NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1267 8.3101 121.7878 56.4382 34.0546 175.5356 20 A 4.0235 7.4729 116.3124 51.2181 19.8522 173.0769 21 K 4.3196 8.2200 121.1297 55.5724 33.5709 176.4737 22 V 3.3876 8.0803 123.7971 65.9609 31.1368 177.4895 23 K 3.9883 7.7797 117.3320 59.8835 32.2398 177.8564 24 A 4.2819 8.0880 120.5015 54.8833 18.5157 179.2152 25 T 4.0959 7.6179 112.0920 64.2366 68.8791 174.5173 26 L 4.8600 7.0416 119.5439 52.6563 45.6471 177.2380 27 G 4.0532 8.4510 118.1346 45.5814 0.0000 175.3970 28 E 4.1139 8.8510 126.5818 55.8493 28.6045 175.8257 29 F 4.9426 7.8689 120.1293 54.6081 40.8797 175.4060 30 D 4.4516 8.5576 123.3323 53.4243 39.5454 176.1837 31 L 4.3868 8.0172 123.3776 56.4801 40.6986 177.8779 32 R 4.3005 8.0730 118.8905 56.3665 30.2900 175.2410 33 D 4.5643 7.7745 116.3927 53.7658 42.4448 175.4097 34 Y 4.7410 7.3159 119.2026 56.8287 39.1457 176.2408 35 R 4.5549 7.6860 117.7118 56.2740 32.0274 176.3211 36 N 4.7524 7.4548 116.2832 51.5562 36.4085 176.5039 37 V 3.6689 7.7211 114.1951 65.3007 31.8186 177.9660 38 E 3.8648 8.0557 117.7248 59.2307 29.7771 178.3808 39 V 3.5945 7.7232 117.5245 66.2190 31.5659 177.8411 40 L 4.3513 7.9042 118.1058 57.7867 39.8353 179.3978 41 K 3.9417 8.2071 119.6607 59.5008 31.9199 178.4263 42 R 3.5127 7.4868 115.7109 57.3707 30.1010 177.6700 43 F 4.6546 8.0993 118.3957 59.0600 39.7624 177.3318 44 L 4.6192 7.6454 115.6622 53.7261 41.3912 178.5373 45 S 3.7724 7.5988 114.7428 58.9729 63.8611 171.4184 46 E 4.8195 8.5068 113.6753 56.0992 29.9577 176.3413 47 T 4.5667 7.8614 106.3270 61.0675 72.7741 175.2977 48 G 4.1512 7.7338 107.0687 45.0223 0.0000 173.5966 49 K 4.3348 7.8462 119.9806 55.2132 33.1350 176.8005 50 I 4.0333 8.2727 124.4113 60.4647 35.0781 174.4443 51 L 3.7962 8.0065 122.6760 53.1384 42.6672 175.9154 52 P 4.4301 0.0000 0.0000 62.7187 31.8714 177.2921 53 R 4.0650 8.3972 118.2647 58.7211 30.1911 177.8583 54 R 4.4731 7.9137 115.1602 56.3863 30.0778 176.9641 55 R 4.5356 8.0722 117.4711 57.4224 33.1461 177.9015 56 T 3.9695 8.1680 107.8188 63.3432 69.7811 173.4264 57 G 3.8646 8.1707 108.4731 45.6502 0.0000 171.0827 58 L 4.8691 7.2403 117.7080 52.2122 46.6452 177.1897 59 S 4.4194 8.6153 112.9345 57.7655 64.0382 174.2167 60 A 4.0426 8.5040 127.0748 55.2998 17.5851 180.0566 61 K 3.9947 7.9649 117.5875 59.3961 32.3380 178.9181 62 E 3.7907 7.8871 118.5601 59.2966 29.6804 178.4252 63 Q 3.9518 8.5970 119.8974 59.5244 28.8966 178.7909 64 R 3.8951 7.6537 117.7302 59.2042 30.4209 178.9425 65 I 3.7453 7.3516 112.0211 63.4863 37.3728 177.2372 66 L 4.0072 7.6988 122.8418 57.5901 41.9064 178.0718 67 A 3.9926 8.2751 120.5052 54.9801 18.2782 179.2303 68 K 3.7532 8.2767 118.6493 60.3093 32.2182 179.0820 69 T 3.9970 7.5570 108.5274 64.6360 68.8894 176.1904 70 I 3.5860 8.0636 123.1319 64.4639 36.9341 178.0807 71 K 3.7305 8.1677 118.6195 59.6408 32.3067 178.9846 72 R 4.0267 7.6722 118.0331 59.5902 29.9600 178.8168 73 A 4.0376 7.9947 120.0084 55.3186 18.1788 179.8292 74 R 4.6779 7.4521 116.2397 58.6298 30.3279 179.0045 75 I 4.1993 7.6957 119.9329 63.9992 37.0531 177.5231 76 L 4.4000 7.5340 115.9170 54.8805 41.4821 178.3464 77 G 4.0584 8.0472 107.9849 45.6494 0.0000 175.0930 78 L 3.9488 6.9959 119.1868 57.4144 41.9163 177.4890 79 L 4.1328 7.8278 119.2044 54.2782 42.9158 175.6253 80 P 4.8631 0.0000 0.0000 62.7835 32.3009 175.9351 81 F 4.4488 8.6462 116.3684 59.3653 40.4142 176.8440 82 T 4.7956 7.5921 113.4918 62.3676 72.1724 173.0186 83 E 4.8523 8.5602 123.1514 53.9391 32.6529 175.9351 84 K 4.0601 8.6390 121.1139 56.2115 32.8407 176.3804 85 L 3.8677 8.6226 126.8775 55.1937 42.0281 177.1447 86 V 3.8186 8.1905 120.2168 60.4793 32.2820 175.1900 87 R 3.7543 8.5482 119.8363 56.9308 29.8365 176.2078 88 K 4.1753 8.6394 123.2480 57.1981 32.7205 176.6999 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 19 K 8.31 4.13 0.00 1.71 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.47 4.02 1.21 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 0.00 0.00 21 K 8.22 4.32 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.37 7.81 22 V 8.08 3.39 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 0.10 0.00 0.00 0.88 0.00 0.00 23 K 7.78 3.99 0.00 2.13 1.93 0.00 1.91 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.62 7.81 24 A 8.09 4.28 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 25 T 7.62 4.10 4.11 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 1.14 0.00 0.00 26 L 7.04 4.86 0.00 1.57 1.32 0.34 0.64 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 27 G 8.45 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 28 E 8.85 4.11 0.00 1.95 1.95 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 2.28 2.25 0.00 29 F 7.87 4.94 0.00 3.15 2.98 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 30 D 8.56 4.45 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.39 0.00 1.90 1.89 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.07 4.30 0.00 1.78 2.01 0.00 3.22 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 33 D 7.77 4.56 0.00 2.77 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 34 Y 7.32 4.74 0.00 3.01 3.05 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 35 R 7.69 4.55 0.00 1.81 2.03 0.00 3.24 0.00 0.00 3.43 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 36 N 7.45 4.75 0.00 2.87 3.01 0.00 0.00 6.87 7.55 0.00 0.00 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 7.72 3.