NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7040 8.4093 119.2070 53.6648 40.1037 173.2607 4 T 4.6803 8.2481 113.8853 57.9891 71.9676 172.3732 5 T 4.5101 9.0509 113.9854 60.4626 72.6940 176.3050 6 Y 3.9597 8.5789 122.3671 61.1762 38.6609 178.7500 7 V 3.6498 7.9658 118.2537 66.1271 31.8096 177.7536 8 Q 4.0571 8.1817 117.7042 59.1857 28.5124 178.7910 9 E 4.0870 8.2350 119.5649 59.2401 29.3897 178.5906 10 Y 3.5451 7.8859 120.0354 61.1332 38.9066 178.2537 11 H 4.2986 8.4098 116.5783 58.5512 28.3536 177.7883 12 A 4.0158 7.8761 122.5481 55.1563 18.1578 179.7885 13 I 3.3387 7.5432 118.5708 64.2925 37.0625 178.8167 14 V 3.2889 7.6115 119.5117 65.7871 31.0191 177.5856 15 E 3.9438 7.7563 118.1778 59.1278 29.7178 178.8711 16 V 3.6755 7.2680 117.7994 66.0445 31.6854 178.2001 17 L 3.7930 8.0043 118.9667 57.3284 41.2847 179.1136 18 S 4.0637 8.4162 113.9154 61.6500 62.1195 176.6128 19 K 4.0230 7.8998 120.3676 59.3750 31.7802 178.6258 20 Y 4.2100 7.9633 119.3364 60.9386 38.8043 177.8948 21 N 4.1565 8.3626 117.2923 56.1620 38.6628 177.0107 22 E 3.9955 8.6535 121.2280 59.3152 29.7064 178.9931 23 G 3.7561 8.4928 106.2784 47.6891 0.0000 175.8197 24 G 3.4925 7.9373 107.8963 47.5909 0.0000 175.8143 25 K 4.0580 8.0788 122.8327 58.6274 32.0422 178.2901 26 K 4.2517 8.2226 116.0228 55.5780 33.2403 176.2112 27 A 3.7658 7.6415 121.4627 53.1403 16.5227 177.9870 28 D 4.6302 8.3441 120.4862 52.4022 43.3732 175.9803 29 S 4.1799 8.9629 122.8204 61.1535 63.3616 175.9503 30 T 3.8067 7.7779 117.7114 66.7634 68.1845 175.3898 31 I 3.8869 7.2799 118.1302 62.2715 36.9303 176.6319 *33 R 4.1772 8.0496 122.6584 55.9002 31.2398 175.8426 34 P 4.3572 0.0000 0.0000 65.1004 31.5717 177.2467 35 A 4.1152 8.1600 119.5412 53.6129 19.3857 176.9082 36 F 5.3051 8.1014 114.2288 55.3444 41.3352 176.0988 37 S 4.4309 9.0484 118.4656 58.4332 62.8804 175.4848 38 S 4.2652 8.9552 119.6812 61.1653 62.8082 175.0062 39 Q 4.3139 7.9298 117.9256 55.7891 29.1334 175.7271 40 A 5.1656 8.1995 121.4168 51.7884 19.7710 176.9104 41 T 4.8984 8.4459 108.9096 59.7507 72.9366 172.4650 42 I 4.9394 7.9858 122.1675 59.3686 41.3444 174.1111 43 F 5.4259 9.0719 126.5978 56.4888 43.9950 174.2302 44 G 3.5577 8.9936 107.3573 45.2975 0.0000 171.1079 45 V 4.8496 7.9687 118.8734 60.8560 33.9187 175.8909 46 D 4.8353 8.7501 127.2455 51.9134 41.1133 177.3260 47 V 3.6822 8.3358 117.7263 64.7487 31.2159 176.4731 48 D 4.6421 8.2424 118.1992 53.8559 40.6407 176.0336 49 N 4.3064 8.3652 115.1591 54.0205 36.6829 174.2282 50 K 4.4591 8.1446 117.9048 54.5138 33.6256 176.1143 51 L 4.4011 8.2873 124.0273 55.4791 42.7321 176.3041 52 T 4.6987 10.0574 120.0547 59.8020 70.8843 172.2545 53 G 3.7527 9.3632 115.8117 45.4290 0.0000 170.7960 54 G 3.6649 6.9391 112.2196 43.6108 0.0000 171.2081 55 P 4.2987 0.0000 0.0000 62.6367 32.0406 176.9975 56 I 3.1393 7.9196 121.0192 63.9884 37.5424 177.9395 57 Q 3.8675 7.9442 120.1456 59.1256 28.7288 178.4804 58 G 3.5579 7.7978 106.6283 47.6497 0.0000 175.3308 59 L 3.6118 7.3580 122.2630 57.9511 42.0478 179.0782 60 F 4.3693 7.2410 117.1330 60.6169 38.8045 177.1748 61 D 4.3280 8.3962 118.8932 57.4508 40.5817 179.1019 62 V 3.5075 7.4812 118.2840 65.9418 30.2895 178.0603 63 I 3.2137 7.6690 119.7583 64.4625 36.7137 178.1902 64 D 4.5633 8.1381 118.4927 56.5898 40.8248 177.6831 65 N 4.7768 8.2330 115.0476 53.3363 39.7073 175.7986 66 V 4.2427 7.8644 118.5978 64.1100 33.3689 176.1866 67 F 4.5918 7.6337 113.8675 57.6541 39.4706 174.1091 68 H 5.1651 8.1581 119.1359 53.1068 31.5752 172.5056 69 P 4.4246 0.0000 0.0000 63.7180 32.0428 176.8674 70 S 4.7359 9.3717 120.0916 55.3827 62.8105 172.8111 71 P 4.2497 0.0000 0.0000 65.1663 31.3709 177.9598 72 E 4.3919 8.0085 115.6688 55.8790 29.7242 175.6940 73 A 4.5571 7.8277 122.0166 52.0563 19.2569 177.8112 74 K 4.6748 8.9883 120.0907 54.5967 36.1193 175.3505 75 A 5.3659 8.8692 125.6792 50.0323 22.2188 175.1090 76 A 4.5975 9.2571 121.8305 50.3180 22.2010 175.8327 77 I 4.6434 8.5943 124.0351 60.1561 35.9569 175.4608 78 A 4.2471 8.8009 129.7489 54.7715 19.1755 177.8534 79 R 4.6406 7.6869 113.2021 55.5062 33.8123 174.0373 80 I 4.9876 8.5917 126.0656 59.8023 40.2415 174.3227 81 D 4.9835 9.1507 128.3142 53.1727 42.5367 175.8420 82 I 4.8948 8.6128 123.5611 59.4985 40.5703 175.2893 83 V 4.3250 8.9823 126.8217 61.4302 34.5776 177.4109 84 G 3.9699 8.9565 119.4730 47.2237 