NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3109 8.2745 117.3745 63.0327 70.4954 175.0853 4 E 4.2980 8.1524 113.8551 54.4508 32.1092 175.8491 5 N 4.8782 7.7297 116.1842 51.9486 41.3105 172.9045 6 P 4.2441 0.0000 0.0000 65.7916 31.4409 178.7229 7 V 3.5568 7.8438 117.5950 65.9094 31.6650 177.8036 8 L 4.0212 8.0203 118.3236 57.8935 41.3806 179.5579 9 Q 3.9747 8.3785 117.8662 58.8849 28.6046 178.6950 10 A 3.9691 8.1952 121.7887 55.2864 18.2123 179.6483 11 I 3.6126 7.5267 117.0791 64.6435 37.2570 178.3203 12 R 4.0788 7.8109 118.2360 58.7597 30.0784 177.6492 13 Q 4.3536 8.2165 116.1643 55.2515 29.4855 176.1592 14 R 3.7899 7.4742 121.1666 56.6181 30.4736 175.7430 15 R 4.7136 8.2208 122.7746 54.0376 33.8442 175.2536 16 S 4.4825 8.6479 116.5685 58.6800 62.9383 173.8945 17 I 4.4332 8.5780 127.5234 59.7293 38.5287 175.9498 18 R 4.6129 8.8802 122.4819 54.8650 31.3083 175.8379 19 R 4.2816 6.8505 117.0449 54.3897 33.8318 173.8070 20 Y 5.4567 8.0623 119.2752 56.4306 42.9624 174.9876 21 T 4.3458 8.7935 112.6302 60.9961 70.7517 174.2795 22 D 4.7179 8.5530 119.1164 54.3411 40.9830 176.5889 23 E 4.0362 7.9569 121.3183 55.5139 30.1553 176.5771 24 A 4.1072 8.4403 128.4916 52.2036 19.1335 176.8336 25 V 4.2899 8.0385 120.7400 60.8351 32.8717 176.6898 26 S 4.3632 8.4301 122.5591 58.2883 64.9169 174.6594 27 D 4.3566 8.6364 122.9195 57.6440 40.5244 178.8483 28 E 3.8932 8.1383 119.0314 59.0708 29.6851 178.4311 29 A 3.9505 8.0780 120.8440 55.2627 18.3810 179.7495 30 V 3.4664 7.8457 116.6508 66.0324 31.4955 178.1225 31 R 3.8316 8.3074 118.7806 59.5546 29.9438 178.4746 32 L 3.9784 8.2735 119.0968 57.7589 41.5475 179.6823 33 I 3.6498 7.9368 119.8421 64.3916 37.0974 178.4794 34 L 3.6729 8.0836 120.1036 57.7305 41.1913 179.4012 35 E 4.0317 8.5308 118.6777 59.2950 29.1346 179.2774 36 A 4.1781 7.8738 120.1537 55.0411 18.7991 179.5237 37 G 3.6760 7.8903 104.4788 48.0278 0.0000 175.9671 38 I 3.9124 7.5382 114.1365 62.6544 37.7182 177.2927 39 W 4.2881 7.6563 118.4134 55.9426 29.5184 176.4356 40 A 4.2377 7.1859 122.3953 51.3198 18.4519 175.8512 41 P 4.6341 0.0000 0.0000 62.6653 32.6186 175.7969 42 S 4.6887 8.1419 112.1536 56.2625 66.0330 173.7444 43 G 3.8918 8.6466 110.4464 46.5576 0.0000 173.9921 44 L 3.5680 8.6936 121.3667 54.2180 39.3354 173.7345 45 N 4.1361 7.9480 115.1286 54.5014 37.8172 175.2883 46 N 4.2815 8.2390 115.4379 54.0401 39.3959 175.4889 47 Q 3.4151 7.9727 116.5683 56.4859 26.3139 171.8961 48 P 4.5146 0.0000 0.0000 64.5295 33.2555 177.8979 49 C 4.7455 7.9250 118.4279 59.7847 28.9581 173.1374 50 R 4.5834 8.5866 120.5745 54.4463 34.2391 174.3034 51 F 5.5665 8.6590 118.5727 55.8700 43.4469 174.1129 52 L 4.7797 9.1885 123.2951 53.5442 45.2050 175.1407 53 V 4.5718 8.6018 126.5560 62.1114 32.9359 175.1536 54 I 4.5269 9.0013 128.1997 59.5865 40.2170 175.3950 55 R 4.6470 8.5384 126.0404 55.1897 31.2194 177.8469 56 A 3.9227 8.4515 124.3172 55.3902 18.3761 178.5844 57 D 4.6248 7.9639 112.2388 53.5931 40.1158 175.3968 58 D 4.6870 8.1490 121.9550 52.6970 42.2137 175.4560 59 P 4.3195 0.0000 0.0000 65.7219 31.1412 178.4773 60 R 4.1001 8.6536 117.9927 58.6121 29.7978 178.4098 61 C 4.1883 8.3118 117.4294 62.7526 28.1171 175.6392 62 D 4.3786 8.1345 120.6248 57.1945 40.1501 178.8000 63 I 3.7341 7.5821 118.9501 64.3999 37.5351 177.7400 64 L 4.1892 8.1746 119.7182 58.0961 41.2979 179.6548 65 A 4.1034 8.1117 118.9899 54.9316 18.4147 178.9209 66 A 4.2390 7.9005 116.9651 53.6878 18.5369 177.5371 67 H 4.9614 7.9423 114.3235 