NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 N 4.5447 8.4249 119.2107 53.0240 40.8087 174.3568 19 Y 4.4458 7.6783 113.6040 55.2198 40.1012 174.1258 20 S 4.4197 9.3993 119.1803 60.8696 64.3848 173.9038 21 T 5.1021 7.9948 114.6107 61.8291 72.9275 172.7731 22 Y 5.1575 9.2239 121.3974 56.1519 42.0190 174.1563 23 L 5.4345 9.1923 125.7209 53.3880 44.8656 174.8507 24 L 5.3769 9.2038 126.1588 52.9118 44.7988 175.9100 25 D 4.9514 8.9124 123.4170 54.5322 41.9491 174.8305 26 I 4.1123 8.7452 122.7226 62.8068 37.6247 175.8184 27 E 4.2874 8.2715 121.9054 58.2495 30.2978 177.8900 28 G 4.1745 9.1453 111.2362 46.3645 0.0000 173.1326 29 T 4.5220 7.3850 112.9352 63.9562 71.6718 175.9465 30 V 4.2570 8.4205 113.9211 61.8689 33.2688 175.9994 31 C 4.9833 7.9723 116.4459 55.5564 30.9401 171.5744 32 P 4.8167 0.0000 0.0000 62.0675 30.3313 177.3746 33 I 3.7578 8.4850 120.6159 64.0901 37.8270 178.3307 34 S 4.4093 8.1629 114.8614 61.0426 62.6537 175.8816 35 F 4.2591 7.9918 124.7904 61.3369 39.0232 177.2422 36 V 3.2440 7.2717 117.3826 66.0746 31.2095 178.1957 37 K 4.2273 7.8810 116.0381 59.0701 32.4524 178.3498 38 E 4.2244 8.5178 118.1569 58.6832 30.0700 177.2759 39 T 4.4122 7.6998 112.4553 64.8426 71.2675 175.8317 40 L 3.4375 7.5813 122.5178 57.9660 41.8799 178.8780 41 F 4.1801 8.7349 117.8691 60.3055 38.8961 175.7791 42 P 4.4676 0.0000 0.0000 65.1007 31.1052 177.8103 43 Y 3.9943 8.2535 118.1790 60.6966 38.5657 178.1806 44 F 4.2557 8.4836 121.1945 61.5953 39.1179 177.2879 45 T 3.6087 8.4450 109.8729 64.8079 68.3373 176.2606 46 N 4.3363 8.2442 118.6751 55.5692 38.7965 176.9648 47 K 3.9590 7.3588 119.6327 58.0065 32.3053 179.0732 48 V 3.2653 6.8304 118.0751 65.7483 31.0536 176.2716 49 P 4.4659 0.0000 0.0000 64.9086 31.2584 178.4072 50 Q 4.0782 7.8391 116.5829 58.7713 28.8843 178.1890 51 L 3.9545 7.7748 119.9801 58.0492 41.4986 180.1299 52 V 3.7096 7.3829 110.0377 64.0192 31.4171 178.3107 53 Q 4.3069 7.5611 117.8132 57.9265 29.2090 176.5425 54 Q 4.2123 7.7083 121.5187 55.4525 27.3501 174.3777 55 D 4.9272 8.1772 122.4679 52.7410 40.2544 176.6683 56 T 4.0848 8.5357 120.2237 63.8907 69.0634 175.1928 *57 R 3.9970 8.5657 123.9620 58.3149 29.5546 173.3361 58 D 4.8193 8.8017 119.9415 54.2639 38.5805 174.8260 59 S 4.3428 7.7689 116.4607 57.5997 64.5491 173.3279 60 P 4.1463 0.0000 0.0000 65.6880 31.0426 179.2796 61 V 3.0619 7.4134 116.3007 65.9940 31.6016 177.7811 62 S 4.0246 7.9567 112.3195 61.5194 61.7109 175.7065 63 N 4.2911 8.4394 119.5153 56.2074 38.1648 177.5406 64 I 3.9392 7.2648 122.3176 63.9522 37.3906 178.5363 65 L 4.2867 8.1520 120.3439 57.7985 41.4285 179.7474 66 S 4.1795 8.2536 114.2106 61.3075 62.6979 176.2012 67 Q 3.9051 7.7382 120.4971 57.6586 28.1493 177.9985 68 F 4.3277 7.8128 118.0556 58.1666 39.2098 174.8646 69 H 4.0490 8.0467 114.2857 57.0140 26.4767 174.9803 70 I 4.4738 7.7567 119.2854 59.6490 39.2719 175.5879 71 D 4.3979 8.8522 126.1617 57.0414 41.2582 177.6504 72 N 4.3409 8.0297 118.1692 53.6506 39.8443 175.5592 73 K 4.0729 8.8106 130.2798 60.0070 32.2046 179.8726 74 E 3.9861 8.4159 118.8636 61.1798 29.6355 182.1638 75 Q 4.1564 8.1672 118.8688 58.5606 28.7891 178.5921 76 L 3.8004 7.9039 121.4813 57.9377 41.7693 178.6903 77 Q 3.7964 8.0285 119.2456 59.2410 28.9840 178.0639 78 A 3.9539 8.0583 121.7943 55.4354 18.2755 179.0866 79 H 4.0091 8.3887 116.7944 59.4996 29.9958 177.6265 80 I 3.5134 7.6480 121.5816 64.3135 36.8342 178.5028 81 L 4.0507 7.9101 119.9365 57.4975 41.3310 179.1656 82 E 3.8881 8.3535 119.5166 59.1773 29.6377 178.6382 83 L 3.9485 7.9583 119.2288 57.9726 41.7549 179.8676 84 V 3.6617 7.8273 117.5365 66.0892 31.3404 177.9797 85 A 4.0483 8.2600 119.6675 54.5824 18.2942 178.7691 86 K 4.2022 8.2513 114.5427 55.2832 32.9903 176.0586 87 D 4.2272 7.6157 117.4600 55.0154 39.9801 174.2714 88 V 3.8500 8.2374 118.7920 61.3817 31.7590 175.4396 89 K 4.1712 8.6369 127.6709 56.8398 32.3670 176.2088 90 D 4.9566 8.4052 123.2643 51.2059 44.9745 174.3668 