NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8149 8.3544 109.7465 45.5549 0.0000 172.0333 *2 T 4.0550 7.4543 116.9241 62.1611 69.3373 171.6112 3 E 5.0138 8.6559 128.4536 54.3754 31.9989 174.8289 4 V 4.3760 8.9186 126.5152 61.1513 34.5200 173.6451 5 N 5.3535 8.8646 125.3321 51.9269 39.9698 174.1497 6 L 4.7947 9.2292 124.6710 53.0362 44.7069 175.4674 7 N 5.3866 8.8287 120.5945 52.1661 39.9532 174.3693 8 I 4.5212 8.8217 126.0478 59.2236 39.6731 174.7418 9 Y 4.2599 8.7186 129.0457 57.5824 40.1489 174.1135 10 S 4.3527 8.0385 122.1251 55.7979 63.5013 172.8833 11 P 4.0239 0.0000 0.0000 65.2231 31.5605 178.2615 12 R 3.6185 7.5909 117.9359 58.5787 29.7974 177.2536 13 W 4.6017 7.6118 114.1904 55.6935 29.9633 176.2219 14 G 3.9596 8.8168 107.0007 45.9947 0.0000 173.3641 15 R 4.8102 7.0898 113.0427 55.1115 32.6767 173.4651 16 H 4.9372 9.1071 117.3039 56.0284 29.5489 174.8552 17 E 4.8409 9.5003 121.4012 54.8637 33.3255 175.1275 18 T 4.9474 8.4473 119.1674 62.9998 69.8290 173.7451 19 Y 4.5592 9.4657 125.6058 56.7663 40.1044 174.6995 20 I 4.8060 9.0055 125.9840 59.8179 39.4880 174.7196 21 V 4.7798 9.0090 128.3984 61.3599 33.2938 174.1217 22 E 4.8928 9.4141 128.6578 54.6914 31.0245 175.3520 23 L 4.3644 8.3573 125.7583 53.1674 43.4173 175.9994 24 H 5.1094 8.7651 120.0592 53.3036 32.6437 174.3770 25 K 4.0445 9.0260 122.1471 59.6235 32.2075 177.5612 26 D 4.9427 8.1606 117.6598 56.1768 42.4983 174.9729 27 Y 5.1981 7.2599 116.5703 57.3064 41.2745 172.7471 *29 E 4.5903 8.5074 117.0703 56.5166 31.6356 175.0092 30 I 5.1419 8.6125 122.9516 60.1148 41.3854 175.0562 31 S 4.9742 8.2050 120.6612 55.8920 67.3936 173.9300 *33 G 3.9679 8.6134 108.7414 46.3090 0.0000 175.0829 34 A 4.0972 8.5965 126.4879 52.6346 19.3769 177.2187 35 V 4.1288 7.5273 116.4896 61.4884 32.1225 174.0909 36 T 4.8147 8.4017 124.5210 61.8142 70.3109 174.2052 37 I 4.6267 8.6507 120.0011 59.4569 41.0515 174.3599 38 K 4.6919 8.9861 122.6052 54.9951 36.3331 174.2051 39 A 4.3305 7.7821 128.0257 49.8229 21.5423 174.8236 40 T 5.0402 8.7636 113.8914 59.9128 71.0812 173.7460 41 Y 4.8446 9.4941 128.2617 57.6921 39.0812 174.9299 42 S 4.6677 7.2722 117.4653 56.5443 66.1443 174.8907 43 E 4.1188 8.7686 121.2322 58.4135 29.7753 177.3292 44 N 4.6980 7.5216 115.1542 54.3040 40.4668 174.9306 45 Q 4.4355 7.3922 114.9075 54.1913 30.6507 174.8868 46 D 4.6183 8.2404 118.2741 53.2801 41.5893 174.7139 47 P 4.4795 0.0000 0.0000 63.6074 32.1686 175.1255 48 E 4.6105 9.1085 124.7609 54.8993 31.0901 174.7997 49 W 5.3639 8.8271 126.6302 54.6989 31.4432 176.0239 50 S 4.3320 8.9553 118.4738 58.4871 62.6886 174.2524 51 E 4.0534 8.8320 120.9994 58.8564 29.6776 176.8572 52 E 4.3844 8.0833 119.2359 55.6565 30.7509 175.4911 53 T 4.4857 8.6266 115.7882 59.2566 71.3760 175.1317 54 L 3.8594 8.1650 123.3935 58.3531 42.1939 178.0273 55 Q 4.0956 8.0865 116.0439 59.2604 28.8591 177.5648 56 D 4.5606 8.0320 116.5353 57.6422 40.8999 179.7639 57 I 3.9813 7.5311 110.5465 61.3554 37.2239 177.5464 *59 N 4.4833 8.2282 120.6330 54.2425 40.3133 176.6086 60 N 4.3757 7.8045 114.7384 55.7952 38.9734 175.4163 61 D 4.7127 8.1198 116.4650 53.3796 41.1286 176.4960 62 S 3.3262 7.5260 113.9635 59.2984 60.9525 172.0823 63 V 3.8832 7.2068 118.4029 61.2254 32.6293 174.8334 64 Y 4.5960 7.9358 124.6367 55.3945 38.5496 173.4218 65 P 4.3888 0.0000 0.0000 60.5541 33.0471 174.8967 66 P 4.1541 0.0000 0.0000 62.6769 31.5864 177.6516 67 E 3.9009 8.7250 119.8806 59.3108 29.8124 177.8220 68 I 4.0047 7.3548 117.0212 62.2316 38.7549 177.3866 69 T 4.0869 8.2307 117.5701 67.7161 68.2843 175.7475 70 Q 3.7905 8.0108 120.7288 59.2827 28.9679 177.7790 71 N 4.4998 8.2018 117.4423 56.6307 38.9735 176.7133 72 L 4.1556 8.0648 120.2646 57.8374 41.8038 179.2267 73 F 4.0977 8.6754 117.6348 60.7997 38.8610 177.4488 74 Q 4.5986 8.7741 119.0097 59.7606 28.8493 177.9236 75 H 4.2602 8.7867 118.9792 59.2476 29.8699 177.0254 76 A 4.0184 8.3416 122.6045 54.8748 18.2529 179.2032 77 W 4.3638 8.4948 126.7879 60.8694 30.8522 178.0131 78 L 3.4573 8.3558 119.0458 57.7590 41.0802 179.4789 79 E 3.8850 8.4376 118.6900 59.1332 29.3907 179.1868 80 W 4.2734 8.5127 128.6058 60.5928 30.5471 177.9611 