NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0769 8.0932 114.7796 57.8693 64.5536 174.0564 2 L 3.9344 7.9585 118.2374 56.8650 41.1724 179.0222 3 F 4.2594 8.8403 122.5641 61.1921 39.6275 176.7780 4 E 3.6532 7.9507 117.6577 59.1688 29.3341 178.5754 5 L 4.0660 7.7554 120.3288 58.4621 41.9930 179.2738 6 G 3.6433 8.1671 105.3715 47.7691 0.0000 175.4327 7 K 3.8453 7.6327 121.3711 59.2684 32.1668 178.9491 8 M 3.9506 8.0144 119.3565 58.2772 31.7921 178.7284 9 I 3.5854 7.7372 119.9844 64.2105 37.0761 178.2795 10 L 4.1747 7.4862 122.5284 57.7554 41.6979 179.0298 11 Q 3.6141 7.5587 116.9485 58.5857 28.4811 178.4417 12 E 4.3024 7.9523 118.8586 59.6262 29.9967 178.8762 13 T 4.1908 8.3074 109.9603 63.7915 69.0108 176.4330 *15 G 4.1430 7.6172 107.1106 44.4669 0.0000 172.0772 16 K 4.5098 7.6340 119.3266 53.8950 34.8622 175.1307 17 N 4.4425 8.4245 119.3929 52.7337 39.6806 173.5135 18 P 4.4577 0.0000 0.0000 66.2190 31.3135 177.9892 19 A 4.0123 8.0834 120.8779 54.5381 18.0636 178.9520 20 K 3.8579 8.0448 115.8511 60.1246 32.4055 178.5916 21 S 4.8205 7.9192 115.4315 59.5130 62.9811 174.5535 22 Y 4.9394 8.3155 116.1998 57.0904 39.2856 176.5532 23 G 3.8470 8.5215 111.0326 48.4744 0.0000 175.4376 24 A 4.4303 7.5028 121.3337 51.4214 19.8795 175.2413 25 Y 4.2259 7.9221 121.9321 60.1524 40.1067 176.3176 26 G 3.4954 7.7260 115.1263 47.1621 0.0000 174.5312 27 C 4.7373 9.2785 118.5676 57.1187 41.0408 173.9725 28 N 4.6359 8.6822 115.4074 53.1298 40.4919 173.8243 29 C 4.5589 8.7004 116.4376 58.9295 40.1621 172.4418 30 G 3.7185 8.1107 114.8841 43.8941 0.0000 171.9828 31 V 3.9527 8.4268 121.1145 64.9205 32.1258 178.3554 *32 L 4.1222 7.9204 119.3439 54.5886 41.0144 183.6132 33 G 3.9430 7.6316 111.7343 46.1520 0.0000 174.1226 34 R 4.6105 8.2145 118.0612 55.4485 31.7435 175.2023 35 G 4.1492 9.2618 107.2682 45.9075 0.0000 174.0086 *36 Q 4.2494 8.8375 121.9293 55.2584 28.4157 176.2240 37 P 4.5153 0.0000 0.0000 62.6278 31.2168 176.6991 38 K 4.1493 8.6807 120.6168 56.9182 33.1094 175.5605 39 D 4.3845 7.3968 116.1640 51.8417 42.0896 176.0123 40 A 3.9738 8.4418 119.9813 56.0229 17.7135 179.4954 41 T 3.7704 8.0397 113.4157 67.1959 68.6846 175.9998 42 D 4.4747 8.7476 119.5163 57.4062 41.1452 178.2573 43 R 3.9242 8.1284 119.3369 59.3668 29.9343 177.7428 44 C 4.2425 8.0417 116.3152 60.4856 41.4175 175.6412 45 C 4.0955 7.9237 117.0390 59.7814 38.7306 175.7063 46 Y 3.9288 7.8553 120.9925 60.7687 38.4502 177.9971 47 V 3.6128 8.1431 119.2725 66.1555 31.5661 177.3367 48 H 3.9980 8.4668 118.2351 59.3854 29.5392 177.5081 49 K 3.7372 7.9846 120.0697 59.4262 31.5367 178.7811 50 C 4.2007 7.6802 116.3200 59.7171 40.1101 174.9075 51 C 4.3653 7.9630 119.7661 59.9136 37.8227 174.8842 52 Y 4.2812 7.9827 118.4155 60.9540 37.3072 178.3271 53 K 4.0187 7.8794 119.8533 58.6686 32.0788 178.1575 *57 K 4.6056 7.6926 115.5926 55.9216 33.8910 175.5459 58 L 4.1411 7.7136 120.3235 54.3466 41.9895 176.3528 59 T 4.3691 8.6300 113.8590 62.1826 69.9798 174.1773 60 G 4.0794 9.7328 115.1572 45.0094 0.0000 171.3975 61 C 5.1413 7.5545 112.3998 52.4711 46.0596 172.5730 *67 D 4.7333 8.3119 118.6579 53.5930 41.6039 174.5724 68 P 4.1076 0.0000 0.0000 65.2285 31.6073 179.0243 69 K 3.9984 9.5872 119.2914 59.3267 32.4420 179.4087 70 K 4.0057 8.2378 116.1842 59.0704 32.4227 177.5166 71 D 4.3470 8.0738 120.0513 54.8509 40.9033 176.6683 72 R 4.3901 8.5876 122.7963 54.7133 31.6192 174.7264 73 Y 4.9431 7.2740 116.3153 56.1313 41.1883 173.8853 74 S 5.1122 10.0578 117.6258 57.7208 64.7329 173.2844 75 Y 5.3722 8.2855 120.0637 56.3158 40.4685 173.3554 76 S 4.5514 9.2686 115.0944 56.4130 67.1513 172.7951 77 W 5.1462 8.7983 130.8877 55.6987 31.3114 173.5303 78 K 4.3301 8.6997 125.6778 55.2899 33.2261 176.8882 79 D 4.5484 9.2171 125.1068 55.6020 38.3304 173.3841 80 K 2.0000 7.0598 109.6747 56.9802 30.0934 176.1277 81 T 4.3425 6.4043 112.8436 61.5135 72.1517 173.4927 82 I 4.8020 8.4517 126.7750 61.1972 38.2676 175.5798 83 V 4.3706 9.2705 127.0610 61.0128 33.8950 174.0505 84 C 4.8087 8.9827 125.8783 56.5053 40.8858 174.5852 85 G 4.2438 8.4087 108.7083 45.5393 0.0000 172.1355 86 E 4.8722 8.0695 117.2865 54.5523 32.4840 176.3891 87 N 4.4789 8.5889 119.4960 55.5354 39.8485 175.2781 88 N 4.2627 7.9392 117.7158 53.2348 39.6054 172.9242 *90 P 4.3209 0.0000 0.0000 62.8304 33.6350 179.4135 91 C 4.2406 8.0870 116.9749 59.7387 44.2810 175.4511 92 L 3.8943 7.8407 120.0878 57.2748 41.1524 179.3470 93 K 3.8071 8.3126 120.2924 59.4360 32.1783 178.4802 94 E 3.8444 8.3370 119.9368 59.1336 29.5524 178.4312 95 L 3.8822 8.1627 120.7346 58.3781 42.1552 178.1621 96 C 3.3788 7.6552 118.2333 59.4363 40.3890 175.4259 97 E 3.7768 8.2125 120.2308 59.1419 28.8175 178.7415 98 C 4.3333 8.2714 117.0944 60.1916 35.4684 175.8126 99 D 4.2970 8.1481 120.4578 57.0579 40.3909 178.7563 100 K 3.8434 8.1704 120.0129 59.4495 32.2257 178.6548 101 A 4.0028 7.9458 121.3172 55.2004 18.2176 180.0033 102 V 3.5081 7.5993 117.4283 64.4862 31.5507 178.5486 103 A 3.7731 7.7548 121.2401 55.0508 18.1994 179.6395 104 I 3.7950 7.7071 118.2836 64.5844 37.2082 177.8498 105 C 4.2008 8.0945 119.2569 59.7411 43.2771 175.5479 106 L 3.8167 7.8492 119.5841 57.8331 41.3302 179.2832 107 R 4.0454 7.9225 118.5759 59.4505 29.8472 178.4304 108 E 4.1505 8.3637 117.3087 58.2981 29.5843 177.9982 109 N 4.9875 7.5872 115.2013 53.0405 39.1900 176.6040 110 L 4.3175 7.9083 123.6087 57.4488 41.3737 179.3752 111 G 3.7457 8.1881 107.0096 47.8666 0.0000 174.0444 112 T 4.6787 7.8215 108.5670 61.1516 69.7579 173.2474 113 Y 4.0353 8.1920 126.7170 58.8525 39.4254 175.0463 *114 N 5.0827 8.9218 124.6104 50.0820 39.8812 172.9015 115 K 4.2253 8.7496 124.2229 58.4575 32.3597 179.0540 116 K 4.2628 7.8550 115.3643 57.8676 32.0098 176.6082 117 Y 4.7159 7.4775 116.5510 58.1107 39.7635 178.2621 118 R 3.7913 7.5800 119.2989 59.0833 30.0404 177.8839 119 Y 4.7430 7.5851 113.1543 57.0873 38.9479 175.2704 120 H 3.9382 8.2788 119.1235 56.7565 30.2346 174.6671 121 L 4.2341 8.2828 125.9699 54.1391 40.8914 176.8328 122 K 4.0564 8.7459 125.2878 58.8406 32.3832 177.3821 123 P 4.2060 0.0000 0.0000 64.0764 30.8387 177.5327 *125 F 5.3049 7.7462 116.5023 57.7399 40.7592 175.9653 126 C 4.6771 8.3137 118.3203 56.8572 41.5590 173.6055 127 K 4.4063 8.4381 120.4090 55.4218 34.0382 175.5936 *129 K 4.3558 8.3691 121.9742 56.5406 33.0647 174.8403 130 A 4.7395 8.4267 127.5636 50.4480 20.8221 177.0347 131 D 4.6362 8.4575 120.3447 53.3618 41.6380 174.9671 132 P 4.4778 0.0000 0.0000 62.4803 32.2116 177.1698 133 C 4.3810 8.7263 116.5465 57.6545 41.0669 173.7957 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 S 8.09 5.08 0.00 4.22 4.22 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 0.00 0.00 0.00 0.00 2 L 7.96 3.93 0.00 1.78 1.84 0.98 0.92 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 3 F 8.84 4.26 0.00 3.02 3.03 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 4 E 7.95 3.65 0.00 1.82 1.69 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 1.47 2.34 0.00 5 L 7.76 4.07 0.00 2.06 1.86 0.85 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.17 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 7 K 7.63 3.85 0.00 1.52 1.73 0.00 1.26 0.00 0.00 1.45 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.26 7.81 8 M 8.01 3.95 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 9 I 7.74 3.59 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.79 0.00 0.00 10 L 7.49 4.17 0.00 1.64 1.69 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.56 3.61 0.00 1.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 1.54 2.14 0.00 12 E 7.95 4.30 0.00 2.02 2.02 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 2.48 2.50 0.00 13 T 8.31 4.19 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 1.19 0.00 0.00 *15 G 7.62 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.63 4.51 0.00 1.85 1.58 0.00 1.30 0.00 0.00 1.11 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.25 7.81 17 N 8.42 4.44 0.00 2.83 2.70 0.00 0.00 6.65 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 18 P 0.00 4.46 0.00 2.36 2.35 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 19 A 8.08 4.01 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 20 K 8.04 3.86 0.00 1.79 2.01 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.63 7.81 21 S 7.92 4.82 0.00 3.06 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.32 4.94 0.00 3.03 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 23 G 8.52 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 0.00 0.00 0.00 24 A 7.50 4.43 