NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2647 8.2549 119.7142 56.5618 31.2536 177.6670 2 C 4.6871 7.8030 113.9379 54.6296 41.8667 172.9024 3 G 4.0683 8.7236 116.1153 43.6359 0.0000 171.4614 4 A 4.2518 8.3331 125.1207 53.4787 18.8075 178.1009 5 G 3.9636 9.5188 112.1396 44.9625 0.0000 173.2324 6 E 4.4841 7.6891 119.2454 54.0552 29.8803 174.4091 7 P 5.3100 0.0000 0.0000 61.6428 32.0374 176.7344 8 W 4.1750 8.6338 129.8307 57.8593 31.1961 176.2367 9 G 4.3948 7.9950 109.5674 44.6215 0.0000 173.5358 10 N 5.2245 8.8358 115.1868 51.3234 40.2431 174.8731 11 A 4.8440 8.0132 120.0653 50.6009 22.3594 176.2922 12 T 3.7268 9.0885 114.3429 62.6443 67.8155 172.2628 13 N 4.6567 8.5311 125.7671 53.6245 39.3470 175.1144 14 L 3.9919 7.4836 116.9132 55.1075 44.5484 175.9678 15 G 3.6126 7.9783 102.8972 44.8132 0.0000 174.1606 16 V 3.9677 5.4500 115.8058 60.2877 33.6587 173.1261 17 P 5.4057 0.0000 0.0000 62.6749 32.5383 176.0980 18 C 4.8846 8.5570 120.9722 56.9042 40.6953 173.5614 19 L 4.3093 8.8154 126.7599 54.2800 43.2088 175.9307 20 H 4.5345 8.4450 118.6353 55.0880 29.3729 177.1752 21 W 4.0814 8.5988 123.6102 59.6516 29.0134 177.0469 22 D 4.8805 8.3310 115.9311 55.4273 40.9183 176.2808 23 E 4.5109 8.1035 117.1341 56.4517 29.6905 175.7341 24 V 3.6760 7.6421 120.3060 61.2004 31.8879 174.0474 25 P 4.4204 0.0000 0.0000 61.9611 31.7057 174.6543 26 P 4.1073 0.0000 0.0000 65.1396 31.1489 175.9780 27 F 4.5667 7.9355 117.3652 55.7700 38.3888 174.3369 28 L 4.7108 8.0859 127.0253 53.1356 43.9863 176.4516 29 E 4.1636 8.2821 121.1904 58.8837 29.7753 177.5177 30 R 4.6793 7.6689 115.6999 54.6697 31.7841 175.6284 31 S 4.7315 8.5972 115.8417 56.2722 61.9419 172.1854 32 P 3.7155 0.0000 0.0000 61.5883 31.9459 175.6775 33 P 4.3007 0.0000 0.0000 64.8064 31.5999 175.9065 34 A 4.6848 7.1880 119.0232 49.8971 22.2042 175.5423 35 S 4.2171 8.6738 114.6301 58.1468 62.0564 173.8394 36 W 4.5933 8.2936 124.3278 56.0812 28.4889 177.8018 37 A 3.6063 7.4171 122.3556 54.5303 17.7968 178.1590 38 E 4.5127 7.7452 113.0894 55.9868 29.8403 176.9784 39 L 3.8148 8.1441 121.8745 55.8397 41.8161 177.5350 40 R 4.3296 7.8022 115.8336 57.5872 27.7566 176.3076 41 G 4.1422 7.0279 101.6010 45.0548 0.0000 176.4331 42 Q 4.3328 8.5723 120.1164 58.3922 28.8317 177.9848 43 P 4.3851 0.0000 0.0000 64.9703 31.5179 174.7821 44 H 5.2956 8.4650 113.9739 53.4595 31.5617 171.3875 45 N 5.1604 8.4355 115.8960 50.7611 39.1279 173.5600 46 F 5.0224 8.7547 121.9893 57.5651 42.1210 173.7803 47 C 4.4055 8.0861 123.2529 58.1359 39.0280 173.4805 48 R 4.5888 8.9482 120.3472 54.4620 34.3041 174.6001 49 S 4.6905 8.1689 114.6900 56.1375 62.5789 171.6123 50 P 4.3274 0.0000 0.0000 63.9775 32.0472 176.5617 51 D 4.7291 8.1403 119.4763 53.2076 41.3419 177.2133 52 G 3.7196 8.8084 111.6612 46.8385 0.0000 173.4084 53 A 4.2335 7.9657 121.6540 51.9528 18.9041 178.2074 54 G 3.7792 8.1679 104.0751 45.9766 0.0000 173.7450 55 R 4.5788 7.9464 120.4492 54.0691 30.4769 174.1721 56 P 4.9674 0.0000 0.0000 62.6928 33.1800 175.1182 57 W 5.7051 9.0435 117.8865 56.0475 32.0181 170.5232 58 C 5.4302 9.1472 115.2698 54.0260 44.0219 172.1389 59 F 5.3338 7.5443 117.1440 56.5178 40.2880 174.8224 60 Y 5.7151 8.9655 122.2287 54.6543 40.5642 174.4312 61 R 5.1214 8.6312 122.1794 54.7200 32.4139 174.6938 62 N 4.9890 8.9643 123.7983 50.8243 40.6306 174.9849 63 A 4.2558 8.4653 119.0086 52.7828 18.2783 178.0070 64 Q 4.2543 8.1331 115.5248 56.6527 29.2864 176.9528 65 G 3.9301 8.2577 106.6720 44.9743 0.0000 173.4477 66 K 4.8365 7.7308 118.4484 54.3548 34.1492 176.1333 67 V 4.5182 8.0814 121.5928 61.6611 34.4597 173.4798 68 D 5.3867 7.8620 128.4897 52.0336 45.0829 174.5896 69 W 