NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2158 0.0000 0.0000 61.4368 33.9137 175.9684 17 S 4.1017 9.5038 111.4626 55.3507 59.0916 166.1843 18 R 4.5591 7.7105 115.7110 55.7865 33.4261 175.2747 19 K 4.6172 8.0535 119.0934 57.5978 32.9083 175.4076 20 A 3.6547 7.5217 126.4103 50.7207 19.7693 177.7151 21 K 4.8189 8.4279 123.4653 53.9478 33.3176 177.7622 22 V 3.6654 8.1658 124.9799 65.8452 31.5273 177.6445 23 K 3.9831 7.4726 117.8414 59.4125 31.9496 178.1813 24 A 4.1421 8.0319 120.4316 54.8770 18.6289 178.9294 25 T 4.1547 7.5476 113.5688 65.5038 68.8020 174.4222 26 L 4.3801 7.3934 123.6897 54.1588 42.8531 177.0720 27 G 4.1013 8.5346 123.8843 45.7306 0.0000 173.3007 28 E 4.4335 8.8232 126.0234 54.5253 30.4677 174.8817 29 F 4.9783 7.7101 117.7751 54.7735 41.2560 174.7762 30 D 4.6091 8.7903 120.5422 53.7309 39.2198 175.3233 31 L 4.5332 7.9878 124.8078 56.5742 41.3499 178.7601 32 R 4.2391 7.6485 118.0370 57.0760 29.8660 174.8343 33 D 5.0813 7.6715 115.9221 53.2176 43.8329 174.7445 34 Y 4.6332 7.7641 118.7042 58.8028 39.7796 177.7944 35 R 3.4979 6.2451 117.9893 59.0014 30.8168 177.8056 36 N 4.5380 8.2065 116.4361 52.8831 34.3691 176.0416 37 V 3.4789 7.9447 122.7976 65.5533 32.1759 176.8450 38 E 3.9305 7.9825 116.5134 58.1904 29.1499 178.5536 39 V 3.6069 7.1433 118.0577 64.9278 31.5043 177.7034 40 L 3.7301 7.9391 119.4038 57.5706 41.5870 179.6319 41 K 3.8875 10.2373 118.2724 59.4052 32.0558 178.6088 42 R 3.8961 6.6831 118.0364 59.0393 29.8790 177.2818 43 F 4.8398 7.3975 115.6759 58.0063 39.1160 175.3947 44 L 4.9189 7.6263 118.9376 55.0507 40.8214 176.3809 45 S 4.7706 8.0441 113.5513 56.1741 65.5076 174.0187 46 E 4.0707 8.9094 119.6824 60.0298 29.8298 179.1103 47 T 4.1309 7.7433 116.8161 65.6584 67.0004 175.5659 48 G 4.2621 7.1024 105.2978 45.8496 0.0000 173.1094 49 K 4.1167 9.3110 125.7093 55.9382 31.7216 177.2695 50 I 5.1844 8.6323 111.0308 59.4558 42.2106 174.8098 51 L 4.6162 7.9501 125.6717 53.2715 43.4533 174.1358 52 P 4.1075 0.0000 0.0000 62.0220 30.8970 177.1501 53 R 3.9767 9.1219 123.3408 58.2374 30.3684 177.3567 54 R 4.6473 7.9987 117.4728 55.3818 31.0032 176.3928 55 R 4.6159 7.9527 116.4903 57.1556 35.2732 175.8834 56 T 4.0576 8.2588 111.0637 62.7375 68.6226 171.4883 57 G 3.8469 7.2789 108.7247 45.4027 0.0000 174.7400 58 L 4.1518 7.5269 123.9193 54.9885 42.4291 175.3151 59 S 4.6195 8.0127 114.7344 57.1740 68.6830 173.5226 60 A 3.9678 8.8622 126.2009 54.0597 17.3965 178.7322 61 K 4.0984 9.1506 127.9590 57.3097 32.9098 175.6951 62 E 4.2334 7.9702 117.4341 59.0605 29.9583 177.7028 63 Q 4.2124 8.1641 117.4349 57.9968 28.9152 177.5866 64 R 4.2947 7.8026 117.9278 57.3015 30.7412 176.5433 65 I 4.5210 7.1206 116.6909 60.4037 38.5806 176.5948 66 L 4.1391 7.2363 123.8430 56.2337 42.1676 178.1491 67 A 3.9036 8.2123 126.3035 55.0665 18.6331 178.3054 68 K 3.9712 7.4875 117.5527 58.1331 32.5816 178.2489 69 T 3.9585 8.0491 109.1752 65.5454 68.3594 176.4710 70 I 3.7398 8.0893 122.2617 63.7997 36.8299 178.3127 71 K 3.8388 8.0047 119.0920 59.6149 31.7326 179.0034 72 R 4.0319 8.2174 117.1881 59.8225 30.0091 178.8889 73 A 3.8847 7.5232 120.6486 55.4872 18.7590 179.3616 74 R 3.9673 7.6611 113.9846 59.6502 30.3096 179.3439 75 I 3.7026 7.3446 109.7278 63.5449 37.4545 176.9559 76 L 4.0910 7.7826 119.8413 55.6172 41.7159 177.6630 77 G 4.0998 8.7196 107.4148 44.9937 0.0000 174.0401 78 L 3.7360 7.7128 119.8170 56.3346 40.6738 177.5354 79 L 3.9907 8.5211 132.1186 55.0331 42.9775 175.5037 80 P 4.5468 0.0000 0.0000 65.7838 30.5776 178.2883 81 F 3.5139 8.1728 117.4270 59.3388 37.4099 175.8626 82 T 4.0821 7.5915 126.7773 61.9933 66.2112 173.0524 83 E 5.0114 8.7505 126.1541 55.7395 31.4917 175.2412 84 K 4.2873 7.6981 123.3608 54.3532 40.3500 174.2891 85 L 5.1662 5.6200 126.5802 55.0419 46.6696 172.8927 86 V 4.1829 8.1453 125.8261 62.5712 32.5480 173.8804 87 R 4.0681 7.9856 129.4408 52.8319 28.5487 176.1905 88 K 4.1893 7.7220 123.9468 56.9275 32.8597 176.3280 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 16 P 0.00 4.22 0.00 2.19 2.25 0.00 3.72 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 1.88 1.96 0.00 17 S 9.50 4.10 0.00 4.02 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 0.00 18 R 7.71 4.56 0.00 2.01 1.85 0.00 3.04 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 19 K 8.05 4.62 0.00 1.72 1.64 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.46 7.81 20 A 7.52 3.65 1.24 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 0.00 0.00 0.00 21 K 8.43 4.82 0.00 1.85 1.78 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.38 7.81 22 V 8.17 3.67 2.15 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 1.26 0.00 0.00 1.00 0.00 0.00 23 K 7.47 3.98 0.00 1.83 1.83 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 24 A 8.03 4.14 1.37 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 0.00 0.00 25 T 7.55 4.15 4.29 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 1.24 0.00 0.00 26 L 7.39 4.38 0.00 1.71 1.81 0.