NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7332 8.3549 109.7370 45.4988 0.0000 172.2621 *2 T 3.9483 8.2443 115.5513 62.8643 69.1039 173.7886 3 A 4.0676 8.5874 130.1471 51.3414 18.7952 175.2577 4 P 4.2732 0.0000 0.0000 63.0568 31.9899 176.2384 5 T 4.3149 8.2432 119.1868 62.2054 68.8071 174.7401 6 L 4.2047 8.2317 127.4572 53.8933 42.5102 177.4264 7 S 4.3015 8.2490 117.1379 57.8230 63.9334 174.2660 8 R 3.8765 8.6289 121.9268 59.5740 30.2069 177.7061 9 A 4.0418 8.1337 120.0000 55.3138 18.7937 179.7017 10 A 4.1616 8.0956 115.1148 53.1682 17.9885 178.7056 *12 E 4.3014 8.2599 121.6991 57.5876 31.6390 178.1787 13 K 3.9774 8.2688 118.1950 59.4995 31.9950 179.4984 14 V 3.6481 7.7609 118.0630 66.0435 31.4668 178.1259 15 I 3.9008 7.8852 119.0758 64.6686 36.9789 178.5516 16 R 4.0299 8.4138 119.1208 59.3911 29.7750 179.1884 17 T 3.8974 8.1990 115.7950 66.6316 68.3410 175.8559 18 Y 4.2246 8.3011 121.4742 61.2121 38.8665 177.8866 19 Y 3.2594 8.2661 117.4770 60.7553 37.8310 178.3418 20 D 4.4478 8.5334 120.2786 57.4853 41.0256 179.1305 21 G 3.6409 8.3412 106.3250 47.8956 0.0000 175.3013 22 C 3.8754 7.9891 119.3012 62.8443 27.8483 176.1765 23 N 4.4107 7.8842 116.2670 55.9343 38.1399 176.5088 24 E 4.2529 8.2989 117.2849 55.4607 30.1876 175.9853 25 A 3.7158 7.7066 121.1421 53.2810 16.7407 177.6834 26 D 4.7760 7.8958 120.7821 53.5042 41.4203 175.4288 27 E 4.1216 8.7452 126.5357 59.2376 30.3087 179.6643 28 A 4.0059 8.2267 121.2679 55.2570 17.7951 179.8745 29 K 4.1503 8.4649 113.6841 57.3599 31.8832 178.4213 *31 I 4.3549 7.8604 120.1389 60.9363 38.8104 177.5035 32 A 4.2260 7.9250 120.8175 54.2046 18.3641 177.6667 33 C 4.3331 7.6306 109.8694 59.8638 28.7454 173.2775 34 F 5.2399 7.5993 117.7073 55.0203 42.0041 175.5594 35 V 3.8763 8.2983 116.4906 60.7766 32.1316 175.9255 36 P 4.2193 0.0000 0.0000 65.5905 31.2992 177.6770 37 E 4.3836 8.0273 112.8617 55.9521 30.0106 176.0380 38 A 4.6531 7.8500 122.1917 52.2174 19.7852 177.1022 39 V 4.5633 8.2368 119.4996 61.1648 35.0629 173.4874 40 H 5.0306 8.5572 127.0894 54.6342 31.8528 172.8271 41 Y 4.8152 8.6921 123.2591 56.4979 41.0228 174.5618 42 F 5.0344 8.2481 118.3969 54.9176 44.2221 172.0514 43 P 4.4508 0.0000 0.0000 62.9025 31.6776 176.5043 44 A 3.9318 8.5413 125.5532 52.8193 18.8913 178.3634 45 G 3.9349 8.4031 110.0774 46.6597 0.0000 173.5353 *47 Y 4.6827 7.6628 110.0107 57.5820 39.7231 177.5874 48 G 3.8706 8.9065 105.9826 45.6005 0.0000 173.4496 49 G 3.7452 7.1082 104.3866 43.6728 0.0000 173.7885 50 A 4.3850 8.5922 122.0370 52.0384 19.6795 177.8804 51 F 4.7845 9.0029 118.8578 56.3952 40.5536 175.9294 52 R 4.4323 8.4833 124.5670 58.1891 30.6191 176.9273 53 G 3.8382 9.0767 112.5099 44.7822 0.0000 173.1373 54 A 3.4275 8.8391 124.3087 55.0599 18.3245 180.3824 55 A 3.8893 7.7873 118.4524 55.2415 18.4553 179.8115 56 Q 3.7098 7.7153 116.1802 58.8681 28.9233 178.4366 57 I 3.2683 7.4158 120.5546 64.2578 37.0778 178.3224 58 A 4.0487 7.8468 121.3589 55.4339 18.2301 179.1520 59 H 4.6751 8.0367 118.0521 59.0976 29.9390 177.7888 60 R 3.5920 7.5868 119.8191 58.7824 29.6795 179.1007 61 W 4.8584 7.8554 118.9122 59.6894 29.0033 178.5296 62 R 3.9822 8.3346 118.9996 59.7930 29.4171 178.6489 63 T 3.8179 8.0265 115.2654 66.5461 68.3825 176.4147 64 A 4.0408 8.1347 122.6222 55.1850 18.5576 179.7734 65 V 3.6558 8.1428 116.7948 66.3336 31.3819 178.1575 66 E 4.0072 8.1271 117.3897 59.2760 29.3837 178.7067 67 T 4.2668 8.1029 108.4819 63.1846 69.8849 176.1313 68 L 4.5608 8.4748 120.3871 53.2927 42.3759 177.6586 69 G 3.9748 7.8222 106.2622 46.0721 0.0000 173.7959 70 S 4.1546 8.0425 114.3329 59.2656 63.4125 173.6150 71 Y 4.6765 8.5682 124.1978 55.8467 42.0378 173.6335 72 W 6.1766 9.7074 126.8590 54.5194 31.8827 175.4151 73 T 4.9507 8.8503 112.2317 60.0948 71.9480 172.8169 74 I 4.2514 8.4378 124.6441 60.8009 37.2308 174.9906 75 D 4.8336 9.3553 128.0792 55.6541 42.2157 177.1141 76 A 4.7543 7.6969 118.0660 50.3967 23.0210 175.1335 77 L 4.9848 8.4254 121.6889 53.5039 45.1641 175.5270 78 V 4.4230 9.1175 127.2443 61.1993 33.8576 174.1270 79 I 4.7570 8.4624 128.3631 59.4984 40.0868 174.6545 80 D 4.8343 9.1383 127.2871 52.3496 42.0941 176.3794 81 A 4.1123 8.6314 129.2723 54.1479 18.9658 178.2575 82 E 4.0739 8.3578 117.1336 