NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4572 8.1633 118.3246 55.2926 33.5751 173.5084 2 Q 5.3999 8.4719 118.3504 51.8059 31.0360 173.4153 3 I 4.5515 8.7261 117.3850 58.8944 41.9957 173.6562 4 F 5.4272 8.7284 120.6085 55.6881 42.7005 174.7635 5 V 4.6726 9.2166 122.4288 61.1731 34.1784 174.2538 6 K 4.9660 9.0721 129.1702 55.6802 33.4295 176.9229 7 T 4.7666 8.4918 115.3493 60.3372 71.1794 175.5432 8 L 4.3604 8.5930 120.6456 56.1333 41.9875 177.7711 9 T 4.3080 7.9163 108.2041 61.3101 68.9713 175.1751 10 G 3.8791 7.9659 108.0319 45.8435 0.0000 173.5231 11 K 4.6357 7.7963 117.9529 54.7472 34.9513 175.8311 12 T 4.8874 8.3161 118.9239 61.9495 71.0464 173.5739 13 I 4.3008 9.0093 129.4466 60.6586 38.7022 175.1426 14 T 5.0256 8.6182 117.6378 60.1628 70.2827 173.8187 15 L 4.7538 8.6805 126.4856 52.6974 45.1914 175.0296 16 E 4.8571 8.5767 122.5621 54.9945 30.7402 175.1602 17 V 4.7625 8.8931 119.6867 60.0215 36.4916 174.2121 18 E 4.9046 8.6681 119.9367 53.7780 33.1592 176.0746 19 P 4.2186 0.0000 0.0000 65.1964 31.3772 177.9506 20 S 4.4234 7.8344 112.0291 59.1720 63.9214 174.2445 21 D 4.4491 8.0468 123.4505 54.4425 41.3215 176.0963 22 T 4.5527 8.2646 113.9233 61.3555 71.1583 175.7342 23 I 3.6663 8.5795 124.4499 64.6025 37.2319 178.0180 24 E 3.8785 8.0387 119.7494 59.8814 29.4011 178.8277 25 N 4.3550 8.3924 116.6936 56.4394 38.9635 177.0970 26 V 3.5836 7.7839 119.9839 65.8421 31.6287 178.1951 27 K 4.4202 8.5229 119.4736 58.9268 31.9559 179.2251 28 A 4.0346 7.9169 120.6318 55.0724 17.7311 179.8824 29 K 3.9861 8.1721 117.1129 59.5671 32.0661 179.7104 30 I 3.7820 7.8098 120.3410 64.0879 36.8944 178.1910 31 Q 4.1403 8.0276 121.8432 58.9188 28.7266 178.1581 32 D 4.3571 7.7830 118.2322 57.0227 40.8510 178.2743 33 K 4.1787 7.5940 118.2406 58.3005 32.5459 177.6692 34 E 4.6109 8.8921 116.0297 55.4939 31.3908 177.1249 35 G 3.9604 8.4454 107.5971 45.0061 0.0000 173.7876 36 I 3.8759 7.4942 121.4865 60.1874 37.7076 173.7209 37 P 4.4390 0.0000 0.0000 61.9105 32.0878 175.6700 38 P 4.2906 0.0000 0.0000 65.6714 31.4217 178.2576 39 D 4.4845 8.0660 115.9192 55.4614 39.6013 176.7556 40 Q 4.3219 8.1557 118.2485 56.2143 29.6588 174.6947 41 Q 4.6520 7.9396 119.0816 54.8888 30.4749 174.8927 42 R 4.7227 8.9474 124.0257 54.5408 32.5073 174.9776 43 L 5.1123 8.4192 124.3932 53.1742 44.1351 175.5810 44 I 5.0198 8.8114 124.4506 59.5115 40.5711 174.5740 45 F 4.8823 9.0698 128.1825 57.2265 43.0951 174.1112 46 A 3.3995 8.9664 128.4726 53.1800 15.8222 177.9760 47 G 3.9326 8.4901 106.0472 46.7751 0.0000 174.2035 48 K 4.6360 7.7470 119.3762 54.2407 34.5715 175.3138 49 Q 4.5775 8.5198 122.2921 55.7221 29.5645 175.4448 50 L 3.9671 8.6649 124.7770 53.9509 42.8471 176.0709 51 E 4.5206 8.9342 123.6062 54.9346 31.2136 176.9440 52 D 4.4836 9.1863 124.1072 57.7140 41.1275 179.4992 53 G 3.6235 8.0550 106.2209 47.8677 0.0000 173.8366 54 R 4.3269 8.0001 119.5473 55.4773 31.0644 175.4018 55 T 5.0148 8.3289 109.6751 59.7477 71.3291 175.8736 56 L 4.0480 8.6741 121.5440 57.9936 41.8822 180.3640 57 S 4.2266 8.1533 113.5838 61.1759 62.5749 176.1615 58 D 4.3130 7.5840 121.5522 56.5234 40.4792 177.0999 59 Y 4.5887 7.6717 114.0664 56.6109 38.5449 174.7011 60 N 4.1697 7.9110 116.8668 54.5557 37.9340 174.2186 61 I 3.4882 7.5866 118.0130 60.5534 37.2721 175.5272 62 Q 4.6935 8.6244 126.0313 52.9240 31.6415 174.7497 63 K 3.8900 8.4623 117.0789 59.3689 32.2558 176.4374 64 E 3.8387 8.9512 121.4976 56.7490 27.7415 174.7756 65 S 4.5192 7.9095 115.6431 59.1311 64.2241 173.3330 66 T 5.1824 8.7884 118.9609 62.1227 70.5542 173.8794 67 L 5.0592 9.5215 127.0968 53.7795 44.8282 175.0836 68 H 5.4015 9.1067 116.9270 54.0060 32.3543 173.0013 69 L 5.1676 8.8454 123.2919 53.3134 44.2862 175.6648 70 V 4.4564 8.9558 126.4202 61.0431 34.3545 174.0227 71 L 4.9844 8.4914 127.9682 53.5579 42.5926 176.4429 72 R 4.2091 8.4995 121.8542 55.6920 30.6080 176.8534 73 L 4.2287 8.4064 121.1315 55.0290 41.8576 176.5014 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 8.16 4.46 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 2 Q 8.47 5.40 0.00 2.04 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 3 I 8.73 4.55 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.75 0.00 0.00 4 F 8.73 5.43 0.00 2.98 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 5 V 9.22 4.67 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 0.96 0.00 0.00 0.93 0.00 0.00 6 K 9.07 4.97 0.00 1.32 1.60 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.32 7.81 7 T 8.49 4.77 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 8 L 8.59 4.36 0.00 1.67 1.76 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.92 4.31 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 1.22 0.00 0.00 10 G 7.97 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 11 K 7.80 4.64 0.00 1.75 1.72 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 12 T 8.32 4.89 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 1.21 0.00 0.00 13 I 9.01 4.30 1.90 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 1.52 0.90 0.92 0.00 0.00 14 T 8.62 5.03 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 