91 P 4.3168 0.0000 0.0000 65.8587 31.3998 178.8835 92 I 3.5603 8.1819 120.1531 63.7388 36.9299 177.9421 93 L 4.1642 8.0543 120.7734 58.2954 41.9829 179.0700 94 K 3.8968 8.0657 118.3887 59.3403 31.9075 179.1845 95 Q 3.8979 7.9660 119.8417 58.9067 28.8890 178.0084 96 L 3.9393 8.0368 121.5093 58.2553 42.2096 178.9070 97 Q 2.8303 8.2043 118.3717 58.4167 28.3263 179.0404 98 G 3.7570 7.9132 106.7722 47.9535 0.0000 175.1147 99 Y 3.9813 8.0134 121.9079 60.4114 38.8938 178.2168 100 V 3.7147 8.1305 119.3955 65.8775 31.6391 177.9924 101 W 4.2559 8.4278 118.9176 59.6722 28.8487 178.2336 102 A 4.0748 8.3293 120.8376 55.6034 17.7450 179.2154 103 H 4.0964 8.0689 116.4408 59.1600 29.9220 177.6770 104 G 3.4194 8.0292 107.5337 47.6349 0.0000 175.1485 105 Y 4.2004 7.6539 119.4276 60.9426 37.6437 178.7412 106 E 3.9430 7.6818 118.1293 58.9986 29.6296 178.6918 107 S 4.5450 7.9905 111.7376 57.7733 63.3671 174.4551 108 G 3.9272 7.6775 109.8110 47.0575 0.0000 175.0566 109 Q 4.3205 8.4932 120.8123 56.4852 29.3789 176.1766 110 I 4.6591 7.1306 109.0715 58.8142 40.6416 174.4223 111 K 4.9742 8.3325 119.6073 54.6947 36.1774 175.8032 112 A 3.5463 9.2065 127.8368 50.6850 19.5915 174.8603 113 P 4.4599 0.0000 0.0000 62.7245 32.4587 175.3511 114 V 4.3339 7.8588 124.6240 60.4886 33.7294 175.0016 115 Y 4.1841 8.3995 125.2099 58.0041 38.6167 177.1883 116 A 4.0416 8.9788 125.9764 55.6074 18.4703 179.9454 117 D 4.3002 8.1175 116.6366 56.2859 39.4789 178.5563 118 A 4.2677 7.8577 122.0341 54.9908 18.5272 179.3613 119 I 3.6480 8.1895 118.7545 64.7966 37.1158 178.3673 120 D 4.2989 8.3659 119.8461 57.1888 40.6669 178.7177 121 F 4.0545 8.4107 121.0551 61.4902 39.2801 177.2773 122 I 3.5992 7.9929 118.2890 64.3301 36.9456 178.4045 123 K 3.6211 7.9112 118.5115 58.2505 31.8049 178.6720 124 R 4.2387 7.2004 115.3747 56.6581 30.7869 177.4454 125 K 3.9931 6.8515 117.9336 55.7693 32.6932 177.3495 126 K 4.0121 8.7211 122.5622 58.9875 32.3262 177.3789 127 R 4.6422 7.9114 119.2540 54.4041 33.2972 174.4192 128 V 4.8403 9.2136 124.8832 60.8976 34.2781 174.3562 129 F 5.1344 9.5008 126.1408 55.7092 42.9996 173.9471 130 I 5.1007 8.4985 122.5531 59.8578 40.1770 174.2216 131 Y 5.7001 9.5513 127.1262 56.3384 41.6190 173.9013 132 S 4.8890 9.0099 120.5889 56.4319 66.2556 174.9853 133 S 4.1946 8.8670 117.6660 60.7099 63.2781 175.3792 134 G 3.8291 7.9431 109.3845 44.7727 0.0000 173.9200 135 S 4.5770 8.4995 116.8432 57.8706 64.9607 175.5069 136 V 3.5931 8.5505 122.7092 66.2339 31.0656 178.1899 137 K 3.7764 8.1257 118.3578 59.7040 32.0189 178.3526 138 A 4.1041 7.9509 120.4279 55.1546 18.2086 179.6993 139 Q 4.0197 8.4672 116.8249 59.2927 28.7072 179.1153 140 K 4.1498 7.8331 119.4992 58.5473 32.2649 179.0412 141 L 4.1258 7.7296 120.6131 57.9529 42.0230 178.4825 142 L 3.4605 7.6645 120.2460 58.2451 42.0122 178.7588 143 F 4.5898 8.2876 116.1810 59.0594 38.7413 177.3544 144 G 3.5941 7.6371 104.4211 46.0927 0.0000 173.2624 145 Y 4.8513 7.3509 117.7855 55.5781 38.0931 175.4059 146 V 4.2219 8.5920 121.2938 62.1012 33.5914 176.0166 147 Q 4.2417 8.6993 130.0406 56.2823 29.9381 175.2349 148 D 4.5507 8.6988 126.0892 52.9676 41.6002 175.0634 149 P 4.3207 0.0000 0.0000 65.5349 31.5850 177.6566 150 N 4.4819 8.5833 114.9610 55.8769 39.1442 175.8634 151 A 4.6662 7.7884 119.1108 50.2501 21.0521 174.3344 152 P 4.1991 0.0000 0.0000 65.1018 31.8623 178.0766 153 A 4.1802 7.8141 117.0607 53.5589 18.7752 176.8129 154 H 4.8554 7.6059 113.1549 54.0500 30.7977 174.5040 155 D 4.4617 8.6433 119.4130 55.5574 41.0358 177.0399 156 S 4.6728 8.5400 117.0647 58.2397 65.3497 172.3309 157 L 4.8348 9.1651 120.1415 52.9941 44.5260 175.6073 158 D 5.1905 8.6042 122.1338 53.0772 41.8674 175.9339 159 L 4.7771 9.3913 126.4623 54.9936 42.2199 178.6579 160 N 4.5088 8.5463 117.0273 55.6943 38.6076 177.1225 161 S 3.9949 8.0532 111.2790 60.4121 62.4336 173.8447 162 Y 4.4657 7.8127 115.5241 57.8022 38.7660 175.4178 163 I 3.9920 7.1527 121.2259 60.0670 