58.6803 29.7145 177.5292 83 T 4.2675 8.0486 105.3683 60.3959 70.4012 173.5933 84 A 3.7295 7.9938 125.0716 53.5493 16.6269 176.0103 85 E 5.4926 7.7878 118.0813 55.4345 34.9687 175.7679 86 A 5.3850 9.4030 122.2560 50.5219 23.6200 174.7907 87 A 5.2711 9.2842 119.9276 50.4084 23.0930 175.4236 88 I 5.0512 8.9527 121.1475 59.5481 41.2953 174.0389 89 E 4.9412 9.1601 128.6235 54.6780 31.2699 174.8383 90 W 5.8670 8.6542 123.2958 55.2426 32.8652 173.8764 91 T 5.1497 9.2148 116.0329 62.1188 71.9425 172.8349 92 H 4.6338 9.8230 126.7752 54.4666 31.6482 173.3391 93 F 4.5570 9.0182 126.9946 56.5888 40.0163 175.9960 94 K 4.7053 8.7315 126.8247 54.8422 30.3024 177.6298 95 T 3.8619 8.2676 121.2179 66.7960 68.8664 176.3377 96 N 4.5377 8.4147 116.2119 55.0813 38.6452 175.8346 97 Q 4.3089 8.0117 115.8568 54.8260 29.7223 174.6448 98 D 4.4002 7.7519 116.8775 55.5693 40.2863 172.9152 99 K 4.8065 7.6679 115.3931 54.4631 36.7413 176.4358 100 V 4.6136 8.3062 121.7018 60.9745 34.4460 174.2720 101 L 4.6486 8.7380 129.3668 53.3950 44.7747 175.3886 102 R 4.6742 8.0981 124.6059 55.0464 33.5895 175.7997 103 G 3.2388 6.7291 105.5704 46.0501 0.0000 171.9161 104 A 5.3686 8.4599 120.0771 50.5424 23.1522 175.5893 105 E 5.5274 9.7952 117.0790 55.2185 33.7610 173.9686 106 C 5.0778 9.3289 119.6771 58.7746 30.4867 172.7757 107 V 4.7749 9.1601 123.1128 61.2148 34.1151 173.8190 108 E 5.0118 9.1008 127.7714 54.9559 31.5694 175.1698 109 F 4.8626 8.7799 122.8740 56.1289 41.1485 175.3956 110 D 4.6023 9.0749 123.0900 53.5681 41.0838 177.3594 111 R 3.9638 8.8865 126.2472 59.1354 30.3459 178.3034 112 A 4.2288 8.1693 119.5071 53.8011 18.6514 177.8571 113 S 4.5335 7.7547 106.8436 57.1225 64.7882 175.4849 114 G 3.9347 8.8280 108.5989 45.4544 0.0000 172.5628 115 L 4.9150 7.4402 118.9250 52.2305 45.6600 175.7673 116 I 3.7361 8.0945 122.0214 61.3434 37.6932 177.1499 117 R 4.5107 8.8754 122.6772 56.8202 31.9385 175.3959 118 E 5.1933 7.6599 118.4499 55.2409 33.3626 173.8197 119 I 5.0322 8.5586 125.8194 59.5607 41.4687 174.4524 120 R 4.7647 9.2080 125.3774 54.3946 32.7104 174.4136 121 A 5.3548 8.2791 126.1689 50.2248 21.5232 175.6203 122 F 4.8776 9.6517 118.7701 55.9062 43.4741 173.6754 123 Y 5.4590 8.7043 117.3549 55.6016 41.0710 176.2653 124 A 4.3736 8.4279 126.5183 51.6152 17.4149 177.6106 125 S 4.7675 7.4948 115.5494 54.7705 65.8741 171.7966 126 P 4.4967 0.0000 0.0000 62.2890 31.7553 176.0144 127 Q 4.0142 8.4811 118.3704 55.8623 29.0360 176.5930 128 A 4.1743 8.4660 126.2122 51.7971 18.8114 177.0314 129 E 4.0390 8.7682 122.5029 57.3862 30.1908 177.4710 130 G 4.0085 8.7175 109.5895 46.4548 0.0000 172.9560 131 I 4.3253 7.0328 120.6814 58.8943 38.4210 175.8990 132 A 4.0575 8.7901 129.2094 54.3231 18.4905 177.2771 133 R 4.3719 7.7854 114.1037 54.5646 32.1430 175.3004 134 L 4.6831 8.3820 124.6748 53.3280 42.0580 175.3656 135 E 4.7879 8.1347 121.3398 54.5569 33.7197 174.0399 136 L 4.5171 8.9273 120.4523 54.3794 42.3784 178.1494 137 G 3.6649 9.0893 113.1395 46.8856 0.0000 174.2294 138 D 4.6796 8.9324 121.6639 54.3786 38.8738 173.5890 139 F 3.8119 7.6132 121.0720 57.4970 40.2309 176.5084 140 D 4.4180 7.0017 128.3912 52.6623 38.1525 175.7033 141 Y 3.9197 7.6964 121.9266 60.7111 38.5459 177.9115 142 A 4.1491 8.1511 120.9934 55.3678 18.4140 179.8598 143 G 3.8872 8.1119 103.2472 46.7236 0.0000 174.9806 144 R 4.4106 7.8428 118.0346 55.9548 30.4019 177.2872 145 G 4.0200 7.9420 107.1865 45.6596 0.0000 173.5901 146 Y 4.4130 8.0363 116.8301 57.0471 38.7221 175.9137 147 R 4.1816 8.5060 121.6655 56.5397 30.8956 176.7036 148 V 4.1964 8.4550 120.3347 63.3741 33.3559 175.7635 149 T 4.6764 7.4476 107.1121 58.8778 71.6631 173.4095 150 S 4.0995 8.5179 116.9257 58.2578 62.6346 173.6020 151 P 4.3581 0.0000 0.0000 65.0665 31.2242 177.5211 152 R 4.1102 7.8730 116.2572 57.4318 30.3353 176.5483 153 K 4.3967 7.7313 118.4166 54.0446 33.0437 174.9363 154 P 4.2810 0.0000 0.0000 63.0294 31.9122 176.1749 155 A 4.2618 8.3084 123.6136 52.4472 19.2674 175.7640 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 0 G 8.35 3.73 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 0.00 0.00 0.00 *2 T 8.24 3.95 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 3 A 8.59 4.07 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 