NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1818 8.2493 123.5904 52.2433 20.2075 175.9999 *2 T 4.1474 7.8315 109.3542 61.4890 71.2002 174.4935 3 Q 3.9491 8.3796 121.6782 59.4612 28.8095 178.1226 4 E 3.9647 8.1238 119.1971 58.7647 29.9495 177.8123 5 T 4.2139 7.5586 106.7991 62.5645 69.1827 176.6095 6 A 4.0616 7.5361 123.3117 54.6200 18.8088 178.4996 7 L 4.4438 8.0852 115.2114 55.8495 41.5555 179.7698 8 G 3.7379 7.7170 105.8817 47.7021 0.0000 176.3260 9 A 3.9697 7.8992 123.8268 54.4261 19.0362 179.2802 10 A 3.9439 8.2057 117.3742 55.0081 18.4619 178.4017 11 L 4.6044 7.9497 113.8489 55.5436 41.0590 178.3716 12 K 3.9982 8.0422 122.6757 60.0589 31.8472 178.8857 13 S 4.0660 8.0048 112.3788 61.4651 63.2691 175.4547 14 A 4.1285 8.0888 124.2897 55.1019 17.7744 179.7081 15 V 3.6446 7.4008 114.5941 66.0475 31.7352 177.6831 16 Q 4.2736 8.0582 115.1198 57.1960 28.7441 177.2183 17 T 4.2011 7.4403 117.5819 62.9115 69.5577 174.4240 *19 S 4.3073 7.4106 113.8253 57.8269 64.6310 174.7838 20 K 3.9550 8.4147 120.7583 59.2398 31.7546 179.4417 21 K 3.8440 8.0541 119.7286 59.5383 31.8693 178.5847 22 K 3.9496 7.7893 118.4369 59.3230 32.2077 178.2444 23 Q 4.0879 8.0797 119.1009 59.5187 29.2349 177.9771 24 T 3.9953 8.3569 116.9866 66.5997 68.4791 177.5668 25 E 4.2930 7.9322 119.1664 56.4481 29.3697 179.3173 *27 I 3.3180 7.7837 120.3387 61.2512 39.3081 177.8763 28 A 3.9057 8.0326 121.8454 55.5058 18.2096 179.2604 29 D 4.3812 8.2084 117.2571 57.8448 40.8174 178.7961 30 H 4.0644 8.0673 117.9968 59.2574 30.0410 177.2221 31 I 3.6874 7.7687 121.6348 64.7722 36.7146 178.1566 32 Y 4.3320 8.0483 116.0389 60.2979 37.7407 177.8273 33 G 3.7848 7.7347 105.5158 46.2189 0.0000 175.0093 34 K 4.3300 7.9396 120.1240 55.7641 33.1880 175.3753 35 Y 4.8007 7.5681 117.2629 56.1565 38.7558 175.6359 36 D 4.4952 9.1065 126.2544 57.9461 40.9613 179.7309 37 V 3.5318 7.9486 111.6836 63.8749 31.4700 178.4667 38 F 3.7457 8.3128 117.7118 59.9568 38.8640 177.7350 39 K 4.1923 8.3262 117.3547 59.1996 31.9744 177.7096 40 R 4.5651 8.0754 115.0208 54.5352 31.5989 176.1661 41 F 3.7809 7.6724 116.9743 58.4585 36.9233 175.3897 42 K 4.4572 7.8731 118.4848 54.6767 33.9254 177.2701 43 P 4.3176 0.0000 0.0000 63.2394 32.3159 175.3088 44 L 5.0001 8.8944 124.1669 53.0282 42.9411 176.4749 45 A 4.0689 8.7966 124.5287 52.3317 19.3977 177.3929 46 L 3.9185 8.5551 121.3824 56.3589 41.9221 177.4280 47 G 3.8771 8.8813 109.6187 46.9948 0.0000 175.5089 48 I 3.8018 7.4748 121.8573 63.1540 37.7962 177.1964 49 D 4.3505 8.1019 120.0858 56.8435 39.1315 178.6275 50 Q 4.0333 8.0336 119.2040 58.4196 28.6780 178.3466 51 D 4.3409 7.7164 119.0380 57.2016 40.8588 178.7500 52 L 3.8991 8.0462 119.5238 57.8408 41.4269 179.6292 53 I 3.6928 7.5370 118.1037 64.2543 37.1246 177.9666 54 A 4.1249 7.7292 120.0430 55.3279 18.3474 179.3918 55 A 4.1652 8.0918 117.6821 53.7684 20.1074 177.8743 56 L 4.9820 8.0655 116.5187 51.7580 41.5943 175.7258 57 P 4.3469 0.0000 0.0000 65.0170 31.6034 178.1591 58 Q 4.2963 7.6700 115.3821 56.2084 29.1369 174.7338 59 Y 4.9311 7.2533 115.8348 55.5312 41.3873 175.4277 60 D 4.4420 8.4810 120.6904 54.2160 42.6231 177.3410 61 A 3.9748 8.6816 128.5406 55.3249 18.6052 179.4808 62 A 3.9342 8.1712 118.7732 55.3881 18.4763 179.6640 63 L 4.0306 7.8434 116.8021 57.6005 41.8036 179.5276 64 I 3.6552 7.7326 120.0169 64.1407 36.9393 178.2672 65 A 3.9909 8.2416 121.9100 54.8112 18.1437 179.5750 66 R 3.7917 8.0539 117.3132 59.6408 30.1985 178.8137 67 V 3.5489 7.6256 117.8841 65.8876 31.4761 177.5039 68 L 3.9080 7.9592 119.7162 58.3429 41.6983 178.8846 69 A 4.0357 7.9550 119.2160 55.2904 18.3719 179.0761 70 N 4.4931 8.4878 115.1926 56.4868 38.6474 177.1910 71 H 4.4220 8.3515 119.8217 59.5365 29.8981 176.6639 72 C 3.8367 7.9231 115.4471 60.4588 28.0712 174.7821 73 R 4.6290 7.2550 115.5862 55.2584 30.0281 176.7005 74 R 4.2813 7.6915 119.5433 55.4863 32.0259 175.3041 75 P 4.4577 0.0000 0.0000 66.2047 31.3462 178.8374 76 R 3.7453 7.8006 116.5627 59.4843 29.7710 177.8061 77 Y 4.2161 8.3690 119.6480 60.5884 