NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4077 8.3044 118.1952 54.3094 32.5654 174.8079 1 K 3.6699 8.5760 121.5991 54.2420 32.7778 174.3442 2 P 4.3664 0.0000 0.0000 62.6363 33.1788 176.5986 3 V 3.5366 8.6688 120.6160 66.2714 31.3451 178.4690 4 S 4.1499 8.0599 112.0384 60.4409 62.7903 174.7103 5 L 4.3402 7.5446 119.3361 55.0749 42.8653 176.8650 6 S 4.2337 7.5099 113.3987 58.3651 62.6150 173.2467 7 Y 4.4616 8.4551 123.6812 57.7676 38.4553 175.5039 8 R 4.2061 7.7153 121.5391 55.2973 30.7451 175.3654 9 C 4.1429 8.9006 122.1247 56.9220 40.7735 173.2453 10 P 4.0088 0.0000 0.0000 65.2815 31.0283 176.8813 11 C 4.6347 7.3235 113.9348 55.3046 40.1542 173.5692 12 R 3.7319 8.2456 124.8928 57.8743 30.1526 177.1027 13 F 5.0486 7.5086 113.6409 55.6403 43.0090 173.3127 14 F 5.2823 8.1702 116.7881 55.1078 40.7838 174.3421 15 E 4.7717 8.9827 120.3786 55.0170 31.8011 177.0867 16 S 4.8930 8.6709 116.2862 58.7739 64.1125 173.9905 17 H 5.1040 7.9600 116.8941 55.2821 29.3011 174.0296 18 I 4.3259 7.9006 119.8494 59.6010 38.4638 176.1797 19 A 4.1691 8.3816 128.8710 51.3994 19.4817 177.6206 20 R 2.0000 7.6540 121.9114 58.8127 29.8727 178.6928 21 A 3.8229 7.5669 118.3791 54.7888 18.5568 177.2309 22 N 4.6313 7.9004 113.0975 53.3797 38.8592 173.7726 23 V 4.5067 7.4286 117.1412 61.0648 32.6694 175.5420 24 K 4.3394 9.4433 130.8377 59.5307 32.7150 176.2596 25 H 4.9930 7.7661 112.4948 54.8211 31.7231 172.3210 26 L 5.0995 8.7452 119.4994 53.1943 43.4180 175.7780 27 K 4.4470 9.4076 125.9212 55.1800 34.0100 175.1201 28 I 4.8422 8.2871 128.3808 59.4462 38.2868 175.3889 29 L 4.0988 8.8654 128.0687 54.1475 42.2433 178.0292 30 N 4.6941 8.3296 122.3609 52.6482 37.6267 175.8629 31 T 4.6000 7.1273 111.5815 57.8066 69.1400 173.0748 32 P 4.2055 0.0000 0.0000 66.9997 31.3504 178.1082 33 N 4.6051 8.0923 112.8941 54.1764 38.7700 175.2832 34 C 5.0631 7.6559 115.1817 54.7346 43.5135 174.2286 35 A 3.8648 8.6909 125.6973 54.1343 18.2770 177.4075 36 L 4.5268 7.7721 115.5116 53.6472 42.2481 175.8968 37 Q 4.5035 8.4450 122.3211 55.6952 30.8829 175.1563 38 I 4.8277 7.6188 121.2046 59.4616 39.6737 174.4709 39 V 4.8524 8.9339 127.6305 61.0078 34.0889 173.9918 40 A 5.0141 9.3000 130.2966 50.7358 21.0194 175.5512 41 R 4.8569 8.6896 122.8327 55.1047 32.0309 175.1712 42 L 4.9951 8.3584 125.8975 53.2743 43.8024 177.8156 43 K 4.1244 8.7737 122.6435 59.3815 32.0047 178.4631 44 N 4.5771 8.2773 116.2345 54.2762 37.7584 175.3197 45 N 4.8602 7.6754 112.2483 51.0798 38.7381 173.8429 46 N 4.3324 8.1645 114.1636 54.1870 37.2330 174.4580 47 R 4.3261 8.4166 117.2770 56.2839 31.5602 175.4280 48 Q 5.1613 8.5744 119.4094 54.6425 30.6775 175.1201 49 V 4.5774 8.5219 116.8881 59.3675 35.3137 174.5428 50 C 5.0724 8.9049 122.4546 56.9168 41.3809 172.6058 51 I 5.2107 8.2672 115.9369 58.5289 40.6964 174.7033 52 D 3.7784 8.4742 123.1988 53.9231 41.2805 175.5995 53 P 4.1804 0.0000 0.0000 64.8112 31.5782 177.1142 54 K 4.1268 7.4009 117.2695 56.2055 32.6552 176.9520 55 L 3.8068 7.2760 120.0803 54.8485 42.1932 178.0592 56 K 3.8103 8.7713 124.1252 59.4238 32.4327 178.2734 57 W 4.5954 7.7155 113.9026 57.4566 28.3960 178.1180 58 I 3.1643 6.8732 121.6332 64.3977 36.4425 177.6384 59 Q 3.9418 7.9496 119.9027 59.3872 28.8554 178.0799 60 E 3.9711 8.1963 119.6833 59.2686 29.5774 177.7197 61 Y 4.1829 8.1752 119.4035 60.9046 38.6553 178.3522 62 L 4.0869 8.2819 118.7762 57.7988 42.1878 178.7587 63 E 4.0830 8.5449 119.5956 59.3197 29.6489 179.0602 64 K 4.0015 8.2318 118.2424 59.2470 31.8135 179.1459 65 A 3.9566 7.5429 120.2699 54.3837 18.3114 178.6942 66 L 4.2537 7.7067 114.9338 54.2165 42.3616 176.5035 67 N 4.4790 7.7057 121.1053 53.7216 39.3614 173.7941 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 M 8.30 4.41 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 1 K 8.58 3.67 0.00 1.82 1.77 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.49 7.81 2 P 0.00 4.37 0.00 2.23 2.16 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 3 V 8.67 3.54 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 0.97 0.00 0.00 0.91 0.00 0.00 4 S 8.06 4.15 0.00 3.97 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 5 L 7.54 4.34 0.00 1.79 1.70 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.51 4.23 0.00 3.82 3.71 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 7 Y 8.46 4.46 0.00 3.00 2.92 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 0.00 0.00 0.00 8 R 7.72 4.21 0.00 1.80 1.81 0.00 3.33 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 9 C 8.90 4.14 0.00 2.99 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 10 P 0.00 4.01 0.00 2.16 2.17 0.00 3.74 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 1.98 1.98 0.00 11 C 7.32 4.63 0.00 3.15 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 12 R 8.25 3.73 0.00 0.74 0.81 0.00 2.99 