NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.2741 0.0000 0.0000 62.7457 33.8266 173.8685 6 D 4.0367 8.1474 131.3738 55.7152 43.2321 175.7236 7 A 4.3713 9.4496 114.7406 51.7897 20.9420 177.7238 8 G 3.8952 7.9994 105.6064 46.2978 0.0000 173.1571 9 Y 4.7112 7.2064 116.7286 57.3004 39.1254 175.0138 10 Y 4.7292 9.2942 122.8296 60.0151 39.0800 175.5660 11 Y 5.0978 7.7037 115.3449 56.1627 42.0076 174.5062 12 H 5.2102 8.9957 121.0887 55.8034 31.4790 171.0377 13 D 4.4408 10.0002 125.7057 53.3506 41.2325 177.3508 14 T 4.1231 8.1987 120.4665 63.4339 69.2160 176.2358 15 F 4.3779 7.5084 115.9852 58.8658 36.0363 175.9684 16 E 4.2374 7.8551 122.0941 54.8462 27.3957 176.5354 17 G 3.9338 9.6676 106.6446 44.6803 0.0000 170.8829 18 S 4.5833 7.3586 109.3067 57.5659 65.1655 177.5802 19 V 4.2805 8.3702 120.5382 62.2149 32.7459 177.4711 20 G 4.0968 7.5731 107.5200 47.0183 0.0000 174.5297 21 Q 4.3961 8.6208 124.5436 55.4551 28.8905 175.4344 22 W 4.6702 8.1320 119.7979 57.1070 29.7420 175.6190 23 T 4.9377 9.5169 113.7377 59.6958 72.5439 172.7056 24 A 4.6364 8.6010 123.1523 51.7993 19.6709 176.8982 25 R 4.2200 9.0790 121.9954 56.0259 31.9200 176.8824 26 G 4.0808 8.8136 115.9769 44.1229 0.0000 171.4191 27 P 4.4811 0.0000 0.0000 63.0212 31.5122 176.3771 28 A 4.3462 6.9044 120.4534 51.9044 19.2766 176.4581 29 E 4.6820 9.0001 116.2138 55.0224 33.4682 175.2538 30 V 5.0372 8.1172 118.2183 59.7079 35.1593 174.6519 31 L 4.5344 8.3888 122.4281 54.6080 44.0166 174.2192 32 L 4.6985 8.5218 120.2696 55.1546 42.5465 176.5485 33 S 4.6790 9.5366 116.8521 56.6473 66.2095 174.3756 34 G 4.1180 8.6758 112.7569 45.3694 0.0000 174.2523 35 R 3.9814 7.9540 121.7296 59.0824 30.2468 176.2521 36 T 4.5534 7.1300 108.8345 61.1631 70.2291 171.8109 37 A 4.6612 8.2966 124.8567 51.9123 21.7384 175.7763 38 Y 3.6697 8.7016 122.0159 58.4733 39.3419 176.2448 39 K 4.3484 7.3101 116.0416 55.0262 36.6768 177.9985 40 G 3.7528 8.4863 108.9231 46.4207 0.0000 174.1754 41 S 4.6582 8.6201 114.5210 57.9058 63.9221 173.0283 42 E 5.1253 8.0405 120.0033 55.1655 33.4660 174.3035 43 S 4.6812 9.2422 114.9151 57.5901 67.4761 172.3910 44 L 4.5630 8.3945 122.5781 53.6094 42.9547 175.1409 45 L 4.3983 9.1126 129.5109 54.1741 44.0295 175.3867 46 V 4.6038 8.0939 125.5473 61.1236 34.1579 174.4984 47 R 4.6483 8.3775 124.4002 55.6007 33.0119 175.3652 48 N 4.2227 8.7613 114.5643 54.3660 36.1279 174.2520 49 R 4.1012 7.7942 117.1158 56.5639 30.5354 176.5551 50 T 4.4209 8.5364 110.6236 60.9932 69.7150 173.5451 51 A 4.4258 7.0530 123.1901 50.8555 21.5223 177.4608 52 A 4.4810 8.8790 123.3891 54.2941 18.5938 180.0416 53 W 4.7298 7.7607 110.7473 58.1444 28.6026 176.5184 54 N 4.3507 7.1835 116.9160 52.9131 39.3271 175.8157 55 G 4.1978 7.6810 108.3766 46.4802 0.0000 171.6928 56 A 5.5404 8.4101 124.4193 50.2548 22.0446 175.9328 57 Q 5.3031 9.9092 118.9144 54.6966 33.1517 174.0193 58 R 4.4315 8.5630 119.4880 54.0572 33.1781 174.4486 59 A 3.4938 8.6340 129.3581 51.9844 19.0104 176.1546 60 L 4.4553 7.6974 121.5182 52.6123 43.7175 175.8742 61 N 4.5256 8.7540 122.6495 52.1994 39.1059 173.8382 62 P 4.5047 0.0000 0.0000 64.8871 31.5977 177.8797 63 R 4.0389 8.7372 118.4766 58.7823 30.2088 177.5634 64 T 3.9004 7.6147 112.6885 64.2749 69.2354 174.9076 65 F 3.6882 8.2272 122.3947 54.9278 38.2109 173.9477 66 V 4.0461 9.3147 125.1968 61.7337 32.1826 174.2781 67 P 4.6404 0.0000 0.0000 63.8335 31.7984 176.3835 68 G 4.0944 9.3906 110.9262 45.6761 0.0000 173.9507 69 N 4.6938 7.9946 116.5085 52.8882 40.4679 174.2986 70 T 4.9787 7.8801 117.0504 62.5078 70.6386 173.5710 71 Y 4.9560 9.2291 122.2932 56.8401 43.5738 173.0968 72 C 