NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2930 8.1727 120.1394 56.8149 34.8612 173.8342 2 V 4.6628 8.1253 121.2531 60.7939 32.8450 174.5513 3 F 4.5204 10.0635 128.9377 57.2180 40.1983 175.2425 4 E 4.2178 9.0559 121.3827 56.2684 30.5214 178.2212 5 R 3.2532 8.7481 122.2438 59.9703 30.2419 179.8293 6 C 4.3616 8.0734 115.5476 59.4224 34.9095 175.5720 7 E 3.8941 8.0784 120.8447 59.2707 29.2791 178.4486 8 L 3.7332 8.2564 120.4377 57.8906 42.0361 178.6254 9 A 3.9532 7.9417 120.7185 55.3931 18.2826 179.8839 10 R 3.9081 8.1941 116.5689 59.6328 30.0511 179.5310 11 T 3.8955 7.8675 115.3305 66.6435 68.3953 176.9171 12 L 3.8843 8.1939 121.2990 57.3043 41.5480 179.5723 13 K 3.9000 8.0574 119.8362 59.5059 31.9923 178.7873 14 R 3.9179 7.8677 117.7225 59.3702 30.0506 177.6012 15 L 4.3409 7.7986 115.5549 54.5902 41.6093 177.3821 16 G 3.8754 7.8800 106.9847 46.4567 0.0000 175.1115 17 M 3.8115 8.1714 122.0358 56.9493 32.1552 175.7546 18 D 4.4803 8.0083 117.8905 55.8110 40.7176 175.3382 19 G 3.8916 9.2532 115.8536 45.9253 0.0000 171.4450 20 Y 4.2004 8.3814 121.8713 57.8952 38.8968 175.8210 21 R 3.6914 9.2424 126.9831 57.2698 27.8149 177.2501 22 G 3.8131 8.3448 102.8695 45.6261 0.0000 173.9226 23 I 4.0455 7.6261 122.0327 59.2386 37.6712 175.9354 24 S 4.6003 8.3223 120.4300 57.7418 63.8895 174.9894 25 L 4.2395 8.9810 123.2870 58.5301 41.6894 179.3249 26 A 4.1812 8.1649 120.1661 55.2020 18.2982 179.2183 27 N 4.4250 8.1200 114.8274 56.2289 38.6290 177.7147 28 W 4.2402 7.9453 119.9487 59.8989 29.1553 178.4106 29 M 4.2162 8.3450 118.8781 58.4987 31.4794 177.8922 30 C 3.2015 8.1635 118.7312 59.0750 44.2954 175.2607 31 L 3.9967 8.1285 121.6510 58.3911 41.7181 178.9174 32 A 4.2427 8.2017 121.9105 54.2853 18.2450 179.5392 33 K 2.9527 8.0984 118.1949 59.3639 32.0811 179.0966 34 W 4.3196 7.9127 117.2009 58.9995 29.0890 178.4642 35 E 4.3235 8.3923 118.8014 58.7305 29.5161 177.8101 36 S 4.5278 7.9737 109.3439 56.4657 64.7142 174.1544 37 G 3.3984 8.2470 108.9080 47.0227 0.0000 173.0789 38 Y 3.6257 7.5763 112.3857 58.9152 35.4681 169.2196 39 N 5.4285 7.6104 116.9471 51.8136 40.9181 175.2659 40 T 3.9870 9.0392 116.8662 64.2136 69.1679 175.9323 41 R 4.3620 8.1906 119.2207 55.8507 30.5273 176.2700 42 A 4.2858 7.6821 121.9104 52.5850 19.5924 177.2883 43 T 4.9695 8.2846 117.0818 62.0732 72.8420 172.8430 44 N 4.9626 9.0449 124.5929 51.9486 42.2887 172.3517 45 Y 4.7520 8.6814 127.1796 56.7560 41.2582 173.8708 46 N 4.5333 7.9245 123.5159 50.9009 39.7580 174.7195 47 A 3.9168 8.6083 127.7509 55.1706 18.2529 178.7848 48 G 3.6595 7.7132 103.6874 48.1024 0.0000 173.5944 49 D 4.5853 7.7330 118.5127 51.4300 40.4707 176.2572 50 R 4.0825 7.8935 117.3840 57.1665 28.0576 175.3618 51 S 4.9750 7.5262 110.3194 56.8654 67.0901 173.4141 52 T 5.0860 9.0763 116.3759 61.9029 72.5165 172.7421 53 D 5.4827 8.9283 124.5711 52.9803 43.6192 175.0304 54 Y 5.0122 9.0944 120.3715 57.5384 41.7133 177.0265 55 G 4.5560 9.2057 111.8413 46.3645 0.0000 173.5129 56 I 4.0000 8.0666 116.3429 62.9717 38.0112 177.6505 57 F 4.8145 8.0397 115.9113 56.4060 39.6675 175.5574 58 Q 3.5776 8.0003 118.9321 57.1070 26.5183 173.5167 59 I 4.5032 8.1711 119.2033 60.6816 39.4296 176.5837 60 N 5.4882 9.1551 125.8217 53.4358 39.7965 175.7558 61 S 4.8027 9.2010 120.5012 60.4422 63.3787 175.5509 62 R 3.8232 8.9053 122.5794 59.1660 30.2410 177.8161 63 Y 4.0494 7.5382 114.9610 58.1381 39.3799 176.6042 64 W 4.7572 8.3207 118.0487 57.7449 31.7491 173.5578 65 C 5.5456 8.3387 112.6132 53.5543 45.9106 171.8840 66 N 5.1005 9.1930 119.3898 52.2592 39.6920 174.7529 67 D 4.7382 9.0205 124.9615 52.5852 40.3586 177.3279 68 G 4.0789 8.5328 109.2661 45.5578 0.0000 174.6623 