1.47 0.00 0.00 15 L 8.68 4.75 0.00 1.54 1.51 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.58 4.86 0.00 1.90 1.81 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 2.18 2.34 0.00 17 V 8.89 4.76 2.07 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 0.71 0.00 0.00 0.89 0.00 0.00 18 E 8.67 4.90 0.00 1.76 1.76 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 2.18 2.34 0.00 19 P 0.00 4.22 0.00 2.19 2.29 0.00 3.66 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 2.05 1.94 0.00 20 S 7.83 4.42 0.00 3.99 4.01 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 0.00 0.00 0.00 21 D 8.05 4.45 0.00 2.85 2.61 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 22 T 8.26 4.55 4.42 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 1.22 0.00 0.00 23 I 8.58 3.67 2.03 0.00 0.00 0.87 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 1.03 0.89 0.00 0.00 24 E 8.04 3.88 0.00 2.29 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 2.32 2.36 0.00 25 N 8.39 4.36 0.00 2.78 2.86 0.00 0.00 6.97 8.17 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 26 V 7.78 3.58 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 0.94 0.00 0.00 0.92 0.00 0.00 27 K 8.52 4.42 0.00 2.00 1.84 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.44 7.81 28 A 7.92 4.03 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 29 K 8.17 3.99 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.60 7.81 30 I 7.81 3.78 2.16 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 1.40 0.65 0.94 0.00 0.00 31 Q 8.03 4.14 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 32 D 7.78 4.36 0.00 2.72 2.72 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 33 K 7.59 4.18 0.00 1.96 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 E 8.89 4.61 0.00 2.00 1.94 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 2.23 2.42 0.00 35 G 8.45 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 36 I 7.49 3.88 1.87 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 1.42 0.98 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.32 1.97 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.29 0.00 2.17 2.10 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.07 4.48 0.00 2.78 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 40 Q 8.16 4.32 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 7.94 4.65 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 42 R 8.95 4.72 0.00 1.96 1.84 0.00 3.10 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 43 L 8.42 5.11 0.00 1.54 1.53 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.81 5.02 1.91 0.00 0.00 0.87 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 0.62 0.91 0.00 0.00 45 F 9.07 4.88 0.00 3.02 2.78 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 46 A 8.97 3.40 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 47 G 8.49 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 48 K 7.75 4.64 0.00 1.84 1.80 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.67 7.81 49 Q 8.52 4.58 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.66 3.97 0.00 1.31 1.25 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.93 4.52 0.00 2.08 1.92 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 2.32 2.35 0.00 52 D 9.19 4.48 0.00 2.72 2.76 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 53 G 8.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 4.33 0.00 2.12 1.98 0.00 3.26 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 55 T 8.33 5.01 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 1.29 0.00 0.00 56 L 8.67 4.05 0.00 1.86 1.71 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.15 4.23 0.00 4.05 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 0.00 58 D 7.58 4.31 0.00 2.70 2.33 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 59 Y 7.67 4.59 0.00 2.91 3.13 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 0.00 60 N 7.91 4.17 0.00 2.97 3.06 0.00 0.00 7.13 7.71 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 61 I 7.59 3.49 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.22 0.63 0.00 0.00 62 Q 8.62 4.69 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 63 K 8.46 3.89 0.00 1.82 1.83 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.54 7.81 64 E 8.95 3.84 0.00 2.21 2.31 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 2.42 2.72 0.00 65 S 7.91 4.52 0.00 3.67 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.79 5.18 4.40 0.00 0.00 0.00 0.00 0.00 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 67 L 9.52 5.06 0.00 1.59 1.78 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.11 5.40 0.00 3.12 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.85 5.17 0.00 1.58 1.53 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.96 4.46 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.49 4.98 0.00 1.55 1.59 0.93 0.96 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 72 R 8.50 4.21 0.00 1.84 1.93 0.00 3.32 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 73 L 8.41 4.23 0.00 1.65 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00