NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5283 8.1627 120.3614 55.9792 34.4016 177.3237 2 M 3.9539 8.1180 117.5928 57.9359 32.3058 176.1002 3 D 4.3475 8.3890 117.9582 57.4727 41.8049 177.0676 4 Y 4.1331 7.9341 119.5483 60.7988 38.8623 177.7946 5 L 3.7590 8.3682 120.2549 57.5285 41.4234 179.6775 6 I 3.9441 7.8052 119.4771 64.7318 37.2547 178.4012 7 T 4.1236 8.1797 109.3069 63.7444 68.7308 175.1647 8 Q 4.3223 7.6329 118.8654 54.7081 29.4403 175.4474 9 N 4.0971 7.9477 113.9818 54.2553 36.2566 174.6209 10 G 3.9801 8.8258 100.1953 45.1818 0.0000 174.8235 11 G 3.8963 7.8611 110.8695 47.2714 0.0000 175.5419 12 M 3.9872 8.1900 120.2788 59.1300 32.0543 178.4749 13 V 3.5072 7.5264 111.6887 64.3685 31.5704 178.5848 14 F 4.4290 7.8100 117.2611 60.3575 38.7988 177.7161 15 A 4.1571 8.1356 120.1229 54.9506 18.1813 179.7406 16 V 3.4879 8.0215 117.0210 66.1102 31.6777 177.9354 17 L 4.0006 8.0755 119.8780 58.0505 41.7926 178.6985 18 A 4.1827 8.4689 122.4032 54.9784 18.3923 179.4667 19 M 3.9878 8.0693 116.8331 58.4152 32.0051 178.8038 20 A 3.9918 8.1637 121.0405 55.3388 18.3482 179.5572 21 T 4.0222 8.4993 108.3568 65.1622 68.7266 176.0729 22 A 4.1152 8.2579 124.3418 54.9708 18.3996 179.7473 23 T 3.9151 7.9629 113.8852 67.0361 68.5912 176.7848 24 I 3.5204 8.0369 121.9589 64.6899 37.2253 178.6670 25 F 4.2170 7.8898 118.0981 60.2815 38.7146 178.1696 26 S 4.3023 7.8881 113.8024 61.4152 62.8663 176.7780 27 G 3.6191 8.2848 109.5590 47.4314 0.0000 175.7538 28 I 3.7691 8.2737 122.6563 63.9697 37.1098 178.5690 29 G 3.6713 7.9271 106.2657 48.1099 0.0000 175.8570 30 S 4.6317 8.3648 119.2513 60.6324 62.7888 176.6954 31 A 3.9460 8.2603 123.7169 55.0729 18.0763 179.9286 32 K 4.0172 8.3901 117.3258 59.3766 32.1666 179.9366 33 G 3.5205 8.2019 105.9861 47.9234 0.0000 175.9069 34 V 3.9647 7.9520 123.4631 64.7259 31.4985 178.1986 35 G 3.5957 8.1869 105.5528 48.1366 0.0000 175.2028 36 M 4.1932 8.4380 121.8783 58.6235 32.2273 178.5158 37 T 4.0740 8.1863 115.9213 66.3406 68.4929 177.0246 38 G 3.6989 8.4934 108.2757 47.7888 0.0000 175.6087 39 E 3.9671 8.3509 120.6204 59.1580 29.5351 179.3325 40 A 3.9735 7.9353 120.1217 55.0681 18.4637 179.4949 41 A 3.9555 8.4944 119.5381 55.2876 18.3232 179.7244 42 A 3.9793 8.4356 119.4079 55.2384 18.2303 179.7177 43 A 3.9552 7.7879 118.3097 55.1754 18.7516 179.2509 44 L 4.0630 8.0643 118.8349 58.7267 40.6597 179.4018 45 T 4.2109 8.0368 115.5350 66.3315 68.0813 176.6101 46 T 4.1610 7.6438 111.5400 63.7518 68.7599 175.1364 47 S 4.6193 7.5275 112.9289 58.4838 65.7465 174.3555 48 Q 4.8658 8.6399 118.7805 52.4057 28.6046 174.3132 49 P 4.4804 0.0000 0.0000 64.7001 31.9204 179.1672 50 E 4.0563 8.2415 117.2562 58.6473 29.8282 177.9511 51 K 4.5274 8.0166 119.1080 56.4840 32.5335 178.1286 52 F 4.3180 8.3050 123.8972 61.5219 39.3125 177.2223 53 G 3.5268 8.1792 104.6122 48.1626 0.0000 175.4301 54 Q 3.9741 7.9764 120.0475 58.2718 28.7869 178.5295 55 A 3.9352 7.9076 121.9948 54.9454 18.5472 179.3796 56 L 3.7059 7.8923 119.2537 58.2019 41.8392 179.1835 57 I 3.6186 7.1771 118.1624 64.4653 37.1895 177.9592 58 L 4.0980 7.8377 119.6823 57.9548 41.0720 179.4207 59 Q 3.9452 8.0765 119.3457 58.9811 28.9851 177.8928 60 L 4.2442 7.7062 118.4561 56.0084 41.5890 178.9339 61 L 3.9503 7.3105 119.0673 57.6097 41.8701 176.8631 62 P 5.2523 0.0000 0.0000 62.5854 30.7748 177.9464 63 G 3.8282 8.0981 107.3938 46.3008 0.0000 176.3489 64 T 3.7929 7.7551 111.6642 64.0578 69.0787 176.4171 65 Q 4.3145 8.3263 121.0124 59.4391 28.8049 179.5021 66 G 3.7418 8.5336 106.4999 47.8032 0.0000 175.6756 67 L 3.9926 7.1384 120.6502 57.7887 41.5993 178.9285 68 Y 4.2167 7.8765 117.0716 61.0936 37.7677 179.0601 69 G 4.2872 8.3657 107.8812 47.3797 0.0000 175.4419 70 F 4.1825 8.4887 123.3114 60.9951 39.3261 177.3294 71 V 3.7383 8.3753 117.9912 66.1110 31.3865 177.9990 72 I 3.8124 8.3901 119.3780 64.4794 37.0405 178.1017 73 A 4.0062 8.2291 121.6176 55.3718 18.1656 179.5283 74 F 3.9763 8.2964 119.1113 61.1322 39.1807 177.1947 75 L 3.9670 8.0809 119.6837 58.0441 42.1299 178.7585 76 I 3.6372 7.8864 119.9562 63.9921 36.7365 177.9660 77 F 3.9180 7.9284 122.2185 61.1733 39.1625 176.8851 78 I 3.5227 7.2054 111.0224 62.3000 37.5208 176.0208 79 N 4.8043 7.6139 