NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3019 8.3344 116.7971 56.9557 65.3395 173.0569 3 R 3.5730 7.9921 117.4535 57.1195 27.3606 170.1398 4 V 4.4853 7.3338 111.0908 59.3682 35.1899 176.7788 5 C 4.0863 8.2205 122.0013 60.6347 31.7297 175.9856 6 Q 3.8180 7.6467 124.6684 57.0055 29.1256 174.4731 7 V 4.0378 7.5990 114.6675 62.6035 32.3522 176.3479 8 T 4.4317 7.5308 106.8709 60.0288 69.6292 173.7585 9 G 3.8981 8.3659 108.5945 46.4652 0.0000 174.1734 10 K 4.0269 7.6095 119.1481 56.4973 30.8144 177.1704 11 R 4.3121 8.0798 123.3037 53.7998 31.7583 174.5491 12 P 5.0549 0.0000 0.0000 62.2708 31.9025 176.9171 13 V 4.1826 8.5181 118.3362 60.8980 33.6903 174.6216 14 T 4.9081 8.4276 115.6947 61.0398 70.0033 173.6359 15 G 4.4178 8.2298 112.4059 45.8844 0.0000 170.7274 16 N 5.5312 8.7762 116.7697 51.4516 41.4227 174.8772 17 N 4.2265 9.3290 120.5552 54.4912 39.1017 175.7877 18 R 4.2707 8.0263 115.8672 56.2543 28.4317 174.8284 19 S 4.3827 7.2666 114.4203 57.9621 65.1017 173.5258 20 H 4.1487 8.0368 118.5082 57.2416 29.8813 175.8967 21 A 3.4988 8.6570 121.1844 52.0020 16.1619 177.5535 22 L 3.6956 7.7070 113.9248 55.7189 39.9959 174.2121 23 N 4.4353 7.9630 117.0300 53.7374 39.2588 174.2086 24 A 4.5508 8.5949 126.3105 51.9994 20.0459 177.2471 25 T 4.3655 8.3825 118.6963 62.0951 71.8772 173.2667 26 K 4.4962 8.6628 126.1672 57.1285 32.5309 177.0192 27 R 4.2903 8.1134 121.8150 55.2822 34.5462 174.7936 28 R 4.5136 7.7299 112.7224 55.7144 31.6479 174.4690 29 F 4.6509 9.0349 121.8214 55.8688 40.2956 175.3170 30 L 4.5644 8.4336 124.2612 53.4007 43.1754 178.2678 31 P 4.7528 0.0000 0.0000 62.5252 30.2229 174.7631 32 N 4.7231 8.1763 115.3248 52.5490 41.7836 171.8053 33 L 3.8738 7.6111 121.8479 54.6189 41.5086 175.1662 34 H 4.6127 8.9480 114.1685 55.8183 32.3733 174.0840 35 S 3.7140 8.0286 109.4630 59.7134 60.8755 170.5096 36 H 4.5760 8.5295 126.5012 55.2895 32.1335 174.1660 37 R 4.4121 7.6172 122.5482 55.4297 29.8216 175.5295 38 F 5.0467 9.3964 124.2922 55.6369 41.4385 175.3384 39 W 5.1003 9.2452 134.1371 55.8745 30.1419 176.6994 40 V 3.4851 8.1741 120.6703 62.0182 31.3696 176.6718 41 E 2.5400 5.9000 123.9619 56.6692 29.5457 176.1568 42 S 3.8076 7.6784 111.8497 61.1296 62.9100 174.7641 43 E 4.0936 7.8343 118.8527 54.9834 29.7214 175.7454 44 K 3.4980 7.9242 117.6929 57.5498 31.2056 173.9792 45 R 4.7683 6.8061 115.8043 53.9533 32.5712 175.7177 46 F 5.8030 9.1756 130.3443 57.0065 37.1052 175.6426 47 V 4.0312 8.0845 114.4641 62.5769 33.1367 176.9632 48 T 5.4286 8.2788 117.6839 60.5801 70.7961 172.7412 49 L 4.5469 8.3029 123.8473 54.8056 44.2554 173.9898 50 R 4.4214 8.9105 120.9528 55.5724 30.6891 176.3435 51 V 4.6388 9.2212 123.6831 60.6661 30.8238 177.8970 52 S 5.6670 8.8610 119.5386 57.4059 63.4823 176.0624 53 A 4.1573 8.4039 127.1081 53.4527 18.6422 175.7092 54 K 4.1173 8.7897 122.9309 57.5984 31.6456 178.2846 55 G 3.7436 7.9316 106.8881 47.8543 0.0000 173.6451 56 M 4.2746 8.0539 119.6141 57.5427 33.0765 178.1313 57 R 4.0824 8.2335 118.1932 58.5433 29.9558 179.0881 58 V 3.5993 7.6636 118.2796 65.9748 31.6126 177.6830 59 I 3.5572 7.5564 119.3175 64.2423 36.5651 177.7863 60 D 4.4686 7.8836 118.2133 56.5450 41.3165 178.2104 61 K 4.1095 7.8060 118.5944 58.2179 32.2188 178.1697 62 K 4.3852 8.7470 117.8030 58.1795 33.4048 175.6606 63 G 3.8240 7.6141 106.7769 44.2681 0.0000 174.7829 64 I 3.1322 8.6849 126.4828 64.7014 37.0607 177.9545 65 D 4.1950 7.8593 118.8937 57.7728 40.7777 178.7057 66 T 4.0000 7.7538 114.1616 66.7561 68.0885 176.2806 67 V 3.7615 8.6567 121.6158 65.7385 31.8237 177.9840 68 L 3.6956 8.1795 118.7610 57.5297 41.1790 178.5279 69 A 3.8690 8.1192 119.8452 54.7933 18.7267 180.4985 