NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1942 8.1727 122.0567 56.3173 34.0863 173.9852 2 V 4.5807 8.2686 127.4765 60.9126 32.1270 174.5537 3 F 4.4627 9.3721 127.8752 57.2952 40.1921 175.5053 4 G 3.8371 9.1631 108.8660 45.6770 0.0000 174.6855 5 R 3.4650 8.7781 120.9581 59.7873 30.0238 179.7626 6 C 4.3282 8.0699 115.5004 59.6658 35.5746 175.5564 7 E 3.8983 8.1085 120.6729 59.2198 29.2122 178.5440 8 L 3.4074 8.1758 120.3980 57.8311 42.0386 178.5049 9 A 3.9035 7.9761 120.5645 55.3223 18.3108 179.5062 10 A 3.8885 8.2413 119.0114 55.2593 18.5696 179.7793 11 A 3.9776 7.9318 119.1978 55.4650 18.4268 179.8605 12 M 3.8459 8.1680 117.5455 58.1533 31.9100 178.8321 13 K 3.8418 8.1291 119.9211 59.6190 32.1974 178.7981 14 R 3.8316 7.7659 117.4663 59.4000 29.9590 177.1435 15 H 4.6149 7.6658 113.2650 55.0466 28.8411 175.2686 16 G 3.8034 8.0299 108.8749 46.7821 0.0000 175.1780 17 L 3.8075 7.7026 121.0396 55.2257 42.2243 176.4537 18 D 4.6002 7.9455 118.1723 55.4506 41.2671 175.0448 19 N 4.3817 9.2851 123.1038 54.1274 36.9229 173.3234 20 Y 4.1705 8.2811 120.9048 58.7648 38.9107 176.2579 21 R 3.7256 9.0497 126.3783 57.3110 27.7193 177.3440 22 G 3.7296 8.2788 104.6761 45.5670 0.0000 173.7284 23 Y 4.4458 7.9872 118.9657 55.8950 38.5825 175.7950 24 S 4.6638 8.5632 119.9018 57.8389 64.1104 174.8903 25 L 4.2913 8.8222 122.9741 58.6553 41.6087 179.5425 26 G 3.9501 8.3788 105.0026 48.0408 0.0000 175.1561 27 N 4.4943 8.3331 118.5401 56.0874 38.5580 177.5818 28 W 3.8530 7.9022 119.7974 59.6194 29.2518 178.6896 29 V 3.5786 7.9318 118.3063 66.0085 31.1021 177.2600 30 C 2.4973 8.0502 118.0954 58.8855 44.2529 175.3054 31 A 3.9146 7.9538 122.2172 55.1881 17.8907 179.4449 32 A 4.0544 7.8097 120.5229 54.4444 18.4453 179.5838 33 K 2.4800 7.4649 117.9769 59.3234 31.8592 178.7732 34 F 4.6049 7.0042 114.9052 59.3583 39.0947 177.5065 35 E 4.3613 8.1936 118.4564 58.3645 29.7104 177.4697 36 S 4.5224 7.9434 109.1049 56.7047 64.9395 173.6258 37 N 3.9738 8.6095 118.1998 54.8616 37.6610 174.2650 38 F 4.1659 8.0378 111.1926 57.6055 36.4072 173.6356 39 N 5.2758 7.9369 121.0070 52.1533 39.2608 176.0890 40 T 4.0207 8.9593 117.3661 64.3181 69.0667 175.6711 41 Q 4.4513 8.0960 118.9142 55.5303 29.1909 175.5047 42 A 4.3707 7.7710 122.5225 52.3563 19.4065 177.1686 43 T 4.9781 8.2991 110.8935 60.2262 72.3549 173.1547 44 N 4.9416 8.5758 120.4017 51.9723 43.3343 173.6187 45 R 4.6388 8.6272 124.0177 55.8406 31.6286 175.0774 46 N 5.0949 9.0015 122.9696 51.4440 41.3819 176.1839 47 T 3.8992 8.5348 110.4631 64.7776 68.9667 175.1237 48 D 4.4667 7.9853 118.7518 53.7431 39.5464 176.9135 49 G 3.9257 8.1256 109.5737 45.1767 0.0000 173.9773 50 S 4.6444 8.1728 114.8796 58.1704 65.2982 173.1803 51 T 5.0321 9.0581 115.9069 61.9382 72.7673 173.0060 52 D 5.4091 9.1638 125.0752 53.3759 43.1774 175.1641 53 Y 4.9296 9.0099 120.1207 57.5189 42.1118 176.9599 54 G 4.1212 9.0534 111.1822 45.5057 0.0000 173.4577 55 I 3.9307 8.3091 116.3815 62.8540 37.9504 177.5622 56 L 4.5748 7.9625 116.7562 53.4983 42.5000 176.2854 57 Q 3.4741 7.9401 116.8005 57.1063 26.6833 174.2680 58 I 4.1644 8.0733 119.0886 61.0831 39.1001 176.9085 59 N 5.3588 9.1341 126.1053 53.5215 39.7152 175.7252 60 S 4.5391 9.1259 120.6560 60.7760 63.5630 175.4313 61 R 3.8063 8.8472 121.6414 58.1174 30.3770 178.1730 62 W 4.3016 8.1397 116.6618 56.8507 31.8475 176.6035 63 W 4.9130 8.4854 117.3982 57.4620 30.7887 173.8369 64 C 5.4860 8.2052 111.7532 53.7640 45.1512 172.7794 65 N 5.0417 9.0340 118.5249 51.8284 40.1987 174.5231 66 D 4.7762 8.7781 123.9956 52.2675 40.2037 176.0794 67 G 4.0033 8.4158 106.9144 