NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 L 4.3482 8.0433 120.6290 54.4297 44.1710 178.7119 -2 P 4.0367 0.0000 0.0000 65.1359 31.6514 177.0410 -1 A 4.0004 8.2729 119.8709 55.1164 19.1836 178.8882 0 R 3.9883 7.7470 116.7352 60.4207 29.9186 177.6797 1 V 3.7308 7.9501 118.4014 65.4399 31.2170 177.7305 2 G 3.7789 8.0530 104.5407 47.9878 0.0000 175.1019 3 L 4.1122 8.5075 121.5292 57.5891 41.6873 179.7488 4 G 3.6753 8.5124 105.9452 47.8453 0.0000 175.7565 5 I 3.8827 7.9165 122.4196 64.6360 37.1448 178.6249 6 T 3.5854 8.2999 116.8157 66.9217 68.2163 176.5334 7 T 3.8409 8.0099 115.0526 65.1219 67.4259 176.3968 8 V 3.6124 7.8451 120.2050 66.0397 31.7162 177.7527 9 L 4.1330 8.6466 120.9750 57.3885 41.3789 179.4805 10 T 3.8127 8.1672 113.1138 65.3031 67.3173 176.1769 11 L 4.0100 7.8125 120.7286 58.0239 41.2071 179.5069 12 T 3.8261 8.3376 116.1067 66.9500 68.1270 176.7204 13 T 3.6078 7.4043 115.9113 66.5168 68.7847 176.9755 14 Q 4.0409 8.2962 120.2077 59.1064 28.7591 178.4548 15 S 4.1936 8.5433 116.6595 61.9267 62.7192 177.3077 16 S 4.2096 7.3620 115.2542 60.2812 63.3845 175.5724 17 G 3.9831 7.7703 110.4429 46.0308 0.0000 175.8970 18 S 4.2287 8.0727 114.5491 60.8292 63.9304 175.8148 19 R 3.9677 7.8737 118.7321 58.5410 30.2513 177.7020 20 A 4.0915 8.1232 119.7029 54.5172 18.4725 176.5984 21 S 4.3132 8.1597 113.2254 58.9995 67.9145 176.1697 22 L 3.6252 7.6817 117.9932 55.5120 40.2152 172.8852 23 P 4.3839 0.0000 0.0000 64.2662 32.4131 176.6064 24 K 4.3581 7.7030 124.8242 55.8325 35.7148 176.9787 25 V 3.5986 7.5386 119.6901 65.5402 31.4809 177.8146 26 S 4.2110 8.1108 112.1938 61.1810 62.2365 175.3593 27 Y 4.2853 7.9191 122.2327 60.4749 38.4740 177.4009 28 V 3.4018 7.6862 118.0616 65.9536 31.8544 177.6751 29 K 4.0425 8.0547 119.0574 59.1965 31.7827 178.3351 30 A 4.6623 8.0969 122.6118 54.0976 19.2854 177.7168 31 I 3.8491 7.3765 119.3021 58.1011 34.8889 175.6996 32 D 5.4828 7.1282 134.4050 55.0104 40.8406 178.9790 33 I 3.9347 7.0426 119.4398 63.4790 38.0062 177.7823 34 W 4.1204 7.9401 117.2260 59.1492 28.0224 178.2340 35 L 2.7531 6.8767 119.0105 57.2316 40.5750 179.0117 36 A 3.6165 7.2858 120.1995 54.5975 18.1398 179.8237 37 V 3.2061 7.0920 110.0379 63.8329 32.3140 177.9403 38 C 4.1542 8.6688 119.3896 62.3646 31.3964 175.6250 39 L 3.6774 8.6763 121.3669 57.7395 41.2080 179.5127 40 L 4.0059 7.2991 118.4136 57.7941 41.6255 179.7083 41 F 4.1992 9.0710 118.1369 60.5990 38.8378 177.9481 42 V 3.7431 8.1240 117.7539 66.1081 31.3469 177.9309 43 F 4.1163 8.7311 117.4763 60.9573 38.8397 177.8911 44 S 4.1958 8.5369 114.4657 61.4695 62.5608 176.7605 45 A 4.0454 8.2634 123.4876 55.1729 18.1085 179.6965 46 L 3.9908 8.2452 117.7550 58.0532 41.8673 179.8469 47 L 4.0658 8.4183 119.2957 57.2261 41.2026 179.5039 48 E 3.9907 7.9817 117.4589 59.6932 29.8541 178.3425 49 Y 4.0570 8.1407 120.7814 60.0643 39.0199 177.3587 50 A 3.9740 8.5878 121.8378 55.0149 18.2729 179.2702 51 A 4.2473 7.9175 119.0707 54.6292 18.7052 179.7332 52 V 3.1254 7.6469 118.1967 65.3622 30.7146 178.2589 53 N 4.3550 7.6042 115.0459 55.3223 38.7894 176.9243 54 F 4.4698 7.7313 120.9730 61.5560 39.6911 176.9079 55 V 3.3028 8.5231 112.0840 62.9330 31.7435 177.0006 56 S 4.2825 8.1672 110.8861 58.3752 60.3462 171.4064 57 R 4.0621 7.9408 120.0213 56.3919 29.1914 176.2789 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 L 8.04 4.35 0.00 1.73 1.78 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 -2 P 0.00 4.04 0.00 2.26 2.10 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 -1 A 8.27 4.00 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 0 R 7.75 3.99 0.00 1.95 2.19 0.00 3.16 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 1 V 7.95 3.73 2.27 0.00 0.00 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 0.00 0.00 0.99 0.00 0.00 2 G 8.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.51 4.11 0.00 1.91 1.74 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.51 3.68 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 0.00 0.00 0.00 5 I 7.92 3.88 2.05 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.10 1.09 0.00 0.00 6 T 8.30 3.59 4.44 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 1.23 0.00 0.00 7 T 8.01 3.84 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 8 V 7.85 3.