5.2218 9.4438 121.2015 57.9338 34.0530 172.4768 73 F 5.3244 9.2963 123.8494 55.9860 42.9176 173.8326 74 S 5.4798 9.2685 116.5341 57.4214 66.2491 172.9730 75 V 4.9672 9.0306 123.1401 61.7905 35.0571 171.8599 76 V 4.8837 8.1730 121.0929 60.0206 34.0935 174.4011 77 A 5.4913 8.9589 124.2185 50.8900 23.1656 174.6358 78 S 4.8712 8.5080 112.7993 57.6548 66.8432 173.1319 79 F 5.4578 8.3695 113.9805 55.9400 41.0014 174.9842 80 I 4.1077 8.8674 119.1771 62.1062 39.1161 175.2260 81 E 4.7443 8.2536 115.3031 54.9905 32.4406 174.6247 82 G 4.0088 10.1959 106.1583 45.5219 0.0000 173.0120 83 A 4.5839 7.4876 119.9831 51.2768 21.9305 175.9133 84 S 4.5998 8.3734 113.2931 59.4231 63.9873 173.9817 85 S 5.0154 7.4640 113.1371 58.4308 65.2528 174.0260 86 T 4.3916 8.8343 115.0801 61.1078 71.7011 172.3140 87 T 4.7369 7.8056 119.2613 61.4112 71.0254 173.7307 88 F 4.5470 8.7722 126.6840 57.7913 39.8722 175.2107 89 C 5.3064 8.6689 120.5014 57.1020 32.3938 172.8672 *91 K 4.1223 8.4258 117.6469 56.9649 33.8712 174.4094 92 L 5.1207 8.6131 123.3737 53.6227 43.9127 174.5940 93 Q 5.3707 10.1282 129.3988 55.0337 30.6886 173.9415 94 Y 5.1620 8.2514 122.8790 56.6185 42.5872 173.0462 95 V 4.6025 8.8198 119.7450 61.2302 33.8764 175.6383 96 D 5.0758 8.6554 128.3670 52.1543 41.2640 176.9738 97 G 3.7608 9.2786 107.9466 47.6365 0.0000 174.4873 98 S 4.4285 8.3131 113.1152 57.8631 63.5917 174.8724 99 G 3.8620 8.1859 109.1887 46.0902 0.0000 173.0140 100 T 4.4791 8.0057 116.9036 61.2232 70.5884 173.9305 101 Q 4.1632 8.6128 128.2235 56.2989 29.6874 175.3326 102 R 4.1160 8.3599 125.2878 54.2118 34.1364 174.4754 103 Y 5.2117 8.0566 117.0431 56.5588 41.2573 174.4216 104 D 5.1274 9.4605 124.4587 52.6472 44.7216 174.9382 105 T 4.5237 8.5941 122.0646 62.9851 69.3726 174.6797 106 I 3.7855 8.1534 127.6132 63.4189 37.6178 174.8087 107 D 4.3732 7.2823 116.6276 53.4063 43.8508 173.1051 *109 K 4.3710 8.2616 117.7274 56.5700 33.6663 175.1535 110 T 5.1495 8.4632 114.1297 60.3257 70.7409 174.0725 111 V 4.5070 8.7292 122.9581 60.8723 35.3378 174.7331 112 G 3.9374 8.3697 110.9668 44.0134 0.0000 171.6282 113 P 3.1704 0.0000 0.0000 62.4310 31.9422 175.3761 114 N 3.8718 8.0308 114.9868 53.8177 36.5618 174.9267 115 Q 4.3929 7.3735 117.4381 54.3234 32.0915 174.1273 116 W 4.6519 8.9893 127.4535 56.6723 29.9266 175.9588 117 V 4.5179 9.2976 124.1884 60.0909 34.2081 174.4117 118 H 4.9711 8.7969 123.2490 55.2036 30.3725 174.5596 119 L 4.5896 9.4308 128.8462 54.3975 42.4706 175.7457 120 Y 5.3192 9.4801 125.4070 56.4524 42.4856 173.8353 121 N 4.6357 9.4186 125.7909 51.5344 41.5551 172.9895 122 P 4.3597 0.0000 0.0000 64.5465 32.4620 175.6483 123 Q 4.7866 8.1931 117.3229 54.2333 28.1425 173.6859 124 Y 4.6597 9.2863 122.2981 55.9706 41.2718 174.6393 125 R 4.6284 7.7976 127.3592 55.0255 31.4548 175.5630 126 I 3.9521 8.6433 128.3748 60.1994 38.4363 173.7783 127 P 4.4917 0.0000 0.0000 63.0637 31.6688 177.7242 128 S 4.2363 8.8735 118.0910 60.4727 63.3040 174.4745 129 D 4.7123 7.8964 118.8456 52.8032 39.5329 176.1008 130 A 4.5513 7.4211 123.2619 52.5506 19.0127 177.3311 131 T 4.5254 8.4425 110.8090 59.8034 72.2412 171.9740 132 D 4.1577 8.4748 118.0453 55.0192 38.7959 171.0448 *134 Y 4.6510 7.8597 121.8609 57.5946 39.9747 174.4417 135 V 4.5325 8.2876 123.9845 60.7878 33.3217 174.6917 136 Y 5.7278 9.4157 122.9903 55.3944 41.7947 174.4570 137 V 4.8715 9.6161 120.2194 61.3784 34.6559 174.3606 138 E 5.3603 9.2409 124.6691 55.5243 33.5414 173.6586 139 T 4.5495 7.6897 109.0668 59.8359 70.8284 174.5020 140 A 4.0795 8.5846 125.4313 54.2404 18.8841 178.6041 141 D 4.6032 7.2173 112.7809 52.1612 41.8330 172.3129 142 D 