NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6412 8.4201 118.1195 52.5073 40.2906 173.6269 7 A 3.9471 8.2096 122.5708 51.3093 18.9939 176.7588 8 P 4.2143 0.0000 0.0000 65.5633 32.1277 176.8364 9 Y 4.1868 8.4603 119.0867 60.8497 38.4162 178.0938 10 E 3.7343 8.1118 118.2115 58.7898 29.6076 178.4009 11 A 4.1709 7.6184 118.8941 53.0480 18.5367 177.0749 12 I 3.9991 7.1324 114.9961 61.8229 40.1562 176.7289 13 G 3.7402 7.5635 104.8001 45.2798 0.0000 173.9403 14 E 4.0758 8.6041 119.0258 59.3090 29.5792 178.9447 15 E 3.9503 8.0488 117.9161 59.5363 29.6711 179.0026 16 L 3.9946 7.8319 119.8311 57.8041 42.1689 178.6052 17 L 3.9675 8.2673 120.7712 58.2738 42.2689 178.6862 18 S 4.1718 8.2831 113.1809 61.6778 62.2107 176.0582 19 Q 4.0094 8.0904 122.1258 58.8370 28.8447 177.5415 20 L 3.9526 8.2524 121.8496 58.4095 42.2177 179.1969 21 V 3.8073 7.9054 117.7822 65.5929 31.5050 177.8650 22 D 4.4917 8.1504 118.5707 57.5019 40.9014 178.5409 23 T 4.0135 8.0228 116.2866 66.7053 68.4019 176.0961 24 F 3.9787 8.0764 122.2294 61.6949 39.3931 176.7241 25 Y 3.6093 7.6741 114.9396 59.9850 37.4166 177.8916 26 E 3.9374 7.8511 119.5903 59.2603 29.6218 179.1407 27 R 3.9196 7.6164 117.7163 59.0975 30.1611 178.9315 28 V 3.2195 7.3036 118.1301 66.0979 31.0731 177.9885 29 A 4.0010 7.4414 118.3992 54.5903 18.2828 178.9552 30 S 4.5460 7.3809 111.7470 58.6496 63.4573 173.7689 31 H 4.4508 7.7337 123.3444 54.0451 29.2811 173.6900 32 P 4.2418 0.0000 0.0000 65.6411 31.1044 177.4781 33 L 4.2015 8.1078 119.6609 57.0433 42.7245 177.2408 34 L 4.5297 8.0571 117.7279 56.4138 42.7513 178.1669 35 K 3.8826 8.5256 120.2912 59.2172 32.1696 176.5767 36 P 4.3827 0.0000 0.0000 65.2911 31.2622 177.2584 37 I 4.0735 7.6418 109.2677 61.5441 38.2076 175.9800 38 F 4.2500 7.5044 118.7168 55.4761 39.8843 173.6010 39 P 4.4357 0.0000 0.0000 63.1185 31.7674 177.2147 40 S 4.1636 8.7626 117.4843 61.4208 62.9628 174.4107 41 D 4.5986 7.9196 119.9074 53.2750 41.3652 175.4106 42 L 4.4078 8.2829 125.6338 55.0402 41.9092 178.3378 43 T 3.8206 8.1456 118.4295 67.0367 68.3502 176.1735 44 E 4.0059 8.0126 119.5624 59.4266 29.5981 178.9881 45 T 3.7946 7.8291 115.1037 66.8301 68.5309 176.0894 46 A 3.9091 7.4587 122.2629 55.1742 18.2218 179.6774 47 R 3.9103 7.6027 116.4075 59.6165 30.1053 178.9668 48 K 4.9256 8.2313 119.6079 58.8249 31.9869 179.1560 49 Q 4.1885 8.6321 120.2458 58.6859 28.9036 178.4126 50 K 4.1583 8.1136 119.4560 59.5307 32.3429 178.9256 51 Q 4.0823 7.9620 118.0618 59.2520 28.7703 179.3015 52 F 4.0962 8.6647 121.4054 61.4459 39.4396 177.2484 53 L 4.0738 8.8933 119.1958 57.6811 41.3130 179.6318 54 T 3.7131 8.1060 116.1940 66.7045 68.4019 176.2300 55 Q 3.9514 7.7793 121.1337 59.4127 28.6016 177.7317 56 Y 4.0928 7.8534 120.1463 59.5478 38.5577 176.5814 57 L 4.8381 7.7744 118.9044 54.1854 41.9989 177.8923 58 G 3.9540 8.0479 106.4037 45.7123 0.0000 175.4966 59 G 3.6719 7.6120 109.1266 43.7526 0.0000 171.9375 60 P 4.2962 0.0000 0.0000 62.3429 32.3731 175.8787 61 P 4.6979 0.0000 0.0000 62.2986 27.9703 176.9776 62 L 4.1455 7.6458 123.6339 58.5841 42.1748 178.4804 63 Y 4.0912 8.0767 118.9958 61.0194 39.0082 177.4250 64 T 4.1908 8.6539 117.9375 66.7195 68.4690 176.5347 65 E 3.8470 7.4983 118.5081 58.8098 29.5180 178.3738 66 E 4.2988 7.3348 116.4236 57.1084 31.1828 176.1359 67 H 4.4706 8.2957 113.8330 54.9205 30.6905 174.2070 68 G 3.8359 7.9983 104.9666 43.9690 0.0000 171.9483 69 H 4.3185 8.7133 117.8138 56.2818 29.9720 173.1639 70 P 4.4965 0.0000 0.0000 65.3831 32.4439 176.9775 71 M 3.2815 7.8487 113.4484 56.0094 29.9973 177.1166 72 L 3.9376 7.4431 126.1502 58.3765 42.1467 178.9235 73 R 3.7647 7.8757 117.2079 59.3484 30.2053 177.9815 74 A 4.1277 7.8724 120.0882 55.2040 18.3207 179.5920 75 R 4.0665 7.7325 114.6072 58.7161 30.4822 177.9064 76 H 4.8708 8.0779 114.5668 56.5642 29.1765 177.0202 77 L 4.0094 7.4841 120.3267 57.2389 41.4766 176.7084 78 P 4.0845 0.0000 0.0000 64.3882 31.4373 176.1637 79 F 4.9139 7.6011 116.1850 55.1685 41.1200 174.6471 80 P 4.5016 0.0000 0.0000 61.6960 29.9551 175.5622 81 I 3.9892 8.1226 123.2238 61.5633 36.7346 176.3347 82 T 4.5979 8.0497 