NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8870 8.3093 115.8614 57.0862 40.2648 175.9951 11 H 4.2074 6.6316 116.5497 56.6273 29.1917 173.6113 12 E 3.8734 8.4076 120.5449 58.3927 30.1793 178.6143 13 M 4.6205 7.7429 115.3863 55.5356 32.4554 177.2065 14 R 4.4677 7.7211 117.5457 56.6769 33.8520 176.1075 15 E 3.9896 8.7258 117.4685 55.6326 29.8095 175.1930 16 P 4.4197 0.0000 0.0000 63.0440 32.0911 174.0212 17 R 4.0523 6.7969 113.8535 56.8466 32.6398 172.3805 18 I 4.6967 8.3673 119.4505 60.0235 38.6108 175.7135 19 E 4.2641 9.4155 129.6803 58.7033 30.1880 176.5708 20 K 4.6092 7.4487 115.3161 56.0208 35.9742 174.7136 21 V 4.5734 8.7239 121.8289 61.2959 34.2694 174.3324 22 V 4.4775 8.3043 129.4090 61.5801 33.1216 174.8054 23 V 4.8053 8.1316 121.6886 59.8640 34.0843 174.4859 24 H 5.4246 8.7892 123.6042 55.5674 34.1401 172.0654 25 M 4.5754 8.2474 121.3111 52.9737 33.6370 174.4611 26 G 3.9286 7.8103 110.8640 47.1963 0.0000 171.5393 27 I 3.8474 8.6963 129.1241 61.5043 37.4398 177.2513 28 G 4.9383 8.6336 126.2271 46.4237 0.0000 172.3347 29 H 4.8876 7.8688 113.1767 56.1350 31.4612 173.9373 *35 A 4.4379 7.0408 124.6279 51.7824 19.2468 180.6237 36 N 4.3338 9.1864 119.8028 57.4128 37.3924 175.5108 37 A 4.2253 7.8505 121.2531 53.6922 19.0953 179.0096 38 E 4.0222 8.4801 116.6615 59.6203 29.2566 178.8529 39 D 4.5050 8.1145 117.3295 57.5090 41.1059 179.1806 40 I 4.6979 7.2899 113.3892 63.8296 37.7317 178.0060 41 L 4.0166 8.1887 121.0844 57.4318 39.8605 179.7792 42 G 3.6127 7.8093 104.3171 47.4615 0.0000 175.9193 43 E 4.0589 8.4186 121.2094 59.3854 29.3968 179.2663 44 I 3.7926 7.8179 116.9725 62.1572 38.3136 176.4284 45 T 4.1694 8.0236 109.0769 61.7029 67.1569 174.9203 46 G 4.5103 5.3800 121.1372 45.1178 0.0000 172.7529 47 Q 4.6844 7.4829 115.3606 53.6935 31.6848 175.0050 48 M 4.0912 8.4272 117.8623 55.1925 32.3525 174.6536 49 P 4.8835 0.0000 0.0000 61.7525 34.0864 174.6450 50 V 4.4717 8.3105 118.4496 60.8205 34.6742 175.2177 51 R 4.6271 8.7848 126.0685 56.9802 31.3092 175.7986 52 T 4.5733 8.7279 116.1558 62.1638 72.0166 173.8826 53 K 5.1960 8.5423 125.8792 55.5443 35.0481 174.6141 54 A 4.5638 7.5777 122.8027 52.3607 22.6916 176.2598 55 K 4.5915 8.1120 117.3656 55.5150 36.1173 172.9699 56 R 3.9783 8.7278 128.3691 55.7996 30.2970 176.8090 57 T 4.2593 8.3244 118.5036 63.3981 69.4815 174.1026 58 V 4.4044 8.9517 124.1184 60.7486 34.2320 176.4656 59 G 3.9803 9.2052 116.7189 48.9532 0.0000 174.1576 60 E 4.0913 8.3050 117.7991 59.3839 27.2913 177.7477 61 F 4.0918 7.7491 128.4204 60.0563 38.1674 176.0040 62 D 4.6621 8.2952 128.3179 53.0028 42.0705 175.7562 63 I 3.7474 7.4906 113.8592 62.7613 39.0019 176.4521 64 R 3.8467 7.7602 120.8287 56.0226 29.0397 175.2892 65 E 3.8315 8.4841 127.8251 58.7035 30.1751 176.4215 66 G 4.1675 7.6597 115.4841 46.1376 0.0000 171.5151 67 D 4.5901 8.4237 123.5394 51.2583 42.0857 173.8042 68 P 4.4531 0.0000 0.0000 64.0424 31.8726 176.6003 69 I 4.7079 8.8449 120.5943 61.6122 42.6330 174.5201 70 G 4.2859 7.8749 107.1265 45.2718 0.0000 172.0463 71 A 5.8401 8.3981 120.5998 50.7716 22.5931 176.0833 72 K 4.9972 8.6797 121.6463 55.4794 36.6405 175.7059 73 V 4.4115 8.3377 120.3264 62.0666 34.2096 173.7108 74 T 4.4850 8.4518 120.1717 60.6990 69.2797 173.9888 75 L 4.5681 8.5205 127.7254 53.6093 43.5025 176.3571 76 R 4.8257 8.0840 120.4877 54.7004 34.6402 175.2816 77 D 4.7244 8.6189 118.8373 55.3892 42.4753 174.8068 *78 E 4.3658 8.0897 114.5740 56.1011 31.9416 175.9383 79 M 3.9585 8.4778 119.5950 58.6868 32.0376 178.6494 80 A 4.1027 8.2500 120.7115 55.2963 18.6728 179.3820 81 E 3.9314 8.2021 116.5697 59.7483 29.4981 179.0899 82 E 4.1232 8.0682 117.8074 60.3682 29.8376 178.6638 83 F 4.3078 8.1541 119.8402 59.5612 39.2571 176.9453 84 L 4.0162 9.1513 118.5362 58.2344 41.5965 179.6827 85 Q 4.0959 8.3492 117.4129 59.0825 28.8821 178.7786 86 T 4.2020 7.5769 105.9879 62.0786 69.7615 175.7778 87 A 4.0592 7.4174 124.4044 54.6408 19.3369 179.2184 88 L 3.4814 8.6106 118.6242 57.5231 41.5349 177.9831 89 P 4.5099 0.0000 0.0000 65.0040 31.2613 