NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2094 8.3444 119.6961 55.8120 30.0640 174.6753 2 V 4.1295 8.2189 121.8521 61.4486 31.2974 173.9807 3 Q 4.2837 8.4055 129.9217 55.1344 32.9713 174.4817 *5 V 4.1586 8.2538 120.2055 63.9166 32.6190 175.3876 6 E 5.5928 8.5546 126.8735 55.0246 32.9792 175.3235 7 S 4.5267 9.1010 115.0672 58.4473 66.4193 175.6689 8 G 4.5849 8.7014 107.0318 46.2665 0.0000 174.3667 9 G 3.8233 7.9191 108.1732 44.1751 0.0000 171.8700 10 G 3.6856 7.2513 105.0055 44.5955 0.0000 172.3824 11 L 5.1433 8.1150 122.4803 53.9612 43.5580 176.9017 12 V 4.4682 8.0868 119.9769 60.5427 35.1033 173.5085 13 Q 4.5056 8.7289 122.1773 55.3659 30.0719 175.6701 14 A 4.3209 8.3006 124.7162 53.8055 18.8314 178.5023 15 G 3.8168 9.1766 109.1577 45.8715 0.0000 174.1417 16 G 3.9372 7.7841 109.8212 44.2086 0.0000 172.7296 17 S 4.9180 8.1290 112.5201 56.3954 65.1143 172.7734 18 L 4.5614 7.9403 123.8623 53.2983 45.7186 175.4318 19 R 4.5878 8.1951 120.2205 54.6201 32.9776 173.8911 20 L 4.8063 8.4013 127.6095 54.1239 43.2286 176.1119 21 S 5.3579 9.4927 120.3045 57.0723 65.8064 172.4745 22 C 5.6458 9.1885 123.1628 54.9373 47.0617 172.4590 23 A 5.1519 8.8832 126.5437 50.1158 21.8992 175.0103 24 A 4.8419 8.9810 124.7673 50.5325 20.4804 176.6139 25 S 4.6828 9.1089 117.7999 57.9547 65.8957 175.6353 26 G 3.9245 9.1218 109.2839 45.6273 0.0000 172.2683 27 Y 4.6963 7.7083 121.1730 55.6488 39.5585 176.0792 28 A 3.9525 8.2337 130.1499 53.8926 19.2729 176.5105 29 Y 4.5497 5.6794 113.2626 56.9752 39.8522 175.2267 30 T 4.7501 8.3265 120.6238 62.6086 71.2328 173.2819 31 Y 4.2527 8.8625 125.5029 58.2674 38.5471 176.8410 32 I 3.9740 8.7830 125.5940 63.5068 37.7521 175.2182 33 Y 4.6236 7.7984 115.7633 55.9241 42.3089 174.7448 *35 G 3.9481 8.2175 106.6684 46.1910 0.0000 171.1566 36 W 5.4341 8.9569 118.7924 54.8789 32.2110 175.6088 37 F 5.3532 9.7588 122.3544 55.8725 42.9952 174.0063 38 R 5.2226 9.1466 115.1414 55.1637 32.8824 173.8594 39 Q 4.9831 9.4540 121.8479 54.4409 31.6712 174.4379 40 A 4.9493 8.3895 127.5545 49.2572 21.5917 174.1010 41 P 4.2871 0.0000 0.0000 64.7089 31.5412 176.0332 42 G 4.2809 9.0245 117.4334 45.5935 0.0000 173.7199 43 K 3.9445 6.9493 116.3345 56.0156 32.6487 177.0973 44 E 4.2059 8.3993 121.2237 55.6392 30.2657 176.8591 45 R 4.2253 8.2424 121.6869 56.5539 30.8627 175.4986 46 E 4.9093 8.9969 121.7531 54.5298 33.5363 174.8270 47 G 3.5809 8.7858 107.8208 46.4095 0.0000 171.8786 48 V 4.5154 8.3944 118.6661 63.2022 33.9543 174.7048 49 A 5.1446 7.5312 119.6487 50.9016 23.3689 173.6651 50 A 4.7344 8.2560 120.2105 51.0336 23.8595 175.0195 *52 D 4.7126 8.7163 117.4468 52.8821 40.3514 176.7897 53 S 4.1935 8.2167 112.9624 60.8274 63.3203 176.7609 54 G 3.4567 8.1615 109.5921 47.2377 0.0000 174.1790 55 G 4.0677 7.8004 105.3031 45.2462 0.0000 174.5796 56 G 4.0646 8.9295 111.7336 44.8240 0.0000 175.0579 57 G 4.8363 8.7936 111.3435 45.4542 0.0000 173.2240 58 T 4.1780 7.2490 115.8495 63.1634 69.2315 174.2987 59 L 4.7322 8.2560 124.7830 53.4756 46.0722 174.9622 60 Y 5.2291 8.6312 120.1385 55.7472 41.4053 175.3886 61 A 4.2688 8.6951 123.2194 51.8462 19.1849 178.8310 62 D 4.4144 8.9895 120.6465 57.1347 41.0397 178.0262 63 S 4.4861 7.9765 111.2369 59.3197 63.8256 174.8604 64 V 4.4292 7.9694 112.0415 60.4485 34.3866 175.0289 65 K 3.7596 7.9207 121.9061 57.7165 32.5094 175.4964 66 G 4.0271 8.6618 113.4568 45.4315 0.0000 174.1862 67 R 4.2050 7.2395 115.7165 56.3826 30.4827 176.1448 *69 T 4.3085 7.6553 115.0490 63.4023 69.6636 173.2979 70 I 4.7727 8.5372 127.3936 61.2146 39.1211 174.9534 71 S 4.8880 8.8142 119.7414 57.6655 66.6056 173.1770 72 R 5.1559 8.4056 118.4118 54.3494 34.4770 174.7866 73 D 4.5717 8.8325 122.1718 54.1025 41.8046 176.4167 74 K 4.0108 8.8693 123.6567 58.0590 32.4300 177.6705 75 G 3.9509 8.5807 110.5611 45.6824 0.0000 173.3625 76 K 4.6314 7.8563 118.2860 54.7632 35.2325 176.0246 77 N 5.0456 8.3858 118.6460 53.3034 36.8923 174.5458 78 T 5.1264 7.5351 107.9453 60.0276 72.7814 175.3436 79 V 4.6469 8.4580 121.6444 60.7532 