4 P 0.00 4.27 0.00 2.19 2.00 0.00 3.68 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 2.14 2.12 0.00 5 T 8.24 4.31 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 1.19 0.00 0.00 6 L 8.23 4.20 0.00 1.46 1.40 0.80 0.98 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 7 S 8.25 4.30 0.00 3.93 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 8 R 8.63 3.88 0.00 1.75 1.97 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 9 A 8.13 4.04 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 10 A 8.10 4.16 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 *12 E 8.26 4.30 0.00 2.03 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 0.00 2.28 2.35 0.00 13 K 8.27 3.98 0.00 1.99 1.86 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.58 7.81 14 V 7.76 3.65 2.36 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 1.08 0.00 0.00 1.06 0.00 0.00 15 I 7.89 3.90 2.11 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.80 0.98 0.00 0.00 16 R 8.41 4.03 0.00 1.88 2.01 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 17 T 8.20 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 Y 8.30 4.22 0.00 2.79 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 19 Y 8.27 3.26 0.00 2.96 2.88 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 20 D 8.53 4.45 0.00 2.88 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 21 G 8.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.99 3.88 0.00 2.40 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 0.00 0.00 0.00 23 N 7.88 4.41 0.00 2.51 2.57 0.00 0.00 7.16 7.27 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 24 E 8.30 4.25 0.00 2.01 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 2.36 2.40 0.00 25 A 7.71 3.72 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.90 4.78 0.00 2.67 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 27 E 8.75 4.12 0.00 2.09 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 2.59 2.35 0.00 28 A 8.23 4.01 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 29 K 8.46 4.15 0.00 1.95 1.96 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 *31 I 7.86 4.35 2.10 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 1.35 1.15 0.94 0.00 0.00 32 A 7.92 4.23 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 33 C 7.63 4.33 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 7.60 5.24 0.00 2.96 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 V 8.30 3.88 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 0.80 0.00 0.00 1.03 0.00 0.00 36 P 0.00 4.22 0.00 2.16 2.10 0.00 3.59 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 2.12 2.09 0.00 37 E 8.03 4.38 0.00 2.04 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 2.23 2.23 0.00 38 A 7.85 4.65 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 39 V 8.24 4.56 1.88 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 0.11 0.00 0.00 0.89 0.00 0.00 40 H 8.56 5.03 0.00 3.05 2.74 0.00 5.60 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.69 4.82 0.00 2.61 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 42 F 8.25 5.03 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.45 0.00 1.70 1.86 0.00 3.18 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.67 0.00 44 A 8.54 3.93 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 45 G 8.40 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 *47 Y 7.66 4.68 0.00 2.76 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 48 G 8.91 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 0.00 0.00 0.00 49 G 7.11 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.59 4.38 1.04 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 0.00 0.00 51 F 9.00 4.78 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.48 4.43 0.00 1.61 1.82 0.00 3.14 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 53 G 9.08 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.84 3.43 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 55 A 7.79 3.89 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 56 Q 7.72 3.71 0.00 2.20 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 57 I 7.42 3.27 1.54 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.84 0.00 0.00 58 A 7.85 