NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3474 8.0333 110.9389 60.9615 70.4766 175.3401 5 L 3.8523 7.7691 122.8232 56.3695 41.8461 177.5105 6 K 4.0030 8.8309 120.5156 58.7560 33.2649 176.5887 7 N 4.8318 7.7894 114.1671 52.7119 38.7927 174.2400 8 I 4.4666 7.4379 120.0513 59.2873 39.6730 174.8077 9 K 4.7279 8.4307 124.5679 55.2388 33.3461 177.7830 10 V 3.5822 8.7228 124.4432 66.0531 31.4914 178.3683 11 K 4.0088 7.7882 117.0038 59.2373 32.3740 177.2577 12 D 4.6079 8.2647 118.2085 54.7585 41.2969 177.0347 13 V 4.1684 7.5386 118.3007 62.8649 31.8726 175.0664 *15 T 4.1170 7.6219 113.9405 63.1425 69.3200 174.5288 16 K 4.0538 8.5272 125.5665 58.8227 32.8782 178.8105 17 N 4.8300 7.6886 115.3022 52.2553 39.0392 176.1409 18 V 3.5313 7.8244 116.3279 62.3551 31.7802 175.7945 19 I 3.9296 8.1938 124.3440 61.2603 37.6736 174.9801 20 T 4.9707 8.2317 113.4706 59.8099 72.3229 172.4176 21 A 5.0534 8.7101 121.7625 48.9995 22.7300 175.3151 22 K 4.9768 8.5288 118.3229 54.3274 35.1299 177.9601 23 R 3.9375 8.5849 118.3549 58.8577 29.7035 177.7425 24 H 4.7117 7.9938 114.0417 55.9747 29.2016 174.9631 25 E 4.3815 7.7726 118.8281 54.8750 30.8783 176.2094 26 G 3.8304 8.4870 107.4853 44.7515 0.0000 175.4425 27 V 3.6069 8.2246 125.5123 64.4878 31.4618 178.9557 28 V 3.6480 7.7223 118.6783 65.8820 31.4906 177.6538 29 E 4.0151 8.2386 116.5676 59.3800 29.1697 178.5614 30 A 4.0208 8.1979 121.2483 54.8674 18.5023 179.0879 31 F 4.3247 8.2884 117.9499 61.7162 39.8595 176.7268 32 E 4.0443 8.3574 118.1817 59.2320 29.2867 179.4865 33 K 4.2708 7.8721 117.2145 57.0444 31.9523 178.4050 *35 L 4.0760 7.8581 119.1490 54.0443 43.4549 178.3755 36 K 3.8064 7.8914 118.6716 58.5767 32.1077 176.9486 37 Y 4.6308 7.5127 113.1860 56.7537 38.4669 175.5042 38 K 3.8312 7.8983 117.5979 57.6429 29.5095 175.0827 39 I 4.5553 7.6711 110.2124 59.2669 40.1527 175.3362 40 S 4.8579 8.4930 115.7622 58.8036 65.1268 173.4366 41 S 5.1066 7.8786 113.2401 56.8325 66.3077 173.6095 42 L 4.6369 8.8445 122.4263 52.7212 44.8881 173.7558 43 P 4.6478 0.0000 0.0000 62.5552 32.8926 175.5640 44 V 4.8650 8.8426 124.9320 61.4863 33.0350 174.6718 45 I 5.1456 8.3485 121.1823 59.2275 40.8149 175.3666 46 D 4.7254 8.2794 123.1485 52.3868 41.4150 176.5813 47 D 4.5724 8.5628 117.3649 55.9022 40.6957 176.6818 48 E 4.4728 8.1228 117.5900 55.5471 30.1311 175.3134 49 N 4.2204 8.2249 115.8912 54.3342 38.3374 173.8078 50 K 4.5582 7.8917 115.5849 55.1189 32.9546 176.5724 51 V 4.1427 7.5951 120.5258 62.9928 31.5287 175.5853 52 I 4.2637 8.3815 128.7063 62.5230 39.3849 175.5303 53 G 4.1005 7.5692 106.2566 46.6582 0.0000 171.8888 54 I 5.1165 8.0122 118.3501 60.0602 41.4593 175.2121 55 V 4.7788 8.5215 120.0396 59.7606 35.8624 174.6908 56 T 5.1597 8.3748 113.2152 59.7606 71.8194 174.9829 57 T 4.1323 9.0541 114.8626 65.5153 68.6953 176.5997 58 T 3.9334 8.0728 118.0306 66.6581 68.5181 176.0607 59 D 4.4086 8.1289 120.2441 57.4514 40.9236 178.8228 60 I 4.0246 8.1558 120.5384 64.4914 37.1081 178.6910 61 G 3.2873 8.7880 106.7300 47.7175 0.0000 174.9072 62 Y 4.0877 7.8780 121.5239 60.7753 38.8778 178.2244 63 N 3.8842 8.0954 117.2238 55.6715 38.5916 177.1860 64 L 3.7335 7.8465 122.3183 58.1113 41.9683 178.6982 65 I 3.8808 7.5801 116.2279 62.4949 37.9243 176.8232 66 R 4.3575 6.7299 116.4879 55.5178 30.5022 175.3534 67 D 4.3778 7.4377 116.0705 55.4925 38.6775 174.9539 68 K 4.1419 7.7432 117.3449 57.2573 32.3940 176.6752 69 Y 5.1257 7.4798 116.3678 56.2535 40.8595 174.6390 70 T 4.6552 8.0797 111.8363 59.4044 71.5949 174.5569 71 L 4.1944 8.3146 122.0414 56.7673 42.1969 177.1555 72 E 4.2333 7.7326 117.2375 58.6141 30.2420 176.9611 73 T 4.0882 