177.4097 90 L 4.3922 7.4328 115.6553 53.8568 42.0507 176.0677 91 A 4.7597 7.5809 121.6567 50.4928 22.1386 176.7501 92 E 4.4825 8.3164 120.5281 53.8174 28.6011 176.0468 93 L 4.2769 7.9587 120.4318 54.5174 42.9357 176.5898 94 A 5.3495 8.2356 120.7218 51.6213 22.0196 177.4765 95 T 3.8574 8.9017 117.5117 66.8838 68.6772 176.9055 96 S 4.2082 8.2764 113.8635 61.6901 62.6113 175.3658 97 Q 4.3762 8.4452 116.9949 56.1741 28.0290 175.0223 98 F 5.0673 7.9759 117.0982 55.4960 41.3640 175.1900 99 D 4.6608 10.0997 124.1776 53.8313 41.9542 176.8593 100 D 4.4354 8.9234 125.2590 58.0801 40.8476 178.4777 101 T 3.9654 7.6121 112.0559 65.1254 68.4056 174.9261 102 G 4.1181 8.4427 110.3289 45.9911 0.0000 172.9953 103 N 5.1622 8.2008 115.7897 51.2961 41.7495 173.3894 104 F 4.9407 7.6775 111.6495 56.7418 41.4407 173.2984 105 S 4.7256 8.5396 115.8940 56.6729 65.7296 172.6858 106 F 4.9086 8.3937 122.2072 55.1954 41.0331 174.4821 107 G 3.9619 8.7964 103.5234 44.2118 0.0000 172.2945 *128 L 4.2012 8.1213 122.8986 55.1020 43.1977 176.8239 129 D 5.0895 8.8911 125.6332 52.4104 44.4194 175.3857 130 V 4.2819 8.2186 122.0164 61.4664 34.2436 174.0916 131 T 4.6373 8.6538 125.4200 60.8525 70.8766 173.9367 132 V 4.2741 7.9774 125.8661 61.0148 34.1554 173.8835 133 N 4.8267 9.0810 128.6626 52.4357 39.7198 173.3926 134 L 5.1648 8.2915 126.6232 53.3919 43.4690 176.3530 135 V 4.2898 8.0152 120.8559 60.5772 35.0774 173.1769 136 R 4.0146 8.8932 120.0982 55.8725 31.0885 177.2538 137 P 3.6826 0.0000 0.0000 64.7802 32.9634 176.9807 138 G 3.9997 7.6361 109.0114 45.1401 0.0000 173.3611 139 Y 4.3448 7.8865 121.0407 60.0047 39.8828 177.1268 140 R 3.7409 8.3103 120.0209 59.4474 29.8143 177.8179 141 V 3.4801 7.9070 115.9958 64.7996 31.5135 176.2564 142 A 4.9080 7.7370 119.3336 51.0349 19.3685 176.3986 143 K 4.4210 8.5779 115.1927 56.2378 34.1218 176.7284 144 R 4.3353 7.6272 115.4245 55.1539 30.7691 175.9106 145 D 4.4934 8.1452 117.3187 56.4856 41.4740 177.4542 146 K 3.8546 7.9271 117.7631 58.2590 32.5963 177.1502 147 A 3.7138 8.7248 124.8168 52.3319 16.2802 176.7294 148 S 4.4468 7.1783 114.1301 60.9433 63.7577 173.1587 149 R 4.5699 9.5719 119.5142 55.3756 33.7389 173.6543 150 S 4.4984 8.4730 117.8230 57.5418 63.5971 173.6631 151 I 4.0033 8.2045 126.8553 60.1297 37.7123 174.4225 152 P 4.3836 0.0000 0.0000 62.6253 31.8680 177.4638 153 T 3.6939 8.6977 112.2544 64.3539 68.5456 175.8593 154 K 4.0551 8.0142 120.0957 58.2736 32.4305 176.7745 155 H 4.7166 8.6364 117.2824 55.8991 30.3925 175.1097 156 R 4.2183 7.2569 117.1012 56.3974 30.5913 175.8508 157 L 4.2570 8.1849 122.1357 54.7924 43.1980 176.5837 158 N 4.9454 8.3401 122.0772 51.0970 41.7350 174.3313 159 P 4.2460 0.0000 0.0000 66.1633 31.4946 178.9569 160 A 3.9175 7.8752 118.6309 55.2623 17.9297 179.2455 161 D 4.3306 8.0412 116.5751 56.9881 40.8702 178.7140 162 A 4.1137 8.4131 122.0814 55.0136 18.6880 179.2936 163 V 3.1126 7.8011 116.7577 66.3873 31.3780 177.5518 164 A 3.8934 7.9980 119.8280 55.8188 17.9138 178.7740 165 F 4.0139 7.8360 116.5827 62.3125 39.7133 177.1839 166 I 3.6701 8.3048 118.5166 64.6045 36.8594 177.7393 167 E 4.1710 8.6983 120.4617 59.7332 29.4154 178.7585 168 S 4.5595 8.2092 110.0627 57.9616 63.4261 175.1970 169 T 4.6844 8.0936 117.0921 63.1654 71.0437 171.5687 170 Y 3.2462 7.7189 123.9059 55.9151 34.2804 168.2318 171 D 4.7873 6.6855 117.7326 52.7381 41.9337 175.2505 172 V 4.6498 7.5651 119.5139 61.3394 34.5795 173.7563 173 E 4.5576 8.1051 117.8205 57.5469 30.9824 175.8765 174 V 3.8731 7.9376 115.7371 63.3691 32.5630 174.6530 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 10 F 8.31 4.89 0.00 3.15 3.31 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 0.00 11 H 6.63 4.21 0.00 3.23 2.75 0.00 5.48 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.41 3.87 0.00 1.67 1.88 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 2.23 2.22 0.00 13 M 7.74 4.62 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 14 R 7.72 4.47 0.00 2.03 1.95 0.00 3.38 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 15 