81 R 3.4720 8.5426 118.1516 58.3213 29.4066 177.5101 82 K 4.3004 7.4900 116.4863 56.2592 33.0768 177.4340 83 G 3.6450 7.6199 106.2731 46.1854 0.0000 175.0467 84 A 4.1580 7.8802 122.3849 53.4504 18.7194 178.1566 85 L 4.9647 7.5018 114.7395 52.2777 45.4444 176.6370 86 D 4.8296 8.9676 122.9077 52.2137 42.6095 177.3008 87 N 4.4989 8.7479 115.8196 56.9057 38.4645 177.2837 88 D 4.4097 8.1365 119.6526 57.3519 40.8619 178.4994 89 E 4.0948 9.0964 119.7563 59.0815 29.5496 179.5662 90 V 3.6627 8.3299 119.7561 64.8656 31.4970 178.6164 91 T 3.7692 7.8548 116.4250 66.3891 68.4106 176.4357 92 R 4.0250 7.8777 120.3489 59.7029 29.7025 178.4585 93 E 3.9992 8.4071 118.5097 59.3654 29.4015 179.4219 94 L 3.8844 8.1281 119.2503 57.6346 41.5442 179.3318 95 E 4.0470 8.2170 118.5875 59.2131 29.4582 179.3224 96 L 4.0174 7.8179 119.0345 57.4069 41.5792 179.6609 97 V 3.8012 7.4286 117.2828 65.8798 31.4296 177.9640 98 A 4.0572 8.1022 120.6532 55.1170 18.1654 179.2634 99 Q 3.9503 8.4435 118.3705 59.0492 29.0756 178.3379 100 W 4.4204 8.1794 128.8612 60.7148 30.7960 177.8084 101 V 3.3475 8.0225 118.0601 66.3386 30.8095 177.7685 102 N 4.4381 8.4759 116.0587 56.2081 38.3284 177.6413 103 K 4.0057 8.3276 120.2097 59.2600 31.9145 179.4333 104 V 3.5403 7.8853 118.0924 66.3269 31.7887 177.9861 105 T 4.0219 7.8839 115.2705 66.7296 68.1360 176.2546 106 E 3.9432 8.2262 119.7332 58.8734 29.6093 177.6934 107 A 4.4580 7.6206 118.1660 50.9084 19.3280 177.3775 108 K 3.9651 7.2693 118.3641 56.3951 32.7021 175.2925 109 P 4.3211 0.0000 0.0000 63.5771 31.6120 175.8143 110 N 5.0517 8.7237 117.9170 52.2098 38.0228 175.1584 111 S 4.4916 8.1520 114.4228 58.3277 65.2771 174.2947 112 D 4.4225 8.7734 122.3629 57.7740 40.1137 179.0853 113 F 4.0075 8.1853 120.1488 61.3230 39.4023 177.0937 114 W 4.7808 8.1092 118.0773 59.6897 28.6827 178.9671 115 R 3.9847 8.2622 117.7574 59.1076 29.5560 178.7300 116 K 4.0731 8.0115 117.5434 59.5488 32.0730 178.3710 117 Y 4.3910 7.5051 117.8579 60.0930 38.9699 175.1175 118 F 4.3583 8.4538 118.3771 57.2835 37.9777 173.5592 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 G 8.35 3.81 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 0.00 *2 T 7.45 4.05 4.45 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 0.53 0.00 0.00 3 E 8.66 5.01 0.00 1.94 1.76 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 2.16 2.23 0.00 4 V 8.92 4.38 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 0.82 0.00 0.00 0.80 0.00 0.00 5 N 8.86 5.35 0.00 2.65 2.77 0.00 0.00 7.00 7.85 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 6 L 9.23 4.79 0.00 1.69 1.63 1.05 0.52 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 7 N 8.83 5.39 0.00 2.67 2.88 0.00 0.00 6.83 7.45 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 8 I 8.82 4.52 1.92 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 1.06 0.16 0.74 0.00 0.00 9 Y 8.72 4.26 0.00 2.85 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 10 S 8.04 4.35 0.00 3.90 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 11 P 0.00 4.02 0.00 1.94 2.06 0.00 3.78 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 2.08 2.11 0.00 12 R 7.59 3.62 0.00 1.41 1.58 0.00 2.67 0.00 0.00 2.78 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 13 W 7.61 4.60 0.00 3.37 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 14 G 8.82 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 15 R 7.09 4.81 0.00 1.95 2.09 0.00 3.06 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 16 H 9.11 4.94 0.00 3.13 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 9.50 4.84 0.00 1.98 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 2.41 2.64 0.00 18 T 8.45 4.95 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 1.25 0.00 0.00 19 Y 9.47 4.56 0.00 2.94 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 20 I 9.01 4.81 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 0.91 0.00 0.00 21 V 9.01 4.78 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 0.86 0.00 0.00 1.20 0.00 0.00 22 E 9.41 4.89 0.00 1.83 1.83 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 2.22 2.26 0.00 23 L 8.36 4.36 0.00 0.39 0.53 0.19 