NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1038 8.2549 120.8472 55.8770 31.9242 175.3754 2 Y 4.5031 7.6694 113.4447 55.7956 40.0868 173.4149 3 H 4.8009 10.0558 124.9311 54.9894 31.8711 173.4041 4 L 4.9944 8.3329 126.4186 53.7739 42.8388 176.1611 5 R 4.6612 8.5106 118.7427 54.1623 33.2764 172.6890 6 P 5.0803 0.0000 0.0000 61.3281 32.0219 174.9409 7 P 4.6017 0.0000 0.0000 62.8897 32.3277 175.9624 8 R 4.5987 8.8866 119.3207 54.2565 31.9671 177.9287 9 R 3.9054 8.5403 115.9738 59.1728 29.2543 177.2001 10 N 4.7063 7.9996 113.2450 53.1072 37.7309 175.6452 11 D 4.6692 8.3734 118.9959 55.2357 40.8537 178.1941 12 G 3.5897 7.9785 107.4979 47.7626 0.0000 175.5903 13 A 3.9357 7.9175 122.4942 54.8460 18.5246 179.4207 14 A 3.8681 7.8418 118.7910 55.2857 18.4045 179.7953 15 I 3.2472 7.6894 118.4070 64.4504 37.0569 177.9426 16 H 3.2468 7.9900 119.2903 59.0734 29.3691 176.4966 17 Q 3.8620 7.7522 119.9889 59.4809 29.1755 178.3751 18 L 4.0185 7.7818 120.6731 58.2116 42.1901 179.1850 19 V 3.5151 7.6896 118.6574 65.8726 31.1742 178.1152 20 S 4.1197 7.8154 113.0635 60.7555 62.7826 175.3137 21 E 4.4432 7.5803 119.4014 55.8608 30.8907 175.9871 22 C 4.8718 7.7768 116.9389 57.7049 28.4597 172.1688 23 P 4.6244 0.0000 0.0000 62.6999 31.8027 174.5448 24 P 4.7939 0.0000 0.0000 62.5576 31.7179 175.7184 25 L 4.0808 7.5726 118.9309 55.5629 41.9891 177.1722 26 D 4.3710 8.6791 122.8378 54.4357 41.3139 175.9486 27 L 4.4512 8.3103 125.4812 53.4675 41.8424 175.7727 28 N 4.8441 8.6299 124.4860 52.0003 39.8190 175.4206 29 S 4.4597 8.3366 113.3044 58.1040 63.9900 174.9913 30 L 4.1438 8.6866 123.2588 58.7329 41.6664 178.5706 31 Y 4.1214 8.2132 118.6446 60.6452 38.6206 177.6820 32 A 3.8718 8.0464 121.6278 55.6600 18.4501 179.3372 33 Y 3.9777 7.2137 113.4830 60.9929 37.7915 178.5733 34 L 3.9770 8.1153 120.1183 57.8149 41.6703 179.6029 35 L 3.6891 7.8529 119.1265 57.5009 41.4176 179.4206 36 L 4.1750 7.9073 119.0070 58.2585 41.4032 179.4665 37 C 4.2164 7.9524 115.3742 62.7407 28.1008 175.5085 38 E 4.0694 8.2570 120.3037 58.8090 29.3222 177.5596 39 H 4.9661 8.2805 113.8106 55.8453 30.8656 174.7074 40 H 4.9689 8.2564 116.5897 55.2818 29.8533 175.4260 41 A 4.1337 8.4234 126.0998 55.6223 18.2355 180.3734 42 H 4.4113 8.5005 109.8535 57.8956 28.6989 175.8546 43 T 4.6020 8.0902 109.5970 61.4496 70.1786 173.1780 44 C 5.3161 8.1985 119.9252 58.3987 32.4648 173.0453 45 V 4.8996 8.2964 118.3976 60.6330 34.7786 174.0857 46 V 5.0326 9.1662 115.6149 59.6184 35.6548 174.4288 47 A 5.0358 8.6623 125.1947 50.4128 21.0582 175.0842 48 E 5.2227 9.1688 124.8103 54.6608 32.0720 176.2719 49 S 4.4557 9.3134 122.1250 56.8541 64.2613 173.2571 50 P 4.1269 0.0000 0.0000 65.8031 30.9517 177.9534 51 G 3.7144 7.9400 103.5590 45.8734 0.0000 174.0800 52 G 3.9184 8.2544 107.9082 45.2576 0.0000 174.0047 53 R 4.1304 7.9547 119.2147 55.3966 30.8206 176.0526 54 I 4.6788 8.1819 123.2100 60.7915 37.0506 175.1315 55 D 4.8626 8.9587 125.4248 54.0562 42.5344 176.5424 56 G 4.3841 7.6544 105.3090 44.8237 0.0000 171.5458 57 F 5.5815 9.0654 123.2107 56.7653 43.6582 173.0284 58 V 4.4942 8.1513 125.2550 60.8128 34.6499 174.0394 59 S 4.9121 7.8734 122.1108 56.9400 65.1044 172.9368 60 A 5.1240 8.0620 123.6219 51.9694 22.6351 174.7643 61 Y 5.0011 8.1288 115.4710 56.5743 41.6092 174.1535 62 L 4.7292 8.6794 121.1594 54.5747 42.9709 176.9157 63 L 4.3246 8.7466 123.4179 53.9810 42.0789 176.4039 64 P 4.3097 0.0000 0.0000 65.6899 31.3771 177.4925 65 T 4.3195 7.7928 105.4807 62.7765 69.9086 175.4301 66 R 4.6897 7.6234 121.3722 53.9605 31.1149 173.7154 67 P 4.5509 0.0000 0.0000 64.6481 32.0009 177.6074 68 D 4.8774 8.1416 118.3953 53.8770 40.9573 175.4112 69 V 4.8314 8.0409 121.0691 61.3393 33.9813 173.9286 70 L 4.8714 8.8108 130.8445 53.9624 43.6345 174.7488 71 F 4.7245 9.1193 130.0758 57.0093 40.8818 174.3141 72 V 4.1932 7.5242 127.3069 61.6038 31.7656 174.8700 73 W 4.7780 9.4239 135.0000 59.1872 30.6916 175.6779 74 Q 4.7625 8.6933 118.0562 53.8590 32.3741 174.0903 75 V 4.6765 8.5100 