NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6861 8.4201 119.2044 53.5472 41.6375 176.5979 0 A 3.9673 8.0936 122.2889 51.7341 17.9084 177.0366 2 K 3.9831 9.1473 114.9024 57.4636 31.8673 173.4327 3 K 4.0525 8.3283 129.8821 57.6760 32.8634 176.7009 4 G 3.8595 8.9117 107.3528 44.5041 0.0000 172.8691 5 T 4.4206 8.1721 106.4838 60.9287 69.9378 174.3153 6 V 4.0030 7.6120 122.4664 61.9660 30.3232 174.6299 7 L 4.3260 8.0915 126.5821 55.8065 42.7903 177.9605 8 N 4.4682 7.9576 117.8113 53.2298 40.4366 175.5448 9 S 4.1325 8.6020 122.9899 61.7300 63.2956 176.6077 10 E 3.9597 8.0701 121.9396 58.9678 29.2696 179.1604 11 I 3.7039 7.6834 119.3700 64.4786 37.2776 178.4337 12 S 4.1008 8.1358 115.9355 61.5754 62.4364 176.7477 13 S 4.0629 7.9768 114.8139 61.4616 62.6315 176.3420 14 V 3.7791 8.1548 122.2734 64.8672 31.0358 178.3747 15 I 3.7681 8.0518 120.8667 63.9873 36.7137 178.2352 16 S 4.2877 7.9356 113.6011 60.3586 63.1070 175.6840 17 R 4.2918 7.4901 119.8589 55.7185 30.6716 176.6222 18 L 4.0957 7.2916 120.0816 54.5438 42.3560 176.4634 19 G 4.1886 8.9457 111.3350 43.0863 0.0000 171.6796 20 H 4.4836 8.6271 118.8394 57.9379 29.8971 175.5423 21 T 3.4932 8.9113 116.0814 61.7167 68.9953 171.9888 22 D 4.6526 7.7731 122.8830 54.9929 42.1408 175.5680 23 T 5.1284 8.4462 110.9458 59.8886 72.5889 172.4383 24 L 5.0621 8.8052 124.2085 53.3938 45.7805 174.9978 25 V 4.8510 8.7064 125.8349 61.1897 34.0948 174.2108 26 V 4.9331 8.6409 127.8245 61.3456 33.7196 174.1473 27 C 5.5503 9.1267 122.0729 56.4816 33.7154 172.7649 28 D 5.2971 8.1382 119.0161 51.8923 41.1134 177.3093 29 A 4.0416 9.0666 121.5335 54.2959 18.2669 178.5336 30 G 3.9787 7.9538 102.7840 44.9376 0.0000 173.6900 31 L 4.1768 7.5720 122.9526 53.8990 42.6763 174.8754 32 P 4.4660 0.0000 0.0000 62.5917 32.1273 175.6297 33 I 4.4367 7.9852 120.8795 58.8022 39.0377 174.0896 34 P 4.4572 0.0000 0.0000 62.3847 31.7605 177.0603 35 N 4.6189 8.5697 117.7425 54.2237 37.7160 175.8964 36 S 4.3990 7.9195 112.6551 59.3429 63.4909 173.5273 37 T 4.6135 7.3941 114.7994 59.9629 70.4839 172.9500 38 A 4.2366 8.0412 127.2561 51.9075 19.8621 176.4755 39 R 4.6569 8.5399 121.5608 54.7934 31.9563 175.4827 40 I 4.3736 8.7748 128.7197 59.8186 38.9829 174.4878 41 D 4.9368 8.5614 126.4394 52.7035 43.1345 175.4255 *43 A 4.0294 8.2943 123.8334 52.3264 19.0993 175.7580 44 L 4.2418 8.8208 124.7291 56.7049 43.1233 175.9370 45 T 4.4322 7.3264 109.9226 60.6512 70.1858 171.8265 46 Q 4.0095 8.6197 122.0790 57.7481 28.6837 177.8655 47 G 3.8871 9.3537 111.0286 45.5186 0.0000 173.0261 48 V 4.4664 7.9834 120.2463 60.1831 34.4066 173.3592 49 P 5.0072 0.0000 0.0000 62.2853 33.1940 175.9343 50 S 4.6114 9.1303 116.0244 57.3332 64.8101 175.1748 51 F 4.2307 9.1156 119.6043 59.6291 39.1676 176.8403 *53 Q 4.2082 8.1494 119.8489 55.6114 30.6653 177.8557 54 V 3.4828 7.5917 116.5301 65.8349 31.5344 178.1185 55 V 3.3603 7.4239 118.0324 65.9479 31.0362 177.3642 56 D 4.2280 7.7525 115.6685 57.3991 41.5567 177.9146 57 V 3.6956 7.6547 118.6221 65.9445 31.6719 177.9347 58 V 3.5994 7.9648 118.4734 66.2497 31.1882 177.5209 59 T 4.2504 7.7904 106.0892 63.0953 68.9678 176.3167 60 R 4.0990 7.7697 121.0007 58.1715 30.6077 176.6456 61 E 4.4873 7.7977 118.2074 55.7765 30.0859 176.4029 *63 Q 4.1084 7.8473 117.1622 55.9121 30.7281 175.2583 64 V 4.9320 8.4897 124.4576 61.2237 32.7052 174.9085 65 E 4.6647 9.2426 125.0433 56.6870 31.7341 175.1825 66 A 4.7712 7.5838 120.1163 51.1396 22.9750 174.7842 67 A 5.1676 9.1719 120.7230 50.3267 23.0765 175.3073 68 I 4.9796 8.9679 122.1427 59.5363 40.5366 