NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2167 8.3144 121.7900 55.7476 33.3692 175.0878 2 E 3.8494 8.6209 126.6430 54.5092 30.1242 175.8386 3 T 4.3205 8.7231 118.7225 60.8586 72.4274 175.0661 4 A 3.9873 8.4547 122.5537 55.2344 18.3733 179.7557 5 A 4.1477 8.0043 118.5866 55.3804 18.5426 179.5964 6 A 4.0222 8.0922 119.3742 55.1399 18.3445 179.7993 7 K 3.9221 8.3985 118.5974 59.3981 32.1393 178.9384 8 F 4.1105 8.3516 121.0831 61.3091 39.3688 176.9165 9 E 3.9795 8.3852 118.2783 59.4816 29.0626 179.4366 10 R 3.8664 7.9177 117.4740 59.5616 30.3023 178.2341 11 Q 4.0181 8.0066 116.1807 57.9052 29.0221 176.2710 12 H 4.8033 8.0318 114.2888 53.7657 31.7409 173.0971 13 M 4.6312 7.7942 118.3326 54.0809 33.2486 177.0428 14 D 4.7954 8.6905 121.5278 53.9290 42.1588 175.8712 15 S 4.5477 8.2008 116.9841 60.4483 63.0578 175.3823 16 S 3.7036 7.5000 114.8300 62.1654 62.9505 174.2968 *21 S 3.8563 7.6674 125.2393 58.1402 63.4487 174.2283 22 S 4.4723 8.2416 120.6939 57.4073 63.7586 175.1387 23 S 4.3941 8.5103 114.0402 60.0749 63.1893 174.4875 24 N 4.6984 8.0179 117.9190 54.0013 39.4225 175.9603 25 Y 4.0184 7.7340 119.4507 61.5310 38.5729 177.5893 26 C 4.2289 8.7779 116.7781 60.1755 38.6560 176.0379 27 N 4.4077 8.2022 117.4674 56.3650 38.1060 177.3979 28 Q 3.7775 7.8791 119.0302 59.1493 28.9663 178.4205 29 M 3.8215 7.7371 121.1747 58.1256 31.8839 178.7195 30 M 4.0147 7.9935 118.8979 58.0774 31.9766 178.8330 31 K 4.0662 7.7479 120.9926 58.6428 32.4828 179.1157 32 S 4.1981 8.3684 114.7070 60.7964 62.4925 175.4859 33 R 4.4971 7.6971 119.8459 54.8171 30.3773 175.7321 34 N 4.1971 7.8923 114.6764 54.7042 36.5419 174.8264 35 L 4.5909 8.0767 115.9377 54.9777 42.5677 177.9191 36 T 5.2760 7.4778 108.5928 60.5415 69.2765 176.4572 37 K 4.2586 8.2877 121.5454 60.3507 32.6033 178.4267 38 D 4.4151 8.0479 117.5493 56.4533 41.4981 176.2910 39 R 3.6129 7.0771 113.5615 55.5811 31.0408 174.0599 40 C 4.6400 8.7386 116.2813 55.7419 39.6284 173.8933 41 K 4.0259 8.3103 126.0082 56.2407 32.1799 174.3217 42 P 4.5225 0.0000 0.0000 65.3577 31.5646 176.1970 43 V 5.1760 7.5561 109.7613 60.2874 36.0514 173.4124 44 N 4.8222 8.9296 119.8724 52.9701 42.9328 173.1565 45 T 4.8505 7.7947 118.4317 61.5783 72.7383 172.6902 46 F 4.9553 8.7395 124.1044 55.6134 42.1352 174.4716 47 V 4.5322 9.1726 124.2462 61.7321 33.1638 175.5679 48 H 5.6927 9.0200 124.0004 55.5001 29.8425 175.3652 49 E 4.3133 8.0387 118.7779 55.2737 30.6293 176.8685 50 S 4.4266 8.2738 114.7348 58.0029 65.1349 174.7895 51 L 3.9877 8.5285 124.3521 58.4660 41.8933 179.0646 52 A 4.0272 8.0594 120.0701 55.4564 18.0764 179.2183 53 D 4.3196 7.8761 116.1253 57.5221 41.2793 178.9134 54 V 3.8038 7.9670 118.8062 66.1110 31.6547 178.1752 55 Q 3.9287 8.6346 118.0786 58.6915 28.6328 178.3506 56 A 4.1107 8.0252 121.3148 54.3512 18.2654 179.6335 57 V 3.5447 7.5749 116.9665 65.8825 31.3255 177.0792 58 C 3.6463 7.7345 114.8987 58.1893 39.9028 174.2708 59 S 4.6737 7.3976 113.4136 58.0000 63.9469 174.5116 60 Q 4.4972 7.4956 124.6836 56.0531 26.9231 178.1010 61 K 4.1769 7.9291 132.3710 56.7144 32.7748 174.9941 62 N 4.3409 8.7488 127.7091 53.5951 38.9812 174.3446 63 V 4.5863 8.4195 118.7879 59.0420 36.5915 175.1197 64 A 4.2865 8.3888 124.9937 52.3207 19.0410 178.5487 65 C 4.7206 9.0025 119.4500 56.0390 41.2281 175.3587 66 K 3.7278 8.9245 122.1152 59.5052 31.6442 178.1065 67 N 4.5158 8.0443 113.3713 53.0804 37.6536 175.7952 68 G 3.9331 8.2198 108.5094 45.3930 0.0000 174.0646 69 Q 4.1929 8.7437 119.3917 56.2246 29.2868 176.3793 70 T 4.3657 8.2672 112.3398 62.0953 67.8827 173.6339 71 N 5.0196 7.8562 117.4255 54.2312 38.5820 175.0098 72 C 5.3647 7.4527 115.9702 56.7593 44.3965 172.8396 73 Y 5.1618 9.0347 118.9119 56.3156 42.1037 173.9445 74 Q 5.0973 9.0857 124.9439 53.9749 31.5642 174.8886 75 S 4.5072 8.6909 121.7492 58.6405 63.1287 174.3408 76 Y 4.5032 9.3002 121.9826 60.2400 37.9457 176.2065 77 S 5.1393 7.7754 112.2959 55.9985 66.0885 174.3787 78 T 4.0088 8.4120 110.9109 62.4163 69.5446 173.1440 79 M 5.0337 9.0055 121.4771 53.4481 36.8316 174.6640 80 S 4.9601 9.9439 117.9563 57.7835 63.7901 173.1173 81 I 5.1810 8.8512 119.8844 59.8221 42.1243 174.0611 82 T 5.0194 8.6398 117.7384 62.2204 72.6090 173.1254 