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.04 4.68 0.00 3.22 3.14 0.00 5.83 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 60 R 7.59 3.59 0.00 0.71 1.03 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.15 0.00 61 W 7.86 4.86 0.00 3.25 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.33 3.98 0.00 1.97 2.10 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 63 T 8.03 3.82 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 1.15 0.00 0.00 64 A 8.13 4.04 1.67 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 65 V 8.14 3.66 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 1.09 0.00 0.00 1.31 0.00 0.00 66 E 8.13 4.01 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 2.37 2.49 0.00 67 T 8.10 4.27 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 1.23 0.00 0.00 68 L 8.47 4.56 0.00 1.77 1.70 0.97 0.77 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 69 G 7.82 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 0.00 0.00 0.00 70 S 8.04 4.15 0.00 3.35 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 71 Y 8.57 4.68 0.00 2.95 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 72 W 9.71 6.18 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 73 T 8.85 4.95 4.48 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 1.67 0.00 0.00 74 I 8.44 4.25 1.77 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.81 0.00 0.00 75 D 9.36 4.83 0.00 2.65 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 76 A 7.70 4.75 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 77 L 8.43 4.98 0.00 1.58 1.51 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 V 9.12 4.42 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 1.01 0.00 0.00 0.95 0.00 0.00 79 I 8.46 4.76 1.86 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 1.26 0.82 0.86 0.00 0.00 80 D 9.14 4.83 0.00 2.69 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 81 A 8.63 4.11 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 82 E 8.36 4.07 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 83 T 8.05 4.27 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 1.23 0.00 0.00 84 A 7.99 3.73 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.79 5.49 0.00 1.95 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 2.39 2.59 0.00 86 A 9.40 5.38 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 87 A 9.28 5.27 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 88 I 8.95 5.05 2.21 0.00 0.00 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 1.20 0.93 0.98 0.00 0.00 89 E 9.16 4.94 0.00 2.04 1.90 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 2.14 2.12 0.00 90 W 8.65 5.87 0.00 3.76 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 91 T 9.21 5.15 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 0.07 0.00 0.00 92 H 9.82 4.63 0.00 3.16 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.02 4.56 0.00 3.14 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 94 K 8.73 4.71 0.00 1.74 1.79 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.07 7.81 95 T 8.27 3.86 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 1.16 0.00 0.00 96 N 8.41 4.54 0.00 2.77 2.87 0.00 0.00 7.05 7.26 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 97 Q 8.01 4.31 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 98 D 7.75 4.40 0.00 2.76 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 99 K 7.67 4.81 0.00 1.67 1.60 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.61 7.81 100 V 8.31 4.61 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 0.49 0.00 0.00 1.07 0.00 0.00 101 L 8.74 4.65 0.00 1.64 1.42 0.56 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.10 4.67 0.00 1.60 1.55 0.00 3.11 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 103 G 6.73 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.46 5.37 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 0.00 105 E 9.80 5.53 0.00 2.32 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 106 C 9.33 5.08 0.00 3.06 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 0.00 107 V 9.16 4.77 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.03 0.00 0.00 108 E 9.10 5.01 0.00 1.97 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 