55.0034 29.8079 173.4602 68 T 4.9174 7.6190 111.6631 60.9041 70.0688 173.7914 69 R 4.1054 9.0223 125.6003 57.8385 30.8999 176.7200 70 Y 4.6889 8.1494 118.2098 57.4916 38.1753 177.9575 71 G 3.7235 8.0183 108.5052 48.0239 0.0000 174.3314 72 H 4.2722 8.2758 120.1135 59.2050 29.9846 177.3136 73 I 3.8279 7.8606 121.1145 64.4008 36.8857 178.2685 74 V 3.6343 7.5877 117.5815 66.3556 31.4940 178.0945 75 R 4.2333 8.4945 116.2082 58.3738 30.0100 178.5084 76 G 3.8641 7.8952 104.0117 45.4968 0.0000 174.3096 77 A 3.6485 7.2986 123.1860 52.1027 19.1618 177.2527 78 K 4.4522 8.4487 119.7224 57.7879 33.9347 177.3890 79 V 4.8678 7.3535 117.9384 60.0010 35.2840 174.2123 80 I 4.9380 8.8005 123.4379 59.6403 40.6775 174.3525 81 I 4.8698 8.8127 128.1013 59.5634 39.3463 174.7595 82 L 4.7397 9.1662 128.7816 54.0890 43.1334 176.1134 83 V 4.6403 8.6422 123.9336 61.1582 33.9992 174.4340 84 F 5.4248 9.0211 125.1320 55.8925 44.0007 173.2499 85 L 5.0635 8.9456 120.5883 53.0641 44.3673 175.5516 86 D 4.8217 9.1861 124.1117 53.9087 41.3721 177.0633 87 R 3.9994 8.9366 126.8981 59.4067 30.0659 178.5391 88 E 4.0177 8.8636 118.1090 58.7574 29.7821 177.5309 89 A 4.2856 7.6253 123.2975 50.6803 17.1392 176.1869 *91 Y 4.6748 7.6740 119.3480 56.0153 40.5540 175.7568 92 N 4.2900 7.5903 116.4602 51.4202 42.5048 174.4039 93 E 3.7821 8.5514 128.3034 59.3814 29.6970 179.1942 94 V 3.6055 7.7161 117.6550 66.2568 31.6363 178.1177 95 K 4.3337 8.2263 119.3032 59.0056 31.7587 179.1125 96 D 4.4568 8.2657 119.4191 57.3162 40.7003 178.4735 97 H 4.3964 8.4293 117.2643 59.0082 28.5746 177.7805 98 Q 4.0386 8.4211 119.7536 58.9780 28.4612 178.7810 99 A 4.0332 8.2221 121.5874 55.0605 18.3298 179.5410 100 A 4.0060 8.3086 119.6339 55.1919 18.3733 180.0574 101 G 3.6935 8.4867 104.2568 48.0126 0.0000 175.8271 102 A 4.0710 8.3359 123.2233 54.6545 18.1492 179.6426 103 A 3.9456 8.0558 118.7437 55.2705 18.5978 179.6405 104 V 3.3940 7.6099 115.7884 66.0730 31.6745 177.5754 105 Q 4.2236 8.2482 119.5462 59.2206 28.7849 178.8409 106 N 4.5636 8.0596 114.6315 54.0058 38.6142 176.7804 *108 L 4.3052 7.8913 122.5395 54.9400 43.9718 179.3566 109 L 4.0137 8.2397 118.3477 57.6416 41.5005 179.3901 110 A 3.9746 8.4502 120.9530 55.0090 18.2508 179.4674 111 A 3.8837 7.9449 118.7603 55.5844 18.5467 178.9761 112 H 4.1337 8.3913 116.4907 59.6378 29.7135 177.2254 113 A 4.0718 8.2712 121.3426 54.6894 18.1349 178.4817 114 L 4.3957 7.4562 115.3488 53.9340 41.8810 176.5905 115 Q 3.4902 7.7759 116.1361 56.9969 26.8078 173.4642 116 L 4.6631 7.9734 116.5783 53.3193 44.2039 176.2155 117 G 4.4132 9.2761 108.2619 44.9328 0.0000 172.6590 118 A 5.6043 8.4637 123.9446 50.4840 23.5032 175.1582 119 V 4.7787 8.8200 118.3500 59.6739 35.1756 174.3254 120 W 4.6488 9.0777 134.7789 57.2902 31.4319 174.8838 121 L 4.6158 9.6521 128.4267 53.3406 42.9407 177.3336 122 G 3.8616 8.5927 109.8926 45.0585 0.0000 174.2179 123 E 4.0178 8.1309 121.0624 59.3309 29.6923 178.5083 124 I 3.8953 7.8100 118.4773 63.7299 38.1287 177.5047 125 I 3.7608 7.5150 113.6052 63.3082 37.1183 177.7983 126 N 4.4719 7.9901 117.8496 55.6885 38.4209 175.4381 127 Q 4.5505 7.9228 117.8886 55.8126 29.2947 177.1127 128 A 4.1521 8.3665 123.4911 55.6827 18.0331 180.3924 129 A 3.9670 8.1590 117.5857 55.0692 18.3826 178.9700 130 T 4.2348 7.7128 107.0183 63.7972 69.7334 176.8753 131 L 3.6688 8.1352 123.5525 57.6110 42.0337 178.8624 132 L 3.8976 7.9934 118.9189 57.5528 41.6715 177.7368 133 P 4.2949 0.0000 0.0000 65.6357 31.0077 178.4733 134 