NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4355 8.3349 115.4129 57.8194 64.6408 173.8660 2 K 4.1053 8.0920 119.5772 57.2702 32.7073 175.3510 3 T 4.3082 8.3867 116.9778 64.8903 71.3740 175.2977 4 N 4.4056 7.9473 120.3415 53.0391 39.8056 173.7384 5 P 4.3151 0.0000 0.0000 65.3792 31.5160 179.0423 6 R 3.8678 8.5127 117.4344 59.2618 30.0971 178.6140 7 L 4.0064 8.1191 119.6005 58.2133 42.0901 178.8250 8 S 4.0665 8.0608 112.9794 61.5600 62.3007 176.4267 9 S 4.1112 8.1233 117.8849 61.3193 62.5153 176.1564 10 L 3.8789 8.3218 123.5007 58.4591 41.7604 179.1543 11 I 3.6897 7.7901 119.2288 64.4356 37.0494 178.3530 12 A 4.0504 7.8547 121.1267 55.0958 18.2711 179.5094 13 D 4.2771 8.3603 117.9728 57.4692 40.9134 178.8079 14 L 3.9071 8.2679 119.9220 57.6164 41.5607 179.9442 15 K 3.9751 7.9236 117.9572 59.6756 32.1949 179.1459 16 S 4.1059 8.1394 113.1119 61.6111 61.9680 176.1767 17 A 4.1098 8.0528 122.7574 54.8302 18.0970 179.3687 18 A 4.2477 7.8250 117.7898 54.6850 18.4916 179.8566 19 R 4.1283 7.8664 116.3430 60.1341 30.5671 178.4891 20 S 4.1662 8.0183 114.2460 60.6689 62.6754 176.0332 21 S 4.3859 7.9505 117.1944 58.6495 63.6996 175.4162 22 G 3.9616 8.5666 108.3158 45.8217 0.0000 174.3239 23 G 3.7863 7.4188 107.6221 45.4001 0.0000 173.5743 24 A 4.5706 8.0398 121.7210 51.8109 21.5183 179.1157 25 V 3.4332 7.4212 109.1690 64.2619 31.5214 178.2826 26 W 4.9560 7.5721 118.3571 60.2273 28.9155 178.7014 27 G 3.6509 8.1870 104.9584 47.6619 0.0000 175.1614 28 D 4.3131 8.0222 120.3636 57.2868 41.3107 178.5848 29 V 3.6706 8.7413 119.0767 65.7424 31.5025 177.8948 30 A 4.0400 8.2241 120.8757 55.1943 18.0013 179.5066 31 E 4.1115 7.9943 116.2131 59.5262 29.8665 179.2576 32 R 4.0415 7.9309 118.3866 59.2791 29.8983 178.5852 33 L 3.7630 7.7994 118.1866 57.5052 41.6580 178.9707 34 E 4.1531 7.9247 117.7583 57.9473 29.5496 177.6825 35 K 4.3054 7.0780 117.2510 54.7260 33.0816 174.7889 36 P 4.1699 0.0000 0.0000 63.1674 31.9700 177.6152 37 R 3.4873 8.8331 121.4570 59.3572 30.1478 179.0722 38 R 3.9779 7.9130 112.9235 58.8128 29.4708 177.5008 39 T 4.2123 7.9240 107.7878 62.8869 69.4800 174.9838 40 H 4.3055 7.7952 119.2591 55.7326 29.5009 174.7893 41 A 4.2736 8.1256 123.6710 52.2093 19.7204 177.0382 42 E 4.8805 8.6627 119.5640 54.8186 32.0897 174.5345 43 V 4.4537 8.8254 124.9420 61.0348 34.3503 174.6481 44 N 5.6857 8.4318 123.6705 51.2347 40.7437 176.0919 45 L 4.1058 8.5174 120.2069 57.9952 41.3400 180.1170 46 G 3.6634 8.1240 104.5943 47.7782 0.0000 175.1615 47 R 4.0981 7.8266 120.8074 59.1926 30.3560 178.4816 48 I 3.7792 7.7565 119.1811 64.5154 36.9335 177.8844 49 E 3.9673 8.2439 119.2107 59.0202 29.4917 178.3860 50 R 3.9334 7.5367 117.6662 57.8897 30.1804 176.2083 51 Y 4.7419 7.6049 112.0814 57.2598 39.5713 174.9639 52 A 4.6750 7.7818 123.2008 51.0327 20.5277 176.7357 53 Q 4.6220 8.0505 115.7314 54.1675 31.6456 174.5425 54 E 3.9262 8.6383 119.6631 58.2237 29.9845 176.9244 55 D 4.4755 8.8886 119.8954 54.6012 38.3975 173.1670 56 E 4.7405 7.7477 120.1687 54.3354 31.8795 175.7062 57 T 4.2413 8.5622 125.2216 63.7198 69.8281 173.9867 58 V 4.3023 8.9083 127.8676 62.5276 33.1312 174.7318 59 V 4.8347 9.2475 128.4845 61.3045 33.6196 174.4034 60 V 4.7983 9.0519 129.9956 59.2683 32.6528 174.7607 61 P 4.6110 0.0000 0.0000 60.6391 30.2685 175.1776 62 G 4.2714 7.0372 117.1050 47.6565 0.0000 175.3469 63 K 4.9841 9.3466 127.1464 54.1567 35.8753 173.6811 64 V 4.7308 8.1843 125.3842 61.3283 33.6434 174.6267 65 L 4.9865 10.0861 127.5442 52.5998 44.7343 176.7569 66 G 3.9139 8.5286 107.3724 47.0227 0.0000 173.7779 67 S 4.4830 8.2698 117.1434 58.8396 64.4876 175.4656 68 G 4.2029 8.9101 110.2854 44.8419 0.0000 172.2668 69 V 4.3714 7.9554 117.0193 60.6110 33.7946 174.3952 70 L 4.8707 8.4796 127.7480 53.4654 44.1754 175.2775 71 Q 4.4807 10.4132 124.9823 57.0444 30.8512 176.8162 72 K 3.8923 8.2605 115.3295 57.3761 32.7218 176.7715 73 D 5.4511 8.5043 122.8168 52.4305 39.9258 175.1259 74 V 4.5219 7.7394 115.6612 59.4091 36.0161 