4.5744 7.7436 120.3964 53.2890 42.8995 175.9140 143 T 4.8613 7.9332 107.8238 60.9445 69.1307 174.5517 144 I 3.8673 7.5622 114.9585 61.6572 38.2456 175.2607 145 N 4.7230 8.4402 119.8033 53.6257 39.1986 174.1308 146 F 5.1997 8.4509 116.7527 55.8868 42.5248 172.4986 147 Y 5.3491 9.7535 116.4320 56.1409 41.5204 175.0888 148 I 5.2977 8.8271 115.9477 59.5795 41.5941 173.6195 149 D 4.9041 8.9115 121.4863 52.8661 44.9976 174.1445 150 E 4.0140 8.7454 118.5602 57.3782 27.0359 174.9183 151 A 4.9204 8.3688 120.7418 51.7555 20.3177 178.2655 152 I 4.8186 8.9248 123.4231 58.1850 41.7301 174.7401 153 G 3.8544 7.1514 112.0991 44.3761 0.0000 171.7911 154 A 5.1214 8.9014 126.4223 50.5810 23.3796 174.9951 155 V 4.2347 8.0025 116.2482 62.5698 32.7327 176.4157 156 A 4.2307 8.5375 128.8864 54.1414 18.5720 178.0614 157 G 4.0346 9.3030 110.8173 45.3461 0.0000 174.2455 158 T 3.7612 7.3773 109.0656 62.3263 68.7021 173.4914 159 V 4.1351 8.4479 126.0625 62.0991 32.2259 175.6341 160 I 4.1371 8.0513 127.4658 61.4977 37.5484 175.2570 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 5 P 0.00 4.27 0.00 2.01 1.76 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.42 0.00 6 D 8.15 4.04 0.00 2.91 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 0.00 0.00 0.00 7 A 9.45 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.00 3.90 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 0.00 0.00 0.00 9 Y 7.21 4.71 0.00 2.87 2.95 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 10 Y 9.29 4.73 0.00 3.00 2.93 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 11 Y 7.70 5.10 0.00 3.16 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 12 H 9.00 5.21 0.00 3.26 3.36 0.00 5.74 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 13 D 10.00 4.44 0.00 2.76 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 14 T 8.20 4.12 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 1.17 0.00 0.00 15 F 7.51 4.38 0.00 3.32 3.28 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 16 E 7.86 4.24 0.00 1.96 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 0.00 2.31 2.24 0.00 17 G 9.67 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 18 S 7.36 4.58 0.00 3.84 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 19 V 8.37 4.28 2.38 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 0.92 0.00 0.00 1.06 0.00 0.00 20 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 21 Q 8.62 4.40 0.00 1.71 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 22 W 8.13 4.67 0.00 3.75 3.36 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 23 T 9.52 4.94 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 1.31 0.00 0.00 24 A 8.60 4.64 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 25 R 9.08 4.22 0.00 1.90 1.88 0.00 2.75 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 26 G 8.81 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 27 P 0.00 4.48 0.00 2.12 2.13 0.00 3.46 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 1.90 1.86 0.00 28 A 6.90 4.35 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 29 E 9.00 4.68 0.00 1.92 1.65 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 2.15 2.25 0.00 30 V 8.12 5.04 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 0.75 0.00 0.00 1.02 0.00 0.00 31 L 8.39 4.53 0.00 1.74 1.72 0.91 0.37 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 32 L 8.52 4.70 0.00 1.60 1.72 1.05 1.00 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 33 S 9.54 4.68 0.00 3.94 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 34 G 8.68 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 35 R 7.95 3.98 0.00 