38.2089 175.5268 164 D 4.2450 8.2329 125.0614 55.5838 41.5410 176.4739 165 G 4.0169 6.2880 103.7422 45.9731 0.0000 171.8600 166 Y 5.3139 7.6093 116.7381 56.0520 42.1088 174.7009 167 F 5.2432 9.7055 122.1146 56.1052 43.5953 174.4227 168 D 5.7695 9.3554 119.2872 51.6007 42.5147 175.7490 169 I 4.3905 8.5220 117.6137 64.7667 37.2751 178.3648 170 N 4.4812 8.2893 116.2271 56.3350 38.6612 176.5879 171 T 4.2211 8.8195 108.4028 63.7807 69.5104 175.6250 172 S 4.3588 8.5297 116.2185 57.3301 65.6847 172.4486 173 G 3.9899 8.3566 107.6441 44.3039 0.0000 173.6443 174 K 4.4357 8.5317 119.4479 54.2991 32.2828 174.1287 175 K 4.4000 8.9128 120.1524 57.7836 32.2732 178.4872 176 T 4.5893 8.1099 109.8074 61.8070 69.3732 174.3963 177 E 4.7628 8.0382 119.5230 54.6121 31.8614 181.9492 178 T 4.3359 8.6118 122.2368 65.3306 68.4472 176.4099 179 Q 3.9871 8.2085 121.0794 59.3389 29.0114 178.4638 180 S 4.5882 7.7157 117.5284 61.3158 62.7188 176.3506 181 Y 3.5338 7.7391 118.6160 60.5956 37.7373 177.9561 182 A 3.9030 7.8282 121.5709 55.1029 18.4521 179.4333 183 N 4.1339 8.1568 115.0948 56.4440 38.5181 177.6744 184 I 2.6973 7.1676 121.0042 64.0231 37.0442 178.4479 185 L 3.7652 7.7977 119.9694 57.8659 41.1689 179.9101 186 R 3.9129 7.5448 116.9224 59.0731 30.0480 178.5337 187 D 4.4888 7.7001 118.0242 57.4877 40.9417 178.5759 188 I 3.5359 7.5571 119.5639 62.0434 37.4646 176.4405 189 G 3.6799 8.1975 106.0072 46.7008 0.0000 172.9425 190 A 4.7074 7.6465 121.6305 50.1380 22.8291 177.2747 191 K 4.2094 8.3316 121.0088 53.7652 33.1144 178.9739 192 A 4.0673 8.8434 126.3472 54.9209 18.3153 180.1408 193 S 4.3095 8.0184 108.1320 60.7455 63.5646 174.6458 194 E 4.4094 8.2619 119.9779 56.4245 29.9060 175.2773 195 V 4.7509 7.7517 120.1041 60.7801 34.5501 173.7879 196 L 4.6683 7.9484 129.3204 53.1091 44.3207 174.4183 197 F 5.5289 9.3927 129.3891 56.7455 41.5341 174.1055 198 L 5.0570 8.4699 125.6869 52.0504 44.3148 175.5202 199 S 4.8697 8.1461 116.7079 57.2863 65.2981 174.2370 200 D 4.5528 8.5425 122.1807 53.9439 39.9354 175.6086 201 N 4.9024 7.9497 119.7225 52.0454 39.8092 173.7151 202 P 4.0790 0.0000 0.0000 65.4614 31.4299 178.6044 203 L 4.3405 8.0785 119.2419 57.2918 41.4619 179.4018 204 E 4.5585 8.0986 119.5302 58.7999 29.5976 179.0903 205 L 4.0620 7.6767 119.0406 57.6120 41.0590 179.0280 206 D 4.5255 8.7677 120.4365 56.7483 40.4220 178.6063 207 A 4.0274 7.7742 120.5138 55.3537 18.4771 179.5787 208 A 3.1807 7.3021 118.7091 54.9633 18.3684 179.7481 209 A 4.2642 8.5981 119.7091 55.1208 18.1803 179.9794 210 G 3.7575 8.1751 103.8854 46.8331 0.0000 174.6805 211 V 4.2032 7.3932 118.6001 61.2395 31.5424 176.4678 212 G 3.8978 8.0368 106.8804 46.2937 0.0000 173.9781 213 I 4.2972 7.4866 119.6802 60.5016 38.0293 175.8378 214 A 4.3834 8.6273 128.7440 52.1958 19.3554 176.4516 215 T 5.0720 8.6636 111.5741 59.8999 71.9095 173.7497 216 G 4.3449 8.6598 109.9236 44.7488 0.0000 171.1738 217 L 4.8406 9.0487 127.8294 53.3483 42.8575 175.4466 218 A 4.6722 8.8743 130.1823 52.0621 19.9810 175.9380 219 S 4.6750 9.1294 117.0002 56.6174 65.3222 173.2466 220 R 4.7268 8.2996 125.1554 53.0643 33.7237 173.1447 221 P 4.3388 0.0000 0.0000 64.8314 31.5656 176.9379 222 G 4.0063 8.9775 111.5238 45.3363 0.0000 173.3145 223 N 4.5845 7.9739 116.9910 52.2474 39.3121 174.3295 224 A 4.1852 8.3112 123.2025 51.3781 18.9977 176.1250 225 P 4.3023 0.0000 0.0000 62.7833 31.8175 176.5274 226 V 3.8023 8.0426 122.5871 63.0921 32.7817 177.0532 *230 Q 4.1738 8.2087 120.9736 55.7227 28.4797 172.7565 231 K 4.0871 7.9938 124.3193 56.5563 33.0382 178.2218 232 Y 4.6488 7.4679 115.9892 56.5623 39.4572 174.1491 233 Q 3.9992 8.5694 123.9233 55.8932 30.1822 174.7550 234 V 4.4544 8.0983 126.8366 62.1710 33.1454 174.5151 235 Y 4.7186 8.6885 124.7731 56.3403 40.1135 176.8670 236 K 4.4165 9.2622 124.0791 57.9000 32.6935 176.1788 237 N 4.5496 7.7239 113.6728 52.1335 39.6723 173.7440 238 F 4.9776 9.2190 114.2765 57.4741 39.1679 178.2241 239 E 4.1050 8.0426 