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.92 4.23 0.00 3.16 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 26 G 7.73 3.50 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 0.00 0.00 0.00 27 C 9.28 4.74 0.00 3.02 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 N 8.68 4.64 0.00 3.04 2.89 0.00 0.00 6.96 7.99 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 29 C 8.70 4.56 0.00 3.45 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 30 G 8.11 3.72 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 0.00 0.00 0.00 31 V 8.43 3.95 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 0.98 0.00 0.00 0.98 0.00 0.00 *32 L 7.92 4.12 0.00 1.71 1.52 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.63 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 34 R 8.21 4.61 0.00 1.82 2.04 0.00 2.64 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 35 G 9.26 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 Q 8.84 4.25 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 37 P 0.00 4.52 0.00 1.96 1.98 0.00 3.47 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 38 K 8.68 4.15 0.00 1.24 1.39 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.11 1.01 7.81 39 D 7.40 4.38 0.00 2.88 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 40 A 8.44 3.97 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 41 T 8.04 3.77 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 0.91 0.00 0.00 42 D 8.75 4.47 0.00 3.10 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.13 3.92 0.00 2.02 2.13 0.00 3.07 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 44 C 8.04 4.24 0.00 3.13 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 45 C 7.92 4.10 0.00 3.20 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 46 Y 7.86 3.93 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.14 3.61 2.26 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 1.03 0.00 0.00 1.06 0.00 0.00 48 H 8.47 4.00 0.00 3.18 3.31 0.00 5.66 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 49 K 7.98 3.74 0.00 1.78 1.71 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.54 7.81 50 C 7.68 4.20 0.00 2.99 3.04 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 51 C 7.96 4.37 0.00 3.09 3.28 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 52 Y 7.98 4.28 0.00 3.12 2.89 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 53 K 7.88 4.02 0.00 1.79 1.97 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 *57 K 7.69 4.61 0.00 1.94 1.88 0.00 1.85 0.00 0.00 0.84 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.56 7.81 58 L 7.71 4.14 0.00 1.74 1.55 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.63 4.37 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 1.26 0.00 0.00 60 G 9.73 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 0.00 0.00 0.00 61 C 7.55 5.14 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 D 8.31 4.73 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.11 0.00 1.68 0.58 0.00 3.46 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 1.46 1.53 0.00 69 K 9.59 4.00 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.41 7.81 70 K 8.24 4.01 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 71 D 8.07 4.35 0.00 2.91 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.59 4.39 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 73 Y 7.27 4.94 0.00 3.02 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 74 S 10.06 5.11 0.00 3.96 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 75 Y 8.29 5.37 0.00 3.17 3.06 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 76 S 9.27 4.55 0.00 3.86 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 77 W 8.80 5.15 0.00 3.28 2.94 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 78 K 8.70 4.33 0.00 1.80 1.64 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.39 7.81 79 D 9.22 4.55 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.06 2.00 0.00 1.55 1.51 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.26 7.81 81 T 6.40 4.34 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 1.15 0.00 0.00 82 I 8.45 4.80 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.92 1.02 0.00 0.00 83 V 9.27 4.37 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 