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 38 E 8.06 3.86 0.00 1.93 1.95 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 2.27 2.39 0.00 39 V 7.72 3.59 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 0.54 0.00 0.00 0.86 0.00 0.00 40 L 7.90 4.35 0.00 1.83 1.78 1.00 0.70 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 41 K 8.21 3.94 0.00 2.07 1.88 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.49 7.81 42 R 7.49 3.51 0.00 1.49 1.42 0.00 3.04 0.00 0.00 3.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 43 F 8.10 4.65 0.00 3.30 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 44 L 7.65 4.62 0.00 1.84 1.67 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.60 3.77 0.00 4.12 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 4.82 0.00 1.94 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 0.00 2.19 2.18 0.00 47 T 7.86 4.57 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 48 G 7.73 4.15 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 0.00 0.00 0.00 49 K 7.85 4.33 0.00 1.81 1.74 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.41 7.81 50 I 8.27 4.03 1.87 0.00 0.00 0.81 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 0.70 0.90 0.00 0.00 51 L 8.01 3.80 0.00 1.87 1.67 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.43 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 53 R 8.40 4.07 0.00 1.88 1.99 0.00 3.22 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 54 R 7.91 4.47 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 55 R 8.07 4.54 0.00 1.99 1.89 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 56 T 8.17 3.97 4.53 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 0.00 0.00 0.00 1.49 0.00 0.00 57 G 8.17 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.24 4.87 0.00 1.61 1.64 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.62 4.42 0.00 3.92 3.79 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 60 A 8.50 4.04 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 61 K 7.96 3.99 0.00 1.82 1.80 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 7.89 3.79 0.00 2.23 1.95 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 2.36 2.34 0.00 63 Q 8.60 3.95 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 64 R 7.65 3.90 0.00 1.92 1.94 0.00 3.18 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 1.74 0.00 65 I 7.35 3.75 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 0.89 0.00 0.00 66 L 7.70 4.01 0.00 1.71 1.75 0.26 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.28 3.99 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 68 K 8.28 3.75 0.00 2.01 1.98 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 69 T 7.56 4.00 4.46 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 1.32 0.00 0.00 70 I 8.06 3.59 1.92 0.00 0.00 0.76 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 1.20 0.85 0.00 0.00 71 K 8.17 3.73 0.00 1.65 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.60 7.81 72 R 7.67 4.03 0.00 1.99 1.94 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 73 A 7.99 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.68 0.00 1.55 1.37 0.00 2.91 0.00 0.00 2.67 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 75 I 7.70 4.20 2.05 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 1.64 1.22 0.93 0.00 0.00 76 L 7.53 4.40 0.00 1.60 1.68 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.05 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.00 3.95 0.00 1.79 1.59 1.05 1.44 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 79 L 7.83 4.13 0.00 1.75 1.54 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.86 0.00 2.07 2.06 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 81 F 8.65 4.45 0.00 2.97 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 82 T 7.59 4.80 4.32 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 1.25 0.00 0.00 83 E 8.56 4.85 0.00 1.98 1.91 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 2.28 2.26 0.00 84 K 8.64 4.06 0.00 1.67 1.81 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.40 7.81 85 L 8.62 3.87 0.00 1.59 1.62 0.92 1.01 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 86 V 8.19 3.82 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 0.73 0.00 0.00 0.93 0.00 0.00 87 R 8.55 3.75 0.00 1.76 1.90 0.00 3.40 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 88 K 8.64 4.18 0.00 1.90 1.78 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.43 7.81