122.4075 59.6571 29.2600 178.7100 240 T 4.1363 7.8827 107.0592 63.5598 69.4413 174.2870 241 L 4.2586 7.5187 126.2962 55.0710 41.6130 176.4989 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 18 N 8.42 4.54 0.00 2.68 2.78 0.00 0.00 6.89 6.66 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 19 Y 7.68 4.45 0.00 2.48 2.69 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 20 S 9.40 4.42 0.00 3.89 3.89 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 21 T 7.99 5.10 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 1.53 0.00 0.00 22 Y 9.22 5.16 0.00 3.03 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 23 L 9.19 5.43 0.00 1.88 1.82 1.10 0.40 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 24 L 9.20 5.38 0.00 1.76 1.68 1.09 0.92 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 25 D 8.91 4.95 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 26 I 8.75 4.11 1.98 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 1.76 0.72 0.93 0.00 0.00 27 E 8.27 4.29 0.00 2.01 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 0.00 2.38 2.37 0.00 28 G 9.15 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 29 T 7.39 4.52 4.66 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 1.45 0.00 0.00 30 V 8.42 4.26 2.31 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 1.03 0.00 0.00 1.27 0.00 0.00 31 C 7.97 4.98 0.00 2.90 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 32 P 0.00 4.82 0.00 2.20 2.13 0.00 3.59 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 33 I 8.49 3.76 1.92 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 1.73 1.50 0.96 0.00 0.00 34 S 8.16 4.41 0.00 4.35 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 0.00 35 F 7.99 4.26 0.00 2.92 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 36 V 7.27 3.24 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 1.05 0.00 0.00 0.95 0.00 0.00 37 K 7.88 4.23 0.00 1.79 1.85 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 38 E 8.52 4.22 0.00 2.09 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 2.37 2.39 0.00 39 T 7.70 4.41 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 1.24 0.00 0.00 40 L 7.58 3.44 0.00 0.61 1.20 -0.16 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.73 4.18 0.00 3.33 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 42 P 0.00 4.47 0.00 2.23 2.18 0.00 4.00 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 2.32 2.11 0.00 43 Y 8.25 3.99 0.00 3.25 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 44 F 8.48 4.26 0.00 3.10 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 45 T 8.44 3.61 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 1.51 0.00 0.00 46 N 8.24 4.34 0.00 2.57 2.80 0.00 0.00 7.07 7.49 0.00 0.00 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 K 7.36 3.96 0.00 1.53 1.63 0.00 1.55 0.00 0.00 1.35 0.00 0.00 2.57 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.98 1.06 7.81 48 V 6.83 3.27 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.21 0.00 0.00 49 P 0.00 4.47 0.00 1.97 2.03 0.00 3.74 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 1.93 1.94 0.00 50 Q 7.84 4.08 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 51 L 7.77 3.95 0.00 1.74 1.68 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.38 3.71 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 0.69 0.00 0.00 0.92 0.00 0.00 53 Q 7.56 4.31 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.23 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 54 Q 7.71 4.21 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.33 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 55 D 8.18 4.93 0.00 2.77 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 56 T 8.54 4.08 4.30 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 1.20 0.00 0.00 *57 R 8.57 4.00 0.00 1.82 1.77 0.00 3.37 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 1.56 1.26 0.00 58 D 8.80 4.82 0.00 2.82 