174.3965 75 T 4.9927 8.3264 118.4846 62.1976 70.5673 173.7607 76 V 4.9044 8.8384 126.8277 61.0149 34.3042 174.0533 77 A 5.9400 9.7113 129.0339 49.4758 21.7475 174.9604 78 A 4.9265 8.2331 122.6040 49.4190 22.9638 176.8087 79 V 3.5465 8.4226 118.8044 66.2465 32.1016 175.5671 80 D 4.6014 7.1615 116.7468 53.5684 44.4937 174.2233 81 F 5.5345 8.7814 119.9984 55.3544 43.0395 175.1049 82 S 4.3599 8.9825 117.1558 58.0045 63.8251 175.5564 83 G 3.6634 8.8185 106.9478 48.3535 0.0000 176.1078 84 T 3.9535 7.9026 117.3282 66.0600 68.4935 176.6509 85 A 3.9974 7.9050 122.3075 55.3566 18.4450 179.3748 86 E 3.5982 8.1700 117.4021 59.3434 29.2915 179.3003 87 T 3.8951 7.2546 114.9905 66.4934 68.7927 176.8051 88 K 4.3994 8.1804 121.9370 58.8841 31.9555 179.6404 89 I 3.8421 7.9919 120.3985 64.3971 36.9335 177.9240 90 D 4.7441 7.5053 118.6367 55.8905 40.3512 178.2114 91 Q 4.1795 7.8128 118.0494 57.7268 28.8431 177.5411 92 V 4.5279 7.7078 110.4130 61.1161 34.5646 174.5169 93 G 4.0882 8.4055 111.4550 44.6975 0.0000 173.9530 94 E 5.0833 9.6302 126.4134 54.4222 33.1558 173.2550 95 A 4.6070 9.3788 129.7056 50.7820 20.0277 176.5826 96 V 4.6262 9.1716 122.7038 60.8210 35.5124 175.1783 97 S 4.7739 8.6692 120.8293 57.6565 64.1254 174.9759 98 L 3.8380 8.2768 123.9823 58.3950 41.2262 179.4588 99 E 3.8500 8.0552 118.1000 59.0236 29.3096 178.9227 100 Q 3.8935 7.8094 117.6658 58.3142 28.9908 177.9525 101 A 4.0128 8.0584 121.9781 55.5513 18.2481 179.7420 102 I 3.0422 7.0994 116.4856 63.9987 37.0219 177.9621 103 E 4.1218 7.1926 119.0882 59.0381 29.8278 177.8829 104 N 4.6616 8.2616 114.0957 54.4682 40.2977 175.5057 105 N 5.0935 7.9900 118.1855 52.3090 40.5545 172.9924 106 P 4.7096 0.0000 0.0000 64.8558 31.9940 177.9652 107 E 4.1676 8.5816 117.9839 56.2113 30.4904 175.6461 108 G 3.7056 8.0214 107.7178 46.3368 0.0000 172.7491 109 S 4.5867 8.1490 111.0972 57.5184 66.6004 174.2958 110 H 3.9994 8.3704 116.3082 57.4301 25.9398 174.4624 111 V 4.9500 7.3004 116.0195 59.8290 35.0733 176.4194 112 R 4.5343 8.9227 122.7105 54.5365 32.9258 174.2459 113 V 4.4367 8.4525 126.7899 62.6058 32.4797 175.0485 114 I 4.7757 8.7999 128.2666 59.3801 40.8654 175.9864 115 R 4.1806 8.4286 121.9475 56.4008 29.5220 174.8376 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 S 8.33 4.44 0.00 3.99 4.03 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 0.00 0.00 0.00 0.00 2 K 8.09 4.11 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.39 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 1.21 0.00 0.00 4 N 7.95 4.41 0.00 2.75 2.71 0.00 0.00 7.23 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 5 P 0.00 4.32 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.51 3.87 0.00 1.92 1.96 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 7 L 8.12 4.01 0.00 1.75 1.81 0.93 0.86 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 8 S 8.06 4.07 0.00 4.10 4.03 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 0.00 0.00 0.00 0.00 9 S 8.12 4.11 0.00 4.02 3.87 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 0.00 0.00 0.00 10 L 8.32 3.88 0.00 1.66 1.82 0.87 1.01 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 11 I 7.79 3.69 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 1.45 1.05 0.92 0.00 0.00 12 A 7.85 4.05 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 13 D 8.36 4.28 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 3.91 0.00 1.84 1.96 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.92 3.98 0.00 1.99 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.65 7.81 16 S 8.14 4.11 0.00 4.00 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 17 A 8.05 4.11 1.40 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 0.00 0.00 0.00 18 A 7.82 4.25 1.48 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 0.00 0.00 19 R 7.87 4.13 0.00 1.84 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 20 S 8.02 4.17 0.00 3.