NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9553 8.3393 109.7123 45.8242 0.0000 173.2389 0 S 4.3984 8.4511 109.8056 56.8978 64.1447 170.6079 1 E 4.5280 7.8497 121.1807 54.1843 31.1816 176.6872 2 Q 4.3084 8.6151 122.2249 56.8893 29.1931 176.7598 3 T 4.4431 8.9830 110.3155 63.1634 71.0570 173.6668 4 H 5.4244 8.0333 117.4715 54.3929 34.3436 172.0875 5 R 5.0413 8.9825 118.6684 54.5961 33.6391 173.9777 6 A 4.6484 8.8722 128.7913 52.0655 19.2237 177.6057 7 I 4.2126 8.4989 114.4577 60.4542 38.7986 175.5479 8 F 5.0885 7.5683 120.1886 55.5588 42.9143 174.3396 9 R 4.3907 8.7996 122.5650 56.5490 31.0591 175.5268 10 F 5.0834 9.5391 128.1862 56.7460 42.7595 173.2171 11 V 4.4063 8.0103 126.5575 60.1830 32.6563 173.5386 12 P 4.2361 0.0000 0.0000 63.2385 31.6489 176.5237 13 R 4.4874 9.3472 118.5701 55.8389 32.4739 175.5640 14 H 5.0650 7.9587 114.3719 53.4268 32.1080 174.4393 15 E 4.0504 8.9028 121.5764 59.0532 29.5896 177.7954 16 D 4.6828 7.9936 116.4245 53.5781 40.3676 175.8548 17 E 5.0641 7.8671 119.6026 56.2264 30.7112 175.6552 18 L 4.7226 9.0422 125.4591 53.3680 43.3914 175.8167 19 E 4.4412 8.9412 127.9487 56.3687 30.4919 175.7052 20 L 4.9893 9.4523 125.9624 53.0146 46.1329 175.2766 21 E 5.0219 9.1909 121.1878 53.9851 33.4103 175.8045 22 V 3.5929 8.4348 122.3048 65.0450 31.7800 175.6241 23 D 4.6561 9.0852 125.3646 54.0736 40.8030 173.6020 24 D 4.5053 7.8732 118.9108 54.3748 41.7956 173.9008 25 P 4.8135 0.0000 0.0000 62.4047 32.1055 175.7240 26 L 5.0848 9.1357 123.8234 52.9120 46.3698 175.8469 27 L 4.9217 8.7831 121.2675 53.0291 43.9414 175.7371 28 V 4.3753 8.8952 125.6497 62.5520 31.2568 175.5828 29 E 4.4157 8.9479 128.1023 57.7532 30.9079 176.7792 30 L 4.3860 7.6266 121.3833 53.9100 45.7173 174.7804 31 Q 4.4771 8.5541 125.7995 53.7676 28.8042 175.2343 32 A 4.3224 8.4759 126.3985 51.4309 19.1517 178.5964 33 E 4.1412 8.7447 118.2231 59.0428 29.8527 177.4906 34 D 4.5915 8.1698 117.5312 53.0868 39.7333 175.4377 35 Y 3.8311 8.2288 115.4311 59.7753 35.9990 168.9043 36 W 4.9361 8.3779 118.1650 55.1158 32.6988 174.4910 37 Y 5.1131 8.3888 122.4444 56.6935 39.9460 174.3060 38 E 5.1703 9.2191 122.5199 54.8031 32.2363 175.1598 39 A 5.0350 9.6222 125.2698 51.3271 23.9729 173.5726 40 Y 5.0690 8.8994 120.0715 56.2992 41.1134 175.3211 41 N 4.6207 8.7332 126.6341 54.2648 41.4405 176.1300 43 R 3.1634 8.5299 113.0199 59.0405 31.3073 177.4820 44 T 4.0217 7.6399 108.2796 62.0037 69.3310 175.9755 45 G 3.7966 8.5714 109.1646 44.2757 0.0000 172.9863 46 A 4.5499 7.3223 121.2267 51.1889 20.5016 176.9204 47 R 5.1372 8.9222 117.1486 54.1014 34.1571 175.7394 48 G 4.0882 7.8884 107.1721 47.0637 0.0000 171.5529 49 V 5.3913 8.2863 113.0939 60.1419 34.8239 175.3291 50 F 5.1007 8.8050 116.6822 54.8455 41.9482 171.6953 51 P 3.4977 0.0000 0.0000 62.1335 31.4181 177.2142 52 A 2.5800 8.1266 128.3141 55.2945 18.1583 178.6040 53 Y 4.3687 7.6089 109.0621 59.3978 38.0033 175.6699 54 Y 4.6485 8.5831 117.9985 58.1363 38.3187 174.5168 55 A 5.2741 7.7199 119.7285 50.3406 22.8074 175.8073 56 I 4.6157 8.5100 112.7737 58.8571 40.8997 174.3613 57 E 4.2960 8.7665 125.3399 55.9904 30.4543 176.6589 58 V 4.0794 8.3289 119.6054 61.4607 31.6353 175.6020 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 8.34 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 0 S 8.45 4.40 0.00 4.03 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 1 E 7.85 4.53 0.00 1.94 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 2.20 2.25 0.00 2 Q 8.62 4.31 0.00 2.57 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 3 T 8.98 4.44 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 1.25 0.00 0.00 4 H 8.03 5.42 0.00 3.22 3.39 0.00 5.76 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.98 5.04 0.00 1.82 1.67 0.00 3.06 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 6 A 8.87 4.65 1.19 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 0.00 0.00 7 I 8.50 4.21 1.30 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.74 0.00 0.00 8 F 7.57 5.09 0.00 1.92 2.24 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 0.00 9 R 8.80 4.39 0.00 1.88 1.94 0.00 3.49 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 10 F 9.54 5.08 0.00 3.31 