116.7023 60.5015 71.7230 175.0744 83 N 4.2900 8.6232 118.8977 56.4971 38.5054 177.3021 84 E 4.1486 8.1169 118.1950 58.9511 30.0050 179.1020 85 R 4.0413 7.8888 118.7184 58.9283 30.3698 178.5559 86 A 4.0521 8.3506 120.8709 55.1315 18.2876 179.5102 87 D 4.3748 8.1533 116.9399 57.3473 41.0296 178.6149 88 A 4.0270 8.0796 121.3665 54.9013 18.3226 179.3696 89 W 4.0941 8.3820 126.7306 60.6979 30.8417 178.0729 90 L 4.4482 8.3432 118.4869 58.2339 41.1830 179.5931 91 S 4.2569 8.7443 115.3136 62.0920 62.8306 176.6733 92 C 4.1205 8.6935 119.5581 63.0401 27.8171 175.9467 93 M 3.9973 8.2667 119.8938 58.1932 31.7952 178.1460 94 K 3.6096 8.6977 120.3780 59.4904 32.3938 178.2090 95 D 4.2817 8.1962 118.0279 57.3887 40.9876 178.1425 96 A 4.0516 8.0232 121.2131 55.1990 18.3256 179.6660 97 M 3.9758 7.9851 117.3542 58.5901 32.1917 178.3349 98 D 4.3423 8.0510 119.0879 57.9293 40.8155 178.6863 99 H 4.1995 7.9435 117.0001 59.1149 30.0209 176.9860 100 V 3.9554 7.5207 111.2574 60.9737 31.7044 176.7918 101 G 3.8128 7.6534 106.5417 45.7733 0.0000 173.6102 102 L 3.9518 7.5134 121.5367 55.1007 42.2883 176.0508 103 E 4.5638 8.4809 122.1312 56.1882 33.0581 175.5062 104 G 3.8533 8.4981 105.5463 45.7939 0.0000 174.0385 105 E 4.5066 8.5605 118.1100 58.6609 29.5896 178.7438 106 I 3.8397 7.7399 118.5742 63.8243 38.0884 177.8031 107 R 3.9626 7.9786 119.3601 59.4968 29.9291 178.1469 108 E 4.1100 8.4566 118.4819 59.1948 29.4713 179.2180 109 F 4.2284 8.3423 120.6785 60.9566 39.5920 177.0950 110 L 3.8604 8.0389 119.9246 58.3794 41.8882 178.8165 111 F 4.2271 8.4626 120.6504 61.1967 38.8130 177.3382 112 G 3.5255 8.1127 105.0618 47.6938 0.0000 175.7329 113 R 3.7899 7.6959 120.8238 59.0275 29.9198 178.6379 114 L 4.1107 7.8769 120.3802 57.0482 41.4581 179.1584 115 E 3.7117 7.9611 118.7533 59.4991 29.2799 179.5461 116 L 3.9535 7.4753 117.8633 57.8055 41.3735 179.6929 117 T 3.9220 7.5128 115.0295 66.3129 68.8980 176.6071 118 A 3.7324 8.0302 123.3420 54.7517 18.1329 179.8993 119 R 3.8414 7.6355 115.0182 59.6059 29.3728 178.4783 120 H 4.2706 7.6863 117.6722 58.6271 29.8541 176.6926 121 M 4.1177 7.4613 119.5059 56.6022 31.9303 176.8513 122 V 3.6717 6.7473 118.4244 63.5537 32.0456 174.5493 123 N 4.7956 8.4133 127.5940 52.2302 39.8076 175.0751 *124 Q 4.1254 8.6656 115.9204 55.8783 28.9061 170.7650 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 6 N 8.42 4.64 0.00 2.71 3.01 0.00 0.00 6.90 6.46 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 7 A 8.21 3.95 1.40 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 0.00 0.00 8 P 0.00 4.21 0.00 2.18 1.77 0.00 3.80 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 1.82 1.75 0.00 9 Y 8.46 4.19 0.00 3.09 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 10 E 8.11 3.73 0.00 2.15 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 2.38 2.45 0.00 11 A 7.62 4.17 1.28 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 0.00 0.00 0.00 12 I 7.13 4.00 1.87 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 1.33 0.97 0.96 0.00 0.00 13 G 7.56 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 14 E 8.60 4.08 0.00 2.23 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 2.44 2.50 0.00 15 E 8.05 3.95 0.00 2.10 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 2.41 2.44 0.00 16 L 7.83 3.99 0.00 1.74 1.85 0.91 0.49 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 17 L 8.27 3.97 0.00 1.96 1.81 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.28 4.17 0.00 4.00 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 0.00 19 Q 8.09 4.01 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 20 L 8.25 3.95 0.00 1.88 1.90 0.92 1.00 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 21 V 7.91 3.81 2.22 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 1.35 0.00 0.00 1.06 0.00 0.00 22 D 8.15 4.49 0.00 2.83 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 23 T 8.02 4.01 4.43 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 1.21 0.00 0.00 24 F 8.08 3.98 0.00 2.77 2.91 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 25 Y 7.67 3.61 0.00 3.13 