35.3998 172.9165 80 Y 5.4572 9.3126 120.1001 56.3555 42.6088 174.4549 81 L 4.4795 8.8585 124.3148 53.2817 44.4659 175.8246 82 Q 4.3352 8.4107 128.0054 55.3629 30.6933 173.8603 *84 D 4.2411 8.2773 120.1331 54.4197 42.3546 175.5960 85 S 3.6403 8.3753 113.0393 59.7589 60.2839 172.8813 86 L 4.2491 7.7590 120.7029 54.2539 42.9747 177.5671 87 K 4.8153 8.7014 122.0213 53.8285 34.7785 175.8288 88 P 4.7647 0.0000 0.0000 64.9977 31.3376 178.6776 89 E 4.1894 8.0706 114.5995 58.3625 29.8447 177.5329 90 D 4.5386 7.8347 118.4771 56.4437 41.1341 176.4184 91 T 4.1898 7.4515 115.7071 64.7950 68.9743 173.3475 92 A 4.3721 8.5139 126.7689 51.6715 23.8107 174.9490 93 T 4.5951 8.3839 116.8749 63.7388 69.8311 173.8162 94 Y 4.9352 9.2027 125.1477 56.8376 40.0577 174.1682 95 Y 5.1110 9.4894 122.5771 56.4929 40.8128 173.9627 96 C 4.2664 9.5323 124.4710 55.4006 45.0790 172.1703 97 A 4.6765 8.0047 126.4858 49.8989 21.9870 175.0534 98 A 4.4662 8.2817 120.8545 51.1810 22.7376 177.2121 99 G 4.0273 9.3241 109.8099 45.2399 0.0000 174.4299 100 G 3.6072 6.1036 107.9718 44.1836 0.0000 173.0736 101 Y 4.2379 7.8114 122.9723 56.5977 42.2271 174.8403 102 E 2.9591 6.1790 127.5484 57.8722 28.2273 176.0238 103 L 4.5391 8.1487 118.5481 55.5482 42.2436 177.6850 104 R 4.4773 7.9350 119.6461 54.6624 29.5399 177.1386 105 D 4.3652 9.1024 123.6201 57.3090 41.1566 179.0923 106 R 4.1035 8.1104 113.0987 58.4952 29.7486 177.1259 107 T 4.2471 8.3935 108.6662 62.4388 69.5945 173.8138 108 Y 4.4851 7.8485 120.4002 56.8386 38.8741 175.5769 109 G 4.1186 8.5630 111.2685 45.1894 0.0000 172.4621 110 Q 4.6575 7.5226 118.6822 53.6816 31.3577 174.6905 111 W 5.1729 8.7651 123.3560 54.6620 32.6941 175.7376 112 G 4.0099 8.9728 112.0748 45.6126 0.0000 173.8784 113 Q 4.2668 8.7792 118.3704 57.1816 29.0132 177.6176 114 G 3.6568 8.8168 106.3334 44.8411 0.0000 173.0231 115 T 4.5616 8.8980 119.9998 61.2642 71.3697 173.4040 116 Q 4.4145 8.7259 128.7541 55.9957 30.6701 174.5865 117 V 4.8019 8.9054 126.2804 61.3787 34.6756 174.1198 118 T 4.7889 8.7925 124.0474 61.8773 71.8552 173.1564 119 V 4.8166 8.8152 127.1866 59.6736 32.6681 174.5762 120 S 4.5086 8.3963 121.7483 57.8482 64.6107 174.7819 121 S 4.3410 8.4808 115.1899 58.6553 63.1497 173.9420 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 Q 8.34 4.21 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 2 V 8.22 4.13 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 0.87 0.00 0.00 1.18 0.00 0.00 3 Q 8.41 4.28 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.33 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 *5 V 8.25 4.16 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 1.01 0.00 0.00 0.96 0.00 0.00 6 E 8.55 5.59 0.00 1.95 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 2.28 2.30 0.00 7 S 9.10 4.53 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.70 4.58 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 0.00 0.00 0.00 9 G 7.92 3.82 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 0.00 0.00 0.00 10 G 7.25 3.69 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 0.00 0.00 0.00 11 L 8.11 5.14 0.00 1.52 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.09 4.47 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 0.57 0.00 0.00 0.96 0.00 0.00 13 Q 8.73 4.51 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.08 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 14 A 8.30 4.32 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 15 G 9.18 3.82 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 0.00 0.00 0.00 16 G 7.78 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 17 S 8.13 4.92 0.00 3.75 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 18 L 7.94 4.56 0.00 1.45 1.33 0.79 0.74 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 19 R 8.20 4.59 0.00 1.96 1.71 0.00 3.28 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 20 L 8.40 4.81 0.00 0.68 0.92 0.03 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.49 5.36 0.00 3.86 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 