NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9981 8.1400 114.7879 57.8534 64.4064 174.2663 2 L 4.0788 8.4743 122.5763 57.5090 41.6401 177.6439 3 L 4.1453 7.4840 119.3673 57.2782 41.9991 178.1985 4 E 4.2532 8.0800 116.7418 58.5675 29.9460 178.5125 5 F 4.6321 8.4647 122.4075 61.1633 39.4052 177.2182 6 G 3.5728 8.0731 105.4236 47.7695 0.0000 175.5829 7 K 4.0940 7.9649 121.7669 58.9761 32.2027 178.6632 8 M 4.1295 8.5190 119.0515 58.6214 32.1108 178.1501 9 I 3.6147 7.7922 119.9280 64.3134 37.2010 177.9648 10 L 4.2712 7.7292 122.2896 57.7800 41.6662 178.8882 11 E 3.9901 8.0772 116.9530 59.4663 29.4443 179.0208 12 E 4.1622 8.2846 117.9937 58.9718 29.7374 178.4741 13 T 4.4846 8.2890 107.5686 60.7782 70.5746 175.6470 14 G 3.7711 8.1587 109.6903 45.6643 0.0000 172.8936 *16 K 4.9511 7.4631 117.5124 55.8895 33.5867 175.1519 17 L 4.1649 8.1375 122.0010 54.2862 42.6088 177.8234 18 A 4.0102 8.9088 126.4947 54.8295 18.4861 177.2301 19 I 4.5977 7.6658 116.0427 59.3505 38.1378 173.7276 20 P 5.0974 0.0000 0.0000 61.7213 32.0131 177.1749 21 S 4.1315 7.9525 116.0484 61.5537 62.6968 174.8135 22 Y 4.7080 8.1565 114.6784 57.6261 38.6043 176.1852 23 S 4.8471 7.9994 113.8081 58.6326 64.2269 175.0156 24 S 5.1245 7.7816 117.3053 57.4418 62.9957 172.6700 25 Y 4.9129 8.2784 122.1191 58.0096 41.1777 174.9737 26 G 3.3273 7.8239 116.1132 47.3711 0.0000 174.2647 27 C 4.6654 9.0845 116.4513 57.3622 35.8796 174.2958 28 Y 4.5586 8.7455 114.9348 57.4338 39.4762 174.2527 29 C 4.9862 8.4378 119.2081 57.3867 40.2462 172.7585 30 G 4.9041 9.0094 119.3988 45.3281 0.0000 173.1789 31 W 4.9702 8.0587 135.0000 55.0945 32.5146 174.7548 32 G 4.4380 8.1888 113.3052 43.5484 0.0000 171.2004 33 G 4.1740 8.5331 110.1404 45.3617 0.0000 171.8618 34 K 4.7553 7.1184 115.7553 57.2942 34.9272 174.2807 35 G 3.8739 8.9022 105.4405 44.9982 0.0000 172.2444 36 T 4.3688 7.5847 114.7983 61.2404 69.4997 173.6690 37 P 4.5969 0.0000 0.0000 62.7457 31.8779 176.9223 38 K 3.8074 9.0121 123.4531 59.1523 32.2145 176.8081 39 D 4.4349 7.4957 116.4112 51.0516 42.8789 175.6034 40 A 4.0068 8.5944 120.5704 56.1210 17.9465 179.7547 41 T 3.9987 8.0351 113.2918 67.0600 68.5730 176.2177 42 D 4.6034 8.7191 119.6463 57.1889 41.1248 178.4456 43 R 4.0122 8.1627 118.9493 59.0086 29.9406 178.0905 44 C 4.2089 8.4374 116.7846 60.3616 40.4483 175.5806 45 C 4.3353 8.2537 118.0408 59.7884 40.4229 175.9162 46 F 3.7984 8.3386 122.3601 61.3145 38.9311 177.4053 47 V 3.3845 8.1482 118.1859 66.0336 31.2593 177.3030 48 H 3.7935 8.3355 118.3091 59.3672 29.6635 177.0026 49 D 4.1556 8.1364 120.7655 57.4484 40.3803 178.1478 50 C 4.1016 7.5585 116.1710 59.8125 34.5391 175.0013 51 C 4.2701 8.2686 120.4918 59.9888 41.4933 175.2549 52 Y 4.2943 7.8091 118.4335 61.1175 37.1912 178.9376 53 G 3.7344 7.9376 105.5364 47.3546 0.0000 174.6571 54 N 4.6621 7.6978 115.9378 53.6602 40.0261 175.1914 55 L 4.8002 7.6903 120.1375 52.3047 42.0954 174.5265 56 P 4.1971 0.0000 0.0000 65.6470 32.1227 178.3593 *59 D 5.0109 7.8398 115.6501 54.3166 42.5149 175.4907 *61 C 4.9367 7.6991 115.2269 57.2989 39.8037 172.7825 *67 N 4.7024 7.9753 117.0297 52.3565 38.8942 173.1552 68 P 3.9823 0.0000 0.0000 65.3509 31.9562 179.2069 69 K 4.1205 7.9856 116.9976 58.3857 32.1764 178.4584 70 S 4.5004 7.7527 110.6151 58.0444 64.8918 173.6615 71 D 4.4644 8.2908 122.1040 53.7817 41.4221 175.4460 72 R 4.4596 8.3989 125.7657 55.0301 31.4572 174.9962 73 Y 4.9559 8.3486 119.5051 55.0268 41.1738 174.5801 74 K 5.0043 8.5285 118.4751 55.0714 35.3783 175.0323 75 Y 5.4919 8.1767 119.9382 55.9399 41.1353 173.4240 76 K 4.6403 9.2981 118.8540 55.3721 37.0501 175.1745 77 R 4.9533 8.5606 119.2510 54.5030 31.6522 177.4012 78 V 3.9518 8.5467 128.4064 61.4426 29.7854 175.1467 79 N 4.3960 7.9537 116.2058 54.3948 35.7655 174.7611 80 G 4.1604 8.6443 109.2335 46.1984 0.0000 175.5509 81 A 4.1160 7.9348 122.6928 51.9078 19.0438 175.9289 82 I 4.6757 8.2111 123.5553 60.5864 38.5032 175.4789 83 V 4.3897 8.9916 127.2917 61.0954 34.1301 173.7782 84 C 4.8962 8.8707 126.1001 56.9289 40.6722 173.4890 85 E 4.5704 8.9269 123.7880 54.8953 31.0273 176.4915 86 K 4.0603 8.5170 123.3343 56.6683 33.6169 175.7874 *88 G 4.3387 8.2708 114.0023 45.4405 0.0000 172.9603 89 T 4.2154 8.7336 114.6622 60.9977 71.1981 175.5866 90 S 4.0734 