46.5227 0.0000 175.3090 68 R 4.5922 8.2998 110.6146 56.7550 31.3484 175.7806 69 T 4.3739 7.5789 116.7691 60.4167 67.9391 170.2295 70 P 3.9443 0.0000 0.0000 63.9024 32.2287 176.7103 71 G 3.8841 8.6744 112.1981 46.2106 0.0000 172.1366 72 S 4.4698 7.3816 113.1318 56.5757 66.6527 174.8493 73 R 4.3385 8.1489 121.0146 55.3102 31.9359 176.3531 74 N 5.0536 8.0305 116.3404 51.9881 38.7281 175.0744 75 L 4.0848 8.5105 120.7155 57.7434 42.3664 178.2603 76 C 4.5917 8.7224 113.8088 56.4556 41.0956 172.9244 77 N 4.2825 8.0185 117.0809 53.3487 36.0936 173.6747 78 I 4.5674 7.2033 110.5733 58.7999 41.5016 173.1113 79 P 4.7548 0.0000 0.0000 62.4889 32.3284 178.0792 80 C 4.0280 8.6702 119.1140 60.0430 35.7155 176.7565 81 S 3.9139 7.8735 115.1031 61.1387 62.2965 176.1166 82 A 4.1076 7.8072 123.4023 54.2776 17.9229 178.5603 83 L 4.3109 7.9042 116.3729 55.5029 41.8057 177.7631 84 L 5.4654 7.4747 117.4672 53.7225 42.3428 176.8265 85 S 4.3381 7.7899 113.6968 58.0904 62.8251 174.1850 86 S 4.2603 8.5267 118.6068 59.9266 63.2512 173.5049 87 D 4.7208 7.9840 122.0400 53.1255 41.1268 176.3786 88 I 4.0563 8.3249 120.1138 61.6532 37.8377 177.2875 89 T 3.5810 7.7261 119.1052 67.1490 68.3579 175.7448 90 A 3.9430 7.9266 121.6257 55.4011 18.3397 179.7113 91 S 4.0611 7.9162 113.0796 61.6406 62.9767 176.9595 92 V 3.2644 7.8871 121.2271 65.9329 30.9576 177.8452 93 N 4.1727 8.1891 116.4508 56.4404 38.3793 176.6399 94 C 4.3205 8.2190 119.7106 59.4218 44.4743 175.4032 95 A 4.0494 8.1645 122.7188 55.0253 18.0294 179.7265 96 K 3.5607 7.8455 117.0244 59.3896 31.7936 179.7250 97 K 4.0337 7.3491 116.2961 59.3933 32.0586 179.0770 98 I 2.9842 7.0628 119.0060 64.2175 36.7581 178.7639 99 V 3.9120 8.1673 119.4122 64.2745 31.0409 178.4796 100 S 4.4171 7.5333 112.1660 59.2692 62.5854 174.0416 *103 N 4.5849 8.1014 118.4758 52.4637 39.3790 175.2776 104 G 3.8290 7.9782 108.1898 46.9985 0.0000 176.6472 105 M 4.1132 8.1529 121.8496 56.4369 31.7286 177.7937 106 N 4.8181 7.8602 115.8697 55.4331 38.8320 176.1610 107 A 3.8033 7.5158 120.8781 53.8910 18.6809 177.8168 108 W 4.5906 8.1712 116.9874 55.0694 30.0283 177.2384 109 V 3.7189 8.5119 125.5492 65.0270 30.7567 178.0961 110 A 4.0421 8.4446 121.2496 54.3204 18.1756 179.5304 111 W 3.9419 8.2895 126.5797 60.7026 30.7585 177.9902 112 R 3.6461 8.1885 117.2343 59.2386 29.5942 177.4952 113 N 4.5963 8.0926 114.1243 53.9918 39.1347 175.8872 114 R 4.4475 7.9568 115.8069 55.3930 32.6021 175.0085 115 C 4.7496 7.6746 114.0711 57.8531 42.5351 174.2668 116 K 3.2912 6.9285 120.2963 57.8368 31.6548 176.6338 117 G 3.8386 8.8851 113.6427 45.7932 0.0000 172.4455 118 T 4.5660 7.4339 108.9826 59.3724 71.5347 175.5735 119 D 4.6776 8.1951 121.1601 53.4810 38.9179 176.4424 120 V 4.1121 8.0606 117.8845 63.7056 31.9560 177.1676 121 Q 4.0819 8.0875 118.1506 59.0871 28.8208 178.1524 122 A 4.0366 8.0580 121.5110 54.5347 18.0943 179.2299 123 W 4.2412 8.2772 116.6008 58.3206 29.4000 176.8693 124 I 4.5298 7.6439 111.8189 60.0050 37.5910 175.5583 125 R 4.0271 7.5067 117.6766 57.8677 29.4450 177.5109 126 G 3.9366 8.7495 107.6394 46.0489 0.0000 174.3374 127 C 4.4618 7.7312 116.6676 56.1471 41.1034 173.6861 128 R 4.3487 8.3487 123.4673 55.1331 29.3090 176.2336 129 L 4.3092 8.3025 124.3516 54.7724 41.8981 176.8331 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 K 8.17 4.19 0.00 1.77 1.68 0.00 1.33 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.21 7.81 2 V 8.27 4.58 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 0.97 0.00 0.00 0.99 0.00 0.00 3 F 9.37 4.46 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 4 G 9.16 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.78 3.46 0.00 2.04 2.00 0.00 3.62 0.00 0.00 3.69 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 6 C 8.07 4.33 0.00 3.01 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 7 E 8.11 3.90 0.00 2.07 2.32 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 2.73 2.45 0.00 8 L 8.18 3.41 0.00 1.32 1.34 0.