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 59 S 7.77 4.34 0.00 3.85 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 60 P 0.00 4.15 0.00 2.15 2.15 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 61 V 7.41 3.06 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 1.08 0.00 0.00 0.85 0.00 0.00 62 S 7.96 4.02 0.00 4.02 3.99 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 63 N 8.44 4.29 0.00 2.82 2.78 0.00 0.00 7.01 6.99 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 64 I 7.26 3.94 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.09 0.82 0.00 0.00 65 L 8.15 4.29 0.00 1.68 1.80 0.92 1.01 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 66 S 8.25 4.18 0.00 4.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.74 3.91 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 68 F 7.81 4.33 0.00 3.22 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 H 8.05 4.05 0.00 3.36 3.40 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.76 4.47 1.84 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.92 0.00 0.00 71 D 8.85 4.40 0.00 2.66 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 72 N 8.03 4.34 0.00 2.74 2.75 0.00 0.00 7.18 6.16 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 73 K 8.81 4.07 0.00 1.81 1.80 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 74 E 8.42 3.99 0.00 1.99 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 2.24 2.22 0.00 75 Q 8.17 4.16 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 76 L 7.90 3.80 0.00 1.82 1.74 0.64 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.03 3.80 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 78 A 8.06 3.95 1.35 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 0.00 0.00 79 H 8.39 4.01 0.00 3.27 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.65 3.51 1.72 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 0.89 0.34 0.99 0.00 0.00 81 L 7.91 4.05 0.00 1.80 1.70 0.86 0.78 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 82 E 8.35 3.89 0.00 2.14 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 0.00 2.28 2.34 0.00 83 L 7.96 3.95 0.00 1.91 1.75 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.83 3.66 2.35 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 1.27 0.00 0.00 1.28 0.00 0.00 85 A 8.26 4.05 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 86 K 8.25 4.20 0.00 1.79 1.85 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.52 7.81 87 D 7.62 4.23 0.00 2.71 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 88 V 8.24 3.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 89 K 8.64 4.17 0.00 1.94 1.90 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.45 7.81 90 D 8.41 4.96 0.00 2.77 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 91 P 0.00 4.32 0.00 2.26 2.28 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 92 I 8.18 3.56 1.18 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 -0.19 0.00 0.00 93 L 8.05 4.16 0.00 2.01 1.92 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.07 3.90 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.60 7.81 95 Q 7.97 3.90 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 96 L 8.04 3.94 0.00 2.00 1.90 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.20 2.83 0.00 1.39 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 98 G 7.91 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 99 Y 8.01 3.98 0.00 3.20 3.12 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 0.00 100 V 8.13 3.71 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 1.20 0.00 0.00 1.16 0.00 0.00 101 W 8.43 4.26 0.00 3.47 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.33 4.07 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 0.00 103 H 8.07 4.10 0.00 3.02 3.38 0.00 5.79 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 0.00 104 G 8.03 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 0.00 0.00 0.00 105 Y 7.65 4.20 0.00 2.66 1.58 