7462 177.5836 59 S 4.4499 8.4109 120.3380 57.3319 61.2052 174.0146 60 S 4.2389 7.8341 119.3975 59.4089 62.0159 173.5511 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 K 8.31 4.26 0.00 1.71 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.39 7.81 2 R 7.77 3.64 0.00 2.02 1.94 0.00 3.19 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 3 A 7.93 4.15 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 4 G 8.95 4.05 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 0.00 0.00 0.00 5 T 7.11 3.68 3.40 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 -0.75 0.00 0.00 6 V 7.76 4.21 2.14 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 0.85 0.00 0.00 0.97 0.00 0.00 7 C 9.43 4.53 0.00 3.20 3.12 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 8 S 8.82 4.47 0.00 3.95 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 9 N 8.10 4.89 0.00 2.72 2.86 0.00 0.00 6.76 7.69 0.00 0.00 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 C 7.84 4.66 0.00 3.01 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 11 Q 8.77 3.62 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 12 T 7.67 4.17 4.22 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 1.07 0.00 0.00 13 S 8.78 4.87 0.00 4.13 4.07 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 0.00 0.00 0.00 0.00 14 T 7.94 4.67 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 15 T 7.85 4.42 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 16 T 8.13 4.04 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 1.13 0.00 0.00 17 L 7.08 4.57 0.00 1.58 1.58 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.72 4.61 0.00 3.21 3.12 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 19 R 8.68 4.63 0.00 1.96 2.10 0.00 2.84 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.94 0.00 20 R 8.54 4.82 0.00 1.73 1.92 0.00 3.34 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 21 S 8.55 4.36 0.00 3.82 3.94 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 22 P 0.00 4.25 0.00 2.07 2.10 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 23 M 7.90 4.08 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 24 G 8.15 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 0.00 0.00 0.00 0.00 25 D 7.96 4.79 0.00 2.55 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 26 P 0.00 4.72 0.00 1.98 2.06 0.00 3.35 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 27 V 8.81 5.06 2.14 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 0.92 0.00 0.00 1.05 0.00 0.00 28 C 9.01 3.24 0.00 2.42 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.92 4.03 0.00 2.88 2.75 0.00 0.00 6.72 7.53 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 30 A 8.01 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.53 4.28 0.00 3.12 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 32 G 7.92 3.59 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 0.00 0.00 0.00 33 L 8.43 4.06 0.00 1.70 1.77 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.18 3.95 0.00 3.18 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 35 Y 8.15 4.55 0.00 3.45 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 36 K 7.92 4.01 0.00 1.82 2.00 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 37 L 7.41 4.02 0.00 1.38 1.40 0.91 0.60 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 38 H 7.14 4.61 0.00 3.01 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.95 3.18 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 40 V 6.66 4.14 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 0.98 0.00 0.00 0.97 0.00 0.00 41 N 8.53 4.93 0.00 2.83 2.93 0.00 0.00 5.67 7.66 0.00 0.00 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 8.04 3.40 0.00 1.43 1.95 0.00 3.18 0.00 0.00 3.50 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 43 P 0.00 4.15 0.00 1.92 1.94 0.00 2.26 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 44 L 8.30 4.50 0.00 1.77 1.81 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.86 4.08 4.22 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 1.19 0.00 0.00 46 M 7.70 4.36 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 47 R 7.34 4.43 0.00 1.94 1.84 0.00 3.05 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 48 K 7.86 4.53 0.00 1.89 1.68 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.36 7.81 49 D 8.73 4.35 0.00 2.79 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 50 G 7.30 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 0.00 0.00 0.00 0.00 51 I 7.61 3.61 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.86 0.00 0.00 52 Q 8.46 4.24 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 53 T 7.85 4.61 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 54 R 7.83 4.38 0.00 1.78 1.81 0.00 3.43 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 55 N 8.69 4.41 0.00 2.66 2.78 0.00 0.00 6.81 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 56 R 8.30 3.95 0.00 1.95 1.95 0.00 3.11 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 57 K 8.66 3.75 0.00 1.73 1.79 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 58 V 8.56 3.53 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 0.88 0.00 0.00 0.96 0.00 0.00 59 S 8.41 4.45 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.24 0.00 3.85 3.80 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