NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2461 8.3049 120.3510 53.7097 34.0575 174.2359 2 K 3.4864 8.0810 115.6667 56.5559 28.1362 173.0326 3 R 4.2000 7.6834 123.2322 55.2750 31.6719 177.4133 4 T 5.1471 7.3711 124.6226 63.1199 69.5483 172.8380 5 Y 4.1841 8.0862 120.3805 60.9243 38.9963 175.9241 6 Q 3.6986 7.3875 119.4462 54.5512 26.3711 175.2737 7 P 4.6475 0.0000 0.0000 62.5017 32.5701 176.6627 8 N 4.9596 8.1856 116.0566 51.7463 40.9741 176.8081 9 N 3.2365 9.0780 112.7526 53.3871 39.4093 178.4260 10 R 2.9853 7.7287 120.6121 57.3403 33.7573 180.2064 11 K 4.1843 8.5715 118.0653 57.1111 31.7117 181.8714 12 R 3.3042 8.7987 108.4124 57.8447 34.1245 178.1656 13 A 3.8286 9.8798 118.7996 56.0821 18.9160 179.8309 14 K 4.4804 6.0329 109.7805 54.6653 33.4972 182.1841 15 T 2.7633 7.6492 117.1427 61.8930 72.6963 170.9820 16 H 4.8658 8.0612 123.0471 52.5647 30.9590 175.2478 17 G 4.0351 9.0759 111.8941 47.0612 0.0000 175.5030 18 F 2.9801 8.6362 120.9010 56.9577 42.0935 179.4918 19 R 3.7273 8.4567 114.4148 55.5513 34.1255 182.0566 20 A 3.0780 9.9943 126.5100 53.1176 19.6510 180.9233 21 R 3.2951 7.8156 118.8464 56.7539 32.7682 178.4605 22 M 3.5615 9.9519 112.7053 58.9375 32.3844 181.0234 23 K 4.6909 7.8641 121.8221 59.7664 33.6497 176.6280 24 T 4.1709 8.0379 112.8171 61.0857 68.6306 174.4479 25 K 4.1766 9.0511 126.0922 57.3866 31.8762 180.9377 26 S 3.1908 8.5803 111.5725 58.9776 65.5821 177.6781 27 G 3.1203 6.4927 103.6527 47.6052 0.0000 177.1254 28 R 3.2826 7.1689 114.2229 56.8922 32.7096 178.9447 29 N 4.5685 9.4215 111.3124 53.4104 40.8642 179.6447 30 I 3.0200 8.3172 120.8622 65.1777 38.2410 176.5036 31 L 3.3247 7.8542 114.3596 57.7844 41.8513 178.8232 32 A 4.3012 6.9788 130.6397 55.3624 20.7982 180.3846 33 R 3.8600 9.4495 111.0576 58.7377 28.3400 180.2176 34 R 3.2101 8.6929 120.4442 58.1552 35.0784 178.0225 35 R 3.6744 8.9407 105.6510 55.0861 33.1355 179.6407 36 A 3.4370 10.2734 126.6419 56.3941 17.1218 184.0495 37 K 3.8089 8.2897 114.8349 57.0561 34.6299 175.2030 38 G 4.0619 9.3438 111.8060 47.5890 0.0000 173.3882 39 R 4.3523 8.8651 113.9676 53.6277 28.3546 179.8934 40 H 3.9033 9.0257 124.8750 57.8518 27.5617 172.5718 41 Q 4.4268 9.9949 121.1345 55.9949 30.1559 176.4088 42 L 4.9331 5.6200 125.1892 54.4317 47.1523 175.7499 43 T 4.7141 8.0064 105.5999 62.1566 67.5509 177.6249 44 V 3.0396 7.8757 117.1186 65.4846 33.0766 177.0542 45 S 4.0750 6.2051 110.3954 59.7559 63.3329 174.1164 46 D 4.3185 10.3035 126.6800 53.7890 39.3312 175.0597 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 4.25 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 2 K 8.08 3.49 0.00 2.00 1.83 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.54 7.81 3 R 7.68 4.20 0.00 2.14 2.30 0.00 3.43 0.00 0.00 3.35 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 4 T 7.37 5.15 3.97 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 1.15 0.00 0.00 5 Y 8.09 4.18 0.00 2.96 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 6 Q 7.39 3.70 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 7 P 0.00 4.65 0.00 2.20 2.08 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 8 N 8.19 4.96 0.00 2.74 2.73 0.00 0.00 6.92 6.92 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 9 N 9.08 3.24 0.00 2.75 2.59 0.00 0.00 7.30 7.66 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 10 R 7.73 2.99 0.00 1.92 1.87 0.00 3.15 0.00 0.00 3.27 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 11 K 8.57 4.18 0.00 1.82 1.59 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 R 8.80 3.30 0.00 1.97 2.25 0.00 3.32 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 13 A 9.88 3.83 1.36 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 0.00 0.00 0.00 14 K 6.03 4.48 0.00 1.81 0.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.82 7.81 15 T 7.65 2.76 4.18 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 0.00 0.00 0.00 1.20 0.00 0.00 16 H 8.06 4.87 0.00 3.23 3.20 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.08 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 0.00 0.00 0.00 18 F 8.64 2.98 0.00 3.14 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 19 R 8.46 3.73 0.00 2.06 0.89 0.00 3.19 0.00 0.00 3.38 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 20 A 9.99 3.08 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 21 R 7.82 3.30 0.00 2.30 1.96 0.00 3.16 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 22 M 9.95 3.56 0.00 1.94 2.00 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 2.71 2.79 0.00 23 K 7.86 4.69 0.00 1.95 1.89 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 24 T 8.04 4.17 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 1.37 0.00 0.00 25 K 9.05 4.18 0.00 1.86 1.61 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.43 7.81 26 S 8.58 3.19 0.00 4.00 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 27 G 6.49 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 0.00 0.00 0.00 28 R 7.17 3.28 0.00 2.14 1.81 0.00 3.17 0.00 0.00 3.18 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.22 0.00 29 N 9.42 4.57 0.00 3.10 2.51 0.00 0.00 7.33 6.81 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 30 I 8.32 3.02 1.87 0.00 0.00 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 1.41 1.04 0.90 0.00 0.00 31 L 7.85 3.32 0.00 1.84 1.54 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 32 A 6.98 4.30 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 33 R 9.45 3.86 0.00 2.81 1.46 0.00 3.26 0.00 0.00 3.14 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 34 R 8.69 3.21 0.00 1.76 2.05 0.00 3.23 0.00 0.00 3.36 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 35 R 8.94 3.67 0.00 2.05 1.07 0.00 3.29 0.00 0.00 3.19 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 36 A 10.27 3.44 1.16 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 37 K 8.29 3.81 0.00 2.09 2.20 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 38 G 9.34 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 0.00 0.00 0.00 39 R 8.87 4.35 0.00 1.79 1.33 0.00 3.28 0.00 0.00 3.18 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 40 H 9.03 3.90 0.00 3.25 3.18 0.00 5.84 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.99 4.43 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.23 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 42 L 5.62 4.93 0.00 1.62 1.47 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.01 4.71 4.08 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 1.09 0.00 0.00 44 V 7.88 3.04 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 1.08 0.00 0.00 0.89 0.00 0.00 45 S 6.21 4.07 0.00 4.05 3.97 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 46 D 10.30 4.32 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00