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.53 4.10 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 0.00 0.00 0.00 28 E 8.82 4.43 0.00 1.94 1.86 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 2.20 2.31 0.00 29 F 7.71 4.98 0.00 3.00 3.02 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 0.00 0.00 0.00 30 D 8.79 4.61 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.53 0.00 1.92 1.78 0.66 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.65 4.24 0.00 1.93 2.11 0.00 3.27 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 33 D 7.67 5.08 0.00 2.63 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 4.63 0.00 3.07 3.06 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 35 R 6.25 3.50 0.00 1.63 1.75 0.00 3.01 0.00 0.00 3.03 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.49 0.00 36 N 8.21 4.54 0.00 2.43 2.33 0.00 0.00 6.78 7.04 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 37 V 7.94 3.48 2.06 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 1.01 0.00 0.00 1.05 0.00 0.00 38 E 7.98 3.93 0.00 1.84 1.91 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 2.25 2.36 0.00 39 V 7.14 3.61 1.60 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 -0.50 0.00 0.00 0.60 0.00 0.00 40 L 7.94 3.73 0.00 1.59 1.68 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 41 K 10.24 3.89 0.00 1.88 2.22 0.00 1.24 0.00 0.00 1.41 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.53 7.81 42 R 6.68 3.90 0.00 1.75 1.74 0.00 3.30 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 43 F 7.40 4.84 0.00 3.20 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 44 L 7.63 4.92 0.00 1.71 1.83 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.04 4.77 0.00 3.99 4.07 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 46 E 8.91 4.07 0.00 1.97 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 0.00 2.33 2.43 0.00 47 T 7.74 4.13 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 G 7.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.31 4.12 0.00 1.85 1.45 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.37 7.81 50 I 8.63 5.18 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.06 0.92 0.00 0.00 51 L 7.95 4.62 0.00 1.74 1.59 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.11 0.00 2.12 1.96 0.00 3.69 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 2.12 2.18 0.00 53 R 9.12 3.98 0.00 1.82 1.97 0.00 3.20 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 54 R 8.00 4.65 0.00 1.72 1.89 0.00 3.19 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 55 R 7.95 4.62 0.00 1.83 1.96 0.00 3.29 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 56 T 8.26 4.06 4.27 0.00 0.00 0.00 0.00 0.00 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 57 G 7.28 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.53 4.15 0.00 1.57 1.60 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.01 4.62 0.00 3.72 3.76 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 60 A 8.86 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.15 4.10 0.00 1.87 1.79 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.58 7.81 62 E 7.97 4.23 0.00 1.92 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 2.26 2.32 0.00 63 Q 8.16 4.21 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.83 2.28 0.00 64 R 7.80 4.29 0.00 1.89 2.01 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 65 I 7.12 4.52 1.88 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 1.42 1.29 0.93 0.00 0.00 66 L 7.24 4.14 0.00 1.85 1.68 0.88 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.21 3.90 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 68 K 7.49 3.97 0.00 1.85 1.72 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.51 7.81 69 T 8.05 3.96 4.31 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 1.32 0.00 0.00 70 I 8.09 3.74 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.92 0.88 0.00 0.00 71 K 8.00 3.84 0.00 1.95 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.68 7.81 72 R 8.22 4.03 0.00 1.97 1.96 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 73 A 7.52 3.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.97 0.00 1.89 1.81 0.00 2.30 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 75 I 7.34 3.70 1.90 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 1.57 0.52 0.95 0.00 0.00 76 L 7.78 4.09 0.00 1.73 1.73 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.72 4.10 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 0.00 0.00 0.00 78 L 7.71 3.74 0.00 1.64 1.47 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.52 3.99 0.00 1.54 1.46 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.55 0.00 2.29 2.14 0.00 3.90 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.01 0.00 81 F 8.17 3.51 0.00 3.07 3.42 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 0.00 82 T 7.59 4.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 83 E 8.75 5.01 0.00 1.98 1.66 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 0.00 2.06 2.04 0.00 84 K 7.70 4.29 0.00 1.71 1.52 0.00 1.98 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.38 7.81 85 L 5.62 5.17 0.00 1.64 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.15 4.18 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 0.99 0.00 0.00 87 R 7.99 4.07 0.00 2.00 2.11 0.00 3.32 0.00 0.00 3.15 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 88 K 7.72 4.19 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.48 7.81