83 D 5.1647 9.3926 127.2715 53.4463 43.0608 174.8568 84 C 5.5007 9.4077 120.9501 55.2699 41.3062 172.8458 85 R 5.0412 8.6585 124.1907 53.9887 32.6447 174.2694 86 E 4.0883 9.0525 128.6251 56.5080 30.1137 176.7894 87 T 4.1777 8.4110 118.1188 61.0415 69.7427 175.1300 88 G 3.6888 8.6425 110.3440 48.4832 0.0000 175.6597 89 S 4.3580 7.8854 111.6884 59.0062 63.3153 173.9057 90 S 4.2971 7.2735 116.1463 57.8679 62.8761 173.4773 91 K 4.5529 8.5587 126.0505 54.6423 35.7652 175.2972 92 Y 4.4241 8.7173 125.3630 57.3616 39.1570 174.0193 93 P 3.1889 0.0000 0.0000 63.0638 31.9542 176.9241 94 N 4.6132 7.8347 119.3400 52.3347 37.0621 171.8840 95 C 4.6494 8.2520 117.9930 56.1043 41.9274 172.9404 96 A 5.1359 8.9098 126.5140 50.3268 21.2539 174.7069 97 Y 5.1113 9.8251 119.4518 55.9970 42.3154 175.2180 98 K 4.4475 9.4419 124.1800 55.3796 33.8195 175.5992 99 T 4.7965 8.6365 125.5443 63.2998 69.3233 174.4838 100 T 4.5980 8.7868 124.1470 61.6613 71.2496 173.6590 101 Q 4.7657 8.7004 127.5338 55.7645 30.6537 174.0444 102 A 4.4464 8.2158 124.3666 51.6931 23.4447 175.1890 103 N 5.3950 8.5307 115.3147 51.6637 41.4725 173.9927 104 K 4.6897 8.7835 122.3133 54.4483 37.6745 175.4274 105 H 4.8083 9.0023 119.0632 55.8680 29.8200 175.0491 106 I 4.8197 8.6703 116.0310 59.3861 40.7239 174.4721 107 I 4.8960 8.3471 124.0883 59.7078 40.2527 175.0215 108 V 4.7708 8.6388 119.6221 59.2936 35.8322 174.5334 109 A 4.9712 8.8823 125.8968 51.3141 20.2701 175.8201 110 C 5.0931 8.7106 119.3932 55.4709 40.2238 172.9561 111 E 4.5866 8.5408 119.3696 56.8523 34.5565 175.7879 112 G 4.0121 9.1626 109.3385 45.0012 0.0000 171.8965 113 N 5.0045 8.2839 116.3278 50.7400 40.3217 172.3109 114 P 4.3161 0.0000 0.0000 62.6917 31.9481 176.0284 115 Y 4.7599 8.3325 121.6153 57.3288 38.6146 174.6082 116 V 4.4412 8.2046 119.4216 58.1960 36.5444 173.5036 117 P 4.4455 0.0000 0.0000 63.0022 31.1386 176.9623 118 V 4.5064 8.3906 114.9838 61.0566 33.9982 175.2575 119 H 4.9532 7.8218 119.5330 55.0753 33.3859 171.8031 120 F 4.6512 8.8589 128.5531 57.6493 39.3129 174.3242 121 D 4.5431 8.4027 126.9737 56.2172 42.1355 175.7453 122 A 4.5384 6.4065 117.3308 51.4176 22.5862 174.9945 123 S 5.0745 8.7949 113.2587 56.7153 65.8691 174.6750 124 V 4.1381 9.0153 116.9728 61.4094 32.2320 175.5070 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 8.31 4.22 0.00 1.74 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.62 3.85 0.00 2.06 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 2.38 0.00 3 T 8.72 4.32 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 1.23 0.00 0.00 4 A 8.45 3.99 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 5 A 8.00 4.15 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 6 A 8.09 4.02 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 7 K 8.40 3.92 0.00 2.00 2.06 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 8 F 8.35 4.11 0.00 3.18 3.27 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 9 E 8.39 3.98 0.00 2.31 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 0.00 2.51 2.69 0.00 10 R 7.92 3.87 0.00 1.81 2.07 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 11 Q 8.01 4.02 0.00 1.69 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 12 H 8.03 4.80 0.00 1.88 2.60 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.79 4.63 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 14 D 8.69 4.80 0.00 2.75 2.60 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 15 S 8.20 4.55 0.00 3.93 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 16 S 7.50 3.70 0.00 3.86 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 7.67 3.86 0.00 3.61 3.37 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 22 S 8.24 4.47 0.00 4.02 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 23 S 8.51 4.39 0.00 4.03 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 24 N 8.02 4.70 0.00 2.85 3.00 0.00 0.00 6.46 7.39 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 25 Y 7.73 4.02 0.00 3.11 3.04 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 26 C 8.78 4.23 0.00 3.17 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 27 N 8.20 4.41 0.00 2.92 2.92 0.00 0.00 7.15 7.74 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 28 