1.84 1.94 0.00 3.34 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 36 T 7.13 4.55 3.94 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 0.25 0.00 0.00 37 A 8.30 4.66 1.31 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 0.00 0.00 38 Y 8.70 3.67 0.00 1.43 2.30 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 39 K 7.31 4.35 0.00 1.59 1.51 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.98 0.69 7.81 40 G 8.49 3.75 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 0.00 0.00 0.00 41 S 8.62 4.66 0.00 3.96 4.06 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 42 E 8.04 5.13 0.00 1.97 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 2.27 2.48 0.00 43 S 9.24 4.68 0.00 4.17 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 0.00 44 L 8.39 4.56 0.00 0.27 0.64 0.84 0.25 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 45 L 9.11 4.40 0.00 1.74 1.61 0.40 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.09 4.60 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 0.40 0.00 0.00 0.37 0.00 0.00 47 R 8.38 4.65 0.00 1.72 1.82 0.00 2.90 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 48 N 8.76 4.22 0.00 2.95 2.84 0.00 0.00 6.87 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 49 R 7.79 4.10 0.00 1.85 1.69 0.00 3.02 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 50 T 8.54 4.42 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 1.12 0.00 0.00 51 A 7.05 4.43 0.88 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 52 A 8.88 4.48 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 53 W 7.76 4.73 0.00 3.40 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 54 N 7.18 4.35 0.00 2.50 2.53 0.00 0.00 6.80 6.98 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 55 G 7.68 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 56 A 8.41 5.54 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 57 Q 9.91 5.30 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 58 R 8.56 4.43 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.73 0.00 59 A 8.63 3.49 0.81 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 60 L 7.70 4.46 0.00 1.48 1.43 0.57 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.75 4.53 0.00 2.72 2.74 0.00 0.00 6.96 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 62 P 0.00 4.50 0.00 2.21 2.18 0.00 3.40 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 63 R 8.74 4.04 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 64 T 7.61 3.90 3.77 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 0.01 0.00 0.00 65 F 8.23 3.69 0.00 3.01 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 66 V 9.31 4.05 2.44 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 1.00 0.00 0.00 1.02 0.00 0.00 67 P 0.00 4.64 0.00 2.18 2.07 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 68 G 9.39 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 69 N 7.99 4.69 0.00 3.14 2.32 0.00 0.00 6.74 6.39 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 70 T 7.88 4.98 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 1.22 0.00 0.00 71 Y 9.23 4.96 0.00 2.97 2.95 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 72 C 9.44 5.22 0.00 3.04 2.96 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 73 F 9.30 5.32 0.00 3.00 2.96 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 74 S 9.27 5.48 0.00 4.06 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 75 V 9.03 4.97 2.19 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 0.69 0.00 0.00 0.89 0.00 0.00 76 V 8.17 4.88 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 0.14 0.00 0.00 0.63 0.00 0.00 77 A 