1.10 0.00 0.00 0.99 0.00 0.00 84 C 8.98 4.81 0.00 2.99 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 85 G 8.41 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 0.00 0.00 0.00 0.00 86 E 8.07 4.87 0.00 1.95 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 0.00 2.48 2.28 0.00 87 N 8.59 4.48 0.00 2.69 2.84 0.00 0.00 6.98 7.79 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 88 N 7.94 4.26 0.00 2.86 2.71 0.00 0.00 7.20 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 *90 P 0.00 4.32 0.00 2.23 2.11 0.00 3.71 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 2.00 2.07 0.00 91 C 8.09 4.24 0.00 3.05 3.06 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 92 L 7.84 3.89 0.00 1.91 1.74 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.31 3.81 0.00 1.85 2.00 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 94 E 8.34 3.84 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 95 L 8.16 3.88 0.00 1.76 1.78 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.66 3.38 0.00 1.97 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 97 E 8.21 3.78 0.00 2.12 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 2.44 2.45 0.00 98 C 8.27 4.33 0.00 3.36 3.30 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 99 D 8.15 4.30 0.00 2.90 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 0.00 100 K 8.17 3.84 0.00 1.77 1.90 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.48 7.81 101 A 7.95 4.00 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 0.00 102 V 7.60 3.51 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 0.62 0.00 0.00 0.76 0.00 0.00 103 A 7.75 3.77 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 0.00 104 I 7.71 3.80 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 1.55 0.66 0.91 0.00 0.00 105 C 8.09 4.20 0.00 3.12 3.19 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 0.00 106 L 7.85 3.82 0.00 1.46 1.24 0.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.92 4.05 0.00 1.90 2.08 0.00 3.14 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 E 8.36 4.15 0.00 2.11 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 2.35 2.66 0.00 109 N 7.59 4.99 0.00 2.74 2.82 0.00 0.00 6.84 6.95 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 0.00 110 L 7.91 4.32 0.00 1.78 1.74 1.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.19 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 0.00 112 T 7.82 4.68 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 1.24 0.00 0.00 113 Y 8.19 4.04 0.00 3.01 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 *114 N 8.92 5.08 0.00 2.61 2.65 0.00 0.00 6.70 6.69 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 0.00 115 K 8.75 4.23 0.00 1.86 2.00 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.83 1.64 7.81 116 K 7.85 4.26 0.00 1.43 1.78 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.30 7.81 117 Y 7.48 4.72 0.00 2.03 1.63 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 0.00 118 R 7.58 3.79 0.00 1.89 1.35 0.00 3.25 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 119 Y 7.59 4.74 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 0.00 120 H 8.28 3.94 0.00 3.04 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.28 4.23 0.00 1.99 1.58 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.75 4.06 0.00 1.82 1.89 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.16 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.58 1.49 7.81 123 P 0.00 4.21 0.00 1.91 2.13 0.00 3.58 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 1.69 1.81 0.00 *125 F 7.75 5.30 0.00 3.25 3.04 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 0.00 126 C 8.31 4.68 0.00 2.94 3.04 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 0.00 127 K 8.44 4.41 0.00 1.71 1.75 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.44 7.81 *129 K 8.37 4.36 0.00 1.81 1.77 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 130 A 8.43 4.74 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.46 4.64 0.00 2.79 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 0.00 132 P 0.00 4.48 0.00 2.19 2.07 0.00 3.82 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 2.02 2.01 0.00 133 C 8.73 4.38 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.