NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9888 8.3393 109.7336 45.8301 0.0000 170.1048 2 R 4.3026 9.6039 118.3376 52.6967 26.8199 172.0535 3 Q 3.5006 9.7721 124.9841 54.6138 29.6641 173.9010 4 F 4.2093 8.5178 120.9950 58.9130 39.5775 175.1874 5 G 4.1099 9.4804 112.1310 45.8933 0.0000 174.0005 6 H 5.0030 7.6678 113.7679 55.4619 29.7146 174.7901 7 L 4.0607 7.6231 120.0519 56.5284 41.9698 177.9375 8 T 4.4351 7.1946 111.8299 61.5215 70.3826 172.1349 9 R 4.5570 8.3389 122.4162 54.4895 31.3004 175.5078 10 V 4.5147 8.0688 123.6722 61.3490 34.5085 174.0552 11 R 4.5020 7.8206 123.5853 55.9243 33.8793 175.4003 12 H 4.1139 8.7563 115.2030 56.2737 26.0967 174.6717 13 V 4.2569 7.1565 120.1767 61.1404 32.4308 175.2078 14 I 4.1612 8.0893 127.8849 60.2370 38.5448 175.7217 15 T 4.3577 7.7127 118.9270 61.9562 70.6753 173.2038 16 Y 4.4240 8.4025 124.6924 57.2840 38.9222 175.4151 17 S 4.8391 8.4087 118.8778 56.7457 67.2546 172.9364 18 L 4.7728 8.0710 122.1143 52.8550 45.0299 176.0676 19 S 4.2742 8.6378 119.9236 57.7017 63.2265 173.3749 20 P 4.1421 0.0000 0.0000 65.6058 31.1898 177.5569 21 F 4.4178 8.0012 115.7416 57.9557 38.8075 175.5604 22 E 4.6091 8.3684 120.1395 55.8005 31.1687 175.3554 23 Q 4.7029 7.4404 114.4127 53.7624 31.5478 174.7680 24 R 4.3623 8.1206 114.1456 54.7736 30.8589 176.7642 25 A 3.8342 8.3191 122.7562 54.3443 18.8781 177.9656 26 F 4.8377 7.4939 113.4291 54.8976 39.2948 171.4486 27 P 4.2393 0.0000 0.0000 63.7444 32.9294 177.4723 28 H 4.2028 8.8006 120.7791 55.4272 26.5980 175.2425 29 Y 3.9775 7.8945 121.7938 60.6205 39.1987 176.4391 30 F 4.4344 7.8405 117.2011 59.5487 39.9023 177.6295 31 S 4.1275 8.2433 114.0446 61.9746 62.5710 176.5797 32 K 4.3915 8.2754 119.6597 58.4755 32.4651 178.5176 33 G 4.0148 8.0749 106.9244 47.2206 0.0000 174.8522 34 I 3.6452 7.9913 119.6472 62.9836 38.2579 176.2783 35 P 4.2366 0.0000 0.0000 65.9024 31.0777 177.9433 36 N 4.3113 7.9033 114.7769 56.4990 38.4348 177.8319 37 V 3.6056 7.6139 119.7992 64.6458 31.3953 178.2592 38 L 3.9305 8.0071 119.5957 57.6545 41.4593 179.2503 39 R 3.8951 7.9913 118.4196 59.7896 29.7225 178.7498 40 R 3.9271 8.2442 117.7669 59.3318 29.9958 179.1227 41 T 3.8921 8.1694 115.8447 66.6470 68.2904 176.4065 42 R 3.8527 8.2630 119.1297 59.6494 30.1715 178.0845 43 A 4.1668 8.1537 119.3145 54.2786 18.5634 178.1397 44 C 4.7606 7.6542 110.4742 57.5840 30.7437 176.0159 45 I 3.6919 7.9156 116.9329 64.5080 36.8950 178.1015 46 L 4.0265 7.9730 118.6714 56.4584 41.4614 178.5229 47 R 4.3536 7.7380 116.3636 57.1879 31.1713 178.0562 48 V 3.9143 7.8093 116.9581 65.3014 32.2360 177.4658 49 A 4.3013 8.1631 120.5187 55.0192 18.2921 177.5325 50 P 4.1975 0.0000 0.0000 65.7450 31.4141 176.9905 51 P 4.2371 0.0000 0.0000 65.2624 31.2507 178.7874 52 F 4.5845 7.9855 116.8138 60.8395 38.8806 178.1782 53 V 3.8882 8.0304 111.3915 64.2842 31.4080 178.1689 54 A 4.0718 8.1303 120.6752 55.1492 18.1106 179.5281 55 F 4.1714 8.5049 118.9872 61.6455 39.6030 176.3981 56 Y 3.7160 8.7881 119.5564 60.8741 38.4907 178.3965 57 L 4.1524 8.8082 119.8149 58.0047 41.9164 179.8076 58 V 3.7157 7.8059 117.7992 65.5971 31.4706 177.6121 59 Y 3.8377 7.9037 120.3357 60.7947 38.6748 177.6717 60 T 3.4193 7.6404 110.7610 64.3822 68.8173 176.0301 61 W 4.0645 8.2880 131.4506 60.0921 30.6260 177.8521 62 G 3.8760 8.6045 105.3240 48.4333 0.0000 175.5867 63 T 3.7649 7.4576 117.0796 66.5567 68.4583 176.9478 64 Q 3.8308 7.6755 119.9255 58.9075 28.4691 178.5609 65 E 3.5523 7.5450 119.6370 58.7338 29.6834 178.4478 66 F 4.2574 7.5723 121.0222 61.3076 39.0564 176.8055 67 E 3.5473 