69 K 4.5026 7.8661 116.8586 56.6336 32.8210 175.5517 70 T 4.5261 7.7736 116.4296 61.1655 69.9805 172.8395 71 P 4.2542 0.0000 0.0000 63.5433 31.6562 175.9626 72 G 4.0379 8.8248 104.9133 46.0053 0.0000 173.0558 73 A 4.0402 7.4951 121.7504 52.3920 18.3789 178.6352 74 V 3.6829 8.8975 123.9070 63.3534 32.8020 175.5282 75 N 4.1170 8.0653 117.3550 54.4444 36.9398 174.7670 76 A 4.0576 8.0252 120.2883 54.7225 19.0519 178.2415 77 C 4.6088 8.4648 111.8839 56.8886 41.1297 173.0938 78 H 4.0727 7.8390 116.2912 57.0139 26.5384 174.8510 79 L 4.8177 8.3932 117.8085 52.6188 45.5375 176.9865 80 S 4.6224 8.4499 117.3549 58.1501 63.1911 175.7754 81 C 4.1174 8.7566 124.8746 59.6671 40.7506 176.4911 82 S 3.8571 7.9753 115.5245 61.4412 62.1142 176.1759 83 A 4.1132 7.9571 122.8544 53.9776 18.2063 178.4379 84 L 4.4469 8.0677 116.8428 55.0170 41.7337 177.5335 85 L 4.9844 7.5523 118.3198 54.5835 41.9297 176.5109 86 Q 4.4812 7.7328 117.6994 54.9429 29.8639 175.8878 87 D 4.4646 8.5068 119.5015 56.8799 41.1869 176.6974 88 N 4.6535 8.0770 118.1207 53.0641 39.6579 174.7535 89 I 4.3603 8.3602 118.0696 60.9594 38.1030 177.1199 90 A 3.9477 8.5116 125.4630 55.9976 18.1483 180.2204 91 D 4.3433 8.0961 116.5328 57.1059 40.9033 178.6367 92 A 4.0809 7.9874 121.0764 55.1245 18.3751 179.6643 93 V 3.3242 8.0286 116.5590 66.0090 31.6249 178.0187 94 A 3.8302 7.8626 120.5138 55.3182 18.1449 178.8311 95 C 4.2130 8.2539 116.7054 59.7983 38.5371 175.6300 96 A 3.9377 8.2219 122.6696 55.0867 17.5884 179.7949 97 K 3.8210 7.7785 116.5879 59.4400 32.3737 179.2587 98 R 4.0723 7.9344 119.1594 59.1620 30.1068 178.5379 99 V 2.5351 7.5771 118.2217 65.8082 31.1930 177.8505 100 V 4.0154 7.3343 108.1225 62.2776 31.7307 177.6936 101 R 4.2387 7.6538 117.1798 56.6379 30.6834 176.3661 102 D 4.7451 7.4248 119.2188 52.7861 41.9370 175.4263 103 P 4.2641 0.0000 0.0000 66.0703 31.7151 178.1902 104 Q 4.0455 8.2594 116.5740 56.8634 30.0340 177.4675 105 G 3.6673 8.0125 107.1477 46.4888 0.0000 175.8605 106 I 3.9545 7.8529 120.6766 62.9482 38.1020 177.7919 107 R 4.3242 7.5180 117.6169 58.3354 29.9861 177.5199 108 A 3.9614 7.7209 120.7047 54.1939 18.6531 177.5847 109 W 4.7279 8.4132 117.0113 55.4349 29.8063 177.4028 110 V 3.6998 8.7814 123.7517 66.1046 30.9636 177.6849 111 A 3.9829 8.2525 119.8926 54.5142 18.1109 179.3678 112 W 3.8324 8.4248 127.3543 60.7104 30.6146 178.4974 113 R 3.6675 8.1085 116.2438 59.1214 29.6861 178.1237 114 N 4.4671 8.1562 114.7085 54.3790 38.8945 175.7617 115 E 4.1264 7.7411 116.9609 55.5863 32.1189 175.8997 116 C 4.5352 7.7212 115.7830 57.6209 42.3684 174.3510 117 Q 3.5144 6.5675 119.6654 57.2177 28.7172 175.2567 118 N 4.1875 8.6454 121.1190 54.3710 36.3173 173.9396 119 R 4.5499 7.4937 114.7970 54.1592 33.1663 175.5227 120 D 4.6222 8.4760 119.4456 53.8318 40.9156 177.0848 121 V 4.5328 8.3334 119.9566 62.2642 32.0449 178.1558 122 R 4.0709 8.1955 118.7053 59.2069 29.9863 178.4853 123 Q 4.1089 8.2232 117.5874 59.4008 28.3742 178.4491 124 Y 4.3705 8.0128 116.1914 59.6787 38.1044 176.7829 125 V 4.4105 7.8615 111.8965 60.5536 32.7698 175.2016 126 Q 4.1071 7.5925 119.0521 57.4269 28.6293 176.8626 127 G 3.9649 9.0055 110.7969 45.5855 0.0000 174.4281 128 C 4.3822 7.9059 116.1943 57.0229 40.6927 173.6231 129 G 3.8234 8.1005 107.1558 46.7101 0.0000 173.8427 130 V 3.9896 7.7084 123.4254 62.7086 31.9079 174.5788 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 K 8.17 4.29 0.00 1.71 1.92 0.00 1.13 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.26 7.81 2 V 8.13 4.66 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 0.89 0.00 0.00 0.96 0.00 0.00 3 F 10.06 4.52 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.06 4.22 0.00 1.92 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 2.31 2.39 0.00 5 R 8.75 3.25 0.00 1.91 1.91 0.00 3.27 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 6 C 8.07 4.36 0.00 3.00 3.11 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 7 E 8.08 3.89 0.00 2.05 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 0.00 2.54 2.39 0.00 8 L 8.26 3.73 0.00 1.40 1.37 -0.