NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3187 8.3049 120.3353 55.2593 33.1383 176.3661 2 K 4.0170 8.1993 127.4584 52.8237 31.0310 173.1574 3 G 2.9748 8.2834 116.3513 45.3599 0.0000 171.3223 4 M 4.3491 7.5247 115.0299 55.4494 32.8777 177.1996 5 S 4.5791 7.7320 113.6626 60.2991 64.8581 175.5752 6 K 4.0418 8.1766 118.2464 59.7395 31.9865 177.9456 7 M 4.1620 7.2160 116.3557 54.8666 32.3875 174.6660 8 P 4.5605 0.0000 0.0000 62.4677 32.6536 175.7362 9 Q 4.4774 8.2346 118.4081 54.8587 30.3084 175.4313 10 F 4.2287 8.2003 120.7979 56.4841 41.5112 173.6794 11 N 4.3456 7.8317 127.6261 52.9184 38.3836 174.1266 12 L 4.3612 7.9948 125.8061 53.8190 42.9482 177.4597 13 R 4.3785 8.1542 119.8350 54.7465 32.1019 174.3267 14 W 5.2263 8.3652 121.7579 53.4506 33.1630 173.7296 15 P 4.4684 0.0000 0.0000 62.6427 31.6979 177.2413 16 R 3.8711 8.9112 122.8906 59.6815 29.9563 177.3945 17 E 3.9057 8.3212 118.3356 59.5204 29.5495 178.6572 18 V 3.5839 7.7163 117.4290 66.3003 31.5448 178.0336 19 L 4.2557 8.1171 117.9492 57.9809 41.4947 179.2350 20 D 4.3504 8.3291 118.8812 57.0983 40.7944 178.2890 21 L 3.9253 7.9395 120.9394 58.3495 42.0461 179.1284 22 V 3.6662 8.3638 118.2481 66.1502 31.3243 178.2267 23 R 3.9086 8.1591 117.9202 59.4255 29.9640 178.3114 24 K 3.7790 8.5712 119.4844 59.9998 31.8416 178.4363 25 V 3.5910 7.9076 118.1454 66.0933 31.7284 177.9034 26 A 4.1284 8.1976 120.2811 55.1986 17.8191 178.9123 27 E 3.9118 8.3897 118.3401 59.4322 29.4455 178.2098 28 E 4.1674 7.9621 114.0817 57.3617 30.2021 177.0954 29 N 4.7483 8.5111 117.2526 52.4475 40.4459 174.3834 30 G 3.7135 9.0426 107.2287 45.3299 0.0000 172.5990 31 R 4.5836 7.3115 112.3533 53.2790 32.8182 175.2072 32 S 4.3822 8.3086 114.0162 58.0592 65.1034 175.3148 33 V 3.6167 8.1998 120.9829 65.9158 31.0882 177.2518 34 N 4.2635 8.1494 116.5246 56.9872 38.6912 176.8475 35 S 4.1449 8.1192 116.3878 61.1343 62.9953 176.1169 36 E 3.9765 8.1404 122.0388 59.4866 29.3421 178.9447 37 I 3.7577 7.7959 119.6855 64.5270 37.1448 177.4595 38 Y 3.9390 7.7712 120.4031 61.0578 38.6104 178.0540 39 Q 4.0546 9.0692 120.5829 59.4828 28.9689 178.7953 40 R 3.9498 7.9163 118.9131 58.8415 30.1275 179.1041 41 V 3.3736 7.9257 118.3986 66.3007 31.4878 177.8573 42 M 3.6032 7.7937 118.7266 58.2789 31.6918 178.3669 43 E 3.9006 8.0041 119.5224 59.3888 29.6891 179.1584 44 S 4.2249 7.7006 114.3325 61.4368 63.0866 176.4972 45 F 4.4160 8.2140 121.6099 60.1486 38.7103 177.5256 46 K 3.9945 8.4536 119.6702 59.5302 31.7952 179.0540 47 K 4.0329 7.8688 117.6593 59.4638 32.0792 178.7987 48 E 4.2045 7.9342 117.2944 56.8781 29.4263 177.6013 49 G 3.8689 7.6821 106.5872 46.4941 0.0000 174.8701 50 R 4.1678 7.9618 118.9229 57.0659 30.5364 176.6821 51 I 4.6938 7.3371 116.7862 59.8150 41.3232 174.9498 52 G 3.7439 8.4700 110.1427 45.8808 0.0000 172.7850 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 4.32 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 2 K 8.20 4.02 0.00 1.83 1.73 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.42 7.81 3 G 8.28 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 0.00 0.00 0.00 4 M 7.52 4.35 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 5 S 7.73 4.58 0.00 3.83 3.87 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 6 K 8.18 4.04 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 7 M 7.22 4.16 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 8 P 0.00 4.56 0.00 2.22 2.07 0.00 3.78 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 2.03 2.01 0.00 9 Q 8.23 4.48 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 10 F 8.20 4.23 0.00 2.99 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 11 N 7.83 4.35 0.00 2.50 2.42 0.00 0.00 7.23 7.78 