8.0886 117.9864 59.3094 29.3925 179.2648 68 K 4.1364 7.7683 115.0707 57.3376 32.3816 177.6686 69 S 4.2642 7.5423 113.0981 59.2531 62.8634 174.2213 70 K 4.4785 6.9821 119.2614 55.4533 31.8012 175.7468 71 R 4.6496 7.2699 115.2124 55.0302 34.5458 174.7704 72 K 4.6841 8.1400 119.0508 54.8714 36.9842 174.2162 73 N 4.4448 9.0165 121.7141 53.3191 38.5290 175.3650 74 P 4.3785 0.0000 0.0000 62.4875 33.3949 176.0839 75 A 4.0209 8.4487 121.0305 53.1902 18.4532 177.5988 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 8.34 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 2 R 9.60 4.30 0.00 2.00 1.39 0.00 3.13 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.67 0.00 3 Q 9.77 3.50 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 4 F 8.52 4.21 0.00 3.07 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 5 G 9.48 4.11 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 0.00 0.00 0.00 6 H 7.67 5.00 0.00 3.06 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.62 4.06 0.00 1.61 1.58 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.19 4.44 4.23 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 1.21 0.00 0.00 9 R 8.34 4.56 0.00 1.79 1.80 0.00 3.25 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 V 8.07 4.51 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 0.87 0.00 0.00 0.94 0.00 0.00 11 R 7.82 4.50 0.00 1.56 1.33 0.00 3.25 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 12 H 8.76 4.11 0.00 3.33 3.43 0.00 5.66 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 13 V 7.16 4.26 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 0.78 0.00 0.00 0.98 0.00 0.00 14 I 8.09 4.16 1.71 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 1.30 0.65 0.14 0.00 0.00 15 T 7.71 4.36 4.15 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 0.00 0.00 0.00 1.20 0.00 0.00 16 Y 8.40 4.42 0.00 2.96 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 17 S 8.41 4.84 0.00 3.80 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 18 L 8.07 4.77 0.00 1.54 1.48 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.64 4.27 0.00 3.95 3.79 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 20 P 0.00 4.14 0.00 1.93 2.18 0.00 3.84 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 2.11 1.98 0.00 21 F 8.00 4.42 0.00 2.99 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 22 E 8.37 4.61 0.00 2.13 1.98 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 2.31 2.39 0.00 23 Q 7.44 4.70 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 24 R 8.12 4.36 0.00 1.94 1.95 0.00 3.00 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 25 A 8.32 3.83 0.75 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 0.00 0.00 26 F 7.49 4.84 0.00 2.85 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 27 P 0.00 4.24 0.00 2.14 2.01 0.00 3.67 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 1.98 2.07 0.00 28 H 8.80 4.20 0.00 3.37 3.35 0.00 5.92 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.89 3.98 0.00 2.83 2.35 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 30 F 7.84 4.43 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.24 4.13 0.00 3.91 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 32 K 8.28 4.39 0.00 1.84 1.83 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.40 7.81 33 G 8.07 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 0.00 0.00 0.00 34 I 7.99 3.65 1.90 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 1.53 1.33 1.06 0.00 0.00 35 P 0.00 4.24 0.00 2.29 2.11 0.00 3.60 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 