NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2329 8.2644 123.5847 51.8543 20.1253 177.2778 4 R 4.1077 7.8707 120.8701 54.6554 28.7521 173.2217 5 N 5.1482 7.8580 121.2178 48.9838 42.1072 173.6726 6 P 4.3839 0.0000 0.0000 65.6497 31.1867 178.4325 7 L 4.0647 8.1691 119.2722 57.4193 41.4429 179.0589 8 E 3.8477 8.2643 118.2013 59.4135 29.5573 179.2225 9 A 4.2849 8.0486 120.2692 55.2930 18.5517 179.3103 10 Q 3.9612 8.1744 117.6661 59.0903 29.0687 178.2493 11 A 3.8974 8.4484 122.2403 54.9835 18.3937 179.6193 12 W 4.2544 8.1171 117.2106 59.8820 28.8728 178.6524 13 A 4.2602 7.8726 119.4162 55.1155 18.1444 179.3763 14 L 4.1011 8.0325 117.4820 58.0901 41.6799 179.8635 15 L 4.0503 8.1307 118.8265 57.5478 41.3268 178.8254 16 E 4.3094 8.1937 116.4106 57.6258 29.4524 177.6781 17 A 4.8166 7.6626 119.8843 50.7565 19.9465 176.2131 18 V 4.2108 7.4699 119.6196 61.7013 32.8772 174.2538 19 Y 4.9335 8.6137 125.8251 56.2868 39.7641 175.2424 20 D 4.4066 9.3043 123.8974 53.7147 42.0247 175.4615 21 P 4.2751 0.0000 0.0000 65.8397 31.8006 177.8416 22 E 4.1260 8.3235 115.9926 59.3375 29.5411 177.9760 23 L 4.1594 8.5769 117.2358 54.7605 42.0543 178.3953 24 G 4.1726 7.9520 106.3563 45.9088 0.0000 173.2534 25 L 5.0007 7.2399 118.8792 52.0782 44.9955 175.8612 26 D 4.4443 7.7794 119.9577 53.0727 41.5405 177.8563 27 V 3.5827 8.3133 114.8633 64.2800 31.4428 179.4063 28 V 3.6978 7.7311 117.7665 66.2359 31.6500 177.7856 29 N 4.4613 8.9388 116.1616 55.7036 38.1271 176.8575 30 L 4.4824 7.8112 118.9282 54.8885 41.9285 177.1864 31 G 4.1606 7.9650 106.1812 47.1363 0.0000 174.7361 32 L 4.0577 8.0591 120.1800 55.3092 42.1017 177.2116 33 I 4.1656 7.6675 119.8223 60.5095 37.2107 174.8269 34 Y 4.8498 8.6694 124.6614 60.3039 38.8695 175.7377 35 D 4.8805 7.9510 116.2406 53.3046 44.9485 174.1436 36 L 5.0127 8.4358 125.6022 53.7883 45.3904 175.0370 37 V 4.3841 9.2297 126.1263 61.2452 34.8275 173.9919 38 V 4.5465 8.6560 128.5037 61.4341 33.2546 175.5253 39 E 4.5586 9.3845 128.5430 53.2240 30.8805 172.1709 40 P 4.3926 0.0000 0.0000 62.1550 32.2534 174.2358 41 P 5.5688 0.0000 0.0000 62.6128 32.4901 175.3086 42 R 5.3100 8.4208 119.3506 54.8201 33.8970 174.5894 43 A 5.1517 8.8016 122.0984 50.5619 22.8733 174.5418 44 Y 5.2834 9.4007 123.0001 55.7508 42.7286 174.5921 45 V 4.5695 8.0826 124.8303 59.9769 35.0981 173.8558 46 R 4.9673 8.2128 124.1125 53.8941 33.0874 174.9701 *48 T 4.1861 8.0892 117.4295 61.9007 67.9723 172.1669 49 L 4.6674 7.6044 120.5073 52.7135 44.8171 177.7511 50 T 3.4125 7.9758 109.6655 63.0004 69.1500 174.6045 51 T 4.7758 7.1425 112.4224 58.9057 71.7878 172.0200 52 P 3.7856 0.0000 0.0000 63.1015 32.1879 176.6890 53 G 3.8882 7.5833 104.9894 46.1668 0.0000 172.7736 54 C 4.5803 8.2455 119.1591 57.8430 29.1690 172.3246 55 P 4.5872 0.0000 0.0000 61.7913 32.1353 176.1282 56 L 3.9872 8.5458 120.9589 57.7338 42.0954 176.8489 57 H 4.7495 7.8754 114.7212 53.5454 31.5108 174.3439 58 D 4.6497 8.4137 126.5861 53.2424 38.0819 176.3215 59 S 4.1179 7.8956 119.9458 61.0313 63.3925 175.8207 60 L 4.0090 7.8591 122.8258 58.1125 41.9971 179.0739 61 G 3.7019 8.2344 107.0547 47.1367 0.0000 175.2903 62 E 3.9103 8.1333 121.4055 59.0733 29.6687 178.8216 63 A 3.9511 8.1319 120.9069 54.9366 18.3709 179.8634 64 V 3.4490 7.8759 116.9837 65.9454 31.6230 178.2069 65 R 3.7787 7.9648 118.4090 59.7260 29.7571 178.5511 66 Q 4.0005 8.0875 116.2565 58.7375 28.9815 178.5136 67 A 4.1126 7.9836 121.9380 55.2459 18.4935 179.7815 68 L 3.9569 7.8993 117.3781 57.7540 41.4172 