38.7715 177.4904 78 L 3.9946 8.0961 119.4989 57.8624 41.7333 179.4875 79 K 3.9319 8.5369 118.5320 59.3614 31.9698 179.2750 80 A 3.9266 7.9059 121.0327 55.0413 18.0617 179.6383 81 L 3.7518 7.7591 116.6305 57.9096 41.7648 179.3073 82 A 4.0941 8.0012 119.7972 55.1562 18.3186 179.3783 83 R 3.9436 7.8809 116.8379 59.3012 30.6200 177.8325 84 G 3.6690 8.0457 106.0062 45.4179 0.0000 172.1929 85 G 3.7421 8.4034 106.0501 44.3020 0.0000 172.6784 86 K 4.1461 8.0897 118.4629 56.5274 32.9056 177.2301 87 R 4.8527 8.4023 121.9582 55.3570 32.5659 175.4312 88 F 5.3884 9.2027 119.3196 55.9526 43.2602 175.0502 89 D 4.8502 8.8960 122.4619 52.0510 41.6100 177.1005 90 L 3.8754 8.5577 117.3783 57.8034 41.5819 177.9315 91 N 4.7455 8.3530 114.0240 52.7562 38.4222 174.1435 92 N 4.4249 8.3563 115.4678 55.0000 37.9536 173.8197 93 R 4.7542 7.9354 113.8005 53.4238 33.5839 175.8790 94 F 4.3534 8.2400 120.3995 58.1655 39.5306 175.4839 95 K 4.1324 9.0167 125.7901 56.0945 33.8614 176.6043 96 G 3.8230 9.4871 118.2013 44.6938 0.0000 169.6455 97 E 4.9795 7.9922 115.1159 54.8177 32.9060 174.9089 98 V 4.0989 8.5644 121.7532 62.7485 31.7985 176.0832 99 T 4.1429 9.0876 118.9601 60.8037 69.9217 173.9148 100 P 4.1921 0.0000 0.0000 65.7860 31.2639 178.6766 101 E 3.9250 8.0573 117.6230 59.1704 29.7123 178.3524 102 E 3.9521 8.1662 118.7227 59.5615 29.5522 179.2186 103 Q 3.9109 8.4241 119.5353 59.0813 28.8992 178.0331 104 A 4.0048 7.9464 120.8840 55.3027 18.7404 179.4064 105 I 3.8091 7.8897 118.1377 64.3899 37.1761 178.5631 106 A 4.0528 8.0284 121.7170 55.1817 17.9970 179.6111 107 Q 4.0946 7.9980 115.3474 58.3150 28.8562 177.5610 108 N 4.6072 7.5849 115.2463 52.9765 39.5201 174.7915 109 H 4.2579 7.7413 122.1179 55.1017 30.5826 174.4711 110 P 5.0915 0.0000 0.0000 65.0711 29.7287 178.8382 111 F 4.4506 8.0846 116.5451 60.7789 38.7624 177.6542 112 V 3.8137 7.9020 116.9896 65.7892 31.3284 177.5482 113 Q 4.5096 8.2812 119.5891 58.5952 28.3931 179.8245 114 Q 3.8932 7.4754 116.0286 59.3388 28.9715 177.8889 115 A 4.1092 7.2953 119.7110 54.2309 18.5643 178.1285 116 L 4.3899 7.7717 115.1023 56.2687 43.5114 176.8778 117 Q 4.1753 7.5635 122.1180 56.3232 28.6216 176.2668 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 0 A 8.25 4.18 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 *2 T 7.83 4.15 4.23 0.00 0.00 0.00 0.00 0.00 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 3 Q 8.38 3.95 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 4 E 8.12 3.96 0.00 1.98 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 2.23 2.29 0.00 5 T 7.56 4.21 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 1.22 0.00 0.00 6 A 7.54 4.06 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 7 L 8.09 4.44 0.00 1.66 1.65 0.90 0.73 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 8 G 7.72 3.74 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 0.00 0.00 0.00 9 A 7.90 3.97 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 10 A 8.21 3.94 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 11 L 7.95 4.60 0.00 1.78 1.83 0.87 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.04 4.00 0.00 2.01 1.90 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.42 7.81 13 S 8.00 4.07 0.00 4.06 3.98 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 14 A 8.09 4.13 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 15 V 7.40 3.64 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 16 Q 8.06 4.27 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.45 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 17 T 7.44 4.20 4.55 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 1.22 0.00 0.00 *19 S 7.41 4.31 0.00 4.03 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 20 K 8.41 3.96 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 21 K 8.05 3.84 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 22 K 7.79 3.95 0.00 1.82 1.82 0.00 1.89 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 23 Q 8.08 4.09 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 24 T 8.36 