NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3946 8.3049 120.3473 55.8524 32.7178 169.8027 2 I 3.0530 7.8668 127.8139 58.2181 37.9439 168.8143 3 V 2.8870 8.7367 126.7877 61.8024 32.5991 173.3220 4 P 3.9561 0.0000 0.0000 62.8291 31.4494 176.0395 5 V 3.4835 8.2715 123.3808 63.5448 31.8498 172.3090 6 R 4.0560 8.7208 132.5650 55.1017 30.0163 175.7166 7 C 3.9362 8.3612 121.2706 59.6292 32.0811 173.9195 8 F 4.4896 8.3028 124.7968 60.9429 39.0267 177.2770 9 S 4.2799 8.3301 113.9834 61.4773 62.8308 174.8351 10 C 4.2388 8.3926 115.2839 58.7163 30.2518 173.0623 11 G 3.3973 8.2040 115.5097 43.7891 0.0000 173.3561 12 K 3.6580 7.9297 123.0161 56.4833 32.4546 175.5107 13 V 3.7776 8.3785 125.1531 63.5627 31.6279 175.1780 14 V 4.2001 8.3920 127.0792 63.4981 33.3909 177.4659 15 G 4.0082 8.2877 108.0821 48.0886 0.0000 173.4198 16 D 4.7212 7.9050 116.5384 53.8016 40.4126 178.0064 17 K 4.2065 8.4745 120.8911 59.1415 32.0185 177.6861 18 W 4.3478 8.6197 127.8220 60.8836 30.3182 177.1090 19 E 3.9761 8.5268 117.0261 59.9361 29.1568 179.9324 20 S 4.0103 8.0133 114.1051 61.9086 62.8923 175.7392 21 Y 4.1012 8.0941 121.2204 60.8001 38.7439 177.9276 22 L 3.4442 7.8814 121.5586 57.7684 42.2603 178.4391 23 N 4.2695 7.8609 117.0753 56.3457 38.6606 176.3407 24 L 4.1725 8.4644 119.1834 56.7893 41.5737 177.8123 25 L 4.2891 7.4198 118.7360 55.9717 42.0665 177.8805 26 Q 3.9317 7.7527 121.8411 58.8117 29.2235 177.4957 27 E 4.4987 7.6677 116.0033 57.8168 31.8075 177.2694 28 D 4.3309 8.0686 116.6109 55.2848 41.3040 175.5844 29 E 3.8409 7.9601 118.2723 56.7595 26.5800 173.3805 30 L 4.8172 7.9277 118.7453 51.7780 46.5226 176.9992 31 D 4.6586 8.3147 120.6182 52.5910 41.9157 177.1015 32 E 4.1698 8.8888 120.4737 59.9859 29.5556 179.7818 33 G 3.9857 8.2225 104.8572 48.4836 0.0000 175.4449 34 T 4.0084 7.6998 117.4620 65.7679 68.5068 176.7534 35 A 4.0630 7.7623 121.6237 55.4897 18.5334 179.5099 36 L 4.0558 8.5062 117.3446 58.1938 41.5930 179.6988 37 S 4.2198 7.7279 111.1479 61.1121 62.3561 175.2627 38 R 4.3330 8.6249 119.2802 56.6638 30.4075 176.7585 39 L 4.6172 8.0759 117.6597 54.7958 41.8749 177.8342 40 G 3.8852 8.1201 106.6890 45.3788 0.0000 174.0357 41 L 4.0379 7.3037 118.8617 54.7335 40.5984 176.1163 42 K 4.2612 8.1052 124.3181 57.9981 33.7256 177.2562 43 R 4.1107 7.4000 115.9996 55.8021 31.8647 176.9429 44 Y 4.2903 7.9581 119.0326 59.4888 37.8346 178.1787 45 C 4.2129 7.5007 116.1132 61.8134 30.1650 175.2137 46 C 4.2510 7.9195 119.3313 62.2256 27.8909 175.7539 47 R 3.9009 8.1466 120.0126 59.6209 29.6152 179.1264 48 R 4.0621 8.1994 115.5134 59.0080 29.3633 178.2869 49 M 3.9747 7.8660 118.5942 58.5881 32.1897 177.7333 50 I 4.1656 7.4275 117.3207 63.7363 38.0126 177.0919 51 L 4.0515 7.3843 119.6502 58.7164 42.2740 177.5942 52 T 4.6236 8.4966 122.1907 61.1127 67.0283 172.4304 53 H 3.7688 9.0615 134.5062 56.7043 30.3378 173.7833 54 V 4.1760 7.7365 124.3575 60.9701 33.0953 176.0033 55 D 4.5058 8.2580 130.5058 53.4437 39.2286 176.3882 56 L 3.8440 7.7626 123.2004 57.7173 42.0566 178.6997 57 I 4.0943 7.9739 118.0580 64.6949 37.5012 177.3407 58 E 4.0145 7.7782 118.1878 59.2086 29.4146 179.1567 59 K 4.0580 8.3953 118.7563 59.0745 31.8460 179.1951 60 F 4.6490 7.7379 117.5020 60.6156 38.6595 176.8091 61 L 4.3612 8.0897 116.0975 55.9490 41.5836 178.0537 62 R 4.2777 7.8529 118.4310 56.9851 30.6217 175.4270 63 Y 4.3476 7.3041 115.1180 58.0273 38.5820 173.6858 64 N 4.4765 8.4020 120.0779 53.0127 39.4469 172.8515 65 P 4.5141 0.0000 0.0000 62.8400 31.6949 175.9477 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 4.39 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.67 0.00 2 I 7.87 3.05 1.87 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 1.27 0.56 0.86 0.00 0.00 3 V 8.74 2.89 1.87 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 0.64 0.00 0.00 -0.07 0.00 0.00 4 P 0.00 3.96 0.00 1.71 1.58 0.00 3.38 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 5 V 8.27 3.48 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 0.76 0.00 0.00 0.89 0.00 0.00 6 R 8.72 4.06 0.00 1.93 2.05 0.00 3.25 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 7 C 8.36 3.94 0.00 2.84 2.84 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 8 F 8.30 4.49 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.28 0.00 4.02 4.07 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 10 C 8.39 4.24 0.00 3.06 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 11 G 8.20 3.40 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 0.00 12 K 7.93 3.66 0.00 1.76 1.68 