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 E 7.68 3.94 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.14 0.00 107 S 7.99 4.55 0.00 3.95 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 0.00 108 G 7.68 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 0.00 109 Q 8.49 4.32 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 110 I 7.13 4.66 1.49 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.20 0.31 0.00 0.00 111 K 8.33 4.97 0.00 1.58 1.71 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.36 1.53 7.81 112 A 9.21 3.55 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 0.00 113 P 0.00 4.46 0.00 1.77 1.95 0.00 2.20 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 114 V 7.86 4.33 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 1.00 0.00 0.00 0.87 0.00 0.00 115 Y 8.40 4.18 0.00 2.94 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 0.00 116 A 8.98 4.04 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 0.00 117 D 8.12 4.30 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.86 4.27 1.51 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 0.00 119 I 8.19 3.65 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 0.83 0.00 0.00 120 D 8.37 4.30 0.00 2.71 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 0.00 121 F 8.41 4.05 0.00 3.27 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.99 3.60 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.80 0.00 0.00 123 K 7.91 3.62 0.00 1.60 1.56 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 1.00 7.81 124 R 7.20 4.24 0.00 1.81 1.95 0.00 2.98 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.36 0.00 125 K 6.85 3.99 0.00 1.26 1.51 0.00 1.45 0.00 0.00 1.37 0.00 0.00 2.63 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.41 0.21 7.81 126 K 8.72 4.01 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.41 7.81 127 R 7.91 4.64 0.00 1.96 2.05 0.00 3.28 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 128 V 9.21 4.84 1.89 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 0.78 0.00 0.00 0.78 0.00 0.00 129 F 9.50 5.13 0.00 3.11 3.17 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 0.00 130 I 8.50 5.10 2.12 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.66 1.36 0.00 0.00 131 Y 9.55 5.70 0.00 3.02 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 0.00 132 S 9.01 4.89 0.00 4.04 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 0.00 133 S 8.87 4.19 0.00 4.04 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 0.00 134 G 7.94 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 0.00 135 S 8.50 4.58 0.00 4.11 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 0.00 136 V 8.55 3.59 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 0.95 0.00 0.00 1.07 0.00 0.00 137 K 8.13 3.78 0.00 1.96 1.83 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.09 7.81 138 A 7.95 4.10 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 0.00 139 Q 8.47 4.02 0.00 2.41 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 140 K 7.83 4.15 0.00 1.66 1.71 0.00 1.37 0.00 0.00 1.22 0.00 0.00 2.54 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.43 0.41 7.81 141 L 7.73 4.13 0.00 1.89 1.88 1.01 1.13 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 0.00 142 L 7.66 3.46 0.00 1.72 1.54 0.74 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.29 4.59 0.00 3.40 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 0.00 144 G 7.64 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.35 4.85 0.00 2.29 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 0.00 146 V 8.59 4.22 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 0.90 0.00 0.00 0.99 0.00 0.00 147 Q 8.70 4.24 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 148 D 8.70 4.55 0.00 2.83 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 0.00 149 P 0.00 4.32 0.00 2.07 2.09 0.00 3.71 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 2.01 2.09 0.00 150 N 8.58 