NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1197 8.2085 108.0312 46.4388 0.0000 171.9363 2 A 5.1800 8.3221 120.2241 50.2142 22.5910 173.8101 3 M 5.0305 9.3702 118.4342 53.5024 37.0757 172.6870 4 E 5.1002 9.0845 122.6649 54.0857 32.1984 175.0291 5 A 4.6538 8.9539 130.2010 52.2494 19.1272 177.4650 6 I 4.2318 8.9645 114.9729 60.6886 39.0987 175.1573 7 Y 5.0139 7.7254 118.6790 56.1286 41.9445 174.7054 8 A 4.7173 8.8451 123.5431 52.1537 19.8928 176.3483 9 Y 4.9326 9.1977 121.8019 55.8547 42.5313 173.5485 10 E 4.5800 8.0762 127.1039 54.1841 30.6997 175.3121 11 A 4.3437 8.6865 129.8223 52.0955 19.3383 177.0696 12 Q 4.5951 9.7247 119.6770 54.2754 30.1382 176.1516 13 G 4.1985 7.5845 107.9776 45.4890 0.0000 174.2898 14 D 4.4499 8.5328 120.0465 56.3857 41.1081 177.2198 15 D 4.6854 8.0219 117.2102 53.4190 40.1832 175.3807 16 E 5.3617 7.8425 119.7721 54.9130 31.9133 175.2469 17 I 4.7573 8.6005 115.0875 59.1292 40.3419 175.4719 18 S 4.8184 8.7979 120.9040 58.6025 63.5358 173.5095 19 I 4.9154 8.7883 116.9863 59.2742 41.1349 174.0156 20 D 5.2323 9.2617 122.4396 51.5661 45.1670 173.6033 21 P 4.4520 0.0000 0.0000 64.8387 31.6606 176.9169 22 G 3.9600 8.9510 111.9795 44.9099 0.0000 173.5037 23 D 4.3928 8.0397 120.6690 54.7558 41.9708 175.5494 24 I 4.6247 8.3050 123.9553 59.9574 38.7040 175.0062 25 I 4.4642 8.6914 129.4221 59.5766 39.3596 175.3965 26 T 4.5046 8.7426 125.3864 63.2395 69.5600 174.1754 27 V 4.1091 8.7366 127.8627 63.0804 31.6947 175.3314 28 I 4.3220 8.7977 128.8302 62.5725 38.9179 176.2438 29 R 4.5177 7.9207 122.6329 54.4155 32.9486 175.0918 30 G 4.2774 8.8079 113.8711 45.3465 0.0000 171.9902 31 D 4.8012 8.8949 119.7603 53.6933 41.9818 176.0843 32 D 4.7879 8.6768 124.5135 53.3608 39.7087 177.1556 33 G 4.0843 8.6618 109.3132 45.9858 0.0000 175.6178 34 S 4.2227 7.9762 113.2880 59.6835 63.5574 175.4834 35 G 3.7997 8.9148 109.5859 44.3287 0.0000 172.3495 36 W 4.9951 8.0001 119.3507 54.9762 32.4201 174.7533 37 T 4.5233 8.1634 119.8866 61.8080 71.3302 172.4023 38 Y 5.0496 8.6989 126.9256 56.5864 40.7829 174.8997 39 G 4.3766 8.5414 112.9563 45.8624 0.0000 170.8427 40 E 5.2249 9.0582 119.8037 54.5767 33.7013 174.8062 41 C 4.6751 8.9763 126.1049 57.6632 34.5651 173.4268 42 D 4.4902 9.6968 127.9435 55.4915 37.8205 175.5548 43 G 3.9088 9.1463 107.7764 45.2934 0.0000 174.1096 44 L 4.2003 7.7515 123.3547 54.7061 42.9604 175.4469 45 K 4.9367 9.0349 127.5110 53.9852 35.0735 175.6170 46 G 4.2130 7.8877 111.8505 46.7379 0.0000 171.0130 47 L 5.3600 8.3776 120.3835 54.4054 43.1323 176.5347 48 F 5.4415 8.7808 116.8076 54.7507 42.2726 171.9258 49 P 3.7706 0.0000 0.0000 62.0144 31.7668 177.5888 50 T 3.8449 8.2623 121.2940 66.7985 68.4522 176.3344 51 S 4.4017 7.8425 112.7575 60.1199 63.4711 173.9992 52 Y 4.6996 8.3730 119.1526 58.6664 37.8281 174.1954 53 C 5.4149 8.1937 117.4020 57.7566 32.5726 174.2200 54 K 4.2105 8.9664 119.0433 57.3034 32.3430 176.1247 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 G 8.21 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 2 A 8.32 5.18 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 3 M 9.37 5.03 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 4 E 9.08 5.10 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 5 A 8.95 4.65 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 6 I 8.96 4.23 1.38 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 0.78 0.00 0.00 7 Y 7.73 5.01 0.00 2.64 2.59 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 0.00 0.00 0.00 0.00 8 A 8.85 4.72 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 9 Y 9.20 4.93 0.00 2.88 2.86 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 10 E 8.08 4.58 0.00 1.87 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 11 A 8.69 4.34 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 