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.94 3.95 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 10 R 8.19 3.91 0.00 1.97 2.00 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 11 T 7.87 3.90 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 1.26 0.00 0.00 12 L 8.19 3.88 0.00 1.75 1.60 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.06 3.90 0.00 1.82 1.98 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 14 R 7.87 3.92 0.00 2.07 2.02 0.00 3.31 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 1.64 1.68 0.00 15 L 7.80 4.34 0.00 1.61 1.57 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.88 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 17 M 8.17 3.81 0.00 1.22 1.96 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 18 D 8.01 4.48 0.00 2.67 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 19 G 9.25 3.89 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 0.00 0.00 0.00 20 Y 8.38 4.20 0.00 3.25 3.09 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 21 R 9.24 3.69 0.00 1.82 1.81 0.00 3.23 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 22 G 8.34 3.81 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 0.00 0.00 0.00 23 I 7.63 4.05 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.56 -0.16 0.00 0.00 24 S 8.32 4.60 0.00 4.05 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 25 L 8.98 4.24 0.00 2.09 1.81 0.99 1.15 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 26 A 8.16 4.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 4.43 0.00 2.72 2.67 0.00 0.00 6.91 8.44 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 28 W 7.95 4.24 0.00 3.55 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 29 M 8.34 4.22 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.90 0.00 30 C 8.16 3.20 0.00 2.51 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 31 L 8.13 4.00 0.00 1.90 1.89 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.20 4.24 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 2.95 0.00 1.69 1.60 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.81 1.62 7.81 34 W 7.91 4.32 0.00 3.26 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.32 0.00 2.14 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 0.00 2.66 2.63 0.00 36 S 7.97 4.53 0.00 4.06 4.12 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 0.00 0.00 0.00 37 G 8.25 3.40 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 0.00 38 Y 7.58 3.63 0.00 3.20 2.94 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 0.00 0.00 0.00 39 N 7.61 5.43 0.00 2.85 2.82 0.00 0.00 7.02 7.10 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 40 T 9.04 3.99 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 41 R 8.19 4.36 0.00 1.98 2.04 0.00 3.37 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 42 A 7.68 4.29 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 43 T 8.28 4.97 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 1.08 0.00 0.00 44 N 9.04 4.96 0.00 2.87 2.72 0.00 0.00 6.41 7.17 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 45 Y 8.68 4.75 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.92 4.53 0.00 2.55 2.55 0.00 0.00 6.76 6.96 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 47 A 8.61 3.92 