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.39 0.00 4.24 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 22 G 8.57 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 23 G 7.42 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 0.00 0.00 0.00 24 A 8.04 4.57 1.18 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 0.00 0.00 25 V 7.42 3.43 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 -0.45 0.00 0.00 26 W 7.57 4.96 0.00 3.32 3.26 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 27 G 8.19 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.31 0.00 3.04 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.74 3.67 2.41 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 1.02 0.00 0.00 1.15 0.00 0.00 30 A 8.22 4.04 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 31 E 7.99 4.11 0.00 2.12 2.03 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 0.00 2.35 2.44 0.00 32 R 7.93 4.04 0.00 1.93 2.03 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 L 7.80 3.76 0.00 1.79 1.69 0.89 0.59 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 34 E 7.92 4.15 0.00 2.15 2.03 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 0.00 2.36 2.51 0.00 35 K 7.08 4.31 0.00 2.02 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.60 7.81 36 P 0.00 4.17 0.00 2.16 2.00 0.00 3.64 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 2.14 0.00 37 R 8.83 3.49 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 38 R 7.91 3.98 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.92 4.21 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 1.22 0.00 0.00 40 H 7.80 4.31 0.00 3.27 3.26 0.00 5.67 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 41 A 8.13 4.27 1.22 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 0.00 0.00 42 E 8.66 4.88 0.00 1.80 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 2.29 0.00 43 V 8.83 4.45 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 1.02 0.00 0.00 0.94 0.00 0.00 44 N 8.43 5.69 0.00 2.70 2.96 0.00 0.00 7.62 6.74 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 45 L 8.52 4.11 0.00 1.86 1.74 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.83 4.10 0.00 1.91 2.00 0.00 3.21 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 48 I 7.76 3.78 2.03 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 1.59 0.95 0.97 0.00 0.00 49 E 8.24 3.97 0.00 1.96 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 0.00 2.41 2.31 0.00 50 R 7.54 3.93 0.00 1.71 1.40 0.00 2.37 0.00 0.00 2.90 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.30 0.00 51 Y 7.60 4.74 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.78 4.67 1.34 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 0.00 0.00 0.00 53 Q 8.05 4.62 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 54 E 8.64 3.93 0.00 1.99 1.95 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 2.58 2.35 0.00 55 D 8.89 4.48 0.00 2.84 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 56 E 7.75 4.74 0.00 1.93 2.03 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 0.00 2.23 2.37 0.00 57 T 8.56 4.24 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 58 V 8.91 4.30 2.16 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 0.81 0.00 0.00 0.99 0.00 0.00 59 V 9.25 4.83 2.12 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 1.07 0.00 0.00 1.12 0.00 0.00 60 V 9.05 4.80 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 1.05 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.61 0.00 2.13 2.23 0.00 3.95 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 2.05 1.96 0.00 62 G 7.04 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 0.00 0.00 0.00 0.00 63 K 9.35 4.98 0.00 1.70 1.57 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.33 7.81 64 V 8.18 4.73 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 1.10 0.00 0.00 0.82 0.00 0.00 65 L 10.09 4.99 0.00 1.85 1.55 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.53 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 67 S 8.27 4.48 0.00 3.96 