5.3243 8.4182 115.1392 55.3792 31.0362 175.2430 70 G 4.1099 9.3804 107.6183 44.8712 0.0000 171.8858 71 Y 4.9481 8.5532 120.3867 58.1048 39.3649 176.6480 72 C 5.2266 9.7839 123.2676 55.8430 38.4528 173.8739 73 D 4.5807 8.1879 117.0622 53.1106 42.8028 177.5689 74 C 4.6904 7.9434 116.4593 55.4377 42.1335 172.7604 75 G 5.0823 6.9722 113.4837 46.1318 0.0000 173.5876 76 Q 4.5937 8.2140 115.6167 54.9915 30.1470 175.5962 77 G 3.7434 8.1152 111.7008 45.7728 0.0000 173.1530 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 R 8.25 4.26 0.00 1.85 2.01 0.00 3.13 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 2 C 7.80 4.69 0.00 3.04 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 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 0.00 0.00 0.00 4 A 8.33 4.25 1.26 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 0.00 0.00 0.00 5 G 9.52 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 6 E 7.69 4.48 0.00 2.19 1.96 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 2.30 2.43 0.00 7 P 0.00 5.31 0.00 1.92 1.88 0.00 3.77 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 8 W 8.63 4.17 0.00 3.38 3.24 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 G 8.00 4.39 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 0.00 10 N 8.84 5.22 0.00 2.97 2.88 0.00 0.00 6.64 8.13 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 11 A 8.01 4.84 0.85 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 0.00 0.00 12 T 9.09 3.73 4.13 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 1.56 0.00 0.00 13 N 8.53 4.66 0.00 3.12 2.71 0.00 0.00 6.67 6.66 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 14 L 7.48 3.99 0.00 1.48 1.42 0.71 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.98 3.61 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 0.00 0.00 0.00 16 V 5.45 3.97 1.70 0.00 0.00 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 0.68 0.00 0.00 17 P 0.00 5.41 0.00 2.12 2.00 0.00 3.91 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 2.11 1.94 0.00 18 C 8.56 4.88 0.00 2.83 2.83 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 0.00 0.00 0.00 19 L 8.82 4.31 0.00 1.51 1.42 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.44 4.53 0.00 3.30 3.24 0.00 5.87 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 21 W 8.60 4.08 0.00 3.45 3.42 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 22 D 8.33 4.88 0.00 2.77 2.83 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 0.00 0.00 0.00 23 E 8.10 4.51 0.00 2.20 1.96 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 2.30 2.40 0.00 24 V 7.64 3.68 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 0.23 0.00 0.00 0.48 0.00 0.00 25 P 0.00 4.42 0.00 2.41 2.06 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 1.93 1.92 0.00 26 P 0.00 4.11 0.00 1.70 2.07 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 27 F 7.94 4.57 0.00 3.08 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 28 L 8.09 4.71 0.00 1.58 1.61 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.28 4.16 0.00 2.20 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 0.00 2.34 2.28 0.00 30 R 7.67 4.68 0.00 2.08 2.21 0.00 3.34 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.46 0.00 31 S 8.60 4.73 0.00 3.93 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 32 P 0.00 3.72 0.00 2.80 2.59 0.00 3.93 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 33 P 0.00 4.30 0.00 2.00 1.94 0.00 2.20 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 1.17 0.44 0.00 34 A 7.19 4.68 1.37 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 35 S 8.67 4.22 0.00 3.82 3.78 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 