NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7401 8.4093 118.2242 52.4849 38.9040 174.2588 6 P 4.6409 0.0000 0.0000 62.8972 31.8493 175.3887 7 L 3.9608 8.5860 124.8328 58.6862 42.6551 180.0201 8 E 3.8960 8.5371 118.1523 59.2761 29.5310 178.8808 9 A 4.2222 8.0989 120.3876 55.1628 18.5210 179.1801 10 Q 3.9274 7.9008 118.0219 59.3398 29.1166 178.5398 11 A 3.8871 8.2360 122.0735 55.0169 18.4127 179.6852 12 W 4.2103 8.3335 117.3516 59.7950 28.8494 178.6351 13 A 4.1018 7.8425 119.6102 55.1159 18.0973 179.4250 14 L 4.0982 7.9319 117.4471 58.0124 41.7682 179.7814 15 L 4.0699 8.0025 118.7280 57.3450 41.3201 178.5814 16 E 4.3514 8.1817 116.0992 57.2440 29.4912 176.9658 17 A 4.6638 7.6126 121.1344 51.7257 20.0860 176.3672 18 V 4.3500 7.5822 118.0207 61.6134 32.9599 174.3594 19 Y 4.9720 8.7184 125.2165 56.1847 40.7794 174.7490 20 D 4.6563 8.7269 123.0893 52.6546 41.7321 175.5715 21 P 4.2798 0.0000 0.0000 65.7535 31.5312 177.5379 22 E 4.1489 8.5711 118.2228 58.2260 29.5118 177.4840 23 L 4.4716 8.0508 116.1816 53.7328 43.3081 177.0588 24 G 4.0107 8.5537 106.2842 46.1086 0.0000 173.2213 25 L 5.0330 7.5468 117.9529 52.0389 45.6194 176.0273 26 D 4.3326 7.7845 119.8573 52.7578 40.3097 177.8644 27 V 3.5037 8.2446 114.4983 64.5454 32.0126 179.1982 28 V 3.7065 7.8261 119.3274 66.1030 31.7544 177.7271 29 N 4.4568 8.7239 117.0916 55.4317 38.5601 177.0914 30 L 4.0312 7.6061 119.2394 56.0192 42.3037 177.1880 31 G 4.1619 8.0189 105.4470 47.4740 0.0000 174.3988 32 L 3.9828 7.8630 120.5627 55.4684 42.0958 177.2419 33 I 4.1009 7.7239 119.7934 60.7285 37.3473 174.8108 34 Y 4.9089 8.7286 124.4140 59.9199 39.0523 175.8429 35 D 4.8359 7.8390 116.5783 53.1244 44.9928 174.1759 36 L 4.9322 8.5299 126.4652 53.6259 45.0575 175.2669 37 V 4.5108 9.5611 126.9095 61.2457 34.6198 174.0671 38 V 4.5233 8.7106 128.5906 61.3525 33.3472 175.7758 39 E 4.5546 9.4253 128.1042 53.7299 31.1687 171.8785 40 P 4.4507 0.0000 0.0000 61.5081 32.3762 174.0567 41 P 5.7006 0.0000 0.0000 62.3617 32.5049 175.1875 42 R 5.3233 8.1872 116.2621 54.9368 33.0324 174.2100 43 A 5.0975 9.0441 121.2728 50.4958 22.8664 174.4280 44 Y 5.2584 9.6359 123.6413 55.6807 42.4331 174.6237 45 V 4.4881 7.9329 124.9360 59.8256 34.9957 174.1353 46 R 5.0207 8.4312 124.4547 53.9103 33.0572 174.9928 *48 T 3.9830 8.0847 117.4077 61.9740 68.2390 172.0755 49 L 4.6259 7.8225 121.2154 52.8058 44.5342 176.9739 50 T 3.6445 7.9784 109.0889 62.7387 69.2717 174.7288 51 T 4.8190 7.4153 111.4844 58.8828 71.8863 171.8689 52 P 3.9406 0.0000 0.0000 63.3530 32.1408 176.4496 53 G 3.7729 7.4048 106.3938 46.2093 0.0000 172.9122 54 C 4.5733 8.3441 120.3634 57.8933 28.8893 172.2221 55 P 4.5426 0.0000 0.0000 62.2375 31.7786 177.4722 56 L 3.8653 8.3883 119.3740 57.2002 41.7264 176.8891 57 H 4.8147 7.3892 112.1001 53.6155 30.3710 173.8554 58 D 4.6401 8.3106 126.0942 52.8874 38.7162 176.0652 59 S 4.1095 8.0436 120.3327 60.9650 63.3206 175.5868 60 L 3.9822 7.8661 122.6619 58.1413 41.9772 179.1478 61 G 3.6538 8.2756 107.0438 47.0855 0.0000 175.3561 62 E 3.9109 8.2737 121.4553 59.0066 29.6675 178.7753 63 A 3.9816 8.1532 121.1788 54.9820 18.4253 179.8334 64 V 3.4429 7.8549 116.8313 66.0702 31.6477 178.1983 65 R 3.8237 7.9921 118.4505 59.5238 29.6584 178.5248 66 Q 4.0122 8.1646 117.7908 58.2674 28.8888 178.1137 67 A 4.1235 7.9764 121.7295 55.4343 18.4694 179.7997 68 L 3.9661 7.9644 117.3453 57.4021 41.3451 179.3950 69 S 4.3151 8.0659 113.6596 60.1994 62.7181 175.4615 70 R 4.4590 7.3228 120.7714 55.2536 30.5947 176.0855 71 L 4.1824 7.4540 121.6652 53.2282 42.2725 174.7140 72 P 4.5046 0.0000 0.0000 64.2134 31.7982 175.7689 73 G 3.9566 9.1151 111.1305 45.2033 0.0000 172.9632 74 V 4.2688 7.4043 119.6770 62.3652 31.4951 174.8819 75 E 4.6724 9.1527 127.2942 55.7093 31.2174 175.0723 76 E 4.6005 7.9889 119.7304 55.3946 33.0344 173.6251 77 V 4.7910 8.5359 126.6718 60.9968 34.3103 173.8651 78 E 4.5922 9.2730 129.3860 54.4292 31.8413 174.4933 79 V 4.5241 8.4136 127.1871 61.2817 33.5158 174.3722 80 E 4.4823 8.8905 129.3384 54.8215 31.2394 175.3287 81 V 4.1918 8.2136 125.3648 61.4908 32.5849 174.7455 82 T 4.5057 8.0356 120.7969 60.4661 70.6732 173.3021 83 F 4.9637 8.6635 118.9761 56.8571 39.8362 175.0646 84 E 4.6629 8.2971 121.0542 53.8693 30.8447 174.3311 85 P 4.6862 0.0000 0.0000 60.9728 32.6296 174.0979 86 P 4.7594 0.0000 0.0000 62.1911 32.0504 176.0824 87 W 4.5199 8.9492 131.8581 57.5213 31.6550 174.9494 88 T 4.1930 6.8684 112.5883 59.4372 71.5581 174.6293 89 L 3.6100 7.7813 120.8689 57.0396 41.6889 179.2971 90 A 4.1420 7.3372 120.5062 54.2122 18.0464 178.2228 91 R 4.3367 7.5770 114.3318 56.1292 