4.48 0.00 2.79 2.88 0.00 0.00 6.76 7.61 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 0.00 151 A 7.79 4.67 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 0.00 152 P 0.00 4.20 0.00 2.03 2.13 0.00 3.64 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 2.09 0.00 153 A 7.81 4.18 1.26 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 0.00 0.00 154 H 7.61 4.86 0.00 3.33 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.64 4.46 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.54 4.67 0.00 4.05 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 0.00 157 L 9.17 4.83 0.00 1.55 1.59 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.60 5.19 0.00 2.50 2.53 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 0.00 159 L 9.39 4.78 0.00 2.07 1.78 1.04 0.54 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 0.00 160 N 8.55 4.51 0.00 2.92 2.95 0.00 0.00 6.85 6.91 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 0.00 161 S 8.05 3.99 0.00 3.62 3.40 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 0.00 162 Y 7.81 4.47 0.00 2.99 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 0.00 163 I 7.15 3.99 1.47 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.27 -0.04 0.00 0.00 164 D 8.23 4.25 0.00 1.58 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 6.29 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 0.00 0.00 0.00 166 Y 7.61 5.31 0.00 2.82 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 0.00 167 F 9.71 5.24 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 9.36 5.77 0.00 2.90 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 0.00 169 I 8.52 4.39 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.06 0.97 0.00 0.00 170 N 8.29 4.48 0.00 2.77 2.93 0.00 0.00 6.92 7.54 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 0.00 171 T 8.82 4.22 4.41 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 1.38 0.00 0.00 172 S 8.53 4.36 0.00 3.84 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 0.00 173 G 8.36 3.99 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 0.00 0.00 0.00 174 K 8.53 4.44 0.00 1.70 1.70 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.03 7.81 175 K 8.91 4.40 0.00 1.81 1.90 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.54 1.14 7.81 176 T 8.11 4.59 4.32 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 0.00 0.00 0.00 1.29 0.00 0.00 177 E 8.04 4.76 0.00 1.94 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 2.15 2.12 0.00 178 T 8.61 4.34 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 1.28 0.00 0.00 179 Q 8.21 3.99 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 180 S 7.72 4.59 0.00 3.62 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 0.00 181 Y 7.74 3.53 0.00 3.08 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 0.00 182 A 7.83 3.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 N 8.16 4.13 0.00 2.65 2.72 0.00 0.00 7.03 7.67 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 0.00 184 I 7.17 2.70 1.31 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 -0.30 -0.18 0.05 0.00 0.00 185 L 7.80 3.77 0.00 1.71 1.61 0.86 1.12 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 0.00 186 R 7.54 3.91 0.00 1.84 1.93 0.00 3.11 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 187 D 7.70 4.49 0.00 2.73 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 I 7.56 3.54 1.55 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.04 0.65 0.00 0.00 189 G 8.20 3.68 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 0.00 0.00 0.00 190 A 7.65 4.71 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 0.00 191 K 8.33 4.21 0.00 1.70 1.69 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.00 7.81 192 A 8.84 4.07 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 0.00 193 S 8.02 4.31 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 0.00 194 E 8.26 4.41 0.00 2.15 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 