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 48 G 7.71 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 49 D 7.73 4.59 0.00 2.72 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 50 R 7.89 4.08 0.00 2.03 2.19 0.00 3.12 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 51 S 7.53 4.98 0.00 3.82 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 52 T 9.08 5.09 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 0.70 0.00 0.00 53 D 8.93 5.48 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.09 5.01 0.00 3.02 2.86 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 55 G 9.21 4.56 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 0.00 0.00 0.00 56 I 8.07 4.00 1.69 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 2.22 0.16 0.00 0.00 57 F 8.04 4.81 0.00 3.21 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 58 Q 8.00 3.58 0.00 2.49 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 59 I 8.17 4.50 2.13 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 1.09 0.00 0.00 60 N 9.16 5.49 0.00 3.05 3.02 0.00 0.00 6.97 7.70 0.00 0.00 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 S 9.20 4.80 0.00 4.04 4.35 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 62 R 8.91 3.82 0.00 1.53 1.19 0.00 2.40 0.00 0.00 2.82 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 63 Y 7.54 4.05 0.00 1.77 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 0.00 0.00 0.00 64 W 8.32 4.76 0.00 3.48 3.20 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 65 C 8.34 5.55 0.00 3.09 3.25 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 0.00 66 N 9.19 5.10 0.00 2.80 2.72 0.00 0.00 7.20 8.53 0.00 0.00 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 D 9.02 4.74 0.00 2.86 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 68 G 8.53 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.50 0.00 1.83 1.90 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.45 7.81 70 T 7.77 4.53 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 1.15 0.00 0.00 71 P 0.00 4.25 0.00 2.18 2.18 0.00 3.99 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 2.04 1.98 0.00 72 G 8.82 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 0.00 0.00 0.00 73 A 7.50 4.04 1.23 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 0.00 0.00 74 V 8.90 3.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.91 0.00 0.00 75 N 8.07 4.12 0.00 2.89 2.69 0.00 0.00 7.12 8.23 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 76 A 8.03 4.06 1.27 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 77 C 8.46 4.61 0.00 3.31 3.24 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 78 H 7.84 4.07 0.00 3.31 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.39 4.82 0.00 1.69 1.52 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.45 4.62 0.00 3.83 3.69 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 0.00 0.00 0.00 0.00 81 C 8.76 4.12 0.00 2.37 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 82 S 7.98 3.86 0.00 4.02 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 83 A 7.96 4.11 1.38 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 0.00 0.00 84 L 8.07 4.45 0.00 1.87 1.82 1.04 0.68 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 85 L 7.55 4.98 0.00 1.81 1.74 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.73 4.48 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 7.12 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 87 D 8.51 4.46 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.08 4.65 0.00 2.70 2.74 0.00 0.00 6.89 7.94 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 89 I 8.36 4.36 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.55 1.01 0.00 0.00 90 A 8.51 3.95 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 91 D 8.10 4.34 0.00 2.72 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 92 A 7.99 4.08 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 93 V 8.03 3.32 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 0.80 0.00 0.00 0.90 0.00 0.00 94 A 7.86 3.83 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 95 C 8.25 4.21 0.00 3.16 3.30 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 96 A 8.22 3.