118.0883 52.9258 38.6121 174.7753 80 L 4.5315 7.1794 116.8861 55.4056 41.0733 178.2031 81 G 3.8380 7.6672 109.4890 44.8634 0.0000 173.1311 82 S 4.6363 7.3454 115.6164 57.5004 65.8095 174.1173 83 D 4.8828 8.3482 113.0389 52.8626 39.3284 175.9414 84 M 4.0618 8.0537 118.4428 56.6904 33.2747 176.2722 85 S 4.4595 8.4880 120.8468 57.9046 65.5846 175.4056 86 V 3.7663 8.2727 121.8485 66.0649 31.2471 178.2331 87 V 3.4989 7.7784 117.5732 66.2055 31.4037 177.6721 88 Q 3.9417 7.9834 119.0516 59.0139 28.8571 178.3733 89 G 3.9127 8.3539 106.8581 48.0180 0.0000 175.7692 90 L 3.9925 8.4348 121.9187 57.3057 41.5208 179.2865 91 N 4.2817 8.3290 116.8178 56.3022 38.5384 177.4302 92 F 4.2700 8.1902 119.2193 60.2795 38.7519 177.4972 93 L 4.1763 7.9440 119.3063 58.2370 42.1488 178.8698 94 G 3.7989 8.5454 105.8741 47.9000 0.0000 175.3751 95 A 4.0728 8.2207 123.4022 54.8671 18.4829 179.6717 96 S 4.2864 8.1249 112.0157 60.8328 63.2714 176.7508 97 L 4.1899 7.7947 123.4389 57.3431 41.3866 177.2589 98 P 4.3641 0.0000 0.0000 65.9226 31.3613 178.5102 99 I 3.8708 7.9203 116.7803 63.6977 37.8733 177.5029 100 A 3.9513 7.9824 121.5870 55.2695 18.3183 179.2330 101 F 4.6430 8.2963 115.2459 59.5093 39.2725 178.6764 102 T 4.2579 8.2883 110.0247 64.5496 68.5840 176.8347 103 G 3.7900 8.3312 108.6524 47.6005 0.0000 175.2537 104 L 3.9818 7.9247 123.1795 57.9662 42.1082 179.1569 105 F 4.2383 8.2920 117.4273 60.4937 38.9019 178.1042 106 S 4.3789 8.7256 114.3199 61.2394 62.8377 176.7728 107 G 3.6593 8.2039 109.3692 47.7005 0.0000 175.7831 108 I 3.7292 7.6746 121.7845 64.0746 37.0420 178.4605 109 A 4.0672 8.3062 121.7882 55.2140 18.2993 179.5031 110 Q 4.0670 8.7326 118.7444 59.1342 29.0992 178.3175 111 G 3.8022 8.2188 106.8693 48.0507 0.0000 175.7165 112 K 4.0387 7.8155 120.2172 59.0798 32.0701 179.7192 113 V 3.5892 7.6515 118.3950 65.9621 31.2878 177.9595 114 A 4.0344 8.4083 119.4353 55.1226 18.3777 179.0975 115 A 4.0762 8.5259 119.5285 55.3209 18.3305 179.7620 116 A 4.0859 8.3245 119.3535 55.1180 18.3855 180.1010 117 G 3.6437 8.2072 104.4164 47.8305 0.0000 175.9384 118 I 3.7761 7.4993 122.2971 64.5770 37.0863 178.4455 119 Q 4.0226 7.9853 118.9818 58.7432 28.4180 178.7782 120 I 3.7451 7.7476 120.6002 64.3287 37.0352 177.9071 121 L 3.9111 7.7874 119.7016 58.1117 41.9128 178.6445 122 A 4.1373 8.0255 120.0271 54.7179 18.4213 179.0099 123 K 4.3277 7.9698 115.1161 57.2111 34.5745 177.6180 124 K 4.7123 8.4579 117.5790 53.5234 32.6647 174.9198 125 P 4.4971 0.0000 0.0000 65.6795 31.6616 179.2214 126 E 4.0486 8.1818 115.1753 58.4220 29.8395 176.9386 127 H 4.7896 8.5605 116.8329 55.5971 29.3504 176.1864 128 A 4.0330 7.8861 124.8981 55.7296 17.9349 180.5638 129 T 3.8015 7.9513 113.6761 66.8192 68.4766 176.5030 130 K 3.7180 8.0703 120.4556 59.3557 32.1102 179.5439 131 G 3.7546 7.9458 105.4475 47.7471 0.0000 175.8109 132 I 3.7147 7.6478 121.6327 64.2133 36.9833 178.3737 133 I 3.6227 7.4815 119.1898 64.3655 36.9751 177.9660 134 F 4.6378 7.7858 118.3122 60.9462 38.6816 177.7649 135 A 4.0851 8.1808 119.7157 55.0899 17.9757 179.5178 136 A 4.0611 8.2248 118.5049 55.2246 18.4493 179.4269 137 M 4.2186 7.6750 116.5420 57.7304 32.5723 177.4605 138 V 4.0830 7.6600 120.4760 63.2287 31.6211 177.8386 *140 T 4.0722 7.9778 117.1590 63.6704 70.5123 176.3913 141 Y 4.2011 7.2464 118.2187 60.2908 37.8799 177.9411 142 A 4.1152 8.0455 121.8329 54.9393 18.5473 179.4307 143 I 3.1951 7.5491 117.8158 64.4515 37.2876 178.3299 144 L 4.0791 7.9666 119.7722 57.8184 41.4175 179.8455 145 G 3.8094 8.0921 106.8685 47.1596 0.0000 175.3341 146 F 4.2380 8.6605 123.6345 61.0593 39.3123 177.3355 147 V 3.3706 8.1869 118.1278 66.0476 31.3220 178.0513 148 I 3.7065 7.8319 119.4605 64.4601 36.8546 178.5551 149 S 4.3953 8.2214 117.4626 60.9063 62.7928 176.4238 150 F 3.7504 8.4743 123.4890 61.3520 38.6036 177.1717 151 L 4.0757 8.1965 118.5910 57.9216 41.1953 179.6173 152 L 4.0060 7.8797 117.9360 57.3672 41.6892 179.3985 153 V 3.7555 7.9876 118.7029 66.0714 31.3202 178.2032 154 L 3.9523 7.4874 116.7175 56.6768 41.4278 177.9139 155 N 4.7059 7.1543 113.5937 53.0023 39.2130 174.2490 156 A 3.8262 7.2604 127.5290 52.7685 18.2824 177.6313 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 M 