174.8833 69 L 5.3057 8.7556 124.7817 52.5436 46.5845 175.8252 70 A 4.5958 8.1558 123.5957 52.1062 19.3697 178.8614 71 T 3.8413 9.0243 120.3261 67.0532 68.5167 176.7260 72 E 3.7154 7.8263 119.4860 58.9910 29.2305 179.0009 73 I 3.7265 7.4746 118.8014 63.5288 37.7041 177.9863 74 K 3.7125 7.4028 118.4493 59.5503 31.9949 178.7095 75 Q 4.1927 7.8173 115.6341 57.6990 29.2130 177.2469 76 Q 4.4737 7.8104 116.5767 55.8658 30.7210 175.5427 77 N 5.0402 8.1970 119.4441 50.7189 39.6350 173.4884 78 P 4.2977 0.0000 0.0000 66.0659 31.8516 178.1943 79 Q 3.9890 8.0461 117.3916 58.8434 28.7037 178.4674 80 L 3.9774 7.9809 120.7912 58.1170 42.1901 177.8673 81 H 4.1615 8.3864 118.5209 59.7237 29.7762 176.8156 82 E 3.9135 8.3494 120.6373 59.3673 29.4233 178.7857 83 T 3.9444 7.9738 116.0909 66.3368 68.3818 176.4435 84 L 4.0934 8.2327 122.4445 58.1320 42.2061 178.9135 85 L 4.0303 8.1226 119.0460 58.1109 41.5344 179.6576 86 T 3.8772 8.0039 115.6636 66.8215 68.3071 176.1762 87 H 4.1780 8.2716 120.0882 59.4137 29.9807 177.3694 88 L 3.9029 8.3463 121.1212 57.5762 41.2244 179.1881 89 E 3.9251 8.2406 119.5016 59.4026 29.5719 178.9568 90 Q 3.8888 8.1129 118.1703 58.5509 28.6746 178.3508 91 L 3.9325 8.1203 122.0193 58.1846 42.1917 179.0168 92 Q 4.2614 7.9632 118.9013 58.7988 28.1500 178.6555 93 Q 3.9318 7.5180 119.1273 59.2155 28.8984 178.1914 94 H 4.3927 7.9085 115.6651 58.9725 28.7717 177.5500 95 Q 4.2349 8.4535 119.3362 56.4205 28.6341 176.8520 96 G 3.8860 8.2159 107.5232 46.0314 0.0000 172.5829 97 N 4.9418 7.7460 117.0421 51.0832 40.2190 171.9740 98 T 4.7726 8.2256 112.0035 60.5371 69.2704 173.6649 99 I 4.2413 8.7637 131.1639 60.8746 37.9623 175.9766 100 K 4.3096 8.6772 127.3332 55.9333 33.3084 175.9336 101 I 4.9927 8.3490 125.7316 59.5715 39.3208 174.9972 102 S 4.7388 8.6843 119.8857 56.8328 67.1148 172.2189 103 Y 5.3668 8.5422 117.2087 56.5410 41.1206 174.9251 104 T 4.9706 8.9427 113.0236 59.5178 73.1542 173.4690 105 T 4.2522 8.4026 111.2874 61.6177 69.6064 174.7771 106 H 4.1401 8.6730 122.6987 59.4363 29.6369 177.1959 107 E 3.9356 8.2966 120.6875 59.5952 29.4294 178.5867 108 Q 4.0060 8.0620 119.2513 58.7494 29.0757 177.5797 109 F 3.9528 8.5367 122.2413 61.3350 39.2483 177.1350 110 K 3.9829 8.1939 116.6209 59.5553 32.2380 179.0456 111 K 4.0811 7.8474 118.4842 59.5849 31.9986 179.3953 112 L 3.9626 8.0108 119.3681 57.8192 41.5694 179.6465 113 T 3.7444 7.6467 109.5005 64.4074 68.3278 176.2660 114 A 4.0716 7.6485 122.6042 54.2324 18.4177 178.1128 115 D 4.6999 7.6956 115.4642 53.3497 41.6500 176.8130 116 S 5.0155 6.9217 113.8530 57.1013 64.3792 174.4711 117 Q 4.0841 9.0237 120.2394 58.7812 28.9308 176.0666 118 A 4.8991 7.4268 116.5068 50.9825 22.9120 175.2714 119 V 4.6748 8.7356 120.0279 61.2430 34.2209 174.6026 120 I 4.6704 9.1859 130.2532 60.0602 38.4796 174.8311 121 R 4.6793 8.9814 129.8231 55.5128 30.6503 176.2792 122 S 4.6501 8.8482 121.9726 56.9239 65.6242 174.0544 123 G 4.0197 9.0298 105.4750 46.2384 0.0000 173.3419 124 E 4.4545 8.2373 122.7700 56.7248 30.2239 177.1965 125 C 4.5931 8.7317 122.7564 59.5201 29.8034 174.1873 126 S 4.3451 7.6958 114.0963 57.0664 63.4432 171.9134 127 P 4.0734 0.0000 0.0000 63.5492 31.6072 175.9252 128 Y 3.4693 7.6744 117.9332 59.1778 35.6848 171.3142 129 A 3.9406 7.4068 120.6789 50.7689 16.5932 177.1188 130 N 5.7423 7.5222 117.0432 50.8056 43.2186 175.6657 131 V 5.0136 9.5126 122.3359 60.2084 35.5462 174.3427 132 I 4.7093 8.9244 124.4227 60.0939 38.8186 174.4933 133 L 4.9833 9.1014 128.3423 53.5925 43.6278 175.3690 134 C 5.0871 8.9701 121.7415 57.8455 