0.0000 173.3571 85 T 4.0082 8.9599 115.8578 61.3267 69.7811 173.7057 86 A 5.5920 8.2021 124.4864 50.7164 22.2778 175.2341 87 A 5.2074 9.1136 120.8203 50.7901 23.2218 175.4894 88 S 5.3721 9.2193 113.8838 56.6477 66.8288 172.9216 89 A 5.2294 9.1323 121.8674 50.4585 23.1054 174.7776 90 R 5.1161 9.1685 121.1237 54.6033 33.0003 174.6648 91 I 5.1442 8.8474 126.7370 59.7114 40.6862 173.9823 92 D 5.4979 9.0145 126.8846 53.0197 43.3897 175.6691 93 T 5.1660 8.9673 118.8843 62.0868 72.7024 172.6289 94 D 4.9818 9.1631 126.2024 52.9920 43.5125 176.1768 95 D 4.0420 8.4223 119.2596 55.7324 38.1071 174.7766 96 I 4.1827 7.9863 120.1627 59.8512 38.7511 174.8794 97 S 3.5797 10.0256 125.3812 59.1795 61.0283 173.2387 98 G 3.5969 8.2557 105.2056 44.8552 0.0000 173.5450 99 F 4.8013 7.7547 118.5424 55.4627 42.3232 174.4626 100 R 4.9213 8.1490 120.5165 54.6646 32.7525 174.3464 101 F 5.7296 9.3279 124.3296 56.0847 43.4199 174.0289 102 T 5.1341 9.0477 117.4276 62.0218 71.2770 172.9434 103 D 5.3694 9.3310 126.1557 52.4051 44.4383 175.1207 104 F 5.4292 8.8739 120.5871 55.7640 42.4296 174.1292 105 F 5.3772 9.7030 122.3143 55.7555 42.3324 173.8526 106 N 5.4687 9.2523 120.6842 51.7536 40.7157 174.0536 107 L 5.5128 9.1632 123.0361 53.0656 46.1428 175.5579 108 L 5.3758 9.0246 120.3413 53.0932 46.4283 176.0378 109 K 3.8090 8.3748 124.3495 54.9094 31.9801 175.3546 110 V 4.0682 8.4800 128.0170 62.0094 32.8482 175.8295 111 E 3.8530 9.7940 127.2003 57.4749 26.9494 175.7799 112 G 3.8864 8.4433 104.7744 45.1041 0.0000 173.8567 113 K 4.6181 7.6897 119.0825 53.9471 35.9200 175.8416 114 W 4.7232 8.8320 124.6651 57.0908 30.0081 175.5864 115 T 4.8003 9.0802 118.0549 60.3160 71.0084 172.7624 116 V 4.3101 8.8139 129.1135 63.1569 32.2230 176.5613 117 V 4.3929 9.1633 120.7770 61.8204 34.1621 175.6558 118 S 5.1055 8.0165 115.1964 56.7137 66.0300 172.3388 119 K 4.8244 9.2130 128.6711 54.4414 34.7188 174.7170 120 I 5.7719 8.9576 120.0504 58.5178 41.2842 173.5938 121 Y 5.3522 7.8599 119.2419 55.9825 41.2679 173.3300 122 H 4.9780 9.5173 120.7662 54.8035 32.9281 172.5390 123 T 4.9919 8.4303 122.1712 62.6364 69.3325 174.4530 124 H 4.6461 8.9520 124.8664 54.3861 29.7116 174.0366 125 P 4.4101 0.0000 0.0000 62.7173 31.9024 176.6250 126 S 4.2510 8.5425 115.1322 59.0723 62.7006 174.2571 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 N 8.41 4.70 0.00 2.97 2.80 0.00 0.00 6.79 6.82 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 4 T 8.25 4.68 4.30 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 1.25 0.00 0.00 5 T 9.05 4.51 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 1.25 0.00 0.00 6 Y 8.58 3.96 0.00 3.11 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 7 V 7.97 3.65 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 1.07 0.00 0.00 1.00 0.00 0.00 8 Q 8.18 4.06 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 9 E 8.24 4.09 0.00 1.81 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 2.59 2.61 0.00 10 Y 7.89 3.55 0.00 2.46 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 11 H 8.41 4.30 0.00 3.27 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.88 4.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.34 1.22 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.36 0.44 0.00 0.00 14 V 7.61 3.29 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 0.86 0.00 0.00 0.24 0.00 0.00 15 E 7.76 3.94 0.00 2.34 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 2.32 2.19 0.00 16 V 7.27 3.68 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 0.90 0.00 0.00 1.05 0.00 0.00 17 L 8.00 3.79 0.00 1.47 1.44 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.42 4.06 0.00 4.00 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 19 K 7.90 4.02 0.00 2.01 2.06 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.61 7.81 20 Y 7.96 4.21 0.00 3.02 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 21 N 8.36 4.16 0.00 2.93 2.85 0.00 0.00 6.74 7.17 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 22 E 8.65 4.00 0.00 2.07 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 2.32 0.00 23 G 8.49 3.76 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 0.00 0.00 0.00 24 G 7.94 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.06 0.00 1.87 1.89 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.73 7.81 26 K 8.22 4.25 0.00 1.87 