121.8691 61.0723 33.9048 174.2716 76 A 4.7905 9.2386 130.3011 50.0444 21.7416 174.8252 77 V 4.5931 8.1925 121.8049 60.9263 34.2270 174.7687 78 H 4.2890 9.4389 128.9658 56.0384 30.7570 176.1451 79 S 4.1318 8.6364 119.6534 61.8612 62.3022 177.0164 80 R 4.0882 8.3502 117.4548 58.0609 29.3821 177.3963 81 A 4.6636 7.9727 119.9546 51.2638 19.7559 177.3264 82 R 3.9744 7.1057 117.0075 57.1934 30.7319 176.8527 83 G 3.8705 8.9543 108.3650 46.4325 0.0000 173.5793 84 H 4.8574 8.0006 112.6894 54.2529 30.1263 173.7955 85 R 3.7490 8.0083 117.6380 56.9749 27.7412 178.2867 86 L 3.8975 8.0978 120.2017 58.0007 42.7103 177.8861 87 G 3.6982 8.1492 106.6637 48.6745 0.0000 174.1386 88 R 3.7678 8.1599 120.6041 58.9700 30.0657 178.8224 89 A 4.0150 7.9730 116.6272 53.2618 18.2262 178.9017 *91 L 4.0792 8.1390 120.2236 56.0875 43.8144 179.4826 92 G 3.5661 8.0378 105.0919 48.0883 0.0000 174.7875 93 H 3.9924 8.1300 119.9425 59.0819 30.0724 176.9569 94 I 3.7917 7.6088 120.6709 64.4318 36.8582 177.9698 95 L 3.9083 7.6718 119.5527 57.8027 41.8230 177.8811 96 E 4.3632 7.5552 115.3184 55.5671 30.1453 176.6985 97 R 4.2421 7.3269 119.7984 55.3200 31.2864 177.6966 98 Q 3.9605 8.5772 118.4043 59.2360 28.7691 178.6634 99 E 4.0269 8.2324 117.1314 58.8322 29.7799 177.2104 100 C 4.6649 8.1924 115.8457 59.2554 28.3287 175.7710 101 R 3.5694 7.7164 118.4971 58.6443 28.8798 177.0954 102 H 4.7635 7.7933 113.3252 55.1738 29.3655 174.5008 103 V 3.9184 7.7958 121.4023 63.1348 31.6736 175.3733 104 R 4.8171 9.1473 127.3719 57.0262 32.4342 175.0450 105 H 5.6446 8.1745 114.2575 54.2216 33.7650 172.0433 106 L 5.3002 9.3584 120.9996 53.2531 44.4055 175.4963 107 E 5.1611 8.7186 121.4924 55.2479 33.7532 174.6594 108 T 3.6333 8.0274 115.7797 61.4852 71.5048 171.7202 109 T 4.8277 8.0534 113.4684 59.8241 71.5240 173.5037 110 V 4.3329 7.7754 114.3637 60.2001 36.2447 176.5025 *115 Q 4.2511 8.7273 119.9312 56.1844 30.4932 178.0564 116 A 4.0609 7.8576 120.1515 55.0294 18.7028 178.9402 117 S 4.4459 8.0656 108.5323 59.1546 63.7010 175.6515 118 R 3.9286 8.0931 122.5836 60.0088 29.4269 178.0220 119 R 4.0073 7.8913 118.5175 59.2670 30.0421 178.5603 120 T 3.7448 8.0960 116.0547 66.6621 68.3674 176.6805 121 F 4.0448 8.1740 118.9266 60.4671 39.0444 177.5617 122 A 4.1594 8.2491 120.4889 54.8271 17.6186 179.9278 123 G 3.5341 8.3608 104.5890 47.8501 0.0000 175.4955 124 L 3.9583 8.4136 123.4576 57.7152 42.0977 178.8307 125 A 4.2411 8.4494 120.9404 55.1779 18.3671 179.5051 126 G 3.7349 8.1440 104.2087 48.3307 0.0000 175.4463 127 E 4.1317 7.7750 119.7334 58.0718 29.6631 178.0289 128 R 4.5815 7.4608 114.1730 55.1450 30.5063 176.8938 129 G 3.7471 7.4796 104.6222 46.0021 0.0000 173.7931 130 A 4.4057 7.6152 121.8864 50.7603 20.8424 175.9704 131 H 5.0100 8.7620 114.2569 53.9294 32.6858 172.4677 132 V 4.9961 8.4136 117.8580 61.0757 33.4246 174.5965 133 S 4.9860 9.2132 122.2773 56.5391 66.4286 172.6684 134 E 5.3206 8.7126 119.9815 54.7491 32.3044 175.1798 135 Q 4.6875 8.9348 120.8681 53.6401 32.2172 173.1377 136 P 4.4159 0.0000 0.0000 63.0588 32.1386 175.3584 137 F 4.5126 8.6649 122.8690 59.6105 41.0342 175.4766 *150 D 4.4366 7.7494 117.5682 54.2376 42.0866 174.6207 151 E 5.1405 8.2114 121.8863 53.6224 33.6546 173.6784 *153 L 4.3799 8.2242 120.9449 55.6631 43.6562 176.0989 154 L 4.9455 8.6254 127.1041 53.5160 43.6631 175.6291 155 R 5.0760 8.9968 123.8898 54.5358 33.1928 174.0236 156 I 4.9658 10.0670 127.0493 58.3744 40.9226 175.8299 157 G 3.4152 7.5173 111.9004 45.5246 0.0000 169.6540 158 P 4.8885 0.0000 0.0000 62.3529 32.5428 175.7170 159 F 4.8489 8.5845 119.1388 55.9440 41.3959 175.4716 160 T 4.6910 8.3596 119.6898 62.1634 71.2737 174.0679 161 H 4.5082 8.7592 120.5638 56.0152 29.0464 174.7136 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 R 8.25 4.10 0.00 1.65 1.73 0.00 3.07 0.00 0.00 2.51 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.53 0.00 2 Y 7.67 4.50 0.00 2.99 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 3 H 10.06 4.80 0.00 3.21 