E 8.73 3.99 0.00 2.18 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 0.00 2.59 2.30 0.00 16 P 0.00 4.42 0.00 1.02 1.66 0.00 3.85 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 17 R 6.80 4.05 0.00 1.82 1.95 0.00 2.89 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.00 18 I 8.37 4.70 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.99 0.00 0.00 19 E 9.42 4.26 0.00 1.77 1.85 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 2.31 2.29 0.00 20 K 7.45 4.61 0.00 1.76 1.80 0.00 1.44 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.31 7.81 21 V 8.72 4.57 1.93 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 0.90 0.00 0.00 0.95 0.00 0.00 22 V 8.30 4.48 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 0.73 0.00 0.00 0.83 0.00 0.00 23 V 8.13 4.81 1.93 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 0.07 0.00 0.00 0.72 0.00 0.00 24 H 8.79 5.42 0.00 3.31 2.97 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.25 4.58 0.00 1.87 1.84 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 2.51 2.44 0.00 26 G 7.81 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 27 I 8.70 3.85 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.74 0.00 0.00 28 G 8.63 4.94 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 0.00 0.00 0.00 29 H 7.87 4.89 0.00 3.13 3.29 0.00 5.36 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 *35 A 7.04 4.44 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.19 4.33 0.00 2.84 2.98 0.00 0.00 5.87 7.26 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 37 A 7.85 4.23 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 38 E 8.48 4.02 0.00 2.07 2.01 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 2.31 2.44 0.00 39 D 8.11 4.50 0.00 2.64 2.77 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 0.00 0.00 0.00 40 I 7.29 4.70 1.89 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 1.70 1.43 0.92 0.00 0.00 41 L 8.19 4.02 0.00 1.82 1.76 0.88 0.93 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 42 G 7.81 3.61 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 0.00 0.00 0.00 43 E 8.42 4.06 0.00 2.15 2.02 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 2.34 2.45 0.00 44 I 7.82 3.79 1.95 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 1.99 0.82 1.09 0.00 0.00 45 T 8.02 4.17 4.15 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 1.00 0.00 0.00 46 G 5.38 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.48 4.68 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 48 M 8.43 4.09 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 49 P 0.00 4.88 0.00 2.04 2.04 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 50 V 8.31 4.47 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 1.02 0.00 0.00 0.97 0.00 0.00 51 R 8.78 4.63 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.73 4.57 4.40 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 1.20 0.00 0.00 53 K 8.54 5.20 0.00 1.60 1.70 0.00 1.82 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.24 7.81 54 A 7.58 4.56 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.11 4.59 0.00 1.59 1.67 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 56 R 8.73 3.98 0.00 1.97 1.97 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 57 T 8.32 4.26 4.25 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 1.24 0.00 0.00 58 V 8.95 4.40 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 1.03 0.00 0.00 1.04 0.00 0.00 59 G 9.21 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 0.00 0.00 0.00 60 E 8.31 4.09 0.00 2.14 2.05 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 2.31 2.33 0.00 61 F 7.75 4.09 0.00 2.99 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 62 D 8.30 4.66 0.00 3.02 2.48 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 63 I 7.49 3.75 1.91 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 1.36 0.75 1.01 0.00 0.00 64 R 7.76 3.85 0.00 1.72 1.93 0.00 3.19 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 65 E 8.48 3.83 0.00 2.03 1.84 