A 4.1123 7.6194 118.2929 54.1383 18.2392 178.5750 135 L 4.4080 7.1734 115.5118 53.6279 42.0391 176.1934 136 A 3.7091 7.7888 120.1867 53.2865 16.5452 177.9453 137 L 4.5492 7.9365 118.2116 54.4296 44.3578 176.1292 138 D 4.6948 8.1004 120.7393 52.0442 41.4548 175.5020 139 P 4.5535 0.0000 0.0000 64.2332 31.5323 177.5993 140 A 4.1768 8.1435 120.4504 53.7298 18.7874 177.8877 141 R 4.4576 8.0811 115.9520 56.7037 32.5485 176.0772 142 L 5.2847 7.7202 117.5841 52.7641 46.0065 175.3898 143 S 4.6642 9.1081 118.3415 56.6573 64.2549 172.6493 144 F 4.9422 9.0989 130.4050 58.3704 39.0563 174.3333 145 E 4.3550 8.8081 126.5409 58.0638 30.7471 176.2675 146 A 4.2841 6.6854 117.3372 51.1665 22.6738 174.8940 147 A 5.1301 8.5282 120.8578 50.1709 22.5350 175.3682 148 I 4.7968 8.7757 122.7933 59.5257 39.6727 174.6013 149 A 5.0154 8.7837 129.3595 50.7705 20.7967 175.7284 150 A 4.8334 8.3884 122.4013 50.4330 23.6776 175.2015 151 G 4.1060 8.0244 105.6479 46.1007 0.0000 172.1633 152 H 4.8638 8.1926 117.2966 54.8274 29.8254 173.7378 153 P 4.7198 0.0000 0.0000 62.5294 32.0288 175.8727 154 A 4.9003 8.2284 124.9278 51.1552 19.7595 175.7190 155 Q 4.4324 7.7058 113.3533 57.3765 30.6016 172.7885 156 N 4.8240 8.6717 116.4200 51.8390 40.3662 175.5037 157 G 4.0727 8.2252 110.5981 44.7791 0.0000 172.7530 158 S 4.5814 8.0143 111.4192 57.5898 65.2848 173.3560 159 S 4.5228 8.0532 115.7511 58.0339 64.9421 173.1650 160 S 4.7733 8.1893 114.4826 56.7335 65.7026 173.3027 161 R 4.7048 8.0927 118.9981 54.1149 33.7642 175.7554 162 R 4.1380 8.3347 119.1540 55.4360 31.0263 175.1661 163 P 4.4146 0.0000 0.0000 62.1562 32.2785 177.2566 164 L 3.9210 8.8445 123.0913 58.6998 41.5335 179.2917 165 A 3.9966 8.0323 118.9308 55.3242 18.3684 178.8406 166 E 4.1234 8.1324 115.1526 58.0280 29.7793 177.5946 167 L 4.4871 7.7092 117.2703 54.6010 42.8375 176.6768 168 L 4.3619 7.5908 118.7805 53.9735 42.4363 176.9697 169 L 4.2529 8.3430 121.6236 56.6701 42.1917 176.9088 170 E 4.5935 7.4735 115.9476 54.7760 33.3320 174.1539 171 E 4.0872 8.5851 123.7151 55.0614 29.7461 174.6049 172 P 4.3337 0.0000 0.0000 63.3994 32.2465 175.8369 173 F 5.1596 7.4590 118.0247 54.9357 40.7221 173.9693 174 P 4.2550 0.0000 0.0000 65.3935 30.9964 176.0799 175 Q 4.3721 7.9145 120.0165 53.3335 29.0035 172.9173 176 P 4.4172 0.0000 0.0000 62.9733 32.0152 176.3876 177 E 4.2216 9.4352 120.6960 56.8526 29.2593 176.9068 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 3 T 8.27 4.31 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 4 E 8.15 4.30 0.00 2.03 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 0.00 2.12 1.93 0.00 5 N 7.73 4.88 0.00 2.73 2.72 0.00 0.00 6.97 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.24 0.00 2.31 2.30 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 7 V 7.84 3.56 2.21 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 1.07 0.00 0.00 0.93 0.00 0.00 8 L 8.02 4.02 0.00 1.77 1.71 0.92 0.63 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 9 Q 8.38 3.97 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 10 A 8.20 3.97 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 11 I 7.53 3.61 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.92 0.00 0.00 12 R 7.81 4.08 0.00 1.82 2.09 0.00 3.30 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 13 Q 8.22 4.35 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 14 R 7.47 3.79 0.00 1.76 1.81 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 15 R 8.22 4.71 0.00 1.82 1.79 0.00 