NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3056 8.2644 123.5820 52.1018 19.8088 175.7024 2 V 4.3126 7.9621 121.4460 58.6604 34.9516 172.5966 3 Q 4.3083 9.2790 122.7795 56.4383 29.8603 175.3686 4 Q 4.6002 8.3827 114.1102 55.6679 31.0404 175.9404 5 N 4.7981 7.8862 114.2740 51.0654 42.4739 173.0941 6 K 3.8250 8.8341 124.2206 55.9481 31.9751 174.2217 7 P 4.1609 0.0000 0.0000 63.0563 31.8705 177.0567 8 T 3.9123 8.6153 117.4661 62.2871 69.0985 174.2116 9 R 3.9029 8.7051 124.1680 59.8019 29.1366 178.5765 10 S 4.0122 8.1122 113.1213 61.1039 62.0926 175.6264 11 K 3.7775 8.0820 120.1469 59.8567 32.0430 177.6035 12 R 4.0692 7.7952 118.0968 59.7451 29.8507 178.3032 13 G 3.7164 8.0471 104.7162 48.3982 0.0000 175.1629 14 M 4.0943 7.8599 119.8484 57.9759 31.9658 178.3307 15 R 4.1262 7.7840 117.6383 58.3038 30.3295 177.5958 16 R 4.3016 8.2013 116.8156 56.3824 30.1227 177.8839 17 S 3.9907 8.3558 111.2736 62.8542 62.6084 174.6546 18 H 4.3149 8.4225 121.4465 58.0553 29.4648 177.4165 19 D 4.5977 7.5321 115.2649 54.6462 39.7635 176.2354 20 A 4.3954 7.9574 123.9696 51.3429 19.9394 177.1808 21 L 4.6693 8.0173 119.1373 53.6182 43.9210 175.9407 22 T 4.7409 7.8705 112.4251 60.1376 71.3353 175.3488 23 A 4.6858 8.1195 133.2378 51.8764 17.8299 179.5638 24 V 4.3923 8.2742 109.6370 62.8031 34.5342 174.8998 25 T 3.4226 8.8581 107.9765 62.1053 67.5088 170.2909 26 S 3.8497 7.4620 120.3704 58.5816 63.7978 172.3808 27 L 4.8772 8.1052 122.3668 55.7983 43.2282 173.8159 28 S 4.9860 8.5447 112.3461 56.5417 66.9009 173.5809 29 V 4.7733 8.0986 119.2602 58.6671 33.2314 175.0760 30 D 4.4172 8.7855 125.1109 54.4645 41.5028 176.6590 31 K 4.1595 8.6157 122.2729 59.6758 32.7432 179.7560 32 T 4.0610 7.8867 115.0273 66.1787 68.6192 174.1346 33 S 4.5700 7.3750 113.0221 56.8644 65.8296 174.6790 34 G 3.6997 8.6224 114.7300 45.3896 0.0000 172.6337 35 E 4.4669 8.1977 122.3138 54.2106 32.1297 174.0138 36 K 4.1843 8.7679 124.4066 57.3289 32.4127 175.1600 37 H 5.1060 8.9726 123.1713 53.1210 32.0892 172.7672 38 L 4.1837 8.4091 122.7403 54.8055 43.1953 176.4581 39 R 3.8638 8.5349 124.9148 58.4963 30.4185 176.6258 40 H 4.5324 10.3662 117.8634 56.1879 26.4882 174.2827 41 H 3.8162 8.3324 112.7381 55.2031 31.2005 174.6509 42 I 3.2891 6.9774 120.2995 60.3777 36.0107 175.4314 43 T 4.3795 9.1437 116.8878 60.9774 70.3948 175.1812 44 A 4.4700 7.6520 123.3130 52.6249 17.5626 177.4501 45 D 4.5192 7.9819 123.8001 54.8345 46.3732 177.2822 46 G 4.4073 7.7564 104.8566 45.3992 0.0000 172.2640 47 Y 4.7989 8.9355 119.4531 57.2724 40.7795 175.3331 48 Y 5.2526 8.8691 124.6937 58.5449 44.0914 175.1765 49 R 4.2484 9.9190 113.4323 54.5273 31.5034 177.5903 50 G 4.1367 8.9796 106.0377 47.2422 0.0000 171.9708 51 R 3.5725 8.1536 116.8776 57.3562 31.3388 177.5082 52 K 4.1538 7.6311 109.2519 56.0306 33.8239 175.2155 53 V 3.6749 8.3625 116.7690 61.6323 32.5508 173.0940 54 I 3.6824 8.4235 129.6240 61.1713 37.0716 174.1519 55 A 4.1567 8.5832 129.1301 53.8197 20.2439 177.3095 56 K 4.5952 8.3704 114.0595 57.6106 34.3532 174.3037 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 A 8.26 4.31 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 2 V 7.96 4.31 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 0.86 0.00 0.00 0.93 0.00 0.00 3 Q 9.28 4.31 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 4 Q 8.38 4.60 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 5 N 7.89 4.80 0.00 2.63 2.66 0.00 0.00 6.85 7.61 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 6 K 8.83 3.83 0.00 1.71 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 7 P 0.00 4.16 0.00 2.07 2.01 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 8 T 8.62 3.91 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 1.22 0.00 0.00 9 R 8.71 3.90 0.00 2.07 2.20 0.00 3.04 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 10 S 8.11 4.01 0.00 3.90 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 11 