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.77 5.11 0.00 2.46 2.95 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.03 4.04 0.00 1.71 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.29 7.81 26 D 8.16 4.94 0.00 3.14 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 27 Y 7.26 5.20 0.00 3.12 2.93 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 *29 E 8.51 4.59 0.00 2.06 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 2.31 2.56 0.00 30 I 8.61 5.14 1.95 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 1.38 0.93 1.05 0.00 0.00 31 S 8.21 4.97 0.00 3.68 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 *33 G 8.61 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 34 A 8.60 4.10 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 35 V 7.53 4.13 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 1.01 0.00 0.00 0.91 0.00 0.00 36 T 8.40 4.81 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 1.21 0.00 0.00 37 I 8.65 4.63 2.18 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.97 0.00 0.00 38 K 8.99 4.69 0.00 1.75 1.54 0.00 1.19 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.31 7.81 39 A 7.78 4.33 -0.61 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 40 T 8.76 5.04 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 1.14 0.00 0.00 41 Y 9.49 4.84 0.00 3.25 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 42 S 7.27 4.67 0.00 3.92 3.81 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 43 E 8.77 4.12 0.00 2.02 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 0.00 2.56 2.38 0.00 44 N 7.52 4.70 0.00 2.85 2.80 0.00 0.00 6.93 7.57 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 45 Q 7.39 4.44 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 46 D 8.24 4.62 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.48 0.00 2.33 2.42 0.00 3.81 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 2.36 2.30 0.00 48 E 9.11 4.61 0.00 2.08 1.83 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 2.29 2.34 0.00 49 W 8.83 5.36 0.00 3.24 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 50 S 8.96 4.33 0.00 3.91 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 51 E 8.83 4.05 0.00 1.98 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 0.00 2.30 2.31 0.00 52 E 8.08 4.38 0.00 1.97 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 2.29 2.41 0.00 53 T 8.63 4.49 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 1.18 0.00 0.00 54 L 8.16 3.86 0.00 1.28 1.46 0.71 -0.01 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 55 Q 8.09 4.10 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 56 D 8.03 4.56 0.00 2.94 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 57 I 7.53 3.98 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.29 0.91 0.00 0.00 *59 N 8.23 4.48 0.00 3.02 3.03 0.00 0.00 7.02 6.92 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 60 N 7.80 4.38 0.00 2.93 2.96 0.00 0.00 6.98 8.04 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 61 D 8.12 4.71 0.00 2.74 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 62 S 7.53 3.33 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 3.88 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 0.65 0.00 0.00 0.81 0.00 0.00 64 Y 7.94 4.60 0.00 3.04 2.81 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 65 P 0.00 4.39 0.00 2.02 1.88 0.00 3.92 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 1.86 1.83 0.00 66 P 0.00 4.15 0.00 1.88 1.82 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.13 0.00 67 E 8.73 3.90 0.00 2.03 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 2.27 2.35 0.00 68 I 7.35 4.00 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 1.19 0.00 0.00 69 T 8.23 4.09 4.19 0.00 0.00 0.00 0.00 0.00 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 70 Q 8.01 3.79 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 71 N 8.20 4.50 0.00 2.86 2.99 0.00 0.00 7.20 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 72 L 8.06 4.16 0.00 2.21 1.85 1.23 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.68 4.10 0.00 3.49 3.39 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 74 Q 8.77 