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 2.42 2.37 0.00 66 G 7.66 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 0.00 0.00 0.00 0.00 67 D 8.42 4.59 0.00 2.63 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 68 P 0.00 4.45 0.00 2.07 2.03 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 69 I 8.84 4.71 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.23 0.85 0.00 0.00 70 G 7.87 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 0.00 0.00 0.00 0.00 71 A 8.40 5.84 1.20 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 72 K 8.68 5.00 0.00 1.77 1.91 0.00 1.43 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.35 7.81 73 V 8.34 4.41 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 0.82 0.00 0.00 0.87 0.00 0.00 74 T 8.45 4.48 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 1.15 0.00 0.00 75 L 8.52 4.57 0.00 1.58 1.61 0.73 0.58 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 76 R 8.08 4.83 0.00 1.63 1.78 0.00 3.35 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 77 D 8.62 4.72 0.00 2.85 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.37 0.00 1.87 1.85 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 2.21 2.40 0.00 79 M 8.48 3.96 0.00 2.01 2.29 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 2.70 2.61 0.00 80 A 8.25 4.10 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 81 E 8.20 3.93 0.00 2.17 2.02 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 2.47 2.46 0.00 82 E 8.07 4.12 0.00 2.01 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 2.37 2.54 0.00 83 F 8.15 4.31 0.00 3.33 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 84 L 9.15 4.02 0.00 1.91 1.87 1.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.35 4.10 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 86 T 7.58 4.20 4.13 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 1.15 0.00 0.00 87 A 7.42 4.06 0.74 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 0.00 0.00 88 L 8.61 3.48 0.00 1.59 1.63 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.51 0.00 1.96 2.11 0.00 3.43 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 90 L 7.43 4.39 0.00 1.72 1.71 0.93 0.48 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 91 A 7.58 4.76 0.79 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 92 E 8.32 4.48 0.00 1.96 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 2.21 2.29 0.00 93 L 7.96 4.28 0.00 1.64 1.73 0.77 0.81 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 94 A 8.24 5.35 1.28 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 0.00 0.00 0.00 95 T 8.90 3.86 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 1.17 0.00 0.00 96 S 8.28 4.21 0.00 4.03 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 97 Q 8.45 4.38 0.00 2.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 98 F 7.98 5.07 0.00 3.23 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 99 D 10.10 4.66 0.00 2.79 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 0.00 100 D 8.92 4.44 0.00 2.72 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 0.00 101 T 7.61 3.97 4.52 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 1.23 0.00 0.00 102 G 8.44 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 0.00 0.00 0.00 103 N 8.20 5.16 0.00 2.97 2.67 0.00 0.00 6.54 8.13 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 0.00 104 F 7.68 4.94 0.00 2.27 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 0.00 105 S 8.54 4.73 0.00 3.67 3.58 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 0.00 0.00 0.00 0.00 106 F 8.39 4.91 0.00 3.21 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 0.00 107 G 8.80 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 L 8.12 4.20 0.00 1.69 1.64 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.89 5.09 0.00 2.57 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 0.00 0.00 0.00 0.00 130 V 8.22 4.28 0.67 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 0.86 0.00 0.00 0.96 0.00 0.00 131 T 8.65 4.64 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 