30.5510 176.6095 92 L 4.3664 7.5607 119.3910 54.4290 42.3328 177.3348 93 S 4.3744 8.7455 117.4595 57.7055 63.8544 174.9156 94 E 3.9110 8.7021 121.8745 59.3446 29.4066 178.5952 95 K 4.0026 7.9959 118.9363 59.5431 32.1826 178.5047 96 A 3.9695 8.0062 121.2375 54.5917 17.9101 178.5907 97 R 3.8403 7.7081 113.8098 56.1643 29.7172 177.8901 98 R 4.4954 7.4550 113.7894 55.9964 30.8627 176.0302 99 L 4.2260 7.4523 118.0799 56.6336 42.1876 178.0546 100 L 4.1015 7.9830 117.8346 57.5223 41.9624 176.5042 101 G 3.6128 8.4410 107.5798 45.3086 0.0000 173.5526 102 W 4.6470 7.6974 125.3207 57.4324 29.1231 175.7268 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 5 N 8.41 4.74 0.00 2.87 3.02 0.00 0.00 5.99 6.86 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 6 P 0.00 4.64 0.00 2.33 2.30 0.00 3.71 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 2.01 2.03 0.00 7 L 8.59 3.96 0.00 1.76 1.83 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.54 3.90 0.00 2.16 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 2.41 2.37 0.00 9 A 8.10 4.22 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 10 Q 7.90 3.93 0.00 2.17 2.15 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 2.40 0.00 11 A 8.24 3.89 1.12 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 12 W 8.33 4.21 0.00 3.42 3.18 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 13 A 7.84 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.10 0.00 1.86 1.70 0.99 0.62 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 15 L 8.00 4.07 0.00 1.75 1.69 0.56 0.81 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 16 E 8.18 4.35 0.00 2.16 1.98 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 2.36 2.64 0.00 17 A 7.61 4.66 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 18 V 7.58 4.35 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 1.00 0.00 0.00 0.91 0.00 0.00 19 Y 8.72 4.97 0.00 2.81 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 20 D 8.73 4.66 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 2.22 2.18 0.00 3.79 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 1.98 1.99 0.00 22 E 8.57 4.15 0.00 2.15 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 2.35 2.27 0.00 23 L 8.05 4.47 0.00 1.61 1.74 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.55 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 0.00 0.00 0.00 25 L 7.55 5.03 0.00 1.65 1.47 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.78 4.33 0.00 2.44 1.82 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 27 V 8.24 3.50 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 0.67 0.00 0.00 0.91 0.00 0.00 28 V 7.83 3.71 2.34 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 0.96 0.00 0.00 1.21 0.00 0.00 29 N 8.72 4.46 0.00 2.83 2.80 0.00 0.00 6.79 7.60 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 7.61 4.03 0.00 1.79 1.65 0.99 1.26 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 31 G 8.02 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 7.86 3.98 0.00 1.62 1.57 0.59 -0.30 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 33 I 7.72 4.10 2.24 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 1.54 0.92 0.84 0.00 0.00 34 Y 8.73 4.91 0.00 2.98 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 35 D 7.84 4.84 0.00 2.93 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 36 L 8.53 4.93 0.00 1.20 1.26 0.66 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.56 4.51 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 0.90 0.00 0.00 1.03 0.00 0.00 38 V 8.71 4.52 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 0.80 0.00 0.00 0.87 0.00 0.00 39 E 9.43 4.55 0.00 1.99 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 2.28 0.00 40 P 0.00 4.45 0.00 2.03 2.14 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 2.03 2.12 0.00 41 P 0.00 5.70 0.00 2.10 2.24 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 2.04 1.79 0.00 42 R 8.19 5.32 0.00 1.89 2.03 0.00 2.71 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 43 A 9.04 5.10 1.16 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 44 Y 9.64 5.26 0.00 2.89 2.84 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 45 V 7.93 4.49 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 0.63 0.00 0.00 0.72 0.00 0.00 46 R 8.43 5.02 0.00 1.81 1.83 0.00 3.29 0.00 0.00 3.37 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 *48 T 8.08 3.98 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 0.95 0.00 0.00 49 L 7.82 4.63 0.00 1.91 1.51 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.98 3.64 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 