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 12 L 7.99 4.36 0.00 1.27 0.86 0.93 -1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.15 4.38 0.00 1.78 1.86 0.00 3.14 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 14 W 8.37 5.23 0.00 3.33 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 15 P 0.00 4.47 0.00 2.24 2.21 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 16 R 8.91 3.87 0.00 1.93 2.03 0.00 3.22 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 17 E 8.32 3.91 0.00 2.08 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 2.39 2.39 0.00 18 V 7.72 3.58 2.26 0.00 0.00 0.00 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 0.84 0.00 0.00 19 L 8.12 4.26 0.00 1.83 1.78 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.33 4.35 0.00 2.91 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 21 L 7.94 3.93 0.00 1.92 1.81 0.92 0.94 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 22 V 8.36 3.67 2.37 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 1.07 0.00 0.00 1.18 0.00 0.00 23 R 8.16 3.91 0.00 2.13 1.98 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 24 K 8.57 3.78 0.00 1.92 1.80 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 25 V 7.91 3.59 2.11 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 0.88 0.00 0.00 0.98 0.00 0.00 26 A 8.20 4.13 1.41 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 27 E 8.39 3.91 0.00 2.16 2.17 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 2.32 2.34 0.00 28 E 7.96 4.17 0.00 2.19 2.05 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 2.37 2.35 0.00 29 N 8.51 4.75 0.00 2.91 2.91 0.00 0.00 7.02 7.45 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 30 G 9.04 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.31 4.58 0.00 1.88 1.87 0.00 3.39 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 32 S 8.31 4.38 0.00 4.05 4.03 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 0.00 0.00 0.00 33 V 8.20 3.62 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 1.02 0.00 0.00 0.94 0.00 0.00 34 N 8.15 4.26 0.00 2.85 2.77 0.00 0.00 7.25 7.90 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 35 S 8.12 4.14 0.00 3.92 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 36 E 8.14 3.98 0.00 2.21 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 0.00 2.35 2.45 0.00 37 I 7.80 3.76 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 1.60 0.64 1.02 0.00 0.00 38 Y 7.77 3.94 0.00 3.16 3.12 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 39 Q 9.07 4.05 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 40 R 7.92 3.95 0.00 2.05 1.94 0.00 3.22 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 41 V 7.93 3.37 1.78 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 0.31 0.00 0.00 0.86 0.00 0.00 42 M 7.79 3.60 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 43 E 8.00 3.90 0.00 2.04 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 0.00 2.30 2.32 0.00 44 S 7.70 4.22 0.00 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 0.00 45 F 8.21 4.42 0.00 3.15 3.06 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 46 K 8.45 3.99 0.00 1.94 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 47 K 7.87 4.03 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.73 7.81 48 E 7.93 4.20 0.00 1.88 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 2.32 2.33 0.00 49 G 7.68 3.87 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 0.00 0.00 0.00 50 R 7.96 4.17 0.00 1.71 1.72 0.00 2.30 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 51 I 7.34 4.69 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 0.97 0.00 0.00 52 G 8.47 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00