NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.3740 8.1627 120.3444 55.0526 34.5064 176.7989 5002 E 4.1808 7.9538 118.4093 58.0336 30.2851 176.2724 5003 T 3.8093 7.9545 115.5604 66.5532 68.9662 175.6902 5004 L 3.9788 7.7941 121.7889 57.5719 42.1666 178.8502 5005 K 3.7020 7.3270 120.3246 59.5584 32.0672 178.4076 5006 I 3.5510 7.8348 120.1199 64.8194 37.0293 178.0425 5007 T 3.8413 8.0870 115.6682 67.1491 68.3535 176.1454 5008 V 3.6448 7.8332 119.3045 66.6688 31.5683 177.8448 5009 Y 4.3565 8.0937 116.0323 61.1803 37.6086 178.5541 5010 I 3.7706 8.1724 120.8938 64.5281 37.1738 178.4184 5011 V 3.8474 8.3834 119.1605 66.4145 31.3679 178.2984 5012 V 3.7272 8.8830 118.9446 66.2724 31.2364 178.1729 5013 T 3.9513 8.6938 116.0829 66.2966 68.3153 176.2370 5014 F 4.3049 8.7277 123.0488 61.7633 39.3793 177.3817 5015 F 3.7372 8.3928 117.2364 60.3578 38.7021 177.8595 5016 V 3.6627 8.1778 118.0266 66.2529 31.2448 177.6529 5017 L 3.8395 8.4642 119.1926 57.2807 41.3857 179.1819 5018 L 3.8886 7.9058 118.5734 58.0175 41.4249 179.5814 5019 F 3.9917 8.2887 120.1401 61.3170 39.4882 177.1306 5020 V 3.5247 7.8166 117.6306 66.0417 31.3096 177.8944 5021 F 4.3999 7.8817 117.3211 60.7632 38.6374 177.7083 5022 G 3.8583 8.0519 104.2287 48.1585 0.0000 175.0384 5023 F 4.4771 7.5576 119.0629 59.9441 38.8401 178.1014 5024 L 4.2081 7.8340 118.2430 57.5335 41.1167 180.2706 5025 S 4.5700 8.5183 114.4961 57.4851 63.9220 174.4056 5026 G 3.9094 9.1727 111.5779 46.5854 0.0000 174.6202 5027 D 4.5509 8.5230 121.7136 56.9840 42.1785 176.5412 5028 P 4.1540 0.0000 0.0000 65.7305 31.5993 176.8553 5029 A 4.0368 7.4746 120.2476 55.3103 18.1504 178.0932 5030 R 4.0465 8.1505 117.4122 57.0749 28.8253 175.7735 5031 N 4.2277 8.3970 119.2687 51.9041 38.6675 173.1257 5032 P 4.0547 0.0000 0.0000 65.0625 31.7103 177.1805 5033 K 4.2812 7.4388 122.9137 55.5981 34.9330 177.8655 5034 R 4.0249 8.8598 126.4424 61.3895 28.1056 176.6905 5035 K 4.8362 7.2005 122.6127 57.1802 33.0504 173.5875 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 5001 M 8.16 4.37 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 5002 E 7.95 4.18 0.00 2.16 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 2.28 2.47 0.00 5003 T 7.95 3.81 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 1.20 0.00 0.00 5004 L 7.79 3.98 0.00 1.73 1.62 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5005 K 7.33 3.70 0.00 1.88 1.77 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.59 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.66 1.00 7.81 5006 I 7.83 3.55 2.00 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 1.50 0.53 0.92 0.00 0.00 5007 T 8.09 3.84 4.38 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 0.00 0.00 0.00 1.23 0.00 0.00 5008 V 7.83 3.64 2.22 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 1.13 0.00 0.00 1.02 0.00 0.00 5009 Y 8.09 4.36 0.00 3.15 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 5010 I 8.17 3.77 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.03 0.96 0.00 0.00 5011 V 8.38 3.85 2.36 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 1.18 0.00 0.00 1.06 0.00 0.00 5012 V 8.88 3.73 2.17 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 0.98 0.00 0.00 1.03 0.00 0.00 5013 T 8.69 3.95 4.50 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 0.00 0.00 0.00 1.28 0.00 0.00 5014 F 8.73 4.30 0.00 3.06 3.39 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 5015 F 8.39 3.74 0.00 3.09 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 5016 V 8.18 3.66 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 1.03 0.00 0.00 0.97 0.00 0.00 5017 L 8.46 3.84 0.00 1.94 1.84 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5018 L 7.91 3.89 0.00 1.62 1.57 0.17 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 5019 F 8.29 3.99 0.00 3.12 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 5020 V 7.82 3.52 1.63 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 0.84 0.00 0.00 1.01 0.00 0.00 5021 F 7.88 4.40 0.00 3.12 2.98 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 5022 G 8.05 3.86 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 0.00 0.00 0.00 5023 F 7.56 4.48 0.00 2.82 2.89 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 5024 L 7.83 4.21 0.00 2.05 1.82 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 5025 S 8.52 4.57 0.00 3.93 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 5026 G 9.17 3.91 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 0.00 0.00 0.00 5027 D 8.52 4.55 0.00 3.15 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 5028 P 0.00 4.15 0.00 2.08 2.15 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 5029 A 7.47 4.04 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 5030 R 8.15 4.05 0.00 1.81 1.95 0.00 3.39 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 5031 N 8.40 4.23 0.00 2.81 2.78 0.00 0.00 6.27 7.75 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 5032 P 0.00 4.05 0.00 2.07 2.12 0.00 3.71 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 2.04 2.17 0.00 5033 K 7.44 4.28 0.00 1.70 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.42 7.81 5034 R 8.86 4.02 0.00 1.92 2.15 0.00 3.20 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 5035 K 7.20 4.84 0.00 1.81 2.04 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.45 7.81