0.22 0.00 0.00 51 T 7.42 4.82 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 52 P 0.00 3.94 0.00 2.01 1.98 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 53 G 7.40 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 54 C 8.34 4.57 0.00 3.05 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 55 P 0.00 4.54 0.00 2.37 2.19 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 56 L 8.39 3.87 0.00 1.50 1.65 0.87 0.98 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 57 H 7.39 4.81 0.00 3.15 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.31 4.64 0.00 2.78 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 8.04 4.11 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 60 L 7.87 3.98 0.00 1.69 1.57 0.85 0.88 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 61 G 8.28 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 0.00 0.00 0.00 0.00 62 E 8.27 3.91 0.00 2.17 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 2.28 2.34 0.00 63 A 8.15 3.98 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 64 V 7.85 3.44 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 0.84 0.00 0.00 0.90 0.00 0.00 65 R 7.99 3.82 0.00 1.96 2.01 0.00 3.12 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 1.59 1.63 0.00 66 Q 8.16 4.01 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 67 A 7.98 4.12 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 68 L 7.96 3.97 0.00 1.64 1.64 0.76 0.54 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 69 S 8.07 4.32 0.00 4.04 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 0.00 70 R 7.32 4.46 0.00 1.91 1.98 0.00 3.15 0.00 0.00 3.41 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 71 L 7.45 4.18 0.00 1.76 1.56 0.88 0.82 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 72 P 0.00 4.50 0.00 2.17 2.07 0.00 3.78 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 9.12 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 0.00 0.00 0.00 74 V 7.40 4.27 2.21 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 0.74 0.00 0.00 0.91 0.00 0.00 75 E 9.15 4.67 0.00 1.91 1.87 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 2.19 2.20 0.00 76 E 7.99 4.60 0.00 2.02 1.82 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 2.27 2.29 0.00 77 V 8.54 4.79 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 9.27 4.59 0.00 2.12 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 2.27 2.27 0.00 79 V 8.41 4.52 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 8.89 4.48 0.00 1.78 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 2.34 2.60 0.00 81 V 8.21 4.19 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 0.42 0.00 0.00 0.83 0.00 0.00 82 T 8.04 4.51 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 1.37 0.00 0.00 83 F 8.66 4.96 0.00 3.14 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 84 E 8.30 4.66 0.00 2.03 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 2.31 2.33 0.00 85 P 0.00 4.69 0.00 2.18 2.01 0.00 3.21 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 86 P 0.00 4.76 0.00 2.34 2.24 0.00 3.83 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 2.06 2.02 0.00 87 W 8.95 4.52 0.00 3.38 3.34 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 88 T 6.87 4.19 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 7.78 3.61 0.00 1.72 1.98 1.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.34 4.14 1.21 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 0.00 0.00 91 R 7.58 4.34 0.00 1.87 2.12 0.00 3.21 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 92 L 7.56 4.37 0.00 1.63 1.51 0.49 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.75 4.37 0.00 3.94 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 94 E 8.70 3.91 0.00 1.95 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 2.30 2.44 0.00 95 K 8.00 4.00 0.00 1.82 1.74 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 96 A 8.01 3.97 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 7.71 3.84 0.00 2.06 1.77 0.00 3.14 0.00 0.00 3.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 98 R 7.46 4.50 0.00 1.85 2.02 0.00 3.05 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 99 L 7.45 4.23 0.00 1.73 1.71 0.91 1.28 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 7.98 4.10 0.00 0.96 1.45 -0.49 0.77 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 0.00 101 G 8.44 3.61 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 0.00 0.00 0.00 102 W 7.70 4.65 0.00 3.47 3.10 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 * Residues marked with a * may have inaccurate shift predictions.