3.43 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 16 S 8.65 4.48 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.58 4.43 1.98 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 1.55 0.90 0.91 0.00 0.00 18 R 8.88 4.61 0.00 1.70 1.93 0.00 3.09 0.00 0.00 3.13 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 19 R 6.85 4.28 0.00 1.50 1.60 0.00 3.06 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 20 Y 8.06 5.46 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.79 4.35 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 1.29 0.00 0.00 22 D 8.55 4.72 0.00 2.71 2.75 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 23 E 7.96 4.04 0.00 1.90 1.79 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 2.13 2.17 0.00 24 A 8.44 4.11 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 25 V 8.04 4.29 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 0.83 0.00 0.00 0.87 0.00 0.00 26 S 8.43 4.36 0.00 4.09 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 27 D 8.64 4.36 0.00 2.70 2.76 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 28 E 8.14 3.89 0.00 2.07 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 2.37 2.43 0.00 29 A 8.08 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.85 3.47 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 1.05 0.00 0.00 0.94 0.00 0.00 31 R 8.31 3.83 0.00 1.99 2.03 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 L 8.27 3.98 0.00 1.81 1.68 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.94 3.65 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 0.85 0.00 0.00 34 L 8.08 3.67 0.00 1.69 1.44 0.87 0.79 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 35 E 8.53 4.03 0.00 2.13 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 2.49 2.50 0.00 36 A 7.87 4.18 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 37 G 7.89 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 38 I 7.54 3.91 1.74 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 1.65 0.38 0.82 0.00 0.00 39 W 7.66 4.29 0.00 3.41 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.19 4.24 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 41 P 0.00 4.63 0.00 2.23 2.11 0.00 3.81 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 2.03 2.00 0.00 42 S 8.14 4.69 0.00 3.99 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 43 G 8.65 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 44 L 8.69 3.57 0.00 1.63 1.59 0.49 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.95 4.14 0.00 2.75 2.77 0.00 0.00 7.12 7.81 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 46 N 8.24 4.28 0.00 2.77 2.84 0.00 0.00 6.90 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 47 Q 7.97 3.42 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 48 P 0.00 4.51 0.00 2.11 2.32 0.00 3.69 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 2.07 2.23 0.00 49 C 7.92 4.75 0.00 2.85 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.59 4.58 0.00 1.59 1.67 0.00 3.19 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 51 F 8.66 5.57 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.19 4.78 0.00 1.86 1.75 0.95 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 53 V 8.60 4.57 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 0.85 0.00 0.00 0.96 0.00 0.00 54 I 9.00 4.53 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.93 0.00 0.00 55 R 8.54 4.65 0.00 1.86 1.84 0.00 3.14 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 56 A 8.45 