179.7230 69 S 4.2582 7.8232 114.0968 60.8516 62.7951 176.1861 70 R 4.0782 7.5639 119.6380 56.9882 29.8912 176.8983 71 L 4.1892 7.4344 120.7780 53.3589 42.3115 174.7735 72 P 4.2978 0.0000 0.0000 64.0101 31.9819 176.9149 73 G 3.7676 8.8998 108.9744 45.5461 0.0000 173.0567 74 V 4.3811 7.1633 118.9676 61.9935 30.3858 175.0818 75 E 4.4670 8.6365 126.8740 56.8527 30.6715 176.3499 76 E 4.6359 7.9123 120.8662 54.4378 33.2761 173.7284 77 V 4.8697 8.5071 126.2354 61.0428 34.2969 173.8143 78 E 4.5492 9.2638 129.6130 54.5361 31.5940 174.5353 79 V 4.4506 8.3760 127.4783 61.2936 33.3364 174.3140 80 E 4.5239 8.9122 128.9927 54.6547 31.5388 175.2572 81 V 4.1087 8.2150 125.1381 61.5924 32.2153 174.8501 82 T 4.5139 7.9895 120.8620 60.4786 70.6301 173.3356 83 F 4.9374 8.6832 121.1087 56.9987 39.6459 175.2915 84 E 4.6309 8.3011 121.2697 53.9154 30.3649 174.3183 85 P 4.7011 0.0000 0.0000 60.8502 32.6979 174.1373 86 P 4.7690 0.0000 0.0000 62.1433 32.0330 176.1800 87 W 4.5025 8.9464 131.7297 57.6870 31.6619 174.9364 88 T 4.2885 6.7422 111.9502 59.6400 71.2931 174.6606 89 L 3.4404 7.8153 121.3426 56.9788 41.7179 179.4467 90 A 3.9191 7.1338 120.4212 54.5286 17.9899 178.4129 91 R 4.2091 7.5581 113.9095 56.5720 30.5113 176.7547 92 L 4.3835 7.5011 119.1435 54.5624 42.1625 177.2553 93 S 4.4679 8.6553 117.0593 57.7800 64.1615 174.5191 94 E 4.0636 8.7990 121.1169 59.6068 29.8857 179.2566 95 K 3.7322 8.3848 119.2568 59.5760 32.0298 177.6415 96 A 4.3840 8.3983 118.3619 53.1315 18.6089 177.7343 97 R 4.5323 8.6254 114.9604 56.0050 30.9215 176.7024 98 R 4.2508 7.5799 116.7357 56.6975 29.9647 176.6763 99 L 3.7442 8.0919 113.9634 55.6437 39.2776 175.8162 100 L 4.0566 8.3123 120.7922 57.6392 41.7607 177.6227 101 G 3.7839 8.0170 110.9166 45.6845 0.0000 173.2914 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 A 8.26 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 4 R 7.87 4.11 0.00 1.89 1.90 0.00 3.21 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 5 N 7.86 5.15 0.00 2.93 2.87 0.00 0.00 5.89 7.76 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 6 P 0.00 4.38 0.00 2.30 2.37 0.00 3.71 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 2.08 2.07 0.00 7 L 8.17 4.06 0.00 1.98 1.73 0.91 0.91 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 8 E 8.26 3.85 0.00 2.31 2.14 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 2.35 2.65 0.00 9 A 8.05 4.28 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 10 Q 8.17 3.96 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 11 A 8.45 3.90 1.10 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 0.00 0.00 0.00 12 W 8.12 4.25 0.00 3.63 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.87 4.26 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 14 L 8.03 4.10 0.00 1.87 1.71 0.93 0.40 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 15 L 8.13 4.05 0.00 1.75 1.72 0.62 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.19 4.31 0.00 2.17 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 2.37 2.59 0.00 17 A 7.66 4.82 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 18 V 7.47 4.21 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 1.01 0.00 0.00 0.96 0.00 0.00 19 Y 8.61 4.93 0.00 2.84 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 9.30 4.41 0.00 2.67 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 21 P 0.00 4.28 0.00 2.06 2.09 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 22 E 8.32 4.13 0.00 2.08 1.99 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 2.30 2.31 0.00 23 L 8.58 4.16 0.00 1.70 1.75 0.