4.00 4.36 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 1.19 0.00 0.00 25 E 7.93 4.29 0.00 2.17 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 0.00 2.32 2.51 0.00 *27 I 7.78 3.32 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.13 0.66 0.00 0.00 28 A 8.03 3.91 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 29 D 8.21 4.38 0.00 2.75 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 30 H 8.07 4.06 0.00 3.25 3.38 0.00 5.69 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 31 I 7.77 3.69 1.57 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 -0.45 0.00 0.00 32 Y 8.05 4.33 0.00 3.01 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 33 G 7.73 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 34 K 7.94 4.33 0.00 1.35 1.23 0.00 1.46 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.77 0.79 7.81 35 Y 7.57 4.80 0.00 3.41 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 36 D 9.11 4.50 0.00 2.77 2.77 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 37 V 7.95 3.53 1.93 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 0.97 0.00 0.00 0.85 0.00 0.00 38 F 8.31 3.75 0.00 3.10 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 39 K 8.33 4.19 0.00 2.07 2.12 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.67 7.81 40 R 8.08 4.57 0.00 2.03 1.96 0.00 3.38 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 41 F 7.67 3.78 0.00 3.19 3.22 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 42 K 7.87 4.46 0.00 1.44 1.42 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.20 1.21 7.81 43 P 0.00 4.32 0.00 2.28 1.94 0.00 3.73 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 2.15 2.17 0.00 44 L 8.89 5.00 0.00 1.55 1.51 0.33 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.80 4.07 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 46 L 8.56 3.92 0.00 1.65 1.64 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.88 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 48 I 7.47 3.80 2.06 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 1.56 1.24 0.92 0.00 0.00 49 D 8.10 4.35 0.00 2.94 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 50 Q 8.03 4.03 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 51 D 7.72 4.34 0.00 2.96 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 52 L 8.05 3.90 0.00 1.91 1.67 0.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.54 3.69 1.87 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 1.45 0.57 0.91 0.00 0.00 54 A 7.73 4.12 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 55 A 8.09 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.07 4.98 0.00 1.78 1.77 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.35 0.00 2.13 2.16 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 58 Q 7.67 4.30 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.85 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 59 Y 7.25 4.93 0.00 2.96 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 60 D 8.48 4.44 0.00 2.96 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 61 A 8.68 3.97 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 62 A 8.17 3.93 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 63 L 7.84 4.03 0.00 1.83 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.73 3.66 2.01 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 1.41 0.96 0.85 0.00 0.00 65 A 8.24 3.99 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 66 R 8.05 3.79 0.00 1.90 2.06 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 67 V 7.63 3.55 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 0.79 0.00 0.00 0.90 0.00 0.00 68 L 7.96 3.91 0.00 1.77 1.86 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.96 4.04 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 70 N 8.49 4.49 0.00 2.94 2.96 0.00 0.00 6.62 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 71 H 8.35 4.42 0.00 3.36 3.55 0.00 5.78 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 72 C 7.92 3.84 0.00 2.92 2.85 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 