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.12 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.39 4.35 0.00 2.80 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 4 Y 7.93 4.13 0.00 3.10 3.16 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 5 L 8.37 3.76 0.00 1.93 1.73 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.81 3.94 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.55 0.92 0.00 0.00 7 T 8.18 4.12 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 1.22 0.00 0.00 8 Q 7.63 4.32 0.00 1.56 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 9 N 7.95 4.10 0.00 2.87 2.91 0.00 0.00 6.90 7.80 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 10 G 8.83 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 11 G 7.86 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 12 M 8.19 3.99 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 13 V 7.53 3.51 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 0.75 0.00 0.00 0.16 0.00 0.00 14 F 7.81 4.43 0.00 3.31 3.18 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 15 A 8.14 4.16 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.02 3.49 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 0.99 0.00 0.00 0.99 0.00 0.00 17 L 8.08 4.00 0.00 2.03 2.03 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.47 4.18 1.57 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 0.00 0.00 19 M 8.07 3.99 0.00 2.09 2.27 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 2.71 2.74 0.00 20 A 8.16 3.99 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 21 T 8.50 4.02 4.47 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 1.51 0.00 0.00 22 A 8.26 4.12 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.96 3.92 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 1.30 0.00 0.00 24 I 8.04 3.52 1.43 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 1.35 0.51 0.17 0.00 0.00 25 F 7.89 4.22 0.00 2.82 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 26 S 7.89 4.30 0.00 4.38 4.22 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 27 G 8.28 3.62 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 0.00 0.00 0.00 28 I 8.27 3.77 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 0.88 0.00 0.00 29 G 7.93 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.36 4.63 0.00 3.88 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 31 A 8.26 3.95 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 32 K 8.39 4.02 0.00 2.01 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.57 7.81 33 G 8.20 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.95 3.96 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 1.18 0.00 0.00 0.93 0.00 0.00 35 G 8.19 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 36 M 8.44 4.19 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.19 4.07 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 1.22 0.00 0.00 38 G 8.49 3.70 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 0.00 0.00 0.00 39 E 8.35 3.97 0.00 2.25 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 2.53 0.00 40 A 7.94 3.97 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 41 A 8.49 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.44 3.98 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 43 A 7.79 3.96 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 44 L 8.06 4.06 0.00 1.80 1.88 0.94 0.66 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 45 T 8.04 4.21 4.43 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 1.24 0.00 0.00 46 T 7.64 4.16 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 1.25 0.00 0.00 47 S 7.53 4.62 0.00 3.95 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 48 Q 8.64 4.87 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 49 P 0.00 4.48 0.00 2.19 2.40 0.00 3.77 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 2.07 1.94 0.00 50 E 8.24 4.06 0.00 2.16 2.27 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 2.39 2.30 0.00 51 K 8.02 4.53 0.00 2.03 1.86 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.39 7.81 52 F 8.31 4.32 0.00 3.17 3.10 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 53 G 8.18 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.98 