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 26 E 7.85 3.94 0.00 2.03 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 2.57 0.00 27 R 7.62 3.92 0.00 1.74 1.80 0.00 3.23 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 28 V 7.30 3.22 1.42 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 0.24 0.00 0.00 -0.44 0.00 0.00 29 A 7.44 4.00 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 30 S 7.38 4.55 0.00 3.77 3.87 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 0.00 0.00 0.00 31 H 7.73 4.45 0.00 3.27 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.24 0.00 2.21 2.17 0.00 3.56 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 1.90 1.90 0.00 33 L 8.11 4.20 0.00 1.72 1.88 0.97 1.01 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 34 L 8.06 4.53 0.00 1.80 1.98 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.53 3.88 0.00 2.00 1.87 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 36 P 0.00 4.38 0.00 2.12 2.14 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 37 I 7.64 4.07 1.78 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 1.41 0.21 0.94 0.00 0.00 38 F 7.50 4.25 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.23 2.03 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 40 S 8.76 4.16 0.00 3.87 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 41 D 7.92 4.60 0.00 2.63 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 42 L 8.28 4.41 0.00 1.62 1.31 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.15 3.82 4.26 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 1.20 0.00 0.00 44 E 8.01 4.01 0.00 1.96 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 2.39 2.34 0.00 45 T 7.83 3.79 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 1.17 0.00 0.00 46 A 7.46 3.91 1.25 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 0.00 0.00 47 R 7.60 3.91 0.00 2.09 2.12 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 48 K 8.23 4.93 0.00 2.06 2.01 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.53 7.81 49 Q 8.63 4.19 0.00 2.55 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 50 K 8.11 4.16 0.00 2.12 1.94 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.75 7.81 51 Q 7.96 4.08 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 52 F 8.66 4.10 0.00 2.93 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 53 L 8.89 4.07 0.00 1.86 1.85 0.99 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.11 3.71 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 0.54 0.00 0.00 55 Q 7.78 3.95 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 56 Y 7.85 4.09 0.00 2.32 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 57 L 7.77 4.84 0.00 2.01 1.97 1.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.05 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 59 G 7.61 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 60 P 0.00 4.30 0.00 2.12 2.02 0.00 3.27 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 61 P 0.00 4.70 0.00 2.31 2.26 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 62 L 7.65 4.15 0.00 1.73 1.82 0.86 0.76 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 63 Y 8.08 4.09 0.00 3.37 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 T 8.65 4.19 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 1.28 0.00 0.00 65 E 7.50 3.85 0.00 2.30 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 2.34 2.36 0.00 66 E 7.33 4.30 0.00 1.96 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 1.91 2.14 0.00 67 H 8.30 4.47 0.00 2.31 3.06 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.00 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 69 H 8.71 4.32 0.00 3.19 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.50 0.00 2.30 2.23 0.00 3.50 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 2.11 2.29 0.00 71 M 7.85 3.28 0.00 2.45 2.56 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.97 0.00 72 L 7.44 3.94 0.00 1.51 1.40 0.17 0.20 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 73 R 7.88 3.76 0.00 1.56 1.87 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 74 A 7.87 4.13 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 75 R 7.73 4.07 0.00 2.01 2.10 0.00 3.42 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.00 0.00 76 H 8.08 4.87 0.00 3.30 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.48 4.01 0.00 1.75 1.68 0.