3.92 1.36 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 0.00 0.00 57 D 7.96 4.62 0.00 2.78 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 58 D 8.15 4.69 0.00 2.72 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 59 P 0.00 4.32 0.00 2.31 2.31 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 60 R 8.65 4.10 0.00 1.99 2.03 0.00 3.12 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 61 C 8.31 4.19 0.00 3.07 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 62 D 8.13 4.38 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.58 3.73 2.05 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 1.67 0.49 0.95 0.00 0.00 64 L 8.17 4.19 0.00 1.91 1.81 0.96 1.06 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 65 A 8.11 4.10 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 66 A 7.90 4.24 1.31 0.00 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0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.07 0.00 0.00 75 R 8.49 4.23 0.00 1.81 2.01 0.00 3.25 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 76 G 7.90 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 77 A 7.30 3.65 1.14 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 0.00 0.00 78 K 8.45 4.45 0.00 1.59 1.82 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.74 7.81 79 V 7.35 4.87 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 0.64 0.00 0.00 0.91 0.00 0.00 80 I 8.80 4.94 2.00 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 1.22 0.60 0.99 0.00 0.00 81 I 8.81 4.87 1.88 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 1.24 0.82 1.03 0.00 0.00 82 L 9.17 4.74 0.00 1.72 1.34 0.95 0.69 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 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1.51 0.00 0.00 7.03 7.10 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 93 E 8.55 3.78 0.00 2.02 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 2.34 2.31 0.00 94 V 7.72 3.61 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 1.14 0.00 0.00 0.92 0.00 0.00 95 K 8.23 4.33 0.00 1.51 1.90 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.38 7.81 96 D 8.27 4.46 0.00 2.67 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 97 H 8.43 4.40 0.00 3.34 3.35 0.00 5.62 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 98 Q 8.42 4.04 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 99 A 8.22 4.03 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 0.00 100 A 8.31 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.92 4.55 0.00 2.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 128 A 8.37 4.15 1.60 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 0.00 129 A 8.16 3.97 1.34 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 0.00 130 T 7.71 4.23 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 1.25 0.00 0.00 131 L 8.14 3.67 0.00 1.67 1.78 0.85 0.58 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 0.00 132 L 7.99 3.90 0.00 1.92 1.81 0.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.29 0.00 2.14 2.09 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 134 A 7.62 4.11 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 0.00 135 L 7.17 4.41 0.00 1.64 1.64 0.83 0.75 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 0.00 136 A 7.79 3.71 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 0.00 137 L 7.94 4.55 0.00 1.57 1.34 0.62 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.10 4.69 0.00 2.68 2.48 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 