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 11 V 8.01 4.41 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 0.78 0.00 0.00 0.90 0.00 0.00 12 P 0.00 4.24 0.00 2.01 1.97 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 13 R 9.35 4.49 0.00 1.48 1.67 0.00 3.09 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 14 H 7.96 5.07 0.00 3.32 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.90 4.05 0.00 1.96 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 2.32 2.32 0.00 16 D 7.99 4.68 0.00 2.79 2.87 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 0.00 0.00 0.00 0.00 17 E 7.87 5.06 0.00 2.18 2.41 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 2.81 2.43 0.00 18 L 9.04 4.72 0.00 1.85 1.90 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.94 4.44 0.00 2.02 1.85 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 2.30 2.53 0.00 20 L 9.45 4.99 0.00 1.72 1.51 0.50 0.51 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 21 E 9.19 5.02 0.00 2.17 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 2.22 2.36 0.00 22 V 8.43 3.59 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 0.70 0.00 0.00 0.99 0.00 0.00 23 D 9.09 4.66 0.00 2.77 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 24 D 7.87 4.51 0.00 2.66 2.53 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 0.00 25 P 0.00 4.81 0.00 1.96 2.00 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 26 L 9.14 5.08 0.00 1.64 1.61 0.66 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.78 4.92 0.00 1.78 1.67 1.03 0.75 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 28 V 8.90 4.38 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 0.36 0.00 0.00 0.88 0.00 0.00 29 E 8.95 4.42 0.00 1.93 1.99 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 2.33 2.44 0.00 30 L 7.63 4.39 0.00 1.70 1.54 0.90 0.89 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 31 Q 8.55 4.48 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 32 A 8.48 4.32 1.46 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 0.00 0.00 0.00 33 E 8.74 4.14 0.00 2.07 2.14 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 2.28 2.38 0.00 34 D 8.17 4.59 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.23 3.83 0.00 3.16 2.90 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 36 W 8.38 4.94 0.00 3.31 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 Y 8.39 5.11 0.00 1.43 2.31 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 38 E 9.22 5.17 0.00 1.87 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 2.28 2.41 0.00 39 A 9.62 5.03 1.54 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 0.00 0.00 40 Y 8.90 5.07 0.00 3.14 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.73 4.62 0.00 2.67 2.49 0.00 0.00 6.61 7.64 0.00 0.00 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 R 8.53 3.16 0.00 1.86 2.12 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 44 T 7.64 4.02 4.19 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 1.18 0.00 0.00 45 G 8.57 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 46 A 7.32 4.55 1.23 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 0.00 0.00 0.00 47 R 8.92 5.14 0.00 1.76 1.92 0.00 3.45 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 48 G 7.89 4.09 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 0.00 0.00 0.00 49 V 8.29 5.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.00 0.00 0.00 50 F 8.81 5.10 0.00 2.64 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 51 P 0.00 3.50 0.00 1.14 1.27 0.00 2.26 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.71 0.00 52 A 8.13 2.58 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.61 4.37 0.00 3.07 3.11 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 0.00 54 Y 8.58 4.65 0.00 3.30 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 55 A 7.72 5.27 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 4.62 1.85 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 1.05 0.78 0.86 0.00 0.00 57 E 8.77 4.30 0.00 1.92 1.83 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 2.18 2.21 0.00 58 V 8.33 4.08 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 0.68 0.00 0.00 0.99 0.00 0.00