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00 13 F 7.51 5.05 0.00 2.91 2.63 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 14 F 8.17 5.28 0.00 3.02 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 15 E 8.98 4.77 0.00 2.07 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 2.24 2.41 0.00 16 S 8.67 4.89 0.00 3.81 3.75 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 17 H 7.96 5.10 0.00 3.14 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.90 4.33 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 1.09 0.00 0.00 19 A 8.38 4.17 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 20 R 7.65 2.00 0.00 0.67 1.27 0.00 3.18 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.13 0.00 21 A 7.57 3.82 1.19 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 0.00 0.00 22 N 7.90 4.63 0.00 2.76 2.73 0.00 0.00 6.59 8.50 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 23 V 7.43 4.51 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 0.88 0.00 0.00 0.95 0.00 0.00 24 K 9.44 4.34 0.00 1.73 1.90 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.41 7.81 25 H 7.77 4.99 0.00 3.29 3.42 0.00 5.49 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.75 5.10 0.00 1.69 1.68 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.41 4.45 0.00 1.86 1.82 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 28 I 8.29 4.84 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 0.91 0.00 0.00 29 L 8.87 4.10 0.00 1.49 1.60 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.33 4.69 0.00 2.67 2.74 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 31 T 7.13 4.60 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 32 P 0.00 4.21 0.00 2.19 2.26 0.00 3.85 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 2.00 2.02 0.00 33 N 8.09 4.61 0.00 2.75 2.92 0.00 0.00 6.68 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 34 C 7.66 5.06 0.00 2.88 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 A 8.69 3.86 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 36 L 7.77 4.53 0.00 1.64 1.65 1.17 0.89 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 37 Q 8.45 4.50 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 38 I 7.62 4.83 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.84 0.00 0.00 39 V 8.93 4.85 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 0.99 0.00 0.00 0.95 0.00 0.00 40 A 9.30 5.01 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 41 R 8.69 4.86 0.00 1.80 1.39 0.00 3.16 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 1.52 1.62 0.00 42 L 8.36 5.00 0.00 1.82 1.54 0.99 0.68 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 43 K 8.77 4.12 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.33 7.81 44 N 8.28 4.58 0.00 2.80 3.02 0.00 0.00 6.80 9.25 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 45 N 7.68 4.86 0.00 2.78 2.90 0.00 0.00 6.15 8.04 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 46 N 8.16 4.33 0.00 2.86 2.92 0.00 0.00 6.98 8.06 0.00 0.00 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 8.42 4.33 0.00 1.84 1.87 0.00 3.09 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 48 Q 8.57 5.16 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 49 V 8.52 4.58 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 0.79 0.00 0.00 1.04 0.00 0.00 50 C 8.90 5.07 0.00 3.19 3.07 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 51 I 8.27 5.21 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.97 0.00 0.00 52 D 8.47 3.78 0.00 2.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.07 2.02 0.00 3.26 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 54 K 7.40 4.13 0.00 1.73 1.77 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.44 7.81 55 L 7.28 3.81 0.00 1.24 1.01 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.77 3.81 0.00 1.75 1.98 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 57 W 7.72 4.60 0.00 3.72 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.87 3.16 1.50 0.00 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.40 0.69 0.00 0.00 59 Q 7.95 3.94 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 60 E 8.20 3.97 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 61 Y 8.18 4.18 0.00 3.55 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.09 0.00 1.70 1.77 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.54 4.08 0.00 2.07 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 0.00 2.32 2.41 0.00 64 K 8.23 4.00 0.00 1.75 1.81 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.61 7.81 65 A 7.54 3.96 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 66 L 7.71 4.25 0.00 1.86 1.71 0.92 0.91 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 67 N 7.71 4.48 0.00 2.83 2.73 0.00 0.00 6.80 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