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.53 7.81 27 A 7.64 3.77 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.63 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.18 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 30 T 7.78 3.81 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 1.16 0.00 0.00 31 I 7.28 3.89 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 1.01 0.00 0.00 *33 R 8.05 4.18 0.00 1.34 1.74 0.00 3.04 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.38 0.00 34 P 0.00 4.36 0.00 2.09 2.11 0.00 3.91 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 2.07 0.00 35 A 8.16 4.12 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 36 F 8.10 5.31 0.00 3.33 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 37 S 9.05 4.43 0.00 3.98 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 38 S 8.96 4.27 0.00 4.05 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 39 Q 7.93 4.31 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 40 A 8.20 5.17 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.90 4.11 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 1.27 0.00 0.00 42 I 7.99 4.94 1.57 0.00 0.00 0.58 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 1.54 0.64 0.00 0.00 43 F 9.07 5.43 0.00 2.92 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 44 G 8.99 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 0.00 0.00 0.00 45 V 7.97 4.85 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 0.92 0.00 0.00 0.87 0.00 0.00 46 D 8.75 4.84 0.00 2.97 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 47 V 8.34 3.68 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 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.24 4.64 0.00 2.82 2.73 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 49 N 8.37 4.31 0.00 2.86 2.93 0.00 0.00 6.85 7.15 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 50 K 8.14 4.46 0.00 2.18 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.51 7.81 51 L 8.29 4.40 0.00 1.52 1.55 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 T 10.06 4.70 4.30 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 1.35 0.00 0.00 53 G 9.36 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 54 G 6.94 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 55 P 0.00 4.30 0.00 2.06 1.91 0.00 3.49 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 2.05 2.03 0.00 56 I 7.92 3.14 1.60 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.28 0.68 0.00 0.00 57 Q 7.94 3.87 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 58 G 7.80 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 0.00 0.00 0.00 59 L 7.36 3.61 0.00 1.33 1.11 0.63 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.24 4.37 0.00 3.12 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 61 D 8.40 4.33 0.00 2.77 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 62 V 7.48 3.51 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 0.75 0.00 0.00 0.88 0.00 0.00 63 I 7.67 3.21 1.94 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.88 0.00 0.00 64 D 8.14 4.56 0.00 2.74 2.72 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 65 N 8.23 4.78 0.00 2.79 2.87 0.00 0.00 6.79 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 66 V 7.86 4.24 2.40 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 1.04 0.00 0.00 0.99 0.00 0.00 67 F 7.63 4.59 0.00 3.11 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 68 H 8.16 5.17 0.00 3.02 3.17 0.00 5.68 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 69 P 0.00 4.42 0.00 1.96 2.03 0.00 3.68 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 2.06 2.31 0.00 70 S 9.37 4.74 0.00 3.71 3.90 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 71 P 0.00 4.25 0.00 2.17 2.20 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 72 E 8.01 4.39 0.00 1.96 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 2.24 2.22 0.00 73 A 7.83 4.56 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 74 K 8.99 4.67 0.00 1.71 1.68 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.56 7.81 75 A 8.87 5.37 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 76 A 9.26 4.60 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 I 8.59 4.64 1.90 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 1.25 0.61 0.86 0.00 0.00 78 A 8.80 4.25 1.33 