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.78 3.82 0.00 1.66 1.55 0.00 1.32 0.00 0.00 0.74 0.00 0.00 2.22 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 1.03 7.81 98 R 7.93 4.07 0.00 1.98 2.12 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 99 V 7.58 2.54 1.89 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 -0.23 0.00 0.00 -0.67 0.00 0.00 100 V 7.33 4.02 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 1.16 0.00 0.00 1.39 0.00 0.00 101 R 7.65 4.24 0.00 2.02 2.03 0.00 3.24 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.04 0.00 102 D 7.42 4.75 0.00 3.14 2.65 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 0.00 103 P 0.00 4.26 0.00 2.02 2.12 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 104 Q 8.26 4.05 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 105 G 8.01 3.67 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 0.00 0.00 0.00 106 I 7.85 3.95 1.22 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 0.52 0.85 -0.51 0.00 0.00 107 R 7.52 4.32 0.00 2.05 2.06 0.00 3.51 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 108 A 7.72 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.41 4.73 0.00 3.54 3.20 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 0.00 110 V 8.78 3.70 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 1.18 0.00 0.00 0.98 0.00 0.00 111 A 8.25 3.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.42 3.83 0.00 3.48 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.11 3.67 0.00 2.01 1.98 0.00 3.33 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.16 0.00 114 N 8.16 4.47 0.00 2.54 2.73 0.00 0.00 6.85 8.33 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 0.00 115 E 7.74 4.13 0.00 1.59 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 1.47 1.56 0.00 116 C 7.72 4.54 0.00 1.89 2.79 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 0.00 117 Q 6.57 3.51 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 118 N 8.65 4.19 0.00 2.77 2.80 0.00 0.00 6.89 7.66 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 0.00 119 R 7.49 4.55 0.00 1.88 1.86 0.00 3.08 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 120 D 8.48 4.62 0.00 2.65 2.69 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 0.00 0.00 0.00 0.00 121 V 8.33 4.53 2.49 0.00 0.00 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 1.05 0.00 0.00 122 R 8.20 4.07 0.00 2.16 2.02 0.00 3.24 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 123 Q 8.22 4.11 0.00 1.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 124 Y 8.01 4.37 0.00 3.21 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 0.00 125 V 7.86 4.41 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 1.15 0.00 0.00 1.06 0.00 0.00 126 Q 7.59 4.11 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 127 G 9.01 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 0.00 128 C 7.91 4.38 0.00 2.95 3.15 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 0.00 129 G 8.10 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 0.00 0.00 0.00 130 V 7.71 3.99 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 0.85 0.00 0.00 1.01 0.00 0.00