22 C 9.19 5.65 0.00 2.86 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 23 A 8.88 5.15 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 24 A 8.98 4.84 1.32 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 0.00 0.00 0.00 25 S 9.11 4.68 0.00 3.94 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 26 G 9.12 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 0.00 0.00 0.00 27 Y 7.71 4.70 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 28 A 8.23 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 5.68 4.55 0.00 2.33 2.54 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 30 T 8.33 4.75 4.27 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 1.29 0.00 0.00 31 Y 8.86 4.25 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.78 3.97 2.01 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 1.48 1.66 1.01 0.00 0.00 33 Y 7.80 4.62 0.00 2.99 2.79 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 *35 G 8.22 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 0.00 0.00 0.00 36 W 8.96 5.43 0.00 3.25 3.20 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 37 F 9.76 5.35 0.00 3.29 3.23 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 38 R 9.15 5.22 0.00 1.11 1.06 0.00 2.24 0.00 0.00 2.66 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 39 Q 9.45 4.98 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 40 A 8.39 4.95 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 41 P 0.00 4.29 0.00 2.06 2.06 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 42 G 9.02 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 0.00 0.00 0.00 0.00 43 K 6.95 3.94 0.00 1.76 1.78 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.58 7.81 44 E 8.40 4.21 0.00 1.93 1.86 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 2.29 2.33 0.00 45 R 8.24 4.23 0.00 1.62 1.71 0.00 2.95 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 46 E 9.00 4.91 0.00 2.07 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 2.20 2.27 0.00 47 G 8.79 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.39 4.52 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 1.12 0.00 0.00 0.96 0.00 0.00 49 A 7.53 5.14 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 50 A 8.26 4.73 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 *52 D 8.72 4.71 0.00 2.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.22 4.19 0.00 4.03 4.33 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 54 G 8.16 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.80 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 0.00 0.00 0.00 56 G 8.93 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 0.00 0.00 0.00 57 G 8.79 4.84 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 58 T 7.25 4.18 4.27 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 1.09 0.00 0.00 59 L 8.26 4.73 0.00 1.48 1.43 0.80 0.52 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 60 Y 8.63 5.23 0.00 2.83 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 61 A 8.70 4.27 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 62 D 8.99 4.41 0.00 2.70 2.78 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 63 S 7.98 4.49 0.00 3.99 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 64 V 7.97 4.43 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 0.86 0.00 0.00 1.03 0.00 0.00 65 K 7.92 3.76 0.00 1.71 1.66 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.14 7.81 66 G 8.66 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 67 R 7.24 4.21 0.00 1.89 2.05 0.00 3.38 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 *69 T 7.66 4.31 4.27 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 1.29 0.00 0.00 70 I 8.54 4.77 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.18 0.81 0.00 0.00 71 S 8.81 4.89 0.00 4.03 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 72 R 8.41 5.16 0.00 1.69 1.89 0.00 3.17 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 73 D 8.83 4.57 0.00 2.68 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 