30.6099 173.0482 135 A 4.6473 8.9879 126.5176 52.0058 19.0631 176.6238 136 G 4.3991 8.1794 107.0748 46.6170 0.0000 173.1399 137 V 4.7011 8.2701 113.5300 59.2144 35.7726 175.7630 138 T 4.0244 8.2123 117.9419 63.4824 69.0947 175.1525 139 F 4.7692 8.5118 122.2947 58.0378 39.0643 175.6757 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 N 8.42 4.69 0.00 2.70 2.91 0.00 0.00 6.97 7.08 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 A 8.09 3.97 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 2 K 9.15 3.98 0.00 1.81 2.13 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.33 4.05 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.91 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 5 T 8.17 4.42 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 1.21 0.00 0.00 6 V 7.61 4.00 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 0.83 0.00 0.00 0.98 0.00 0.00 7 L 8.09 4.33 0.00 1.67 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.96 4.47 0.00 2.82 2.68 0.00 0.00 6.99 7.63 0.00 0.00 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 S 8.60 4.13 0.00 4.08 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 10 E 8.07 3.96 0.00 2.00 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 2.40 2.34 0.00 11 I 7.68 3.70 1.86 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 1.63 0.57 0.90 0.00 0.00 12 S 8.14 4.10 0.00 4.03 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 13 S 7.98 4.06 0.00 3.90 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 14 V 8.15 3.78 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 0.79 0.00 0.00 0.93 0.00 0.00 15 I 8.05 3.77 1.87 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 1.58 1.36 0.91 0.00 0.00 16 S 7.94 4.29 0.00 4.05 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 0.00 17 R 7.49 4.29 0.00 1.94 2.01 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 18 L 7.29 4.10 0.00 1.72 1.61 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.95 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 0.00 0.00 0.00 0.00 20 H 8.63 4.48 0.00 3.19 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.91 3.49 4.16 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 0.89 0.00 0.00 22 D 7.77 4.65 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 5.13 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 1.21 0.00 0.00 24 L 8.81 5.06 0.00 1.72 1.49 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.71 4.85 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 1.08 0.00 0.00 0.88 0.00 0.00 26 V 8.64 4.93 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 0.87 0.00 0.00 0.86 0.00 0.00 27 C 9.13 5.55 0.00 3.12 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 28 D 8.14 5.30 0.00 2.89 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 29 A 9.07 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 30 G 7.95 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 0.00 0.00 0.00 31 L 7.57 4.18 0.00 1.66 1.66 1.18 1.10 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 32 P 0.00 4.47 0.00 2.25 2.06 0.00 3.84 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 2.04 2.03 0.00 33 I 7.99 4.44 1.89 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 1.45 0.87 0.93 0.00 0.00 34 P 0.00 4.46 0.00 2.17 1.96 0.00 3.59 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 35 N 8.57 4.62 0.00 2.81 2.94 0.00 0.00 6.12 7.64 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 36 S 7.92 4.40 0.00 3.99 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 37 T 7.39 4.61 