NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9960 8.3549 109.7162 46.0188 0.0000 174.3350 2 H 4.8302 8.3470 121.8495 52.9511 29.7915 173.7296 3 M 4.2102 9.0726 118.9210 57.5261 32.3886 176.1863 4 S 4.4537 8.0148 114.2351 57.7658 67.2419 173.7180 5 G 3.4857 8.8061 115.3737 45.7136 0.0000 171.4590 6 F 4.4880 7.4277 114.6880 56.2225 39.5383 178.1377 7 K 4.1846 8.3521 129.8356 54.1669 30.9680 177.8261 8 H 4.8419 7.1908 108.2178 54.9998 29.4655 174.0686 9 V 4.1979 7.9492 126.7720 62.9108 31.7544 177.2102 10 S 4.0420 8.9023 123.1500 60.6567 63.0806 175.3086 11 H 4.2985 8.5465 118.2836 58.9163 28.5970 178.1387 12 V 3.6312 8.6242 116.3722 62.9542 31.0877 173.6359 13 G 4.2132 8.3429 105.3550 47.3253 0.0000 173.0959 14 W 4.8513 9.0135 128.4981 54.8386 33.3972 173.8927 15 D 4.3101 8.0740 124.3915 51.0546 42.3639 175.0976 16 P 2.9700 0.0000 0.0000 64.8788 31.4696 176.4284 17 Q 4.2059 7.8072 117.6093 57.6096 30.0841 176.1944 18 N 4.4806 8.7061 114.0195 52.7607 38.9001 176.6335 19 G 4.4619 7.5932 108.9522 45.3563 0.0000 172.6318 20 F 4.6550 9.0230 118.5011 57.4320 39.3278 175.8056 21 D 4.6303 9.4007 126.0348 53.6390 39.3030 176.9428 22 V 3.8436 8.2301 118.7402 63.1049 31.9642 177.1887 23 N 4.5719 8.1544 117.8717 55.3307 39.0025 175.1742 24 N 4.9705 8.4234 114.5523 52.6758 39.1671 173.7541 25 L 4.6202 7.8368 120.4507 53.2839 43.4446 176.0779 26 D 4.4266 8.7604 125.3879 54.0890 42.4593 175.0714 27 P 4.3550 0.0000 0.0000 65.8240 31.3650 178.5811 28 D 4.2510 8.0403 117.2041 57.1915 40.8119 178.4695 29 L 3.2656 7.9271 119.4390 57.5841 41.6054 179.4568 30 R 3.8339 8.1822 118.8006 59.3608 29.8910 178.2947 31 S 3.9838 8.1295 113.1939 61.2735 62.3216 175.8226 32 L 3.8140 7.4606 122.6982 58.2980 41.8538 178.9793 33 F 4.4003 7.8054 117.9903 60.7616 38.6059 177.6949 34 S 4.1727 8.0391 111.6863 61.2330 62.1894 176.2130 35 R 4.0405 7.7401 120.0720 59.2208 29.9700 178.6900 36 A 4.1157 8.1279 119.5142 53.6520 18.3880 178.0323 37 G 3.9292 7.8867 104.2561 45.8085 0.0000 174.1534 38 I 4.2849 7.5810 119.6385 61.2258 36.9918 176.2701 39 S 4.5891 8.4809 120.5251 56.5798 65.0902 173.6469 40 E 3.9340 8.7099 122.3903 59.3712 29.4461 178.0807 41 A 4.2383 7.9116 121.2935 54.8595 18.5588 179.3470 42 Q 3.9812 8.1006 115.7792 59.2747 28.8385 179.1525 43 L 4.2044 8.5205 120.3790 57.0646 41.3231 178.6112 44 T 4.7625 7.7796 107.0639 60.6642 69.3175 173.5410 45 D 4.8446 7.9709 121.5366 53.7831 43.9042 175.9654 46 A 4.7030 8.7592 127.3220 54.8073 18.5789 179.9142 47 E 4.0131 8.0076 114.0662 59.5135 30.0290 179.2238 48 T 3.8647 7.9684 116.4291 66.6636 68.5817 176.5275 49 S 4.3414 8.2909 115.9393 61.2887 63.1300 176.1683 50 K 3.9895 8.4115 123.2902 59.5509 31.9289 178.5938 51 L 4.1969 7.9490 118.1552 57.0429 41.5275 179.4141 52 I 3.7274 7.7511 120.4069 64.3633 36.9812 177.6857 53 Y 4.0512 8.0501 120.6678 60.7371 38.5644 177.3916 54 D 4.0722 7.8698 118.9421 57.1389 41.3125 177.8096 55 F 4.0134 8.3549 121.4408 61.6576 39.2528 177.1835 56 I 3.6184 8.1946 119.3821 64.3532 37.0358 178.0433 57 E 3.6127 8.0282 120.0678 58.4954 29.0969 178.2642 58 D 4.1391 7.4370 118.2465 57.1379 41.3113 176.7816 59 Q 4.1159 7.1005 113.8269 55.5359 28.9019 175.7105 60 G 3.9444 7.6833 108.0671 44.5860 0.0000 175.1236 61 G 3.8777 7.0584 106.0375 44.8337 0.0000 172.7915 62 L 4.0043 7.5985 120.2180 58.1839 41.6367 179.4489 63 E 4.0147 8.2698 117.7110 59.1215 29.4538 179.2527 64 A 3.9445 7.8753 120.4204 55.4346 18.4163 180.0465 65 V 3.6534 7.3629 108.9713 64.2659 31.7200 178.7936 66 R 4.0611 7.8946 117.7990 59.2502 29.8513 179.0172 67 Q 4.0062 8.1129 118.0032 58.8580 28.6221 178.4180 68 E 4.0784 8.0832 119.4355 59.5823 29.1770 179.1220 69 M 4.0807 7.5292 118.2930 57.6486 32.0100 177.4489 70 R 4.5609 7.5737 114.8815 55.8283 30.5069 175.9710 71 R 4.3204 7.1281 116.8520 56.7359 32.9573 174.5381 72 Q 3.8070 8.2870 122.7842 56.5666 30.5655 173.1255 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 8.35 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 2 H 8.35 4.83 0.00 3.13 3.16 0.00 5.91 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 M 9.07 4.21 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 4 S 8.01 4.45 0.00 3.87 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 5 G 8.81 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.43 4.49 0.00 2.94 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 7 K 8.35 4.18 0.00 1.88 1.83 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.40 7.81 8 H 7.19 4.84 0.00 3.38 3.39 0.00 5.53 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.95 4.20 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 1.27 0.00 0.00 0.99 0.00 0.00 10 S 8.90 4.04 0.00 3.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.55 4.30 0.00 3.31 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.62 3.