NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5129 8.3044 120.3268 55.5157 33.7307 173.7543 2 Q 4.4031 8.4509 121.9779 56.2750 34.4585 175.0148 3 L 4.0684 7.8768 116.7612 57.6678 43.0527 178.9020 4 V 3.7871 7.6918 118.5738 64.2598 31.6248 178.1265 5 L 3.9127 7.8629 120.6549 57.8914 41.8394 178.5522 6 A 4.1914 8.0119 120.1488 54.9255 18.3906 179.1090 7 A 4.0665 7.6423 117.3553 54.2823 18.3401 179.7982 8 K 3.8526 7.7281 117.6196 59.2407 31.8930 178.8539 9 Y 4.2460 7.4742 116.4976 60.6739 37.6542 177.8213 10 I 3.8776 7.6819 121.0238 64.2786 36.6965 178.6348 11 G 3.3456 8.1531 105.8533 47.0915 0.0000 175.5747 12 A 4.1972 7.5708 122.8801 54.6149 18.3471 179.4973 13 G 3.4522 7.7709 102.9902 46.8636 0.0000 175.3466 14 I 4.1374 7.2636 121.7403 63.2172 37.1852 177.6178 15 S 4.3622 7.7415 113.4530 60.2323 63.0101 175.9781 16 T 3.7605 7.3465 112.3582 64.2535 68.6722 176.7827 17 I 3.8993 7.7059 123.2113 63.8968 36.8670 177.6833 18 G 3.8745 7.4513 104.1215 45.8423 0.0000 174.4803 19 L 4.4493 7.6100 120.6919 55.0988 41.9613 178.3621 20 L 4.1489 7.7988 121.2821 57.4985 41.6393 179.3985 21 G 3.6612 8.1838 105.0475 47.1302 0.0000 174.9674 22 A 4.4080 7.8840 122.7480 53.7605 18.7169 179.8816 23 G 3.5146 7.8044 104.1315 48.2335 0.0000 175.9720 24 I 3.8402 7.9268 123.1083 63.3731 37.3910 178.3853 25 G 3.9843 7.9726 107.5824 47.5616 0.0000 175.6001 26 I 3.8943 7.7775 121.9260 63.3294 37.0557 178.5809 27 A 4.0274 7.5228 121.5726 55.3401 18.3493 179.7509 28 I 3.6956 7.7077 118.1154 64.5192 36.9455 178.8967 29 V 3.6146 7.5363 117.6785 65.9968 31.3190 177.5444 30 F 4.0247 8.5785 120.1895 60.8877 39.2590 177.2104 31 A 4.1129 8.6705 120.8140 54.9578 18.0965 179.4661 32 A 3.9775 8.0283 119.4559 55.1777 18.5435 179.6075 33 L 3.8419 7.6146 118.5911 58.1737 40.8655 179.3570 34 I 3.8166 7.5544 119.5758 64.2700 36.0355 177.6484 35 N 4.6398 8.4155 117.8961 56.1284 38.2031 177.1811 36 G 3.8298 8.1750 107.5313 47.2350 0.0000 175.3357 37 V 4.1247 7.4959 111.4835 61.7509 31.8003 177.3397 38 S 4.5727 7.4438 111.6448 59.1687 63.9165 175.4923 39 R 4.6350 7.2034 116.4660 55.6061 31.7192 176.5909 40 N 4.9540 7.6181 116.2182 51.8879 40.3374 172.6169 41 P 4.0264 0.0000 0.0000 64.5565 31.6959 178.2741 42 S 3.9650 7.0527 113.6539 61.5723 62.4667 174.5234 43 I 3.8957 7.4882 129.6118 61.5016 36.5131 174.7328 44 K 4.4154 8.4971 124.1675 58.2462 33.9091 177.8339 45 D 4.5677 8.1136 114.2178 54.9830 39.9419 176.9141 46 T 4.4539 7.8900 117.7433 64.4185 71.2147 176.2266 47 V 3.9421 7.6606 119.4676 64.7092 31.6685 177.6739 48 F 3.8443 8.2522 121.0330 60.5344 38.8511 175.3252 49 P 4.4011 0.0000 0.0000 66.2421 31.3564 178.2951 50 M 4.0804 7.6341 113.6465 57.6976 30.8677 178.2829 51 A 3.8902 7.8141 121.2712 55.1699 18.8891 179.3697 52 I 3.7970 7.4762 118.2107 64.3763 36.9568 178.6380 53 L 4.1725 7.7006 119.7170 57.7775 41.4579 179.7856 54 G 3.7508 8.1304 105.1470 47.1480 0.0000 175.6838 55 F 4.2433 8.0867 122.7033 61.4985 39.3101 177.1477 56 A 3.7605 8.0143 118.2054 54.8434 18.3537 179.1196 57 L 4.0640 7.5601 116.5474 57.7427 40.6203 179.0738 58 S 4.2207 7.9942 112.2263 60.0197 62.6139 175.3059 59 E 3.7592 8.1517 121.7213 57.9493 29.1291 178.1819 60 A 3.6573 7.3354 121.0726 55.7067 18.0481 179.7052 61 T 4.0991 7.5738 108.1863 64.3367 68.4663 175.6751 62 G 3.7334 7.5798 106.0394 45.0699 0.0000 174.3987 63 L 4.4448 7.6667 121.0574 56.3618 43.1384 178.4514 64 F 4.3451 7.4872 116.9399 61.1286 38.7908 177.5386 65 C 4.3080 7.6010 114.0617 62.2846 28.1859 175.5936 66 L 4.0790 7.7628 122.0232 58.1576 41.8866 178.5052 67 M 4.4863 8.3765 118.8913 58.1657 31.6757 178.8250 68 V 3.6955 7.6144 117.8948 65.8476 31.7982 177.9252 69 S 4.1645 7.5996 113.5426 61.3169 62.8994 176.4834 70 F 4.5606 7.8597 120.6839 59.7888 38.7604 176.5341 71 L 4.4556 7.9050 117.0832 54.9623 41.1959 177.7359 72 L 4.7637 7.7205 117.3634 53.8825 43.9480 176.7703 73 L 4.3167 7.9818 115.9662 55.8225 43.5497 177.4164 74 F 5.1868 8.2319 113.3456 56.8647 41.0305 175.3785 75 G 3.8547 8.2255 107.3783 44.7281 0.0000 173.4458 76 V 3.6726 5.4500 122.0600 63.3056 33.0308 170.6903 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 M 8.30 4.51 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 Q 8.45 4.40 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 3 L 7.88 4.07 0.00 1.65 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.69 3.79 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 0.83 0.00 0.00 0.90 0.00 0.00 5 L 7.86 3.91 0.00 1.75 1.86 0.86 1.24 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 6 A 8.01 4.19 1.39 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 0.00 0.00 7 A 7.64 4.07 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 8 K 7.73 3.85 0.00 1.33 1.76 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.56 7.81 9 Y 7.47 4.25 0.00 2.99 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 10 I 7.68 3.88 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.09 0.92 0.00 0.00 11 G 8.15 3.35 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 0.00 12 A 7.57 4.20 1.40 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 0.00 0.00 0.00 13 G 7.77 3.45 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 0.00 14 I 7.26 4.14 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.90 0.00 0.00 15 S 7.74 4.36 0.00 4.06 4.09 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 0.00 0.00 0.00 0.00 16 T 7.35 3.76 4.21 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 1.19 0.00 0.00 17 I 7.71 3.90 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.91 0.00 0.00 18 G 7.