7.6756 110.6449 61.2457 69.5500 174.4152 74 T 4.7486 9.0093 116.2868 60.0018 70.8836 174.7352 75 I 3.7596 8.7436 124.1742 64.7230 37.3044 179.0306 76 G 3.6437 8.2594 108.0566 48.5806 0.0000 174.6469 77 D 4.5067 7.8468 118.5819 56.4732 40.9571 177.1109 78 V 4.2618 7.3244 111.7469 59.1052 32.0125 173.5124 *80 T 4.1410 7.7710 118.0726 63.2862 69.8646 175.0589 81 K 4.1493 8.7288 124.8449 57.9027 33.6050 177.4358 82 D 4.7305 7.6845 120.0093 52.7301 39.4009 176.2026 83 V 3.8902 7.2783 119.3142 61.1194 33.0006 176.7067 84 I 4.2163 8.2617 124.7509 61.2231 37.6041 175.2169 85 T 4.8845 8.5299 116.2425 59.8155 72.0888 172.8127 86 I 4.7105 8.1800 120.8067 59.2456 41.9409 173.8658 87 H 5.0180 8.7630 127.4750 55.7522 30.8753 176.1048 88 E 3.9847 8.7757 122.3936 58.9487 29.5422 177.9841 89 D 4.5866 7.2294 116.7657 54.0040 41.5307 176.4001 90 A 4.1769 7.7108 123.9203 51.5465 19.0344 177.6995 91 S 4.8981 8.9014 116.3974 58.0565 65.2034 175.8164 92 I 3.7216 8.2892 122.8094 64.0729 36.5852 178.5090 93 L 3.9075 7.6165 120.5501 58.3990 42.0184 178.6229 94 E 3.9272 8.1408 118.0229 59.6759 29.1683 179.6914 95 A 3.9693 7.4393 119.6840 55.1412 18.5851 179.3101 96 I 3.7815 7.7064 117.1561 64.5908 37.4689 178.1514 97 K 4.0775 8.3145 119.5011 59.5852 31.7347 180.7863 98 K 4.2879 7.7048 115.7666 56.7047 32.0296 177.6886 *100 D 4.5176 8.1354 121.0039 53.9098 42.8367 174.8619 101 I 3.4787 8.1771 112.9445 61.8645 37.2024 175.6745 102 S 3.1753 8.7607 119.1398 59.1062 65.3248 170.5137 103 G 3.6044 8.4180 108.5258 44.7036 0.0000 172.7332 *109 I 3.9226 7.8961 116.2656 61.0421 38.8162 175.3078 110 N 4.9936 8.5463 118.9894 53.8514 40.2901 174.5093 111 Q 5.1032 7.9885 116.4667 53.9125 33.0701 174.4603 112 L 4.7729 9.1970 122.9597 52.0957 45.0479 174.3688 113 P 4.7171 0.0000 0.0000 62.7285 32.8303 175.2967 114 V 4.7881 9.4680 125.1669 61.4742 33.6226 174.8959 115 V 5.0363 8.5912 120.7576 59.5961 35.3497 176.3013 116 D 5.1266 8.7656 123.5294 52.6260 41.0600 176.5921 117 K 4.0627 8.6681 118.9980 58.6747 32.0536 177.3813 118 N 4.8407 8.5675 114.9001 53.4573 39.3931 175.2498 119 N 4.5530 8.4455 114.5687 53.5847 36.9449 174.1870 120 K 4.4917 7.5158 118.6268 55.3535 32.9134 176.3078 121 L 4.4250 8.4989 125.3954 55.5677 42.1906 177.1205 122 V 4.2957 9.1380 118.9371 60.3469 33.7978 175.8468 123 G 3.9574 6.7859 105.3010 45.8731 0.0000 170.9922 124 I 4.9020 7.9112 118.9831 59.5055 41.2355 175.1528 125 I 4.9050 8.7021 124.4243 59.3281 41.4434 174.3168 126 S 5.0832 9.1667 122.6728 55.9995 66.6606 174.6120 127 D 4.4901 8.9438 119.9660 57.8464 40.5001 179.6238 128 G 3.6937 8.2372 105.0210 48.2067 0.0000 174.8509 129 D 4.4388 7.8129 122.1365 57.0402 40.9191 179.8532 130 I 3.7460 7.6177 119.6821 64.4546 37.1789 178.5194 131 I 3.7144 8.1378 121.1022 64.3553 36.6883 178.3354 132 R 3.8868 8.2963 118.7703 59.7493 30.2468 178.4369 133 T 4.0125 7.7852 114.8980 66.8914 68.0398 176.8417 134 I 3.7618 8.2054 121.9663 64.3131 36.8234 178.4134 135 S 4.1767 7.9993 113.1935 60.6842 62.2162 175.6632 136 K 4.2276 7.6772 119.9131 58.4245 32.2128 176.7641 137 I 3.9117 7.3090 123.0245 61.5450 36.9951 175.6391 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 4 T 8.03 4.35 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 5 L 7.77 3.85 0.00 1.81 1.76 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.83 4.00 0.00 1.71 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 N 7.79 4.83 0.00 2.71 2.80 0.00 0.00 6.86 7.34 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 8 I 7.44 4.47 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 1.41 0.88 0.90 0.00 0.00 9 K 8.43 4.73 0.00 1.98 1.69 