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.98 3.90 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 10 A 8.24 3.89 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 11 A 7.93 3.98 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 12 M 8.17 3.85 0.00 1.85 2.17 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 13 K 8.13 3.84 0.00 1.85 1.93 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 14 R 7.77 3.83 0.00 1.85 2.01 0.00 3.24 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 15 H 7.67 4.61 0.00 3.20 3.14 0.00 5.97 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.03 3.80 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 0.00 0.00 0.00 17 L 7.70 3.81 0.00 1.43 0.74 -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.95 4.60 0.00 2.64 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 19 N 9.29 4.38 0.00 3.06 2.95 0.00 0.00 6.22 7.46 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 20 Y 8.28 4.17 0.00 3.27 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 21 R 9.05 3.73 0.00 2.25 2.12 0.00 3.43 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.63 0.00 22 G 8.28 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 23 Y 7.99 4.45 0.00 3.34 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 24 S 8.56 4.66 0.00 4.10 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 25 L 8.82 4.29 0.00 2.07 1.83 0.98 1.48 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 26 G 8.38 3.95 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 0.00 0.00 0.00 27 N 8.33 4.49 0.00 2.75 2.55 0.00 0.00 6.97 7.81 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 28 W 7.90 3.85 0.00 3.42 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 29 V 7.93 3.58 2.18 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 1.18 0.00 0.00 1.03 0.00 0.00 30 C 8.05 2.50 0.00 2.41 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 31 A 7.95 3.91 1.06 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 0.00 0.00 32 A 7.81 4.05 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 33 K 7.46 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.35 0.26 7.81 34 F 7.00 4.60 0.00 3.06 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 35 E 8.19 4.36 0.00 2.01 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 0.00 2.59 2.59 0.00 36 S 7.94 4.52 0.00 4.12 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 37 N 8.61 3.97 0.00 2.80 2.88 0.00 0.00 7.20 6.55 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 38 F 8.04 4.17 0.00 3.40 3.17 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 39 N 7.94 5.28 0.00 2.90 2.88 0.00 0.00 6.97 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 40 T 8.96 4.02 4.50 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 1.56 0.00 0.00 41 Q 8.10 4.45 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 42 A 7.77 4.37 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 43 T 8.30 4.98 4.00 0.00 0.00 0.00 0.00 0.00 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 44 N 8.58 4.94 0.00 2.74 2.67 0.00 0.00 6.58 7.73 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 45 R 8.63 4.64 0.00 1.76 1.79 0.00 3.52 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 46 N 9.00 5.09 