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 1.26 0.00 0.00 9 L 8.65 4.13 0.00 1.85 1.74 0.97 -0.17 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 10 T 8.17 3.81 4.44 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 1.29 0.00 0.00 11 L 7.81 4.01 0.00 1.93 1.72 0.94 0.76 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 12 T 8.34 3.83 4.36 0.00 0.00 0.00 0.00 0.00 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 13 T 7.40 3.61 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 14 Q 8.30 4.04 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 15 S 8.54 4.19 0.00 4.06 4.08 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 0.00 0.00 0.00 0.00 16 S 7.36 4.21 0.00 2.98 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 17 G 7.77 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 18 S 8.07 4.23 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.87 3.97 0.00 1.76 1.98 0.00 3.15 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 20 A 8.12 4.09 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 21 S 8.16 4.31 0.00 3.77 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 22 L 7.68 3.63 0.00 2.18 1.64 1.28 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.38 0.00 2.23 2.17 0.00 3.90 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 2.01 1.97 0.00 24 K 7.70 4.36 0.00 1.96 2.05 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.29 7.81 25 V 7.54 3.60 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 1.00 0.00 0.00 0.95 0.00 0.00 26 S 8.11 4.21 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.92 4.29 0.00 3.07 3.19 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 28 V 7.69 3.40 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 0.77 0.00 0.00 1.02 0.00 0.00 29 K 8.05 4.04 0.00 1.90 1.81 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 30 A 8.10 4.66 1.79 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 0.00 0.00 31 I 7.38 3.85 1.59 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.65 0.00 0.00 32 D 7.13 5.48 0.00 2.81 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 I 7.04 3.93 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 1.62 1.30 1.10 0.00 0.00 34 W 7.94 4.12 0.00 3.54 3.50 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 35 L 6.88 2.75 0.00 1.12 1.27 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.29 3.62 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.09 3.21 1.20 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 0.79 0.00 0.00 38 C 8.67 4.15 0.00 3.15 2.69 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 0.00 0.00 0.00 0.00 39 L 8.68 3.68 0.00 1.44 1.12 0.67 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.30 4.01 0.00 2.10 1.91 0.88 1.17 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 41 F 9.07 4.20 0.00 3.10 3.15 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 0.00 0.00 0.00 42 V 8.12 3.74 2.46 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 1.20 0.00 0.00 1.10 0.00 0.00 43 F 8.73 4.12 0.00 3.20 3.13 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 0.00 0.00 0.00 0.00 44 S 8.54 4.20 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 45 A 8.26 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 3.99 0.00 1.79 1.71 0.81 0.91 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 47 L 8.42 4.07 0.00 1.92 1.74 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.98 3.99 0.00 2.15 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 0.00 2.33 2.63 0.00 49 Y 8.14 4.06 0.00 3.17 3.09 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 50 A 8.59 3.97 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 51 A 7.92 4.25 1.51 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 52 V 7.65 3.13 1.48 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 -0.80 0.00 0.00 0.82 0.00 0.00 53 N 7.60 4.36 0.00 2.88 2.89 0.00 0.00 6.57 7.19 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 54 F 7.73 4.47 0.00 2.91 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 55 V 8.52 3.30 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 0.62 0.00 0.00 0.94 0.00 0.00 56 S 8.17 4.28 0.00 3.91 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 57 R 7.94 4.06 0.00 1.93 1.87 0.00 3.11 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00