Q 7.88 3.78 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 29 M 7.74 3.82 0.00 0.72 1.24 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.49 0.00 30 M 7.99 4.01 0.00 1.64 1.91 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.42 0.00 31 K 7.75 4.07 0.00 1.81 1.89 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.30 7.81 32 S 8.37 4.20 0.00 3.97 4.02 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 33 R 7.70 4.50 0.00 1.93 2.09 0.00 3.63 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 34 N 7.89 4.20 0.00 2.87 2.89 0.00 0.00 6.80 7.36 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 35 L 8.08 4.59 0.00 1.82 1.63 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.48 5.28 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 1.41 0.00 0.00 37 K 8.29 4.26 0.00 1.81 1.95 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.48 1.49 7.81 38 D 8.05 4.42 0.00 2.63 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 39 R 7.08 3.61 0.00 1.73 1.77 0.00 2.89 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 40 C 8.74 4.64 0.00 3.09 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 41 K 8.31 4.03 0.00 1.94 1.80 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.44 7.81 42 P 0.00 4.52 0.00 2.15 2.15 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 43 V 7.56 5.18 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 0.72 0.00 0.00 0.97 0.00 0.00 44 N 8.93 4.82 0.00 2.59 2.26 0.00 0.00 7.18 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 T 7.79 4.85 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 0.75 0.00 0.00 46 F 8.74 4.96 0.00 3.02 2.87 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 47 V 9.17 4.53 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 1.06 0.00 0.00 0.96 0.00 0.00 48 H 9.02 5.69 0.00 3.11 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.04 4.31 0.00 2.02 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 2.36 2.29 0.00 50 S 8.27 4.43 0.00 4.08 4.02 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 51 L 8.53 3.99 0.00 1.83 1.75 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.06 4.03 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 D 7.88 4.32 0.00 2.87 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 54 V 7.97 3.80 2.32 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 1.28 0.00 0.00 1.12 0.00 0.00 55 Q 8.63 3.93 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 56 A 8.03 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.54 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 1.09 0.00 0.00 1.02 0.00 0.00 58 C 7.73 3.65 0.00 2.87 2.72 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 59 S 7.40 4.67 0.00 3.98 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 60 Q 7.50 4.50 0.00 1.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 61 K 7.93 4.18 0.00 1.55 1.64 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 62 N 8.75 4.34 0.00 2.74 2.64 0.00 0.00 7.01 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 63 V 8.42 4.59 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 0.71 0.00 0.00 0.80 0.00 0.00 64 A 8.39 4.29 1.19 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 0.00 0.00 65 C 9.00 4.72 0.00 3.18 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 66 K 8.92 3.73 0.00 1.74 1.88 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 67 N 8.04 4.52 0.00 2.79 2.91 0.00 0.00 6.28 7.00 0.00 0.00 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 8.22 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 0.00 0.00 0.00 69 Q 8.74 4.19 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 70 T 8.27 4.37 4.21 0.00 0.00 0.00 0.00 0.00 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 71 N 7.86 5.02 0.00 3.14 3.14 0.00 0.00 6.09 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 72 C 7.45 5.36 0.00 2.84 2.89 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 73 Y 9.03 5.16 0.00 2.77 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 74 Q 9.09 5.10 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 75 S 8.69 4.51 0.00 3.99 3.86 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 76 Y 9.30 4.50 0.00 3.05 3.01 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 