NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5896 8.3644 120.3178 52.7454 41.0939 175.0317 3 Q 3.8321 8.1790 120.1095 55.6580 29.3592 174.6923 4 L 4.2054 8.3869 126.1799 55.8707 43.7421 176.5028 5 T 4.6455 8.4690 115.7550 59.9482 72.3805 175.5867 6 E 3.9530 8.5236 121.2151 59.4256 29.4488 179.1485 7 E 3.8616 8.0999 118.9203 59.4399 29.6211 178.8450 8 Q 3.5505 7.9550 117.8485 58.7463 28.6465 178.6066 9 I 3.6566 7.5271 120.5343 64.4904 37.1510 178.3219 10 A 4.0008 8.1885 121.6618 55.1055 18.1570 179.4394 11 E 3.9636 8.1729 117.1189 59.7040 29.4683 179.6815 12 F 4.7949 8.2149 118.0404 60.7938 38.9746 177.9670 13 K 4.3305 8.7456 118.3910 59.5834 31.8403 179.3596 14 E 4.0449 8.9153 119.1913 59.2684 28.8812 179.2611 15 A 4.2187 8.5061 120.8888 55.2865 18.6047 179.2625 16 F 3.1588 8.7351 119.4231 61.5558 39.1680 177.5847 17 S 4.2030 8.3024 113.6534 61.2475 62.6452 175.8064 18 L 3.9813 7.8605 122.4594 58.2815 41.7728 178.9814 19 F 4.0335 7.5061 115.0450 59.8442 40.6890 176.9833 20 D 4.4715 7.9619 119.4133 53.1687 37.2491 176.9403 21 K 3.9926 7.7816 120.6631 58.6287 32.9009 178.0310 22 D 4.5436 7.9291 116.4549 52.5075 39.6843 176.9426 23 G 3.9482 8.0913 107.6297 46.7508 0.0000 174.3011 24 D 4.5016 8.3242 117.0800 53.2952 39.7573 177.3852 25 G 4.1916 9.8499 109.0168 45.6770 0.0000 173.1063 26 T 5.1282 7.8912 112.2137 60.4199 71.0700 173.0376 27 I 4.5786 9.0376 128.7065 60.1367 38.9249 175.8368 28 T 4.7461 8.7228 118.4308 60.5320 70.8094 176.0511 29 T 3.8690 8.6482 112.3926 64.8598 68.3714 176.2874 30 K 3.9339 8.0062 121.0296 59.8999 32.4707 178.8351 31 E 3.9372 8.1899 120.1725 58.8152 29.3291 179.1146 32 L 4.3268 8.3729 120.7853 58.1240 42.1225 179.2068 33 G 3.6376 8.5116 106.1022 48.0675 0.0000 175.6807 34 T 3.8526 8.0619 118.2054 66.4962 68.2986 176.8832 35 V 3.4457 7.5433 119.8791 66.1394 31.4807 177.8891 36 M 4.1017 8.2940 118.6043 58.6280 31.7131 179.0341 37 R 4.3842 8.7545 120.1744 58.5457 29.9944 179.0493 38 S 4.1155 8.0489 113.5049 61.0451 62.7713 175.6403 39 L 4.5032 7.3045 120.1547 54.0532 41.5406 177.3470 40 G 3.8864 8.0894 107.0586 45.8907 0.0000 173.9612 41 Q 4.4956 7.8200 118.7988 54.6690 30.8035 174.8380 42 N 5.2486 8.1318 115.5451 51.9033 38.9412 172.5380 43 P 4.6062 0.0000 0.0000 62.7678 32.8829 177.3610 44 T 4.3177 9.2044 111.7092 60.7038 71.2390 175.5217 45 E 3.8750 8.6587 120.8683 59.5427 29.4721 178.5245 46 A 4.0156 7.9760 120.0923 55.2293 18.5003 179.2547 47 E 3.9193 8.1558 116.9594 59.5824 29.5658 179.5825 48 L 4.0217 8.1995 119.2310 57.8223 41.6792 179.3908 49 Q 3.9756 8.4629 119.9197 59.2614 28.9384 177.8468 50 D 4.4206 8.4611 120.3092 57.7645 40.6254 178.8309 51 M 4.0675 7.8328 117.9784 58.4733 32.2808 178.6282 52 I 3.8689 7.8969 119.8857 64.4901 37.3670 178.0624 53 N 4.3170 8.6608 117.7038 56.6195 38.0989 177.1917 54 E 4.1472 7.9298 118.6901 58.4517 29.5876 178.0792 55 V 4.3226 7.6193 108.5212 60.9036 33.4580 176.2218 56 D 4.7544 7.5911 120.8286 52.4415 39.5100 176.2134 57 A 3.9669 8.2166 125.9981 54.6787 18.8485 178.6223 58 D 4.5374 8.4775 112.2469 52.9054 39.7708 176.9336 59 G 3.9309 8.0482 107.3886 46.7346 0.0000 174.2474 60 N 4.5322 8.3530 114.6365 52.7075 37.5862 176.1774 61 G 3.9883 9.5250 108.7907 45.3991 0.0000 172.9383 62 T 4.8470 7.6109 107.7250 59.9571 72.7479 173.3287 63 I 4.6536 8.6760 123.3707 60.2270 38.8030 175.8759 64 D 5.1902 8.9426 127.8051 52.1185 42.2010 177.5214 65 F 3.2568 8.5985 119.3872 60.7128 39.0058 174.9119 66 P 4.1031 0.0000 0.0000 66.0242 31.2627 177.7591 67 E 4.0240 8.6390 118.2575 59.0998 29.3802 178.9424 68 F 4.1220 8.6038 121.0993 61.3002 39.4786 176.9984 69 L 3.4236 7.4280 118.1552 57.8266 41.0243 179.3858 70 T 3.7147 7.2905 114.7297 67.0045 68.7210 176.0169 71 M 3.9823 7.5183 120.2307 58.6016 31.7087 178.7647 72 M 3.8778 7.1862 116.7411 57.8148 32.1391 177.7843 73 A 4.1654 7.2740 118.7508 52.3230 19.4584 178.0049 74 R 3.9283 7.0783 116.3540 56.2964 30.7845 177.0244 75 K 4.1730 8.4429 119.7300 56.5928 32.4781 176.1409 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 2 D 8.36 4.59 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 3.83 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 4 L 8.39 4.21 0.00 1.69 1.62 1.15 1.02 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 5 T 8.47 4.65 4.22 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 1.25 0.00 0.00 6 E 8.52 3.95 0.00 1.98 2.02 0.00 0.00 0.00 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 2.30 0.00 7 E 8.10 3.86 0.00 1.99 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 2.44 2.37 0.00 8 Q 7.96 3.55 0.00 2.