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.45 0.00 1.86 1.70 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 4.15 0.00 1.65 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.18 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.88 4.41 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.80 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.84 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.92 0.00 0.00 25 G 7.97 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 26 I 7.78 3.89 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.27 0.00 0.00 27 A 7.52 4.03 1.46 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 28 I 7.71 3.70 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.27 0.93 0.00 0.00 29 V 7.54 3.61 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 1.00 0.00 0.00 30 F 8.58 4.02 0.00 3.30 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 31 A 8.67 4.11 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 32 A 8.03 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.61 3.84 0.00 1.48 1.53 0.81 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.55 3.82 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.04 0.96 0.00 0.00 35 N 8.42 4.64 0.00 2.79 2.82 0.00 0.00 7.12 8.70 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 36 G 8.17 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.50 4.12 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 0.85 0.00 0.00 1.02 0.00 0.00 38 S 7.44 4.57 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.20 4.63 0.00 1.77 2.00 0.00 3.19 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 40 N 7.62 4.95 0.00 2.79 2.64 0.00 0.00 6.80 7.59 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 41 P 0.00 4.03 0.00 2.22 2.18 0.00 3.84 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 1.96 0.00 42 S 7.05 3.97 0.00 3.67 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 43 I 7.49 3.90 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.92 0.00 0.00 44 K 8.50 4.42 0.00 1.75 1.72 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.48 7.81 45 D 8.11 4.57 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.45 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 1.22 0.00 0.00 47 V 7.66 3.94 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 1.00 0.00 0.00 0.94 0.00 0.00 48 F 8.25 3.84 0.00 3.25 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 49 P 0.00 4.40 0.00 2.35 2.36 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 50 M 7.63 4.08 0.00 2.31 2.36 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 2.58 2.69 0.00 51 A 7.81 3.89 1.07 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 0.00 0.00 52 I 7.48 3.80 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.21 0.99 0.00 0.00 53 L 7.70 4.17 0.00 1.90 1.74 0.94 0.90 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 54 G 8.13 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 0.00 0.00 0.00 55 F 8.09 4.24 0.00 3.15 3.38 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 0.00 0.00 0.00 0.00 56 A 8.01 3.76 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 57 L 7.56 4.06 0.00 1.90 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.99 4.22 0.00 3.92 3.83 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 0.00 0.00 0.00 59 E 8.15 3.76 0.00 1.28 1.61 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 1.93 2.11 0.00 60 A 7.34 3.66 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 4.10 4.29 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 1.28 0.00 0.00 62 G 7.58 3.73 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 0.00 0.00 0.00 63 L 7.67 4.44 0.00 1.25 1.42 0.69 1.07 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 64 F 7.49 4.35 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 65 C 7.60 4.31 0.00 2.83 3.24 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 66 L 7.76 4.08 0.00 1.92 1.83 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.38 4.49 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.66 0.00 68 V 7.61 3.70 2.23 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 0.85 0.00 0.00 1.07 0.00 0.00 69 S 7.60 4.16 0.00 3.98 3.92 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 70 F 7.86 4.56 0.00 3.33 3.20 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 0.00 0.00 0.00 0.00 71 L 7.91 4.46 0.00 1.90 1.71 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.72 4.76 0.00 1.57 1.73 0.91 0.80 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 73 L 7.98 4.32 0.00 1.13 0.91 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.23 5.19 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.23 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 5.45 3.67 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 0.67 0.00 0.00 0.90 0.00 0.00