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.33 4.99 0.00 1.24 1.21 0.84 0.85 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 5 R 8.51 4.66 0.00 1.86 1.90 0.00 2.82 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 6 P 0.00 5.08 0.00 2.01 2.28 0.00 3.76 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 7 P 0.00 4.60 0.00 2.25 2.18 0.00 4.01 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 2.10 2.21 0.00 8 R 8.89 4.60 0.00 1.88 1.89 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 9 R 8.54 3.91 0.00 2.05 2.08 0.00 3.03 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 10 N 8.00 4.71 0.00 2.83 2.95 0.00 0.00 6.07 8.06 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 11 D 8.37 4.67 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.98 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.92 3.94 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 14 A 7.84 3.87 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 15 I 7.69 3.25 1.50 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.46 -0.68 0.00 0.00 16 H 7.99 3.25 0.00 3.15 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.75 3.86 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 18 L 7.78 4.02 0.00 1.71 1.62 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.69 3.52 1.74 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 0.94 0.00 0.00 0.55 0.00 0.00 20 S 7.82 4.12 0.00 4.01 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 21 E 7.58 4.44 0.00 2.11 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 2.28 2.42 0.00 22 C 7.78 4.87 0.00 2.91 2.80 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 23 P 0.00 4.62 0.00 2.17 2.05 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 24 P 0.00 4.79 0.00 2.21 2.17 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 25 L 7.57 4.08 0.00 1.68 1.68 0.92 1.06 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 26 D 8.68 4.37 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 27 L 8.31 4.45 0.00 1.58 1.64 0.71 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.63 4.84 0.00 2.46 2.70 0.00 0.00 7.04 7.06 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 29 S 8.34 4.46 0.00 4.10 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 30 L 8.69 4.14 0.00 1.61 1.73 0.90 0.74 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 31 Y 8.21 4.12 0.00 2.99 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 32 A 8.05 3.87 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.21 3.98 0.00 3.15 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 34 L 8.12 3.98 0.00 1.68 1.63 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.85 3.69 0.00 1.66 1.61 0.79 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.91 4.17 0.00 2.03 1.98 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.95 4.22 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.26 4.07 0.00 1.92 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 2.19 2.30 0.00 39 H 8.28 4.97 0.00 3.10 3.08 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.26 4.97 0.00 3.41 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.42 4.13 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 42 H 8.50 4.41 0.00 3.44 3.47 0.00 5.48 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.09 4.60 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 44 C 8.20 5.32 0.00 3.00 2.98 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 45 V 8.30 4.90 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 0.59 0.00 0.00 0.88 0.00 0.00 46 V 9.17 5.03 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 0.95 0.00 0.00 1.03 0.00 0.00 47 A 8.66 5.04 1.01 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 48 E 9.17 5.22 0.00 2.09 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 2.25 2.27 0.00 49 S 9.31 4.46 0.00 3.85 4.09 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 50 P 0.00 4.13 0.00 1.98 2.10 0.00 3.47 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 51 G 7.94 