8.5424 115.4090 61.8638 62.3009 176.9908 91 C 4.2720 8.0693 118.4835 60.1031 40.6332 175.6632 92 E 4.0171 8.0080 119.6451 59.5698 29.0826 179.3025 93 N 4.2607 8.2377 116.3795 56.4219 38.6164 177.7990 94 R 3.8992 7.8213 118.9789 58.9622 30.1603 179.0873 95 I 3.5901 8.1945 119.9861 64.5474 37.1107 177.2846 96 C 2.8347 7.8118 119.2950 59.6657 37.6392 175.6810 97 E 3.7116 7.8638 119.6027 59.4270 29.0108 178.6284 98 C 4.1452 8.0338 116.6085 60.1041 39.5807 176.0454 99 D 3.7107 7.8963 120.2904 56.8702 40.4474 178.4277 100 K 3.6801 7.9390 120.0858 59.5492 32.1103 178.4019 101 A 3.8617 7.6911 120.0527 55.0748 18.3123 179.3486 102 A 3.4622 7.6809 118.7930 55.1920 18.4405 179.6122 103 A 3.9811 8.1961 119.4928 55.4266 18.3232 180.0180 104 I 3.6360 7.7529 118.1775 64.4981 36.9694 177.6522 105 C 4.1182 8.1640 118.5119 59.7415 37.8330 175.2525 106 F 4.6389 8.1220 119.4890 60.7857 38.3734 177.4636 107 R 3.9327 8.1329 118.1079 59.7680 29.6408 178.3260 108 Q 4.0605 8.3246 117.9598 58.2279 29.3210 176.4177 109 N 5.0286 7.7393 115.2164 52.8192 39.4474 176.2626 110 L 4.1379 7.8397 122.5544 57.8928 41.8596 179.4504 111 N 4.4285 8.3397 115.1080 55.2570 37.2401 175.5258 112 T 4.4740 7.6520 106.1804 60.9091 69.5405 174.0368 113 Y 4.1612 7.6812 123.6860 58.4188 39.3244 175.4219 114 S 4.6024 9.0497 123.1943 56.7100 65.3340 175.5162 *115 K 4.0038 8.8019 129.2561 57.2106 31.6127 175.4701 116 K 4.0398 7.3409 115.1908 59.2700 32.5959 177.2156 117 Y 4.4136 7.4122 116.9498 58.0620 38.3449 175.5506 118 M 4.4321 7.4270 120.3855 56.2490 32.6898 175.8421 119 L 3.6658 8.4531 120.2222 55.7954 40.1121 174.8130 120 Y 4.1558 7.9503 118.0900 56.5084 39.7106 173.2066 121 P 4.2967 0.0000 0.0000 62.4269 32.3279 177.0267 122 D 4.2513 8.5903 121.7298 56.7296 41.4260 177.6430 *124 F 5.1643 7.7856 111.5227 56.7485 39.5142 175.6051 125 L 3.6671 6.6094 119.1858 55.4640 41.5022 176.4271 126 C 4.6235 7.7865 116.9315 55.6786 33.7723 172.5863 127 K 4.6900 9.5253 124.0664 53.3030 34.8774 177.5936 128 G 4.1487 7.6326 109.2786 45.5927 0.0000 170.9897 129 E 4.7396 7.9891 119.1077 55.1881 32.5240 174.9529 130 L 4.4510 8.2859 125.2765 53.9167 45.0543 173.7542 131 K 4.5295 8.4727 126.0833 54.9003 34.2126 176.5903 *133 C 4.4873 8.6439 121.3887 57.3900 41.5273 173.6928 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 8.14 5.00 0.00 4.16 4.04 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 2 L 8.47 4.08 0.00 2.02 1.79 1.21 0.61 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 3 L 7.48 4.15 0.00 1.80 1.70 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.08 4.25 0.00 2.16 2.25 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 2.20 2.27 0.00 5 F 8.46 4.63 0.00 3.29 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 6 G 8.07 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 7 K 7.96 4.09 0.00 1.88 1.91 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.51 7.81 8 M 8.52 4.13 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 9 I 7.79 3.61 1.81 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.19 0.65 0.00 0.00 10 L 7.73 4.27 0.00 1.77 1.85 0.92 0.88 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 11 E 8.08 3.99 0.00 2.20 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 2.41 2.74 0.00 12 E 8.28 4.16 0.00 2.11 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 2.49 2.46 0.00 13 T 8.29 4.48 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 1.22 0.00 0.00 14 G 8.16 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 *16 K 7.46 4.95 0.00 1.83 1.58 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.23 7.81 17 L 8.14 4.16 0.00 1.69 1.73 0.92 1.06 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 18 A 8.91 4.01 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 19 I 7.67 4.60 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.98 0.95 0.00 0.00 20 P 0.00 5.10 0.00 2.23 2.29 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 21 S 7.95 4.13 0.00 3.99 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 22 Y 8.16 4.71 0.00 2.69 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 23 S 8.00 4.85 0.00 4.16 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 0.00 24 S 7.78 5.12 0.00 4.04 4.12 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 25 Y 8.28 