K 8.08 3.78 0.00 1.76 2.06 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.58 7.81 12 R 7.80 4.07 0.00 1.93 2.19 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 13 G 8.05 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.86 4.09 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.56 0.00 15 R 7.78 4.13 0.00 1.79 2.12 0.00 3.24 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 16 R 8.20 4.30 0.00 1.98 1.93 0.00 3.20 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 17 S 8.36 3.99 0.00 4.04 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.42 4.31 0.00 3.20 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.53 4.60 0.00 2.76 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 20 A 7.96 4.40 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 21 L 8.02 4.67 0.00 1.63 1.61 0.92 0.73 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 22 T 7.87 4.74 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 23 A 8.12 4.69 1.12 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 24 V 8.27 4.39 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 0.84 0.00 0.00 0.96 0.00 0.00 25 T 8.86 3.42 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 26 S 7.46 3.85 0.00 4.17 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 L 8.11 4.88 0.00 1.78 1.54 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.54 4.99 0.00 3.89 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 29 V 8.10 4.77 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 0.94 0.00 0.00 0.95 0.00 0.00 30 D 8.79 4.42 0.00 2.53 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 31 K 8.62 4.16 0.00 1.86 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.43 7.81 32 T 7.89 4.06 4.54 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 0.00 0.00 0.00 1.44 0.00 0.00 33 S 7.38 4.57 0.00 3.63 3.21 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 34 G 8.62 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.20 4.47 0.00 2.07 1.93 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 2.21 2.17 0.00 36 K 8.77 4.18 0.00 1.77 1.83 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 37 H 8.97 5.11 0.00 3.27 3.49 0.00 5.32 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.41 4.18 0.00 1.77 1.72 0.97 0.98 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 39 R 8.53 3.86 0.00 1.85 2.01 0.00 3.60 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 40 H 10.37 4.53 0.00 3.21 3.54 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.33 3.82 0.00 2.96 3.01 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.98 3.29 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.92 0.00 0.00 43 T 9.14 4.38 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 1.36 0.00 0.00 44 A 7.65 4.47 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.52 0.00 2.85 2.73 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 46 G 7.76 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.94 4.80 0.00 3.02 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 48 Y 8.87 5.25 0.00 2.84 2.61 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 0.00 0.00 0.00 49 R 9.92 4.25 0.00 1.28 1.60 0.00 3.02 0.00 0.00 2.78 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 50 G 8.98 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.15 3.57 0.00 1.92 2.00 0.00 3.21 0.00 0.00 3.12 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 52 K 7.63 4.15 0.00 0.79 1.32 0.00 1.55 0.00 0.00 1.55 0.00 0.00 3.22 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.04 0.56 7.81 53 V 8.36 3.67 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 0.84 0.00 0.00 1.00 0.00 0.00 54 I 8.42 3.68 1.87 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 1.34 0.33 0.91 0.00 0.00 55 A 8.58 4.16 1.25 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 0.00 0.00 0.00 56 K 8.37 4.60 0.00 1.97 2.16 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.44 7.81