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 1.29 0.00 0.00 38 A 8.04 4.24 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 39 R 8.54 4.66 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 I 8.77 4.37 1.88 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 1.12 0.54 0.91 0.00 0.00 41 D 8.56 4.94 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 A 8.29 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 44 L 8.82 4.24 0.00 1.59 1.83 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.33 4.43 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 1.21 0.00 0.00 46 Q 8.62 4.01 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 47 G 9.35 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 0.00 0.00 0.00 48 V 7.98 4.47 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 1.07 0.00 0.00 0.99 0.00 0.00 49 P 0.00 5.01 0.00 2.15 2.15 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 50 S 9.13 4.61 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 51 F 9.12 4.23 0.00 3.12 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 *53 Q 8.15 4.21 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 54 V 7.59 3.48 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 1.01 0.00 0.00 0.91 0.00 0.00 55 V 7.42 3.36 1.72 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 0.87 0.00 0.00 0.13 0.00 0.00 56 D 7.75 4.23 0.00 2.51 2.74 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 57 V 7.65 3.70 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 58 V 7.96 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.90 0.00 0.00 59 T 7.79 4.25 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 1.31 0.00 0.00 60 R 7.77 4.10 0.00 2.00 2.03 0.00 3.13 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 61 E 7.80 4.49 0.00 1.98 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 2.25 2.24 0.00 *63 Q 7.85 4.11 0.00 2.02 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 64 V 8.49 4.93 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 0.90 0.00 0.00 0.93 0.00 0.00 65 E 9.24 4.66 0.00 2.02 2.15 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 2.20 2.22 0.00 66 A 7.58 4.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.17 5.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.97 4.98 1.90 0.00 0.00 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 1.20 0.70 0.99 0.00 0.00 69 L 8.76 5.31 0.00 1.36 1.57 1.01 1.02 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 70 A 8.16 4.60 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.02 3.84 4.16 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 1.09 0.00 0.00 72 E 7.83 3.72 0.00 1.16 1.12 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 1.78 2.08 0.00 73 I 7.47 3.73 1.82 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 1.50 1.32 0.93 0.00 0.00 74 K 7.40 3.71 0.00 1.66 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 83 T 7.97 3.94 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 1.26 0.00 0.00 84 L 8.23 4.09 0.00 2.04 1.95 1.13 0.74 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 85 L 8.12 4.03 0.00 1.84 1.70 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.00 3.88 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 1.23 0.00 0.00 87 H 8.27 4.18 0.00 3.35 3.51 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 88 L 8.35 3.90 0.00 1.85 1.70 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.24 3.93 0.00 2.15 2.15 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 2.28 2.34 0.00 90 Q 8.11 3.89 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 