NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2686 8.1133 117.2701 56.2466 29.7286 177.2696 11 T 3.3231 8.3260 111.3197 64.6736 68.3082 174.3193 12 G 3.7885 7.9078 108.2671 47.1757 0.0000 175.1608 13 R 4.0170 7.1097 117.0609 58.7413 29.9619 178.1281 14 F 4.9314 8.4262 117.9380 58.9824 39.2708 176.5373 15 G 3.7890 8.0209 108.1828 46.3334 0.0000 172.6711 16 P 4.6487 0.0000 0.0000 62.7132 31.6190 176.3379 17 R 3.9665 7.4288 118.1492 56.8648 30.9466 177.3660 18 Y 3.8014 8.3066 116.2848 57.6669 36.4916 170.7973 19 G 3.9972 7.6247 104.6400 44.9829 0.0000 173.3595 20 L 4.0426 7.8591 117.5715 57.3868 41.2825 179.6419 21 K 3.8465 7.9881 117.3021 60.0306 32.2376 178.8779 22 I 3.6906 7.8924 119.2751 64.8239 37.0845 178.4511 23 R 4.3856 7.8420 117.1259 58.2548 29.4586 178.8406 24 V 3.6224 8.2755 119.8945 66.0281 31.4233 178.1745 25 R 3.9412 8.2937 117.8742 58.8335 29.8736 179.1644 26 V 3.5445 7.6372 118.0771 65.6146 31.4759 178.0007 27 A 3.9265 8.2020 120.5749 55.2602 18.4219 178.9154 28 D 4.3553 8.2138 117.5537 57.7557 40.9747 179.5313 29 V 3.5474 7.9520 118.3116 66.3264 31.5006 178.0667 30 E 4.2881 8.2926 118.0060 58.9849 28.9633 179.3705 31 I 3.7019 8.2440 118.7458 64.0196 38.4341 177.6480 32 K 4.1295 7.9282 118.8944 59.7091 31.6761 178.3937 33 H 4.9974 8.4021 119.0536 58.7876 29.8788 176.5526 34 K 4.4139 8.1881 116.2936 55.6617 32.4254 177.2794 35 K 4.1274 7.1599 119.3024 55.9740 32.6443 176.6751 36 K 4.1472 8.2568 120.3276 56.6722 32.8550 176.3920 37 H 4.9897 8.4810 119.7356 53.7682 32.3335 173.2395 38 K 4.4757 8.6112 122.0565 55.6119 32.3921 176.3683 39 C 4.0110 9.1781 126.6337 59.7218 31.3884 172.3967 40 P 4.3599 0.0000 0.0000 65.6192 30.8421 177.7595 41 V 3.4163 7.0314 117.4533 65.1378 32.0903 177.9419 42 C 4.5383 7.5083 117.4534 57.4240 32.0109 173.7940 43 G 4.1641 8.5893 109.2617 45.5520 0.0000 172.8931 44 F 4.0661 8.0977 118.9550 56.6077 40.1553 175.6996 45 K 5.0407 7.7518 122.6853 54.4668 29.8134 176.8593 46 K 4.8218 7.6457 117.2800 56.1137 34.0891 177.1967 47 L 5.2098 8.2891 119.7625 53.5102 43.2063 176.8279 48 K 4.9821 9.2749 123.1597 54.2311 36.4477 175.8036 49 R 3.5362 8.7423 123.2414 56.1236 30.3257 176.2605 50 A 4.2611 8.6733 128.4941 51.7720 20.0181 176.7718 51 G 3.6598 6.8805 101.8284 45.7901 0.0000 170.9577 52 T 3.5976 8.1717 116.9353 64.9776 68.2911 174.9443 53 G 4.3983 8.5559 114.6426 46.3346 0.0000 171.5931 54 I 4.8716 7.1364 121.3878 59.1939 39.4505 174.8596 55 W 5.3958 9.0451 126.0795 55.3185 33.2054 174.1222 56 M 5.8313 8.9974 120.6172 54.4578 36.0861 173.0259 57 C 5.0784 8.8414 125.2881 58.1667 32.5431 174.6084 58 G 3.8877 9.1932 116.5896 48.2063 0.0000 173.9757 59 H 4.3515 8.1329 119.8981 58.3202 30.2066 175.4769 60 C 4.3102 8.0606 112.7205 57.6546 30.5010 174.6749 61 G 3.9247 8.7527 109.3594 44.9428 0.0000 172.9568 62 Y 4.2777 7.9783 121.5404 58.3731 39.7332 174.6723 63 K 4.8866 8.4344 128.3535 54.7765 33.6933 175.0904 64 I 4.4121 9.1668 121.6203 58.9679 41.2117 173.9747 65 A 4.9821 8.4714 124.4458 50.7029 20.0962 176.4502 66 G 4.2708 8.3733 111.7315 45.0022 0.0000 171.6155 67 G 4.1403 8.5761 111.2500 45.0321 0.0000 174.1030 68 C 3.9910 8.5030 115.9663 61.9744 28.4645 174.5138 69 Y 5.0809 7.8523 113.4362 57.5473 39.2579 174.7153 70 Q 4.7006 8.1054 118.9380 53.3905 33.2894 174.1116 71 P 2.9700 0.0000 0.0000 64.1635 31.5538 176.0849 72 E 4.8190 7.5812 117.0608 54.1080 32.5434 175.6329 73 T 4.6594 7.9924 112.6753 59.6961 72.6040 175.4606 74 V 3.5739 8.4624 121.1247 66.3812 31.4607 177.8412 75 A 4.2969 8.0089 119.9938 54.7310 18.7019 179.5933 76 G 3.5781 8.2895 104.4423 47.7810 0.0000 176.1255 77 K 4.0976 8.0385 120.1669 59.2106 31.7045 179.2622 78 A 4.0020 7.7286 121.0701 54.8096 17.9490 179.8103 79 V 3.5392 7.2142 115.3875 66.4771 31.7386 177.5527 80 M 4.1069 8.0259 116.7176 58.6273 31.9927 177.7277 81 K 3.8691 7.9808 116.2536 57.2269 32.2651 177.0019 82 A 4.1713 6.6043 129.2067 52.7679 18.0487 177.9281 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 10 R 8.11 4.27 0.00 1.97 1.97 0.00 2.92 0.00 0.00 3.33 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 11 T 8.33 3.32 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 1.31 0.00 0.00 12 G 7.91 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.11 4.02 0.00 1.86 1.97 0.00 2.94 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.00 14 F 8.43 4.93 0.00 3.38 3.13 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 0.00 0.00 0.00 15 G 8.02 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.65 0.00 2.14 2.12 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 17 R 7.43 3.97 0.00 0.85 0.66 0.00 2.85 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.00 18 Y 8.31 3.80 0.00 3.04 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 19 G 7.