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.40 7.81 10 V 8.72 3.58 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 0.96 0.00 0.00 1.02 0.00 0.00 11 K 7.79 4.01 0.00 1.92 2.13 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.40 7.81 12 D 8.26 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 13 V 7.54 4.17 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 0.79 0.00 0.00 0.93 0.00 0.00 *15 T 7.62 4.12 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 1.20 0.00 0.00 16 K 8.53 4.05 0.00 1.73 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.44 7.81 17 N 7.69 4.83 0.00 2.68 2.79 0.00 0.00 6.86 7.68 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 18 V 7.82 3.53 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 0.92 0.00 0.00 19 I 8.19 3.93 1.82 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.81 0.00 0.00 20 T 8.23 4.97 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 1.24 0.00 0.00 21 A 8.71 5.05 1.25 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 0.00 0.00 22 K 8.53 4.98 0.00 1.66 1.68 0.00 1.67 0.00 0.00 2.00 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.34 7.81 23 R 8.58 3.94 0.00 1.94 2.14 0.00 2.87 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 0.00 24 H 7.99 4.71 0.00 3.16 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.77 4.38 0.00 2.31 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 0.00 2.54 2.26 0.00 26 G 8.49 3.83 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 0.00 0.00 0.00 27 V 8.22 3.61 1.82 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 0.12 0.00 0.00 0.74 0.00 0.00 28 V 7.72 3.65 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 1.14 0.00 0.00 0.97 0.00 0.00 29 E 8.24 4.02 0.00 2.27 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 2.49 2.41 0.00 30 A 8.20 4.02 1.42 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 0.00 0.00 31 F 8.29 4.32 0.00 3.11 3.35 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 32 E 8.36 4.04 0.00 2.23 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 2.42 2.64 0.00 33 K 7.87 4.27 0.00 2.03 2.03 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.85 7.81 *35 L 7.86 4.08 0.00 1.62 1.55 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.89 3.81 0.00 1.64 0.95 0.00 1.53 0.00 0.00 0.96 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.00 1.15 7.81 37 Y 7.51 4.63 0.00 3.03 2.88 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 38 K 7.90 3.83 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 39 I 7.67 4.56 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 1.53 0.66 0.95 0.00 0.00 40 S 8.49 4.86 0.00 3.92 4.14 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 41 S 7.88 5.11 0.00 3.86 3.84 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 42 L 8.84 4.64 0.00 1.77 1.55 1.01 0.99 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 43 P 0.00 4.65 0.00 2.11 1.95 0.00 3.79 0.00 0.00 3.70 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 44 V 8.84 4.86 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 1.06 0.00 0.00 0.93 0.00 0.00 45 I 8.35 5.15 1.86 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 1.27 0.84 0.94 0.00 0.00 46 D 8.28 4.73 0.00 2.94 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 47 D 8.56 4.57 0.00 2.68 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 48 E 8.12 4.47 0.00 1.92 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 2.20 2.25 0.00 49 N 8.22 4.22 0.00 2.97 2.83 0.00 0.00 7.23 7.12 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 50 K 7.89 4.56 0.00 2.23 1.70 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.36 