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 79 R 7.69 4.64 0.00 1.95 1.84 0.00 3.44 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 80 I 8.59 4.99 2.04 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.73 0.00 0.00 81 D 9.15 4.98 0.00 2.72 2.65 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 0.00 82 I 8.61 4.89 1.85 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.51 0.92 0.00 0.00 83 V 8.98 4.33 2.16 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 1.04 0.00 0.00 1.00 0.00 0.00 84 G 8.96 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 85 T 8.96 4.01 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 1.11 0.00 0.00 86 A 8.20 5.59 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 87 A 9.11 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.22 5.37 0.00 3.93 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 89 A 9.13 5.23 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 90 R 9.17 5.12 0.00 2.11 1.89 0.00 3.22 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.15 0.00 91 I 8.85 5.14 2.20 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 1.17 0.00 0.00 92 D 9.01 5.50 0.00 2.72 2.60 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 0.00 0.00 0.00 0.00 93 T 8.97 5.17 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 94 D 9.16 4.98 0.00 2.59 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 95 D 8.42 4.04 0.00 2.82 2.72 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 96 I 7.99 4.18 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.85 1.36 0.00 0.00 97 S 10.03 3.58 0.00 3.42 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 98 G 8.26 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.75 4.80 0.00 2.76 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 0.00 0.00 0.00 0.00 100 R 8.15 4.92 0.00 1.79 1.68 0.00 3.05 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 101 F 9.33 5.73 0.00 3.09 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 0.00 102 T 9.05 5.13 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 0.82 0.00 0.00 103 D 9.33 5.37 0.00 2.73 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 0.00 0.00 0.00 104 F 8.87 5.43 0.00 2.87 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 0.00 105 F 9.70 5.38 0.00 2.92 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 0.00 106 N 9.25 5.47 0.00 2.70 2.80 0.00 0.00 6.56 7.50 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 0.00 107 L 9.16 5.51 0.00 1.69 1.79 0.83 0.41 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 0.00 108 L 9.02 5.38 0.00 1.57 1.46 0.95 0.90 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 0.00 109 K 8.37 3.81 0.00 0.79 0.86 0.00 1.14 0.00 0.00 1.21 0.00 0.00 2.49 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.77 0.21 7.81 110 V 8.48 4.07 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 0.88 0.00 0.00 111 E 9.79 3.85 0.00 2.06 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 2.19 2.24 0.00 112 G 8.44 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 0.00 113 K 7.69 4.62 0.00 1.60 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.51 7.81 114 W 8.83 4.72 0.00 3.13 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 0.00 115 T 9.08 4.80 4.27 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 1.30 0.00 0.00 116 V 8.81 4.31 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 1.15 0.00 0.00 0.62 0.00 0.00 117 V 9.16 4.39 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 0.68 0.00 0.00 1.06 0.00 0.00 118 S 8.02 5.11 0.00 3.93 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 0.00 119 K 9.21 4.82 0.00 1.74 1.51 0.00 1.32 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.01 0.21 7.81 120 I 8.96 5.77 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.88 0.97 0.00 0.00 121 Y 7.86 5.35 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 0.00 122 H 9.52 4.98 0.00 3.26 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.43 4.99 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 1.13 0.00 0.00 124 H 8.95 4.65 0.00 3.12 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.41 0.00 2.20 2.09 0.00 3.88 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 2.03 2.04 0.00 126 S 8.54 4.25 0.00 3.86 3.76 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 * Residues marked with a * may have inaccurate shift predictions.