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.04 0.00 1.72 1.67 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.99 3.85 0.00 1.80 1.89 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 22 I 7.89 3.69 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.40 0.80 0.00 0.00 23 R 7.84 4.39 0.00 2.32 2.58 0.00 3.23 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.60 0.00 24 V 8.28 3.62 2.18 0.00 0.00 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 0.00 0.00 0.99 0.00 0.00 25 R 8.29 3.94 0.00 2.02 1.93 0.00 3.16 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 26 V 7.64 3.54 2.38 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 1.09 0.00 0.00 1.15 0.00 0.00 27 A 8.20 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.21 4.36 0.00 2.95 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 29 V 7.95 3.55 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 0.58 0.00 0.00 0.81 0.00 0.00 30 E 8.29 4.29 0.00 2.12 2.04 0.00 0.00 0.00 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 2.53 0.00 31 I 8.24 3.70 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 1.00 0.00 0.00 32 K 7.93 4.13 0.00 2.21 1.95 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 33 H 8.40 5.00 0.00 3.35 3.70 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.19 4.41 0.00 1.80 1.86 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 35 K 7.16 4.13 0.00 1.84 1.66 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.68 7.81 36 K 8.26 4.15 0.00 1.69 1.70 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.48 4.99 0.00 3.13 3.02 0.00 5.61 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 K 8.61 4.48 0.00 1.63 1.77 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 C 9.18 4.01 0.00 3.06 3.07 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 40 P 0.00 4.36 0.00 2.28 2.16 0.00 4.00 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 41 V 7.03 3.42 1.59 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 0.61 0.00 0.00 -0.42 0.00 0.00 42 C 7.51 4.54 0.00 3.17 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 43 G 8.59 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 4.07 0.00 2.97 3.01 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 45 K 7.75 5.04 0.00 1.54 1.73 0.00 1.62 0.00 0.00 2.29 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.15 7.81 46 K 7.65 4.82 0.00 1.82 1.86 0.00 1.96 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.74 7.81 47 L 8.29 5.21 0.00 1.71 1.77 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.27 4.98 0.00 1.71 1.71 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 49 R 8.74 3.54 0.00 1.20 1.46 0.00 3.01 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 50 A 8.67 4.26 1.17 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 0.00 0.00 51 G 6.88 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.17 3.60 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 1.06 0.00 0.00 53 G 8.56 4.40 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 54 I 7.14 4.87 1.67 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 1.15 0.97 0.82 0.00 0.00 55 W 9.05 5.40 0.00 3.22 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 56 M 9.00 5.83 0.00 2.10 1.85 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 2.61 2.43 0.00 57 C 8.84 5.08 0.00 3.22 2.94 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 0.00 0.00 0.00 58 G 9.19 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 59 H 8.13 4.35 0.00 3.09 3.33 0.00 5.91 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.06 4.31 0.00 3.08 2.95 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 0.00 0.00 0.00 61 G 8.75 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 0.00 0.00 0.00 62 Y 7.98 4.28 0.00 3.04 2.96 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 63 K 8.43 4.89 0.00 1.72 1.56 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.36 7.81 64 I 9.17 4.41 1.88 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 1.05 0.74 0.81 0.00 0.00 65 A 8.47 4.98 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 66 G 8.37 4.27 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 0.00 67 G 8.58 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 68 C 8.50 3.99 0.00 2.26 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 0.00 0.00 0.00 69 Y 7.85 5.08 0.00 3.12 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 70 Q 8.11 4.70 0.00 2.13 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 71 P 0.00 2.97 0.00 1.62 0.84 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 72 E 7.58 4.82 0.00 1.83 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 2.10 2.10 0.00 73 T 7.99 4.66 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 74 V 8.46 3.57 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 75 A 8.01 4.30 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 76 G 8.29 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.04 4.10 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.62 7.81 78 A 7.73 4.00 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 79 V 7.21 3.54 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 0.87 0.00 0.00 0.96 0.00 0.00 80 M 8.03 4.11 0.00 2.02 2.29 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 2.79 2.68 0.00 81 K 7.98 3.87 0.00 2.01 1.67 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.56 7.81 82 A 6.60 4.17 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