70 E 4.4550 8.8208 116.3175 54.0462 29.8407 182.2894 71 L 3.2792 9.4883 118.7976 55.6937 43.7487 175.2667 72 R 4.4517 6.3270 116.7178 59.1432 30.6145 177.5886 73 A 4.1581 8.3661 119.1518 55.0614 18.4574 179.0320 74 R 4.0237 7.4863 115.2010 57.5984 30.1812 176.1409 75 G 4.1228 8.8276 106.1741 46.2229 0.0000 174.1574 76 E 3.8750 8.2654 119.3425 55.9459 30.7308 175.7339 77 K 3.7520 9.0071 122.6093 57.4720 31.8009 175.9804 78 Y 3.9609 8.8713 120.8854 57.5173 39.5749 168.4153 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 2 S 8.33 4.30 0.00 3.89 4.01 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 3 R 7.99 3.57 0.00 2.03 2.03 0.00 3.21 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 4 V 7.33 4.49 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 0.78 0.00 0.00 0.95 0.00 0.00 5 C 8.22 4.09 0.00 2.96 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 6 Q 7.65 3.82 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 7 V 7.60 4.04 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 0.86 0.00 0.00 0.84 0.00 0.00 8 T 7.53 4.43 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 9 G 8.37 3.90 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 0.00 0.00 0.00 10 K 7.61 4.03 0.00 1.85 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 11 R 8.08 4.31 0.00 1.81 1.88 0.00 3.21 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 12 P 0.00 5.05 0.00 2.11 2.11 0.00 3.38 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 13 V 8.52 4.18 2.16 0.00 0.00 0.00 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 1.04 0.00 0.00 14 T 8.43 4.91 4.28 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 1.26 0.00 0.00 15 G 8.23 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.78 5.53 0.00 2.61 2.71 0.00 0.00 6.79 8.00 0.00 0.00 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 N 9.33 4.23 0.00 2.63 2.87 0.00 0.00 7.16 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 18 R 8.03 4.27 0.00 1.86 1.91 0.00 3.08 0.00 0.00 3.94 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 19 S 7.27 4.38 0.00 4.06 4.04 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 0.00 0.00 0.00 20 H 8.04 4.15 0.00 3.28 3.27 0.00 5.93 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.66 3.50 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 3.70 0.00 1.75 1.77 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.96 4.44 0.00 2.68 2.77 0.00 0.00 6.93 7.73 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 24 A 8.59 4.55 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 25 T 8.38 4.37 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 1.20 0.00 0.00 26 K 8.66 4.50 0.00 1.62 1.77 0.00 2.05 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.42 7.81 27 R 8.11 4.29 0.00 1.55 1.57 0.00 2.21 0.00 0.00 2.54 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 28 R 7.73 4.51 0.00 1.90 1.88 0.00 2.98 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 29 F 9.03 4.65 0.00 2.99 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 30 L 8.43 4.56 0.00 1.66 1.61 0.92 1.11 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 31 P 0.00 4.75 0.00 2.05 1.88 0.00 3.64 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 2.16 2.25 0.00 32 N 8.18 4.72 0.00 2.69 2.73 0.00 0.00 6.86 7.85 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 33 L 7.61 3.87 0.00 1.69 1.62 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.95 4.61 0.00 3.15 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.03 3.71 0.00 4.09 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 36 H 8.53 4.58 0.00 3.24 2.89 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.62 4.41 0.00 1.30 1.38 0.00 2.26 0.00 0.00 2.