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.31 0.00 0.00 13 G 8.34 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 14 W 9.01 4.85 0.00 2.48 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 15 D 8.07 4.31 0.00 2.44 2.23 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 16 P 0.00 2.97 0.00 1.93 1.86 0.00 3.27 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 17 Q 7.81 4.21 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 18 N 8.71 4.48 0.00 2.61 2.73 0.00 0.00 7.05 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 19 G 7.59 4.46 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 0.00 20 F 9.02 4.65 0.00 3.10 3.17 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 21 D 9.40 4.63 0.00 2.65 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 22 V 8.23 3.84 2.15 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 0.98 0.00 0.00 1.04 0.00 0.00 23 N 8.15 4.57 0.00 2.68 3.08 0.00 0.00 7.04 8.86 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 24 N 8.42 4.97 0.00 2.78 2.84 0.00 0.00 6.92 7.91 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 25 L 7.84 4.62 0.00 1.84 1.77 1.05 1.35 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 26 D 8.76 4.43 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.17 2.08 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 28 D 8.04 4.25 0.00 2.98 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.27 0.00 1.66 0.91 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.18 3.83 0.00 1.92 2.05 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 31 S 8.13 3.98 0.00 3.95 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 L 7.46 3.81 0.00 1.61 1.28 0.94 1.20 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 33 F 7.81 4.40 0.00 2.95 2.85 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 34 S 8.04 4.17 0.00 3.96 4.04 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 0.00 0.00 0.00 35 R 7.74 4.04 0.00 2.03 1.96 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 36 A 8.13 4.12 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 37 G 7.89 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 38 I 7.58 4.28 1.92 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.06 0.78 0.00 0.00 39 S 8.48 4.59 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.71 3.93 0.00 2.03 2.00 0.00 0.00 0.00 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 41 A 7.91 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.98 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 43 L 8.52 4.20 0.00 1.92 1.87 1.04 -0.31 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 44 T 7.78 4.76 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 1.34 0.00 0.00 45 D 7.97 4.84 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.70 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 4.01 0.00 2.24 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 2.38 2.42 0.00 48 T 7.97 3.86 4.44 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 1.20 0.00 0.00 49 S 8.29 4.34 0.00 4.26 4.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 3.99 0.00 2.32 2.10 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.60 1.88 7.81 51 L 7.95 4.20 0.00 2.00 1.72 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.75 3.73 2.20 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.88 0.58 0.00 0.00 53 Y 8.05 4.05 0.00 1.95 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.87 4.07 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 4.01 0.00 3.20 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 56 I 8.19 3.62 2.01 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.20 0.98 0.00 0.00 57 E 8.03 3.61 0.00 1.24 1.58 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 2.01 1.74 0.00 58 D 7.44 4.14 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.10 4.12 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 5.11 0.00 0.00 0.00 0.00 0.00 2.53 2.15 0.00 60 G 7.68 3.94 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 0.00 0.00 0.00 61 G 7.06 3.88 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 0.00 0.00 0.00 62 L 7.60 4.00 0.00 1.82 1.80 1.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.27 4.01 0.00 1.99 2.01 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 2.43 2.34 0.00 64 A 7.88 3.94 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.36 3.65 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 0.72 0.00 0.00 1.05 0.00 0.00 66 R 7.89 4.06 0.00 2.07 1.96 0.00 3.28 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 67 Q 8.11 4.01 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 68 E 8.08 4.08 0.00 2.17 2.01 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 2.36 2.41 0.00 69 M 7.53 4.08 0.00 1.93 2.39 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 70 R 7.57 4.56 0.00 1.77 1.91 0.00 3.18 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 71 R 7.13 4.32 0.00 1.72 1.92 0.00 3.54 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 72 Q 8.29 3.81 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.33 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00