2.26 2.21 0.00 36 N 7.90 4.31 0.00 2.97 2.85 0.00 0.00 6.85 9.03 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 37 V 7.61 3.61 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 0.93 0.00 0.00 0.93 0.00 0.00 38 L 8.01 3.93 0.00 1.90 1.76 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.99 3.90 0.00 2.06 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 40 R 8.24 3.93 0.00 2.03 1.96 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 41 T 8.17 3.89 4.37 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 1.22 0.00 0.00 42 R 8.26 3.85 0.00 1.85 2.17 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 43 A 8.15 4.17 1.39 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 0.00 0.00 44 C 7.65 4.76 0.00 3.12 3.14 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 0.00 0.00 0.00 0.00 45 I 7.92 3.69 1.89 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 1.87 0.55 0.97 0.00 0.00 46 L 7.97 4.03 0.00 1.64 1.78 0.92 0.87 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 47 R 7.74 4.35 0.00 1.77 1.96 0.00 3.20 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 48 V 7.81 3.91 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 1.05 0.00 0.00 1.05 0.00 0.00 49 A 8.16 4.30 1.44 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 0.00 0.00 0.00 50 P 0.00 4.20 0.00 2.14 2.15 0.00 3.62 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 2.33 2.22 0.00 51 P 0.00 4.24 0.00 1.54 1.85 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.02 0.00 52 F 7.99 4.58 0.00 3.31 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 53 V 8.03 3.89 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 0.88 0.00 0.00 0.98 0.00 0.00 54 A 8.13 4.07 1.46 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 55 F 8.50 4.17 0.00 3.17 3.38 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 0.00 56 Y 8.79 3.72 0.00 3.12 3.18 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 57 L 8.81 4.15 0.00 1.75 1.79 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.81 3.72 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 1.05 0.00 0.00 0.97 0.00 0.00 59 Y 7.90 3.84 0.00 2.22 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.64 3.42 4.13 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 0.91 0.00 0.00 61 W 8.29 4.06 0.00 3.43 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 62 G 8.60 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 63 T 7.46 3.76 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 1.05 0.00 0.00 64 Q 7.68 3.83 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 65 E 7.54 3.55 0.00 1.16 1.12 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 1.82 2.07 0.00 66 F 7.57 4.26 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 67 E 8.09 3.55 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 68 K 7.77 4.14 0.00 1.71 1.74 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.34 7.81 69 S 7.54 4.26 0.00 3.86 3.90 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 70 K 6.98 4.48 0.00 1.52 1.60 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 0.92 7.81 71 R 7.27 4.65 0.00 1.68 1.71 0.00 3.07 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 72 K 8.14 4.68 0.00 1.59 1.58 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.60 7.81 73 N 9.02 4.44 0.00 2.67 2.37 0.00 0.00 7.07 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 74 P 0.00 4.38 0.00 2.07 2.00 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 75 A 8.45 4.02 1.31 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 0.00 0.00 0.00 0.00 0.00