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.43 7.81 13 V 8.38 3.78 2.07 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 0.84 0.00 0.00 0.91 0.00 0.00 14 V 8.39 4.20 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 0.89 0.00 0.00 0.87 0.00 0.00 15 G 8.29 4.01 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 0.00 0.00 0.00 16 D 7.90 4.72 0.00 2.82 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.47 4.21 0.00 2.05 1.93 0.00 1.60 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.51 7.81 18 W 8.62 4.35 0.00 3.43 3.08 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 19 E 8.53 3.98 0.00 2.13 2.07 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 2.56 2.63 0.00 20 S 8.01 4.01 0.00 4.06 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 21 Y 8.09 4.10 0.00 2.76 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 22 L 7.88 3.44 0.00 1.22 1.45 0.38 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.86 4.27 0.00 2.94 2.83 0.00 0.00 7.24 6.74 0.00 0.00 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 L 8.46 4.17 0.00 1.56 1.62 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.42 4.29 0.00 1.56 1.39 0.50 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.75 3.93 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 27 E 7.67 4.50 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 28 D 8.07 4.33 0.00 2.58 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 29 E 7.96 3.84 0.00 2.09 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 2.21 2.39 0.00 30 L 7.93 4.82 0.00 1.67 1.48 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.31 4.66 0.00 2.87 2.78 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 32 E 8.89 4.17 0.00 2.15 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 0.00 2.56 2.66 0.00 33 G 8.22 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 0.00 0.00 0.00 34 T 7.70 4.01 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 35 A 7.76 4.06 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 36 L 8.51 4.06 0.00 1.68 1.71 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.73 4.22 0.00 4.03 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 38 R 8.62 4.33 0.00 1.89 1.94 0.00 3.29 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 39 L 8.08 4.62 0.00 1.91 1.65 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.30 4.04 0.00 1.95 1.63 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.11 4.26 0.00 1.68 1.72 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 43 R 7.40 4.11 0.00 1.76 1.87 0.00 2.92 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 44 Y 7.96 4.29 0.00 3.22 3.29 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 45 C 7.50 4.21 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.92 4.25 0.00 2.96 2.97 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 47 R 8.15 3.90 0.00 2.03 2.05 0.00 3.32 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 48 R 8.20 4.06 0.00 2.17 2.26 0.00 2.96 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 1.73 1.99 0.00 49 M 7.87 3.97 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 50 I 7.43 4.17 1.62 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.11 0.00 0.00 51 L 7.38 4.05 0.00 1.67 1.87 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.50 4.62 4.43 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 1.29 0.00 0.00 53 H 9.06 3.77 0.00 3.35 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.74 4.18 2.02 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 0.82 0.00 0.00 0.94 0.00 0.00 55 D 8.26 4.51 0.00 2.73 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 56 L 7.76 3.84 0.00 1.79 1.09 1.03 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.97 4.09 2.00 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 1.74 1.52 1.00 0.00 0.00 58 E 7.78 4.01 0.00 1.93 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 0.00 2.52 2.59 0.00 59 K 8.40 4.06 0.00 1.52 1.60 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.34 7.81 60 F 7.74 4.65 0.00 3.29 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 61 L 8.09 4.36 0.00 1.84 1.77 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.85 4.28 0.00 1.71 1.75 0.00 3.20 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 63 Y 7.30 4.35 0.00 3.26 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 64 N 8.40 4.48 0.00 2.75 2.68 0.00 0.00 6.83 7.69 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 65 P 0.00 4.51 0.00 2.20 2.02 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00