12 Q 9.72 4.60 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 13 G 7.58 4.20 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 0.00 0.00 0.00 14 D 8.53 4.45 0.00 2.67 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 15 D 8.02 4.69 0.00 2.77 2.85 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 16 E 7.84 5.36 0.00 2.11 2.20 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 2.06 2.10 0.00 17 I 8.60 4.76 1.94 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 1.37 0.87 0.99 0.00 0.00 18 S 8.80 4.82 0.00 3.80 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 19 I 8.79 4.92 1.81 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 0.76 0.00 0.00 20 D 9.26 5.23 0.00 2.55 2.55 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 0.00 0.00 0.00 0.00 21 P 0.00 4.45 0.00 2.01 1.96 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 22 G 8.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.39 0.00 2.54 2.52 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 0.00 24 I 8.30 4.62 1.84 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 0.80 0.89 0.00 0.00 25 I 8.69 4.46 1.63 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.60 0.70 0.00 0.00 26 T 8.74 4.50 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 1.22 0.00 0.00 27 V 8.74 4.11 2.13 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 0.79 0.00 0.00 1.04 0.00 0.00 28 I 8.80 4.32 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 1.13 0.00 0.00 29 R 7.92 4.52 0.00 1.95 1.90 0.00 3.37 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 30 G 8.81 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 0.00 0.00 0.00 0.00 31 D 8.89 4.80 0.00 2.69 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 0.00 0.00 0.00 0.00 32 D 8.68 4.79 0.00 2.81 2.72 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 33 G 8.66 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 0.00 0.00 0.00 34 S 7.98 4.22 0.00 4.22 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 35 G 8.91 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 0.00 0.00 0.00 36 W 8.00 5.00 0.00 3.23 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 37 T 8.16 4.52 3.10 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 0.00 0.00 0.00 1.21 0.00 0.00 38 Y 8.70 5.05 0.00 2.99 2.86 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 39 G 8.54 4.38 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 0.00 40 E 9.06 5.22 0.00 1.83 1.66 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 2.15 2.33 0.00 41 C 8.98 4.68 0.00 2.81 2.65 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 0.00 0.00 0.00 42 D 9.70 4.49 0.00 2.84 2.72 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 43 G 9.15 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 0.00 0.00 0.00 44 L 7.75 4.20 0.00 1.80 1.73 0.94 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.03 4.94 0.00 1.70 1.63 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.17 1.11 7.81 46 G 7.89 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 0.00 0.00 0.00 0.00 47 L 8.38 5.36 0.00 1.58 1.72 0.65 1.07 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 48 F 8.78 5.44 0.00 3.10 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 49 P 0.00 3.77 0.00 1.14 0.82 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 50 T 8.26 3.84 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 1.19 0.00 0.00 51 S 7.84 4.40 0.00 4.01 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 52 Y 8.37 4.70 0.00 3.23 3.17 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 0.00 0.00 0.00 0.00 53 C 8.19 5.41 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 54 K 8.97 4.21 0.00 1.86 1.83 0.00 1.32 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.34 7.81