0.00 139 P 0.00 4.55 0.00 2.10 2.13 0.00 3.76 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 140 A 8.14 4.18 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 0.00 141 R 8.08 4.46 0.00 1.90 1.97 0.00 3.05 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 142 L 7.72 5.28 0.00 1.51 1.48 0.36 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 143 S 9.11 4.66 0.00 3.94 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 0.00 144 F 9.10 4.94 0.00 3.05 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 0.00 145 E 8.81 4.36 0.00 1.84 1.91 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 2.47 2.37 0.00 146 A 6.69 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.53 5.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.78 4.80 1.82 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 0.96 0.55 0.93 0.00 0.00 149 A 8.78 5.02 1.28 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 0.00 150 A 8.39 4.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.02 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 0.00 0.00 0.00 152 H 8.19 4.86 0.00 3.16 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.72 0.00 2.10 2.12 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 154 A 8.23 4.90 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 0.00 155 Q 7.71 4.43 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.74 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 156 N 8.67 4.82 0.00 2.73 2.78 0.00 0.00 6.85 7.65 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 0.00 157 G 8.23 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 0.00 158 S 8.01 4.58 0.00 3.94 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 0.00 159 S 8.05 4.52 0.00 3.80 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 0.00 160 S 8.19 4.77 0.00 3.94 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 0.00 161 R 8.09 4.70 0.00 1.76 1.81 0.00 3.36 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 162 R 8.33 4.14 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 163 P 0.00 4.41 0.00 2.18 1.97 0.00 3.77 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 2.24 2.07 0.00 164 L 8.84 3.92 0.00 1.78 1.74 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.03 4.00 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 0.00 166 E 8.13 4.12 0.00 2.10 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 2.34 2.34 0.00 167 L 7.71 4.49 0.00 1.74 1.69 0.92 0.82 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 0.00 168 L 7.59 4.36 0.00 1.60 1.71 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.34 4.25 0.00 1.61 1.70 0.91 0.84 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 0.00 170 E 7.47 4.59 0.00 1.84 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 171 E 8.59 4.09 0.00 1.87 1.83 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 2.28 2.47 0.00 172 P 0.00 4.33 0.00 1.66 1.82 0.00 3.27 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.31 0.00 173 F 7.46 5.16 0.00 3.21 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 0.00 174 P 0.00 4.25 0.00 2.21 2.24 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 175 Q 7.91 4.37 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 176 P 0.00 4.42 0.00 2.09 2.02 0.00 3.76 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 2.05 2.16 0.00 177 E 9.44 4.22 0.00 2.01 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 2.76 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.