7.81 51 V 7.60 4.14 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 0.76 0.00 0.00 0.93 0.00 0.00 52 I 8.38 4.26 1.86 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 1.32 1.01 0.90 0.00 0.00 53 G 7.57 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 54 I 8.01 5.12 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 1.25 0.75 0.93 0.00 0.00 55 V 8.52 4.78 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 0.71 0.00 0.00 1.03 0.00 0.00 56 T 8.37 5.16 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 1.24 0.00 0.00 57 T 9.05 4.13 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 1.24 0.00 0.00 58 T 8.07 3.93 4.28 0.00 0.00 0.00 0.00 0.00 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 59 D 8.13 4.41 0.00 2.80 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 60 I 8.16 4.02 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.13 0.95 0.00 0.00 61 G 8.79 3.29 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 0.00 62 Y 7.88 4.09 0.00 3.14 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 63 N 8.10 3.88 0.00 2.15 1.85 0.00 0.00 6.74 6.81 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 64 L 7.85 3.73 0.00 1.64 1.50 0.89 0.38 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 65 I 7.58 3.88 1.93 0.00 0.00 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 1.50 0.75 0.84 0.00 0.00 66 R 6.73 4.36 0.00 1.54 1.65 0.00 2.83 0.00 0.00 2.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.27 0.00 67 D 7.44 4.38 0.00 2.76 2.70 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 0.00 0.00 0.00 0.00 68 K 7.74 4.14 0.00 1.43 1.54 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.16 7.81 69 Y 7.48 5.13 0.00 2.86 2.66 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 70 T 8.08 4.66 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 1.24 0.00 0.00 71 L 8.31 4.19 0.00 1.62 1.73 0.94 0.92 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 72 E 7.73 4.23 0.00 1.96 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 2.24 0.00 73 T 7.68 4.09 4.17 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 1.28 0.00 0.00 74 T 9.01 4.75 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 1.24 0.00 0.00 75 I 8.74 3.76 1.99 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 1.44 0.90 0.90 0.00 0.00 76 G 8.26 3.64 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 0.00 0.00 0.00 77 D 7.85 4.51 0.00 2.80 2.75 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 78 V 7.32 4.26 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 0.55 0.00 0.00 0.92 0.00 0.00 *80 T 7.77 4.14 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 81 K 8.73 4.15 0.00 1.75 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 82 D 7.68 4.73 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.28 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 0.73 0.00 0.00 0.94 0.00 0.00 84 I 8.26 4.22 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 1.40 0.42 0.91 0.00 0.00 85 T 8.53 4.88 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 1.22 0.00 0.00 86 I 8.18 4.71 1.88 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 1.12 1.70 0.91 0.00 0.00 87 H 8.76 5.02 0.00 3.28 3.16 0.00 5.92 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.78 3.98 0.00 2.14 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 0.00 2.21 2.19 0.00 89 D 7.23 4.59 0.00 2.51 2.70 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 0.00 0.00 0.00 0.00 90 A 7.71 4.18 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 91 S 8.90 4.90 0.00 4.31 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 92 I 8.29 3.72 2.04 