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.95 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 0.00 0.00 0.00 25 L 7.24 5.00 0.00 1.77 1.56 0.99 1.04 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 26 D 7.78 4.44 0.00 2.54 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 0.00 0.00 0.00 27 V 8.31 3.58 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 0.79 0.00 0.00 0.91 0.00 0.00 28 V 7.73 3.70 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 1.12 0.00 0.00 1.21 0.00 0.00 29 N 8.94 4.46 0.00 2.82 2.87 0.00 0.00 7.15 6.60 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 30 L 7.81 4.48 0.00 1.71 1.74 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.96 4.16 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 0.00 0.00 0.00 32 L 8.06 4.06 0.00 1.65 1.48 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.67 4.17 2.19 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 0.95 0.00 0.00 34 Y 8.67 4.85 0.00 3.00 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 35 D 7.95 4.88 0.00 2.95 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 36 L 8.44 5.01 0.00 1.23 1.20 0.64 -0.69 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 37 V 9.23 4.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 38 V 8.66 4.55 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 0.80 0.00 0.00 0.86 0.00 0.00 39 E 9.38 4.56 0.00 1.97 1.80 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 2.22 2.27 0.00 40 P 0.00 4.39 0.00 2.03 2.15 0.00 3.66 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 2.04 2.11 0.00 41 P 0.00 5.57 0.00 2.15 2.30 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 42 R 8.42 5.31 0.00 1.73 1.84 0.00 3.06 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 43 A 8.80 5.15 1.15 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 44 Y 9.40 5.28 0.00 2.89 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 45 V 8.08 4.57 1.84 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 0.59 0.00 0.00 0.72 0.00 0.00 46 R 8.21 4.97 0.00 1.83 1.83 0.00 3.29 0.00 0.00 3.38 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.37 0.00 *48 T 8.09 4.19 3.65 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 0.00 0.00 0.00 0.89 0.00 0.00 49 L 7.60 4.67 0.00 1.84 1.47 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.98 3.41 3.77 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 0.00 0.00 0.09 0.00 0.00 51 T 7.14 4.78 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 1.23 0.00 0.00 52 P 0.00 3.79 0.00 1.97 1.91 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 53 G 7.58 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 54 C 8.25 4.58 0.00 3.03 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 55 P 0.00 4.59 0.00 2.19 2.07 0.00 3.82 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 2.00 1.96 0.00 56 L 8.55 3.99 0.00 1.61 1.77 0.87 0.97 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 57 H 7.88 4.75 0.00 3.08 3.17 0.00 5.94 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 58 D 8.41 4.65 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.90 4.12 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.86 4.01 0.00 1.70 1.58 0.87 0.94 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 61 G 8.23 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 62 E 8.13 3.91 0.00 2.09 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 2.29 2.35 0.00 63 