4.91 0.00 2.98 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 26 G 7.82 3.33 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 0.00 27 C 9.08 4.67 0.00 3.00 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 28 Y 8.75 4.56 0.00 3.38 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 29 C 8.44 4.99 0.00 3.52 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 30 G 9.01 4.90 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 0.00 0.00 0.00 31 W 8.06 4.97 0.00 3.28 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 32 G 8.19 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 0.00 0.00 0.00 0.00 33 G 8.53 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 34 K 7.12 4.76 0.00 1.91 1.87 0.00 1.21 0.00 0.00 2.42 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 35 G 8.90 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 36 T 7.58 4.37 4.21 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 1.13 0.00 0.00 37 P 0.00 4.60 0.00 1.89 2.09 0.00 3.41 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 38 K 9.01 3.81 0.00 0.79 0.74 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.95 0.32 7.81 39 D 7.50 4.43 0.00 2.83 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 40 A 8.59 4.01 1.44 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 0.00 0.00 0.00 41 T 8.04 4.00 4.21 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 1.15 0.00 0.00 42 D 8.72 4.60 0.00 3.05 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 43 R 8.16 4.01 0.00 2.09 1.96 0.00 3.13 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 44 C 8.44 4.21 0.00 3.18 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 45 C 8.25 4.34 0.00 3.35 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 0.00 46 F 8.34 3.80 0.00 2.70 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 47 V 8.15 3.38 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 0.89 0.00 0.00 1.01 0.00 0.00 48 H 8.34 3.79 0.00 3.14 3.32 0.00 5.64 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 D 8.14 4.16 0.00 2.77 2.64 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 50 C 7.56 4.10 0.00 2.80 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 51 C 8.27 4.27 0.00 2.93 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 52 Y 7.81 4.29 0.00 3.09 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 53 G 7.94 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 54 N 7.70 4.66 0.00 2.85 2.84 0.00 0.00 6.77 7.78 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 55 L 7.69 4.80 0.00 1.55 1.51 0.87 0.83 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 56 P 0.00 4.20 0.00 2.16 2.08 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 *59 D 7.84 5.01 0.00 2.74 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 *61 C 7.70 4.94 0.00 3.00 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 *67 N 7.98 4.70 0.00 2.72 2.75 0.00 0.00 7.59 8.03 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 68 P 0.00 3.98 0.00 1.16 0.49 0.00 3.38 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.42 0.00 69 K 7.99 4.12 0.00 1.76 1.88 0.00 1.72 0.00 0.00 2.01 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.37 7.81 70 S 7.75 4.50 0.00 3.92 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 71 D 8.29 4.46 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.46 0.00 1.79 1.82 0.00 3.13 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 73 Y 8.35 4.96 0.00 2.97 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 74 K 8.53 5.00 0.00 1.74 1.89 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.18 5.49 0.00 3.12 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 76 K 9.30 4.64 0.00 1.80 1.87 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.45 7.81 77 R 8.56 4.95 0.00 1.73 1.96 0.00 3.63 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 78 V 8.55 3.95 2.10 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 0.78 0.00 0.00 0.95 0.00 0.00 79 N 7.95 4.40 0.00 2.94 3.00 0.00 0.00 7.44 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 80 G 8.64 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 81 A 7.93 4.12 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 82 I 8.21 4.68 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.78 0.00 0.00 