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.25 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 53 R 7.95 4.13 0.00 1.94 2.02 0.00 3.11 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 54 I 8.18 4.68 1.83 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 1.43 0.52 0.91 0.00 0.00 55 D 8.96 4.86 0.00 2.46 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 56 G 7.65 4.38 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 0.00 57 F 9.07 5.58 0.00 2.97 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 V 8.15 4.49 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.74 0.00 0.00 59 S 7.87 4.91 0.00 4.12 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 60 A 8.06 5.12 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.13 5.00 0.00 3.04 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 62 L 8.68 4.73 0.00 1.67 1.73 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.75 4.32 0.00 2.01 1.65 0.96 0.72 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 64 P 0.00 4.31 0.00 2.05 2.15 0.00 3.75 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 65 T 7.79 4.32 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 66 R 7.62 4.69 0.00 1.85 1.87 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 67 P 0.00 4.55 0.00 2.21 2.22 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 68 D 8.14 4.88 0.00 2.86 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 69 V 8.04 4.83 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 1.02 0.00 0.00 1.00 0.00 0.00 70 L 8.81 4.87 0.00 1.81 1.50 0.96 0.49 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 71 F 9.12 4.72 0.00 2.91 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 0.00 0.00 0.00 72 V 7.52 4.19 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 0.87 0.00 0.00 0.92 0.00 0.00 73 W 9.42 4.78 0.00 3.52 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 74 Q 8.69 4.76 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.51 0.00 0.00 0.00 0.00 0.00 2.23 1.64 0.00 75 V 8.51 4.68 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 0.69 0.00 0.00 0.92 0.00 0.00 76 A 9.24 4.79 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 77 V 8.19 4.59 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 0.73 0.00 0.00 0.84 0.00 0.00 78 H 9.44 4.29 0.00 3.17 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.64 4.13 0.00 4.05 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 80 R 8.35 4.09 0.00 2.05 2.22 0.00 3.18 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 81 A 7.97 4.66 1.18 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 0.00 0.00 0.00 0.00 0.00 82 R 7.11 3.97 0.00 2.03 1.85 0.00 3.17 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 83 G 8.95 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 84 H 8.00 4.86 0.00 3.26 3.30 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.01 3.75 0.00 1.97 1.92 0.00 3.12 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 86 L 8.10 3.90 0.00 1.49 1.57 0.73 0.55 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 87 G 8.15 3.70 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 0.00 0.00 0.00 88 R 8.16 3.77 0.00 1.76 2.01 0.00 3.16 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 89 A 7.97 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 *91 L 8.14 4.08 0.00 1.65 1.53 0.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.04 3.57 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 0.00 0.00 0.00 93 H 8.13 3.99 0.00 3.17 3.32 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.61 3.79 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.35 0.91 0.00 0.00 95 L 7.67 3.91 0.00 1.54 1.70 0.63 -0.07 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 96 E 7.56 4.36 0.00 1.90 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 2.27 2.43 0.00 97 R 7.33 4.24 0.00 2.00 2.03 0.00 3.18 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 98 Q 8.58 3.96 0.00 2.25 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 99 E 8.23 4.03 