0.00 2.82 2.71 0.00 0.00 6.68 6.83 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 47 T 8.53 3.90 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 48 D 7.99 4.47 0.00 2.79 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 49 G 8.13 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 0.00 0.00 0.00 50 S 8.17 4.64 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.06 5.03 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 0.61 0.00 0.00 52 D 9.16 5.41 0.00 2.65 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 53 Y 9.01 4.93 0.00 3.00 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 54 G 9.05 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 0.00 0.00 0.00 55 I 8.31 3.93 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 2.45 0.87 0.00 0.00 56 L 7.96 4.57 0.00 1.78 1.92 0.78 0.67 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 57 Q 7.94 3.47 0.00 2.44 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 58 I 8.07 4.16 2.04 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 1.18 0.84 1.07 0.00 0.00 59 N 9.13 5.36 0.00 3.03 3.04 0.00 0.00 6.98 7.63 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 60 S 9.13 4.54 0.00 4.04 4.41 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 61 R 8.85 3.81 0.00 1.75 1.83 0.00 2.78 0.00 0.00 2.80 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 62 W 8.14 4.30 0.00 2.36 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 0.00 0.00 0.00 63 W 8.49 4.91 0.00 3.39 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 64 C 8.21 5.49 0.00 3.10 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 65 N 9.03 5.04 0.00 2.90 2.67 0.00 0.00 7.17 9.28 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 66 D 8.78 4.78 0.00 2.80 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 67 G 8.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 4.59 0.00 1.93 1.97 0.00 3.05 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 1.67 1.64 0.00 69 T 7.58 4.37 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 1.14 0.00 0.00 70 P 0.00 3.94 0.00 1.98 2.01 0.00 3.79 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 2.01 2.10 0.00 71 G 8.67 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 0.00 0.00 0.00 72 S 7.38 4.47 0.00 3.90 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 73 R 8.15 4.34 0.00 1.77 1.81 0.00 3.05 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.00 74 N 8.03 5.05 0.00 2.68 2.64 0.00 0.00 6.97 6.66 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 75 L 8.51 4.08 0.00 1.76 1.89 0.41 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.72 4.59 0.00 3.30 3.21 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 77 N 8.02 4.28 0.00 2.87 2.86 0.00 0.00 6.72 6.98 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 78 I 7.20 4.57 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.97 0.00 0.00 79 P 0.00 4.75 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.67 4.03 0.00 1.99 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 81 S 7.87 3.91 0.00 4.03 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 82 A 7.81 4.11 1.35 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 0.00 0.00 83 L 7.90 4.31 0.00 1.92 1.80 1.02 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.47 5.47 0.00 1.81 1.77 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.79 4.34 0.00 3.84 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 86 S 8.53 4.26 0.00 3.96 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 87 D 7.98 4.72 0.00 2.67 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 88 I 