0.00 2.33 2.34 0.00 109 F 8.78 4.86 0.00 3.11 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 0.00 110 D 9.07 4.60 0.00 2.82 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 0.00 111 R 8.89 3.96 0.00 1.87 2.10 0.00 3.29 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 112 A 8.17 4.23 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 0.00 113 S 7.75 4.53 0.00 4.01 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 0.00 114 G 8.83 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 0.00 115 L 7.44 4.91 0.00 1.57 1.66 0.98 0.84 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 0.00 116 I 8.09 3.74 1.09 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.03 0.69 0.00 0.00 117 R 8.88 4.51 0.00 1.85 2.16 0.00 2.84 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 118 E 7.66 5.19 0.00 2.11 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 2.44 2.74 0.00 119 I 8.56 5.03 1.38 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 1.16 0.46 0.77 0.00 0.00 120 R 9.21 4.76 0.00 1.75 1.56 0.00 2.21 0.00 0.00 2.92 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 121 A 8.28 5.35 1.54 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 0.00 0.00 122 F 9.65 4.88 0.00 3.08 2.97 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 0.00 123 Y 8.70 5.46 0.00 2.88 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 0.00 124 A 8.43 4.37 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 0.00 125 S 7.49 4.77 0.00 3.91 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 0.00 126 P 0.00 4.50 0.00 2.23 2.06 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 127 Q 8.48 4.01 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 128 A 8.47 4.17 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 0.00 129 E 8.77 4.04 0.00 2.15 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 0.00 2.40 1.88 0.00 130 G 8.72 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 0.00 131 I 7.03 4.33 1.88 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 1.41 0.96 0.95 0.00 0.00 132 A 8.79 4.06 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 0.00 133 R 7.79 4.37 0.00 1.75 1.80 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 134 L 8.38 4.68 0.00 1.52 1.66 0.96 0.92 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 0.00 135 E 8.13 4.79 0.00 1.85 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 2.26 2.46 0.00 136 L 8.93 4.52 0.00 1.45 1.58 0.27 0.32 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 0.00 137 G 9.09 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 0.00 138 D 8.93 4.68 0.00 3.04 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 0.00 139 F 7.61 3.81 0.00 2.33 2.28 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 0.00 140 D 7.00 4.42 0.00 2.56 2.07 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 0.00 141 Y 7.70 3.92 0.00 3.08 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 0.00 142 A 8.15 4.15 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 0.00 143 G 8.11 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 0.00 144 R 7.84 4.41 0.00 1.79 2.17 0.00 3.32 0.00 0.00 3.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.00 145 G 7.94 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 0.00 146 Y 8.04 4.41 0.00 3.38 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.51 4.18 0.00 1.84 1.89 0.00 3.36 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 148 V 8.45 4.20 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 0.87 0.00 0.00 1.08 0.00 0.00 149 T 7.45 4.68 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 0.00 150 S 8.52 4.10 0.00 3.87 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 0.00 151 P 0.00 4.36 0.00 2.07 2.10 0.00 3.72 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 2.11 0.00 152 R 7.87 4.11 0.00 1.82 1.98 0.00 3.14 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 153 K 7.73 4.40 0.00 1.88 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.40 7.81 154 P 0.00 4.28 0.00 2.04 2.00 0.00 3.62 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 2.03 2.10 0.00 155 A 8.31 4.26 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 * Residues marked with a * may have inaccurate shift predictions.