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 1.60 0.92 0.91 0.00 0.00 93 L 7.62 3.91 0.00 1.78 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.14 3.93 0.00 2.25 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 2.34 2.37 0.00 95 A 7.44 3.97 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 96 I 7.71 3.78 2.00 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 1.52 0.71 0.91 0.00 0.00 97 K 8.31 4.08 0.00 1.91 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 98 K 7.70 4.29 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.54 7.81 *100 D 8.14 4.52 0.00 2.64 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 0.00 101 I 8.18 3.48 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 1.35 0.71 0.99 0.00 0.00 102 S 8.76 3.18 0.00 4.07 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 0.00 103 G 8.42 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 0.00 0.00 0.00 *109 I 7.90 3.92 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 1.41 0.65 0.91 0.00 0.00 110 N 8.55 4.99 0.00 2.75 2.89 0.00 0.00 6.87 7.65 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 0.00 111 Q 7.99 5.10 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 112 L 9.20 4.77 0.00 1.52 1.54 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.72 0.00 2.07 1.97 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 114 V 9.47 4.79 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 0.85 0.00 0.00 1.00 0.00 0.00 115 V 8.59 5.04 2.00 0.00 0.00 0.00 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 1.01 0.00 0.00 116 D 8.77 5.13 0.00 2.96 2.91 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 0.00 117 K 8.67 4.06 0.00 1.76 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.44 7.81 118 N 8.57 4.84 0.00 2.88 2.75 0.00 0.00 6.95 6.46 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 0.00 119 N 8.45 4.55 0.00 2.97 2.95 0.00 0.00 7.04 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 0.00 120 K 7.52 4.49 0.00 1.80 1.71 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.51 7.81 121 L 8.50 4.43 0.00 1.58 1.74 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 122 V 9.14 4.30 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 0.75 0.00 0.00 0.96 0.00 0.00 123 G 6.79 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 0.00 124 I 7.91 4.90 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 1.11 0.71 0.96 0.00 0.00 125 I 8.70 4.91 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 1.28 1.48 0.97 0.00 0.00 126 S 9.17 5.08 0.00 3.92 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 0.00 127 D 8.94 4.49 0.00 2.80 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 0.00 128 G 8.24 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 0.00 0.00 0.00 129 D 7.81 4.44 0.00 2.87 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 0.00 130 I 7.62 3.75 1.99 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 1.52 0.55 0.91 0.00 0.00 131 I 8.14 3.71 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 1.64 0.90 0.91 0.00 0.00 132 R 8.30 3.89 0.00 1.74 2.11 0.00 3.26 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 0.00 133 T 7.79 4.01 4.39 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 1.21 0.00 0.00 134 I 8.21 3.76 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 1.41 1.01 0.91 0.00 0.00 135 S 8.00 4.18 0.00 3.94 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 0.00 136 K 7.68 4.23 0.00 1.79 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.61 7.81 137 I 7.31 3.91 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 1.16 0.34 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.