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 100 C 8.19 4.66 0.00 3.11 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 0.00 101 R 7.72 3.57 0.00 1.78 2.03 0.00 2.91 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.13 0.00 102 H 7.79 4.76 0.00 3.14 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.80 3.92 2.24 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 0.84 0.00 0.00 0.96 0.00 0.00 104 R 9.15 4.82 0.00 1.93 1.84 0.00 3.11 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.53 0.00 105 H 8.17 5.64 0.00 3.13 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.36 5.30 0.00 1.83 1.64 0.73 0.76 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 0.00 107 E 8.72 5.16 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 108 T 8.03 3.63 3.56 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 0.03 0.00 0.00 109 T 8.05 4.83 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 0.58 0.00 0.00 110 V 7.78 4.33 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 0.84 0.00 0.00 0.86 0.00 0.00 *115 Q 8.73 4.25 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 116 A 7.86 4.06 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 0.00 117 S 8.07 4.45 0.00 4.09 4.17 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 0.00 0.00 0.00 0.00 118 R 8.09 3.93 0.00 2.20 2.04 0.00 3.10 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 119 R 7.89 4.01 0.00 1.90 1.91 0.00 3.15 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 120 T 8.10 3.74 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 121 F 8.17 4.04 0.00 3.07 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 0.00 122 A 8.25 4.16 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 0.00 123 G 8.36 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 3.96 0.00 1.67 1.87 0.85 0.95 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 0.00 125 A 8.45 4.24 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 0.00 126 G 8.14 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 0.00 127 E 7.77 4.13 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 2.34 2.36 0.00 128 R 7.46 4.58 0.00 2.13 2.20 0.00 3.47 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 129 G 7.48 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 0.00 130 A 7.62 4.41 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.76 5.01 0.00 3.10 3.35 0.00 5.21 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.41 5.00 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 0.87 0.00 0.00 0.98 0.00 0.00 133 S 9.21 4.99 0.00 3.89 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 0.00 134 E 8.71 5.32 0.00 1.83 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 2.17 2.25 0.00 135 Q 8.93 4.69 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 136 P 0.00 4.42 0.00 2.08 2.06 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 137 F 8.66 4.51 0.00 3.05 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 *150 D 7.75 4.44 0.00 2.76 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 0.00 151 E 8.21 5.14 0.00 1.95 1.77 0.00 0.00 0.00 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 2.06 0.00 *153 L 8.22 4.38 0.00 2.06 1.85 1.08 0.69 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 0.00 154 L 8.63 4.95 0.00 1.57 1.30 0.86 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 155 R 9.00 5.08 0.00 1.83 1.72 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 156 I 10.07 4.97 2.14 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 1.33 0.58 1.08 0.00 0.00 157 G 7.52 3.42 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 0.00 158 P 0.00 4.89 0.00 1.99 1.97 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 159 F 8.58 4.85 0.00 2.99 2.87 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 0.00 160 T 8.36 4.69 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 0.00 161 H 8.76 4.51 0.00 3.14 3.19 0.00 5.73 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 * Residues marked with a * may have inaccurate shift predictions.