8.96 5.49 0.31 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 0.00 0.00 78 S 8.51 4.87 0.00 3.18 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 79 F 8.37 5.46 0.00 3.31 3.34 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 80 I 8.87 4.11 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.57 0.91 0.00 0.00 81 E 8.25 4.74 0.00 2.08 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 2.26 2.30 0.00 82 G 10.20 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 83 A 7.49 4.58 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 84 S 8.37 4.60 0.00 4.02 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 85 S 7.46 5.02 0.00 4.01 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 86 T 8.83 4.39 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 0.24 0.00 0.00 87 T 7.81 4.74 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 1.17 0.00 0.00 88 F 8.77 4.55 0.00 3.05 2.85 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 89 C 8.67 5.31 0.00 2.78 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 *91 K 8.43 4.12 0.00 0.79 1.47 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.10 7.81 92 L 8.61 5.12 0.00 1.53 1.66 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 10.13 5.37 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.40 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 94 Y 8.25 5.16 0.00 3.22 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 95 V 8.82 4.60 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 0.94 0.00 0.00 0.92 0.00 0.00 96 D 8.66 5.08 0.00 3.38 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 97 G 9.28 3.76 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 0.00 0.00 0.00 98 S 8.31 4.43 0.00 3.98 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 99 G 8.19 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 0.00 0.00 0.00 100 T 8.01 4.48 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 1.12 0.00 0.00 101 Q 8.61 4.16 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.81 0.00 0.00 0.00 0.00 0.00 1.75 2.28 0.00 102 R 8.36 4.12 0.00 0.67 1.38 0.00 3.17 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.36 0.00 103 Y 8.06 5.21 0.00 2.91 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 0.00 104 D 9.46 5.13 0.00 3.03 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 0.00 105 T 8.59 4.52 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 1.20 0.00 0.00 106 I 8.15 3.79 1.59 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.73 0.00 0.00 107 D 7.28 4.37 0.00 2.72 2.51 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 *109 K 8.26 4.37 0.00 1.87 1.84 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.46 7.81 110 T 8.46 5.15 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 1.20 0.00 0.00 111 V 8.73 4.51 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 1.12 0.00 0.00 0.99 0.00 0.00 112 G 8.37 3.94 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 0.00 113 P 0.00 3.17 0.00 1.79 1.64 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 114 N 8.03 3.87 0.00 2.66 2.73 0.00 0.00 6.64 7.59 0.00 0.00 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 Q 7.37 4.39 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.65 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 116 W 8.99 4.65 0.00 3.25 2.85 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 0.00 117 V 9.30 4.52 2.20 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 0.86 0.00 0.00 1.02 0.00 0.00 118 H 8.80 4.97 0.00 3.06 3.26 0.00 5.74 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 9.43 4.59 0.00 1.75 1.64 0.89 