74 K 8.87 4.01 0.00 1.76 1.79 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.48 7.81 75 G 8.58 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 0.00 0.00 0.00 76 K 7.86 4.63 0.00 1.91 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.60 7.81 77 N 8.39 5.05 0.00 2.84 2.96 0.00 0.00 6.34 7.05 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 78 T 7.54 5.13 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 1.25 0.00 0.00 79 V 8.46 4.65 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 0.19 0.00 0.00 0.98 0.00 0.00 80 Y 9.31 5.46 0.00 2.96 2.86 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 81 L 8.86 4.48 0.00 0.61 0.68 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.41 4.34 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.25 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 *84 D 8.28 4.24 0.00 2.69 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 85 S 8.38 3.64 0.00 3.90 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 86 L 7.76 4.25 0.00 1.83 1.55 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.70 4.82 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 88 P 0.00 4.76 0.00 2.18 2.11 0.00 3.87 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 2.11 2.04 0.00 89 E 8.07 4.19 0.00 2.09 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 2.29 2.29 0.00 90 D 7.83 4.54 0.00 2.92 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 91 T 7.45 4.19 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 1.25 0.00 0.00 92 A 8.51 4.37 1.13 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 0.00 0.00 0.00 93 T 8.38 4.60 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 0.74 0.00 0.00 94 Y 9.20 4.94 0.00 2.87 3.07 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 95 Y 9.49 5.11 0.00 3.37 3.32 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 0.00 96 C 9.53 4.27 0.00 1.98 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 97 A 8.00 4.68 -0.51 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 98 A 8.28 4.47 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 99 G 9.32 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 0.00 100 G 6.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.81 4.24 0.00 2.75 2.64 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 0.00 102 E 6.18 2.96 0.00 1.53 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 1.47 1.47 0.00 103 L 8.15 4.54 0.00 1.56 1.58 0.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.93 4.48 0.00 2.17 2.01 0.00 3.25 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 105 D 9.10 4.37 0.00 2.78 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 0.00 106 R 8.11 4.10 0.00 1.99 2.08 0.00 3.11 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 107 T 8.39 4.25 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 1.32 0.00 0.00 108 Y 7.85 4.49 0.00 2.55 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 0.00 109 G 8.56 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 0.00 110 Q 7.52 4.66 0.00 1.65 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.71 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 111 W 8.77 5.17 0.00 3.05 3.08 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 0.00 112 G 8.97 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 0.00 113 Q 8.78 4.27 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 114 G 8.82 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 0.00 115 T 8.90 4.56 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 1.21 0.00 0.00 116 Q 8.73 4.41 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 117 V 8.91 4.80 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 0.57 0.00 0.00 118 T 8.79 4.79 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 0.00 119 V 8.82 4.82 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 1.28 0.00 0.00 0.93 0.00 0.00 120 S 8.40 4.51 0.00 3.94 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 0.00 121 S 8.48 4.34 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.