A 8.13 3.95 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 64 V 7.88 3.45 2.14 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 0.86 0.00 0.00 0.87 0.00 0.00 65 R 7.96 3.78 0.00 1.98 2.02 0.00 3.28 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 66 Q 8.09 4.00 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 67 A 7.98 4.11 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 68 L 7.90 3.96 0.00 1.78 1.65 0.78 0.80 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 69 S 7.82 4.26 0.00 4.01 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 70 R 7.56 4.08 0.00 1.98 1.98 0.00 3.15 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 71 L 7.43 4.19 0.00 1.80 1.56 0.88 0.81 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 72 P 0.00 4.30 0.00 2.17 2.05 0.00 3.80 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 1.98 1.96 0.00 73 G 8.90 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.16 4.38 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 0.82 0.00 0.00 0.91 0.00 0.00 75 E 8.64 4.47 0.00 1.89 1.97 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 2.28 2.24 0.00 76 E 7.91 4.64 0.00 1.98 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 2.27 2.30 0.00 77 V 8.51 4.87 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 0.78 0.00 0.00 0.90 0.00 0.00 78 E 9.26 4.55 0.00 2.13 1.96 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 2.26 2.27 0.00 79 V 8.38 4.45 1.99 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 0.73 0.00 0.00 0.82 0.00 0.00 80 E 8.91 4.52 0.00 1.73 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 0.00 2.27 2.53 0.00 81 V 8.21 4.11 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 0.40 0.00 0.00 0.82 0.00 0.00 82 T 7.99 4.51 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 1.30 0.00 0.00 83 F 8.68 4.94 0.00 3.15 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 84 E 8.30 4.63 0.00 2.02 1.94 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 2.34 2.32 0.00 85 P 0.00 4.70 0.00 2.17 2.01 0.00 3.24 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 1.72 1.68 0.00 86 P 0.00 4.77 0.00 2.33 2.23 0.00 3.83 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 2.06 2.02 0.00 87 W 8.95 4.50 0.00 3.38 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 88 T 6.74 4.29 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 1.13 0.00 0.00 89 L 7.82 3.44 0.00 1.56 1.66 0.95 0.86 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 90 A 7.13 3.92 1.15 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 91 R 7.56 4.21 0.00 1.74 2.07 0.00 3.19 0.00 0.00 3.48 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.35 0.00 92 L 7.50 4.38 0.00 1.73 1.65 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.66 4.47 0.00 3.94 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 94 E 8.80 4.06 0.00 2.09 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 0.00 2.38 2.35 0.00 95 K 8.38 3.73 0.00 1.77 1.95 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 96 A 8.40 4.38 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 97 R 8.63 4.53 0.00 1.79 1.96 0.00 3.15 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 98 R 7.58 4.25 0.00 2.03 1.95 0.00 3.48 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 99 L 8.09 3.74 0.00 1.80 1.76 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.31 4.06 0.00 1.66 1.80 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.02 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.