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.91 3.94 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 56 L 7.89 3.71 0.00 1.01 1.38 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.18 3.62 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.86 0.00 0.00 58 L 7.84 4.10 0.00 1.84 1.72 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.08 3.95 0.00 2.19 2.20 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 2.33 2.57 0.00 60 L 7.71 4.24 0.00 1.84 1.63 0.85 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 61 L 7.31 3.95 0.00 1.80 1.75 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.25 0.00 2.19 2.07 0.00 4.07 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 63 G 8.10 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 64 T 7.76 3.79 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 65 Q 8.33 4.31 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.81 2.69 0.00 66 G 8.53 3.74 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 0.00 67 L 7.14 3.99 0.00 1.51 1.50 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.88 4.22 0.00 3.23 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 0.00 69 G 8.37 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 70 F 8.49 4.18 0.00 3.23 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.38 3.74 2.59 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 1.52 0.00 0.00 1.14 0.00 0.00 72 I 8.39 3.81 2.21 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 2.16 1.11 1.01 0.00 0.00 73 A 8.23 4.01 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 74 F 8.30 3.98 0.00 2.77 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.08 3.97 0.00 1.88 1.89 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.89 3.64 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 1.51 0.57 0.37 0.00 0.00 77 F 7.93 3.92 0.00 2.97 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 78 I 7.21 3.52 1.69 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 0.61 0.45 0.00 0.00 79 N 7.61 4.80 0.00 2.87 2.95 0.00 0.00 6.73 7.99 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 80 L 7.18 4.53 0.00 1.45 1.30 0.63 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.67 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 0.00 0.00 0.00 82 S 7.35 4.64 0.00 3.92 3.79 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 83 D 8.35 4.88 0.00 2.73 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 84 M 8.05 4.06 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.65 0.00 85 S 8.49 4.46 0.00 4.10 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 86 V 8.27 3.77 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 1.03 0.00 0.00 1.11 0.00 0.00 87 V 7.78 3.50 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 1.00 0.00 0.00 0.90 0.00 0.00 88 Q 7.98 3.94 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 89 G 8.35 3.91 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 0.00 0.00 0.00 90 L 8.43 3.99 0.00 1.67 1.57 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.33 4.28 0.00 2.68 2.61 0.00 0.00 6.94 7.79 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 92 F 8.19 4.27 0.00 3.40 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 93 L 7.94 4.18 0.00 1.91 1.95 1.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.55 3.80 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 0.00 0.00 0.00 95 A 8.22 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.12 4.29 0.00 4.28 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 0.00 97 L 7.79 4.19 0.00 1.78 1.98 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.35 2.18 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 7.92 3.87 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.43 1.09 0.00 0.00 100 A 7.98 3.95 1.15 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 0.00 0.00 101 F 8.30 4.64 0.00 3.27 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 0.00 102 T 8.29 4.26 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 103 G 8.33 3.79 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 0.00 104 L 7.92 3.98 0.00 2.04 1.84 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.29 4.24 0.00 3.33 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 