73 R 7.26 4.63 0.00 2.08 2.06 0.00 3.13 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 74 R 7.69 4.28 0.00 2.27 1.95 0.00 3.38 0.00 0.00 3.57 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.06 0.00 75 P 0.00 4.46 0.00 1.89 1.59 0.00 3.51 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 1.68 1.16 0.00 76 R 7.80 3.75 0.00 1.33 0.90 0.00 2.77 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 77 Y 8.37 4.22 0.00 3.38 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 78 L 8.10 3.99 0.00 1.97 1.73 0.91 1.37 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 79 K 8.54 3.93 0.00 1.87 1.84 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.67 7.81 80 A 7.91 3.93 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 81 L 7.76 3.75 0.00 1.63 1.66 0.96 0.50 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 82 A 8.00 4.09 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 R 7.88 3.94 0.00 1.80 2.13 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 84 G 8.05 3.67 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 0.00 0.00 0.00 85 G 8.40 3.74 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 0.00 0.00 0.00 86 K 8.09 4.15 0.00 0.97 0.81 0.00 1.30 0.00 0.00 1.31 0.00 0.00 2.40 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.81 0.21 7.81 87 R 8.40 4.85 0.00 1.89 1.85 0.00 3.12 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 88 F 9.20 5.39 0.00 2.88 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 89 D 8.90 4.85 0.00 2.80 2.85 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 90 L 8.56 3.88 0.00 1.59 1.59 0.69 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.35 4.75 0.00 2.86 2.88 0.00 0.00 6.87 8.00 0.00 0.00 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 N 8.36 4.42 0.00 2.93 2.97 0.00 0.00 6.93 7.16 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 93 R 7.94 4.75 0.00 1.95 1.74 0.00 3.18 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 94 F 8.24 4.35 0.00 2.73 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 95 K 9.02 4.13 0.00 1.66 1.67 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.39 7.81 96 G 9.49 3.82 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 0.00 0.00 0.00 97 E 7.99 4.98 0.00 1.96 1.75 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 2.12 2.18 0.00 98 V 8.56 4.10 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 0.80 0.00 0.00 0.90 0.00 0.00 99 T 9.09 4.14 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 100 P 0.00 4.19 0.00 2.16 2.13 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 101 E 8.06 3.93 0.00 2.07 1.93 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 2.37 2.45 0.00 102 E 8.17 3.95 0.00 2.22 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 2.34 2.32 0.00 103 Q 8.42 3.91 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 104 A 7.95 4.00 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 0.00 105 I 7.89 3.81 1.88 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 1.45 1.09 0.92 0.00 0.00 106 A 8.03 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 0.00 107 Q 8.00 4.09 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 108 N 7.58 4.61 0.00 2.84 2.83 0.00 0.00 6.93 8.51 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 0.00 109 H 7.74 4.26 0.00 3.21 3.15 0.00 5.59 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 5.09 0.00 2.07 2.03 0.00 3.16 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 111 F 8.08 4.45 0.00 3.12 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 0.00 112 V 7.90 3.81 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 1.22 0.00 0.00 1.05 0.00 0.00 113 Q 8.28 4.51 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 114 Q 7.48 3.89 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 115 A 7.30 4.11 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 0.00 116 L 7.77 4.39 0.00 1.64 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.56 4.18 0.00 2.48 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.