1.03 0.00 0.00 132 V 7.98 4.27 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 0.00 0.00 0.99 0.00 0.00 0.59 0.00 0.00 133 N 9.08 4.83 0.00 2.71 2.64 0.00 0.00 6.68 6.21 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 0.00 134 L 8.29 5.16 0.00 1.74 1.45 1.35 1.06 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 0.00 135 V 8.02 4.29 1.46 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 0.43 0.00 0.00 0.29 0.00 0.00 136 R 8.89 4.01 0.00 1.67 1.73 0.00 3.13 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 137 P 0.00 3.68 0.00 2.09 2.02 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.12 0.00 138 G 7.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.89 4.34 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.31 3.74 0.00 1.89 1.95 0.00 3.25 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 141 V 7.91 3.48 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 0.88 0.00 0.00 0.97 0.00 0.00 142 A 7.74 4.91 1.02 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 0.00 0.00 143 K 8.58 4.42 0.00 1.55 1.73 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.83 1.45 7.81 144 R 7.63 4.34 0.00 1.88 1.91 0.00 3.04 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 1.66 1.71 0.00 145 D 8.15 4.49 0.00 2.67 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 0.00 146 K 7.93 3.85 0.00 1.80 1.72 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.43 7.81 147 A 8.72 3.71 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 0.00 148 S 7.18 4.45 0.00 3.90 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 0.00 149 R 9.57 4.57 0.00 1.90 1.72 0.00 3.12 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 150 S 8.47 4.50 0.00 3.91 3.73 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 0.00 151 I 8.20 4.00 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.13 1.05 0.00 0.00 152 P 0.00 4.38 0.00 2.20 1.99 0.00 3.63 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 153 T 8.70 3.69 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 0.00 154 K 8.01 4.06 0.00 1.79 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.50 7.81 155 H 8.64 4.72 0.00 3.04 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.26 4.22 0.00 2.12 1.88 0.00 3.44 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 157 L 8.18 4.26 0.00 1.53 1.74 0.94 1.06 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 0.00 158 N 8.34 4.95 0.00 3.06 2.71 0.00 0.00 7.10 8.03 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 0.00 159 P 0.00 4.25 0.00 2.14 2.14 0.00 3.61 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 2.15 2.39 0.00 160 A 7.88 3.92 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 0.00 161 D 8.04 4.33 0.00 2.95 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 0.00 162 A 8.41 4.11 1.61 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 0.00 0.00 163 V 7.80 3.11 1.96 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 0.81 0.00 0.00 0.03 0.00 0.00 164 A 8.00 3.89 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 165 F 7.84 4.01 0.00 3.06 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 0.00 166 I 8.30 3.67 1.94 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 1.76 0.85 0.89 0.00 0.00 167 E 8.70 4.17 0.00 1.86 2.22 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 2.28 2.30 0.00 168 S 8.21 4.56 0.00 3.85 3.92 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 0.00 169 T 8.09 4.68 4.25 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 1.33 0.00 0.00 170 Y 7.72 3.25 0.00 3.02 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 0.00 171 D 6.69 4.79 0.00 2.84 2.82 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 0.00 172 V 7.57 4.65 2.05 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 0.85 0.00 0.00 0.90 0.00 0.00 173 E 8.11 4.56 0.00 1.99 2.13 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 2.16 2.21 0.00 174 V 7.94 3.87 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 1.14 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.