0.00 106 S 8.73 4.38 0.00 4.37 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.20 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.67 3.73 2.03 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 1.44 0.97 0.95 0.00 0.00 109 A 8.31 4.07 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 0.00 110 Q 8.73 4.07 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 111 G 8.22 3.80 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 0.00 0.00 0.00 112 K 7.82 4.04 0.00 2.02 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 113 V 7.65 3.59 2.26 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 1.11 0.00 0.00 1.00 0.00 0.00 114 A 8.41 4.03 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 0.00 115 A 8.53 4.08 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 0.00 116 A 8.32 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.21 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 0.00 118 I 7.50 3.78 2.06 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 1.73 0.85 0.98 0.00 0.00 119 Q 7.99 4.02 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 120 I 7.75 3.75 2.08 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 1.61 0.89 1.01 0.00 0.00 121 L 7.79 3.91 0.00 1.65 1.87 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.03 4.14 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 0.00 123 K 7.97 4.33 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.62 7.81 124 K 8.46 4.71 0.00 1.75 1.81 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.50 7.81 125 P 0.00 4.50 0.00 2.21 2.42 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.18 4.05 0.00 2.01 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 0.00 1.97 2.15 0.00 127 H 8.56 4.79 0.00 3.28 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.89 4.03 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 0.00 129 T 7.95 3.80 4.19 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 1.16 0.00 0.00 130 K 8.07 3.72 0.00 1.91 1.56 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.42 7.81 131 G 7.95 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 0.00 132 I 7.65 3.71 2.01 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 1.61 0.67 0.88 0.00 0.00 133 I 7.48 3.62 1.69 0.00 0.00 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 1.44 0.46 0.80 0.00 0.00 134 F 7.79 4.64 0.00 3.30 3.02 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 0.00 135 A 8.18 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.22 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.68 4.22 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.02 0.00 138 V 7.66 4.08 2.18 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 1.13 0.00 0.00 1.03 0.00 0.00 *140 T 7.98 4.07 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 141 Y 7.25 4.20 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.05 4.12 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 0.00 143 I 7.55 3.20 1.88 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 1.53 0.78 0.83 0.00 0.00 144 L 7.97 4.08 0.00 1.75 1.76 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.09 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.66 4.24 0.00 2.81 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 0.00 147 V 8.19 3.37 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 1.02 0.00 0.00 0.96 0.00 0.00 148 I 7.83 3.71 1.90 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 1.73 0.85 0.93 0.00 0.00 149 S 8.22 4.40 0.00 4.12 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 0.00 150 F 8.47 3.75 0.00 2.57 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 0.00 151 L 8.20 4.08 0.00 1.89 1.72 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.88 4.01 0.00 1.67 1.68 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.99 3.76 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 1.11 0.00 0.00 1.02 0.00 0.00 154 L 7.49 3.95 0.00 1.75 1.65 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.15 4.71 0.00 2.73 2.75 0.00 0.00 7.16 7.84 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 0.00 156 A 7.26 3.83 0.19 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 * Residues marked with a * may have inaccurate shift predictions.