8.32 4.06 1.70 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 1.53 0.50 0.80 0.00 0.00 89 T 7.73 3.58 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 1.18 0.00 0.00 90 A 7.93 3.94 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 91 S 7.92 4.06 0.00 3.96 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 92 V 7.89 3.26 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 0.68 0.00 0.00 0.65 0.00 0.00 93 N 8.19 4.17 0.00 2.84 2.79 0.00 0.00 6.70 8.25 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 94 C 8.22 4.32 0.00 3.08 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 95 A 8.16 4.05 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 96 K 7.85 3.56 0.00 1.70 1.47 0.00 1.29 0.00 0.00 1.09 0.00 0.00 2.25 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.97 7.81 97 K 7.35 4.03 0.00 1.89 1.96 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.63 7.81 98 I 7.06 2.98 1.60 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 -0.30 -0.36 -0.15 0.00 0.00 99 V 8.17 3.91 2.52 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 1.43 0.00 0.00 0.78 0.00 0.00 100 S 7.53 4.42 0.00 4.22 4.02 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 *103 N 8.10 4.58 0.00 3.01 3.08 0.00 0.00 6.05 7.04 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 0.00 104 G 7.98 3.83 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 0.00 0.00 0.00 105 M 8.15 4.11 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.95 0.00 106 N 7.86 4.82 0.00 2.93 3.01 0.00 0.00 6.90 8.31 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 0.00 107 A 7.52 3.80 0.69 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 0.00 0.00 108 W 8.17 4.59 0.00 3.61 3.25 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 0.00 109 V 8.51 3.72 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 0.94 0.00 0.00 0.96 0.00 0.00 110 A 8.44 4.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.29 3.94 0.00 3.36 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.65 0.00 2.08 2.20 0.00 3.36 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 113 N 8.09 4.60 0.00 2.75 2.77 0.00 0.00 6.84 7.22 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 0.00 114 R 7.96 4.45 0.00 1.50 1.22 0.00 2.84 0.00 0.00 2.76 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.00 115 C 7.67 4.75 0.00 2.42 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 0.00 116 K 6.93 3.29 0.00 0.79 1.27 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.19 0.97 7.81 117 G 8.89 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.43 4.57 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 1.21 0.00 0.00 119 D 8.20 4.68 0.00 2.75 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 0.00 120 V 8.06 4.11 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 0.99 0.00 0.00 1.08 0.00 0.00 121 Q 8.09 4.08 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 122 A 8.06 4.04 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 0.00 123 W 8.28 4.24 0.00 3.55 3.40 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 0.00 124 I 7.64 4.53 1.93 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 1.58 0.87 1.03 0.00 0.00 125 R 7.51 4.03 0.00 1.93 1.96 0.00 3.09 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 126 G 8.75 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 0.00 127 C 7.73 4.46 0.00 3.00 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 0.00 128 R 8.35 4.35 0.00 1.76 1.87 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 129 L 8.30 4.31 0.00 1.67 1.55 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.