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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 1.34 0.63 0.90 0.00 0.00 100 K 8.68 4.31 0.00 1.73 1.71 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.40 7.81 101 I 8.35 4.99 1.85 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 1.37 0.40 0.55 0.00 0.00 102 S 8.68 4.74 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.54 5.37 0.00 2.84 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 0.00 104 T 8.94 4.97 4.31 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 1.26 0.00 0.00 105 T 8.40 4.25 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 1.22 0.00 0.00 106 H 8.67 4.14 0.00 3.31 3.39 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.30 3.94 0.00 2.16 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 0.00 2.41 2.47 0.00 108 Q 8.06 4.01 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 109 F 8.54 3.95 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.19 3.98 0.00 1.94 1.90 0.00 1.85 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.57 7.81 111 K 7.85 4.08 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 112 L 8.01 3.96 0.00 1.57 1.53 0.86 0.46 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 0.00 113 T 7.65 3.74 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 0.97 0.00 0.00 114 A 7.65 4.07 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 D 7.70 4.70 0.00 2.72 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 0.00 116 S 6.92 5.02 0.00 4.11 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 0.00 117 Q 9.02 4.08 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 118 A 7.43 4.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.74 4.67 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 1.12 0.00 0.00 0.94 0.00 0.00 120 I 9.19 4.67 1.87 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 1.11 0.48 0.91 0.00 0.00 121 R 8.98 4.68 0.00 1.81 1.86 0.00 3.27 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 122 S 8.85 4.65 0.00 4.09 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 9.03 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 0.00 124 E 8.24 4.45 0.00 2.37 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 0.00 2.28 2.40 0.00 125 C 8.73 4.59 0.00 2.96 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 0.00 126 S 7.70 4.35 0.00 3.92 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 0.00 127 P 0.00 4.07 0.00 2.09 1.79 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 128 Y 7.67 3.47 0.00 3.05 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 0.00 129 A 7.41 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.52 5.74 0.00 2.17 2.93 0.00 0.00 6.99 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 9.51 5.01 2.42 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 0.94 0.00 0.00 1.11 0.00 0.00 132 I 8.92 4.71 1.82 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.28 0.83 0.00 0.00 133 L 9.10 4.98 0.00 1.66 1.58 0.91 0.78 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 0.00 134 C 8.97 5.09 0.00 2.83 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 0.00 135 A 8.99 4.65 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 0.00 136 G 8.18 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 0.00 0.00 0.00 0.00 137 V 8.27 4.70 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 0.81 0.00 0.00 1.05 0.00 0.00 138 T 8.21 4.02 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 1.21 0.00 0.00 139 F 8.51 4.77 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.