83 V 8.99 4.39 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.90 0.00 2.85 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 85 E 8.93 4.57 0.00 2.05 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 2.34 2.30 0.00 86 K 8.52 4.06 0.00 1.79 1.69 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.44 7.81 *88 G 8.27 4.34 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 0.00 89 T 8.73 4.22 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 1.27 0.00 0.00 90 S 8.54 4.07 0.00 3.89 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 91 C 8.07 4.27 0.00 2.99 3.08 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 92 E 8.01 4.02 0.00 2.29 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 0.00 2.55 2.49 0.00 93 N 8.24 4.26 0.00 2.85 2.82 0.00 0.00 7.05 7.00 0.00 0.00 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 R 7.82 3.90 0.00 1.83 1.91 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 95 I 8.19 3.59 1.91 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 1.21 0.89 0.99 0.00 0.00 96 C 7.81 2.83 0.00 1.92 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 97 E 7.86 3.71 0.00 2.07 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 2.41 2.42 0.00 98 C 8.03 4.15 0.00 3.17 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 99 D 7.90 3.71 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.68 0.00 1.63 1.88 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.69 3.86 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 0.00 102 A 7.68 3.46 1.11 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 0.00 103 A 8.20 3.98 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 0.00 104 I 7.75 3.64 1.93 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 1.38 0.69 0.88 0.00 0.00 105 C 8.16 4.12 0.00 2.86 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 0.00 106 F 8.12 4.64 0.00 3.01 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 0.00 107 R 8.13 3.93 0.00 2.04 2.12 0.00 3.36 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 108 Q 8.32 4.06 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 N 7.74 5.03 0.00 2.91 2.86 0.00 0.00 6.88 6.74 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 0.00 110 L 7.84 4.14 0.00 1.84 1.77 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.34 4.43 0.00 2.87 3.00 0.00 0.00 5.91 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 0.00 112 T 7.65 4.47 4.33 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 1.27 0.00 0.00 113 Y 7.68 4.16 0.00 2.96 3.02 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 0.00 114 S 9.05 4.60 0.00 3.86 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 *115 K 8.80 4.00 0.00 1.72 1.82 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.01 7.81 116 K 7.34 4.04 0.00 1.60 1.72 0.00 1.26 0.00 0.00 1.42 0.00 0.00 2.43 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.51 0.44 7.81 117 Y 7.41 4.41 0.00 1.84 1.85 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 0.00 118 M 7.43 4.43 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 119 L 8.45 3.67 0.00 1.74 1.71 0.93 0.91 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 0.00 120 Y 7.95 4.16 0.00 3.08 3.02 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 0.00 121 P 0.00 4.30 0.00 1.99 2.08 0.00 2.40 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 122 D 8.59 4.25 0.00 2.54 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.79 5.16 0.00 3.20 3.09 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 0.00 125 L 6.61 3.67 0.00 1.04 1.51 0.28 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.79 4.62 0.00 2.94 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 0.00 127 K 9.53 4.69 0.00 1.76 1.67 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 G 7.63 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 0.00 129 E 7.99 4.74 0.00 1.94 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 2.32 0.00 130 L 8.29 4.45 0.00 1.44 1.36 0.82 -0.49 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 0.00 131 K 8.47 4.53 0.00 1.78 1.71 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.48 7.81 *133 C 8.64 4.49 0.00 2.97 2.92 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 * Residues marked with a * may have inaccurate shift predictions.