36 W 8.29 4.59 0.00 3.38 3.26 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 0.00 37 A 7.42 3.61 0.98 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 0.00 0.00 38 E 7.75 4.51 0.00 1.88 1.90 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 2.15 2.21 0.00 39 L 8.14 3.81 0.00 1.28 0.96 -0.16 0.51 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 40 R 7.80 4.33 0.00 1.86 1.96 0.00 3.12 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 41 G 7.03 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 42 Q 8.57 4.33 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 7.70 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 43 P 0.00 4.39 0.00 2.26 2.26 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 44 H 8.47 5.30 0.00 3.50 3.55 0.00 5.40 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.44 5.16 0.00 2.80 2.61 0.00 0.00 6.01 7.41 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 46 F 8.75 5.02 0.00 3.18 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 47 C 8.09 4.41 0.00 2.45 2.92 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 48 R 8.95 4.59 0.00 0.88 1.25 0.00 3.00 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.50 0.00 49 S 8.17 4.69 0.00 3.78 3.69 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 50 P 0.00 4.33 0.00 2.20 2.05 0.00 3.57 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 51 D 8.14 4.73 0.00 2.94 2.74 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 52 G 8.81 3.72 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 0.00 0.00 0.00 53 A 7.97 4.23 1.31 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 0.00 0.00 54 G 8.17 3.78 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 0.00 0.00 0.00 55 R 7.95 4.58 0.00 1.89 2.11 0.00 3.40 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.07 0.00 56 P 0.00 4.97 0.00 2.16 2.15 0.00 3.92 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 57 W 9.04 5.71 0.00 3.54 3.23 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 58 C 9.15 5.43 0.00 2.54 3.20 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 59 F 7.54 5.33 0.00 2.50 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 60 Y 8.97 5.72 0.00 3.02 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 61 R 8.63 5.12 0.00 1.76 1.82 0.00 3.18 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 62 N 8.96 4.99 0.00 2.91 3.06 0.00 0.00 6.79 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 63 A 8.47 4.26 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 64 Q 8.13 4.25 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 65 G 8.26 3.93 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 0.00 0.00 0.00 66 K 7.73 4.84 0.00 1.85 1.69 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.33 7.81 67 V 8.08 4.52 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 0.91 0.00 0.00 0.85 0.00 0.00 68 D 7.86 5.39 0.00 1.78 2.25 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 69 W 8.42 5.32 0.00 3.12 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.38 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 0.00 0.00 0.00 71 Y 8.55 4.95 0.00 3.01 3.20 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 72 C 9.78 5.23 0.00 2.91 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 0.00 73 D 8.19 4.58 0.00 2.66 2.71 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 74 C 7.94 4.69 0.00 3.26 3.24 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 75 G 6.97 5.08 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 76 Q 8.21 4.59 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 77 G 8.12 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