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.00 38 F 9.40 5.05 0.00 3.28 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 39 W 9.25 5.10 0.00 3.05 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 40 V 8.17 3.49 1.94 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 0.72 0.00 0.00 0.76 0.00 0.00 41 E 5.90 2.54 0.00 1.61 1.65 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 0.00 2.34 2.38 0.00 42 S 7.68 3.81 0.00 3.92 3.89 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 43 E 7.83 4.09 0.00 1.95 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 2.30 2.26 0.00 44 K 7.92 3.50 0.00 1.76 1.81 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.65 7.81 45 R 6.81 4.77 0.00 2.12 1.77 0.00 3.18 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 46 F 9.18 5.80 0.00 3.33 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 47 V 8.08 4.03 2.38 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 0.92 0.00 0.00 1.23 0.00 0.00 48 T 8.28 5.43 4.28 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 1.28 0.00 0.00 49 L 8.30 4.55 0.00 1.80 1.82 1.15 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.91 4.42 0.00 1.76 1.98 0.00 3.21 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 51 V 9.22 4.64 2.24 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 1.20 0.00 0.00 1.30 0.00 0.00 52 S 8.86 5.67 0.00 4.15 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 53 A 8.40 4.16 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.79 4.12 0.00 1.95 1.88 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 55 G 7.93 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.27 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.68 0.00 57 R 8.23 4.08 0.00 2.07 1.98 0.00 3.19 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 58 V 7.66 3.60 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 1.04 0.00 0.00 0.98 0.00 0.00 59 I 7.56 3.56 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 0.32 0.00 0.00 60 D 7.88 4.47 0.00 2.79 2.75 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 61 K 7.81 4.11 0.00 1.79 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 62 K 8.75 4.39 0.00 1.78 1.77 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.40 7.81 63 G 7.61 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 0.00 0.00 0.00 64 I 8.68 3.13 1.80 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 1.74 0.43 0.80 0.00 0.00 65 D 7.86 4.20 0.00 2.62 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 66 T 7.75 4.00 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 1.17 0.00 0.00 67 V 8.66 3.76 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 0.85 0.00 0.00 0.83 0.00 0.00 68 L 8.18 3.70 0.00 1.65 1.30 0.70 -0.04 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 69 A 8.12 3.87 1.26 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 0.00 0.00 0.00 70 E 8.82 4.45 0.00 2.17 1.15 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 71 L 9.49 3.28 0.00 1.74 1.41 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.33 4.45 0.00 2.41 2.07 0.00 3.30 0.00 0.00 3.53 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 73 A 8.37 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.49 4.02 0.00 1.88 2.10 0.00 3.22 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 75 G 8.83 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 76 E 8.27 3.88 0.00 2.07 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 2.43 2.49 0.00 77 K 9.01 3.75 0.00 1.92 1.73 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.43 7.81 78 Y 8.87 3.96 0.00 3.09 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