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 9 I 7.53 3.66 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 0.96 0.00 0.00 10 A 8.19 4.00 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 11 E 8.17 3.96 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 2.33 2.44 0.00 12 F 8.21 4.79 0.00 3.53 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 13 K 8.75 4.33 0.00 1.88 1.92 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.65 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.79 7.81 14 E 8.92 4.04 0.00 2.13 2.08 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 2.38 2.52 0.00 15 A 8.51 4.22 1.88 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 16 F 8.74 3.16 0.00 3.17 3.37 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 17 S 8.30 4.20 0.00 4.17 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 18 L 7.86 3.98 0.00 1.58 1.89 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.51 4.03 0.00 2.81 2.91 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 20 D 7.96 4.47 0.00 1.79 2.20 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 21 K 7.78 3.99 0.00 1.74 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.48 7.81 22 D 7.93 4.54 0.00 2.75 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 23 G 8.09 3.95 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 0.00 0.00 0.00 24 D 8.32 4.50 0.00 2.80 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 25 G 9.85 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 0.00 0.00 0.00 0.00 26 T 7.89 5.13 4.33 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 1.36 0.00 0.00 27 I 9.04 4.58 1.82 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.05 0.92 0.00 0.00 28 T 8.72 4.75 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 1.22 0.00 0.00 29 T 8.65 3.87 4.34 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 1.26 0.00 0.00 30 K 8.01 3.93 0.00 2.00 2.12 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.54 7.81 31 E 8.19 3.94 0.00 2.27 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 2.33 2.30 0.00 32 L 8.37 4.33 0.00 1.91 1.89 1.10 1.30 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 33 G 8.51 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.06 3.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 35 V 7.54 3.45 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 0.76 0.00 0.00 0.24 0.00 0.00 36 M 8.29 4.10 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.92 0.00 37 R 8.75 4.38 0.00 1.94 1.96 0.00 3.14 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 38 S 8.05 4.12 0.00 3.98 4.06 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 39 L 7.30 4.50 0.00 1.81 1.74 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.09 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 41 Q 7.82 4.50 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 42 N 8.13 5.25 0.00 2.62 2.68 0.00 0.00 7.04 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 43 P 0.00 4.61 0.00 2.23 2.05 0.00 3.82 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 2.00 1.97 0.00 44 T 9.20 4.32 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 1.21 0.00 0.00 45 E 8.66 3.87 0.00 2.10 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 2.39 2.46 0.00 46 A 7.98 4.02 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 47 E 8.16 3.92 0.00 2.33 2.02 0.00 0.00 0.00 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 2.36 0.00 48 L 8.20 4.02 0.00 1.87 1.74 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.46 3.98 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 8.46 4.42 0.00 2.88 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 51 M 7.83 4.07 0.00 2.01 2.33 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 2.78 2.59 0.00 52 I 7.90 3.87 2.15 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 0.98 0.00 0.00 53 N 8.66 4.32 0.00 2.96 2.88 0.00 0.00 7.06 7.67 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 54 E 7.93 4.15 0.00 2.10 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 2.54 2.48 0.00 55 V 7.62 4.32 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 0.60 0.00 0.00 0.94 0.00 0.00 56 D 7.59 4.75 0.00 2.88 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 57 A 8.22 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.54 0.00 2.82 2.79 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 59 G 8.05 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 60 N 8.35 4.53 0.00 2.86 2.95 0.00 0.00 7.04 7.63 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 61 G 9.52 3.99 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 0.00 0.00 0.00 62 T 7.61 4.85 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 1.23 0.00 0.00 63 I 8.68 4.65 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 1.10 0.00 0.00 64 D 8.94 5.19 0.00 2.83 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 65 F 8.60 3.26 0.00 2.12 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 66 P 0.00 4.10 0.00 2.23 2.19 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 67 E 8.64 4.02 0.00 2.22 2.20 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 2.38 2.41 0.00 68 F 8.60 4.12 0.00 3.29 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 69 L 7.43 3.42 0.00 1.58 1.27 0.68 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.29 3.71 4.24 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 1.11 0.00 0.00 71 M 7.52 3.98 0.00 1.69 1.46 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 72 M 7.19 3.88 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.76 0.00 73 A 7.27 4.17 1.22 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 0.00 0.00 74 R 7.08 3.93 0.00 1.85 1.83 0.00 3.02 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 75 K 8.44 4.17 0.00 1.69 1.66 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.36 7.81