4.60 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.98 0.00 75 H 8.79 4.26 0.00 3.49 3.58 0.00 5.84 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 76 A 8.34 4.02 1.41 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 0.00 0.00 77 W 8.49 4.36 0.00 3.42 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 78 L 8.36 3.46 0.00 1.86 1.60 0.98 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.44 3.89 0.00 2.12 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 2.21 2.30 0.00 80 W 8.51 4.27 0.00 3.43 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 81 R 8.54 3.47 0.00 1.63 1.82 0.00 2.58 0.00 0.00 2.57 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.00 82 K 7.49 4.30 0.00 1.85 1.72 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.32 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.35 7.81 83 G 7.62 3.64 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 0.00 0.00 0.00 84 A 7.88 4.16 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 85 L 7.50 4.96 0.00 1.77 1.65 1.00 1.06 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 86 D 8.97 4.83 0.00 2.99 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 87 N 8.75 4.50 0.00 2.85 2.99 0.00 0.00 6.84 8.08 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 88 D 8.14 4.41 0.00 2.83 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 89 E 9.10 4.09 0.00 2.31 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 0.00 2.34 2.37 0.00 90 V 8.33 3.66 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 0.71 0.00 0.00 0.94 0.00 0.00 91 T 7.85 3.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 92 R 7.88 4.02 0.00 2.00 2.07 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 93 E 8.41 4.00 0.00 2.00 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 2.61 2.51 0.00 94 L 8.13 3.88 0.00 1.67 1.50 0.78 0.22 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 95 E 8.22 4.05 0.00 2.19 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 2.33 2.60 0.00 96 L 7.82 4.02 0.00 1.90 1.70 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.43 3.80 2.11 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 1.28 0.00 0.00 0.91 0.00 0.00 98 A 8.10 4.06 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 99 Q 8.44 3.95 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 100 W 8.18 4.42 0.00 3.56 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.02 3.35 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 0.85 0.00 0.00 0.96 0.00 0.00 102 N 8.48 4.44 0.00 3.01 2.91 0.00 0.00 7.08 8.17 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 0.00 103 K 8.33 4.01 0.00 2.11 1.95 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.64 7.81 104 V 7.89 3.54 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 0.77 0.00 0.00 0.48 0.00 0.00 105 T 7.88 4.02 4.45 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 1.34 0.00 0.00 106 E 8.23 3.94 0.00 1.96 2.19 0.00 0.00 0.00 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 2.29 0.00 107 A 7.62 4.46 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 0.00 108 K 7.27 3.97 0.00 1.69 1.58 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.54 1.63 7.81 109 P 0.00 4.32 0.00 2.02 1.95 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 110 N 8.72 5.05 0.00 2.82 2.88 0.00 0.00 6.16 7.64 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 0.00 111 S 8.15 4.49 0.00 4.18 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 0.00 112 D 8.77 4.42 0.00 2.76 2.83 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 0.00 113 F 8.19 4.01 0.00 2.88 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 0.00 114 W 8.11 4.78 0.00 3.56 3.44 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 0.00 115 R 8.26 3.98 0.00 1.90 2.01 0.00 3.26 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 116 K 8.01 4.07 0.00 1.83 1.84 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 117 Y 7.51 4.39 0.00 2.70 3.43 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 0.00 118 F 8.45 4.36 0.00 3.01 2.51 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 * Residues marked with a * may have inaccurate shift predictions.