77 S 7.78 5.14 0.00 3.87 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 78 T 8.41 4.01 4.18 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 1.05 0.00 0.00 79 M 9.01 5.03 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 80 S 9.94 4.96 0.00 3.88 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 81 I 8.85 5.18 1.90 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 1.40 0.59 1.01 0.00 0.00 82 T 8.64 5.02 4.36 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 1.26 0.00 0.00 83 D 9.39 5.16 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.41 5.50 0.00 2.83 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 85 R 8.66 5.04 0.00 1.94 1.81 0.00 3.13 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 86 E 9.05 4.09 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.92 0.00 87 T 8.41 4.18 4.21 0.00 0.00 0.00 0.00 0.00 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 G 8.64 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 89 S 7.89 4.36 0.00 3.97 3.98 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 90 S 7.27 4.30 0.00 3.88 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 91 K 8.56 4.55 0.00 1.78 1.65 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.51 7.81 92 Y 8.72 4.42 0.00 2.90 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 93 P 0.00 3.19 0.00 1.78 1.21 0.00 3.64 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 94 N 7.83 4.61 0.00 2.93 2.76 0.00 0.00 7.00 7.23 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 95 C 8.25 4.65 0.00 3.18 3.05 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 96 A 8.91 5.14 1.13 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 0.00 0.00 97 Y 9.83 5.11 0.00 2.82 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 98 K 9.44 4.45 0.00 1.84 1.84 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 99 T 8.64 4.80 4.33 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 1.32 0.00 0.00 100 T 8.79 4.60 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 1.23 0.00 0.00 101 Q 8.70 4.77 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 102 A 8.22 4.45 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 0.00 103 N 8.53 5.39 0.00 2.60 2.72 0.00 0.00 6.54 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.78 4.69 0.00 1.73 1.97 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 105 H 9.00 4.81 0.00 3.11 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.67 4.82 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 1.16 0.00 0.00 107 I 8.35 4.90 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 0.78 0.00 0.00 108 V 8.64 4.77 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 0.73 0.00 0.00 0.82 0.00 0.00 109 A 8.88 4.97 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 0.00 110 C 8.71 5.09 0.00 1.86 1.78 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 0.00 111 E 8.54 4.59 0.00 1.84 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 0.00 2.28 2.22 0.00 112 G 9.16 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 0.00 113 N 8.28 5.00 0.00 2.63 2.71 0.00 0.00 6.90 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 0.00 114 P 0.00 4.32 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.33 4.76 0.00 2.82 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 0.00 116 V 8.20 4.44 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 0.73 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.45 0.00 0.49 0.95 0.00 3.32 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 118 V 8.39 4.51 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 0.60 0.00 0.00 0.95 0.00 0.00 119 H 7.82 4.95 0.00 3.28 3.13 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.86 4.65 0.00 2.67 2.57 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 0.00 0.00 0.00 0.00 121 D 8.40 4.54 0.00 2.57 2.55 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 0.00 122 A 6.41 4.54 1.14 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 0.00 0.00 123 S 8.79 5.07 0.00 3.96 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 0.00 124 V 9.02 4.14 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 0.76 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.