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 9.48 5.32 0.00 2.37 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 N 9.42 4.64 0.00 2.84 2.71 0.00 0.00 6.65 7.25 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 0.00 122 P 0.00 4.36 0.00 2.18 2.08 0.00 3.37 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 123 Q 8.19 4.79 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 124 Y 9.29 4.66 0.00 3.23 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 0.00 125 R 7.80 4.63 0.00 1.69 1.56 0.00 3.20 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 1.42 1.65 0.00 126 I 8.64 3.95 2.01 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.17 0.88 0.00 0.00 127 P 0.00 4.49 0.00 1.52 1.89 0.00 3.29 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 128 S 8.87 4.24 0.00 3.96 3.97 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 0.00 129 D 7.90 4.71 0.00 2.84 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 0.00 130 A 7.42 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.44 4.53 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 0.00 132 D 8.47 4.16 0.00 2.91 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 *134 Y 7.86 4.65 0.00 3.08 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 0.00 135 V 8.29 4.53 1.69 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 0.78 0.00 0.00 0.92 0.00 0.00 136 Y 9.42 5.73 0.00 3.21 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 0.00 137 V 9.62 4.87 2.36 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 1.05 0.00 0.00 1.05 0.00 0.00 138 E 9.24 5.36 0.00 2.38 2.33 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 2.29 2.29 0.00 139 T 7.69 4.55 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 0.49 0.00 0.00 140 A 8.58 4.08 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 0.00 141 D 7.22 4.60 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 7.74 4.57 0.00 2.61 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 0.00 143 T 7.93 4.86 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 1.11 0.00 0.00 144 I 7.56 3.87 1.81 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.72 0.00 0.00 145 N 8.44 4.72 0.00 2.58 2.56 0.00 0.00 6.72 7.45 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 0.00 146 F 8.45 5.20 0.00 3.51 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 0.00 147 Y 9.75 5.35 0.00 2.87 3.03 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 0.00 148 I 8.83 5.30 1.76 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.82 1.00 0.00 0.00 149 D 8.91 4.90 0.00 2.53 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 0.00 0.00 0.00 0.00 150 E 8.75 4.01 0.00 2.17 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 2.38 2.39 0.00 151 A 8.37 4.92 1.55 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 0.00 152 I 8.92 4.82 1.63 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.78 0.12 0.00 0.00 153 G 7.15 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 0.00 0.00 0.00 154 A 8.90 5.12 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 0.00 155 V 8.00 4.23 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 0.89 0.00 0.00 0.81 0.00 0.00 156 A 8.54 4.23 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 0.00 157 G 9.30 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 0.00 0.00 0.00 158 T 7.38 3.76 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 1.29 0.00 0.00 159 V 8.45 4.14 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 0.88 0.00 0.00 1.05 0.00 0.00 160 I 8.05 4.14 1.53 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.76 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.