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 68 G 8.91 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.96 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.48 4.87 0.00 1.59 1.51 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.41 4.48 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.26 3.89 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.80 7.81 73 D 8.50 5.45 0.00 2.85 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 4.52 2.12 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 0.89 0.00 0.00 0.97 0.00 0.00 75 T 8.33 4.99 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 1.27 0.00 0.00 76 V 8.84 4.90 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 1.06 0.00 0.00 1.03 0.00 0.00 77 A 9.71 5.94 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 78 A 8.23 4.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.42 3.55 2.14 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.16 4.60 0.00 2.76 2.37 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 81 F 8.78 5.53 0.00 2.82 2.92 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 0.00 0.00 0.00 82 S 8.98 4.36 0.00 3.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.82 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.90 3.95 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 1.22 0.00 0.00 85 A 7.90 4.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.17 3.60 0.00 1.91 1.90 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 2.16 2.01 0.00 87 T 7.25 3.90 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 1.20 0.00 0.00 88 K 8.18 4.40 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 89 I 7.99 3.84 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.88 0.00 0.00 90 D 7.51 4.74 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.81 4.18 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 92 V 7.71 4.53 2.23 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 0.78 0.00 0.00 1.01 0.00 0.00 93 G 8.41 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.63 5.08 0.00 2.01 1.74 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 2.16 2.23 0.00 95 A 9.38 4.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.17 4.63 2.27 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 1.04 0.00 0.00 0.95 0.00 0.00 97 S 8.67 4.77 0.00 4.10 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 98 L 8.28 3.84 0.00 1.82 1.59 0.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.06 3.85 0.00 2.05 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 2.35 2.38 0.00 100 Q 7.81 3.89 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 101 A 8.06 4.01 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 0.00 102 I 7.10 3.04 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.09 0.63 0.00 0.00 103 E 7.19 4.12 0.00 1.73 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 0.00 2.30 2.32 0.00 104 N 8.26 4.66 0.00 2.77 2.89 0.00 0.00 6.82 8.81 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 0.00 105 N 7.99 5.09 0.00 2.91 3.00 0.00 0.00 6.80 7.72 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 0.00 106 P 0.00 4.71 0.00 2.31 2.33 0.00 3.89 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 107 E 8.58 4.17 0.00 2.14 2.03 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 0.00 2.40 2.39 0.00 108 G 8.02 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.15 4.59 0.00 4.00 3.80 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 0.00 110 H 8.37 4.00 0.00 3.34 3.36 0.00 5.56 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 0.00 111 V 7.30 4.95 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 0.47 0.00 0.00 0.86 0.00 0.00 112 R 8.92 4.53 0.00 2.16 1.79 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.45 4.44 2.04 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 0.86 0.00 0.00 0.88 0.00 0.00 114 I 8.80 4.78 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 0.99 0.00 0.00 115 R 8.43 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00