2.29 2.37 0.00 195 V 7.75 4.75 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 0.90 0.00 0.00 0.94 0.00 0.00 196 L 7.95 4.67 0.00 0.27 0.82 0.68 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 197 F 9.39 5.53 0.00 2.98 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 0.00 198 L 8.47 5.06 0.00 1.38 1.34 -0.25 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 199 S 8.15 4.87 0.00 3.12 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 0.00 200 D 8.54 4.55 0.00 2.83 3.09 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 0.00 201 N 7.95 4.90 0.00 2.82 2.76 0.00 0.00 7.03 7.72 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 0.00 202 P 0.00 4.08 0.00 2.30 2.23 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 203 L 8.08 4.34 0.00 1.88 1.78 0.96 0.95 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 0.00 204 E 8.10 4.56 0.00 2.34 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.37 0.00 205 L 7.68 4.06 0.00 1.26 1.18 0.08 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 206 D 8.77 4.53 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 A 7.77 4.03 1.47 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 0.00 0.00 208 A 7.30 3.18 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 0.00 209 A 8.60 4.26 1.48 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 0.00 0.00 210 G 8.18 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 0.00 211 V 7.39 4.20 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 0.91 0.00 0.00 212 G 8.04 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 0.00 213 I 7.49 4.30 1.84 0.00 0.00 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 1.23 0.53 0.97 0.00 0.00 214 A 8.63 4.38 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 0.00 215 T 8.66 5.07 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 1.31 0.00 0.00 216 G 8.66 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 L 9.05 4.84 0.00 1.69 1.58 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 218 A 8.87 4.67 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 0.00 219 S 9.13 4.67 0.00 3.84 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 0.00 220 R 8.30 4.73 0.00 1.81 1.62 0.00 2.21 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 221 P 0.00 4.34 0.00 2.09 2.05 0.00 3.53 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 222 G 8.98 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 0.00 223 N 7.97 4.58 0.00 2.95 2.76 0.00 0.00 6.72 7.38 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 0.00 224 A 8.31 4.19 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 0.00 225 P 0.00 4.30 0.00 2.19 2.07 0.00 3.77 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 0.00 226 V 8.04 3.80 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 0.78 0.00 0.00 0.93 0.00 0.00 *230 Q 8.21 4.17 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.85 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 231 K 7.99 4.09 0.00 1.77 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.02 7.81 232 Y 7.47 4.65 0.00 3.03 2.84 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 0.00 233 Q 8.57 4.00 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 1.85 2.11 0.00 234 V 8.10 4.45 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 235 Y 8.69 4.72 0.00 3.06 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 0.00 236 K 9.26 4.42 0.00 1.71 1.78 0.00 1.80 0.00 0.00 2.41 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.34 7.81 237 N 7.72 4.55 0.00 2.74 2.56 0.00 0.00 5.92 7.43 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 0.00 238 F 9.22 4.98 0.00 2.82 2.35 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 0.00 239 E 8.04 4.10 0.00 2.15 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 2.37 2.34 0.00 240 T 7.88 4.14 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 241 L 7.52 4.26 0.00 1.88 1.69 0.06 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.