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.08 0.00 0.80 1.62 0.00 3.60 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 1.71 1.89 0.00 79 F 7.60 4.91 0.00 3.09 2.78 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 80 P 0.00 4.50 0.00 2.20 2.11 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 81 I 8.12 3.99 1.87 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 1.33 0.54 0.90 0.00 0.00 82 T 8.05 4.60 4.26 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 1.23 0.00 0.00 83 N 8.62 4.29 0.00 2.76 2.93 0.00 0.00 6.57 7.66 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 84 E 8.12 4.15 0.00 2.22 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 0.00 2.39 2.43 0.00 85 R 7.89 4.04 0.00 2.17 2.07 0.00 3.31 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 86 A 8.35 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 87 D 8.15 4.37 0.00 3.04 2.78 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 88 A 8.08 4.03 1.25 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 0.00 0.00 89 W 8.38 4.09 0.00 3.67 3.41 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 90 L 8.34 4.45 0.00 2.29 1.94 1.08 0.72 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 91 S 8.74 4.26 0.00 4.06 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 92 C 8.69 4.12 0.00 2.97 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 93 M 8.27 4.00 0.00 2.37 1.20 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 94 K 8.70 3.61 0.00 1.69 1.95 0.00 1.49 0.00 0.00 1.02 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.23 7.81 95 D 8.20 4.28 0.00 2.75 2.80 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 96 A 8.02 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.99 3.98 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 98 D 8.05 4.34 0.00 2.89 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 99 H 7.94 4.20 0.00 3.24 3.50 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.52 3.96 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 0.85 0.00 0.00 1.04 0.00 0.00 101 G 7.65 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 0.00 102 L 7.51 3.95 0.00 1.76 1.59 0.96 0.88 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 0.00 103 E 8.48 4.56 0.00 2.05 1.86 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 2.17 2.30 0.00 104 G 8.50 3.85 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 0.00 0.00 0.00 105 E 8.56 4.51 0.00 2.03 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 2.52 2.23 0.00 106 I 7.74 3.84 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.96 0.00 0.00 107 R 7.98 3.96 0.00 1.93 2.10 0.00 3.27 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 108 E 8.46 4.11 0.00 2.31 2.08 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 2.39 2.47 0.00 109 F 8.34 4.23 0.00 3.19 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 0.00 110 L 8.04 3.86 0.00 2.07 1.88 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.46 4.23 0.00 3.24 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 0.00 112 G 8.11 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.79 0.00 1.45 1.76 0.00 2.51 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.36 0.00 114 L 7.88 4.11 0.00 1.94 1.60 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.96 3.71 0.00 1.98 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 1.89 1.75 0.00 116 L 7.48 3.95 0.00 1.85 1.65 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.51 3.92 4.25 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 1.07 0.00 0.00 118 A 8.03 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.64 3.84 0.00 1.96 2.14 0.00 2.73 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 120 H 7.69 4.27 0.00 3.09 3.48 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 M 7.46 4.12 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.54 0.00 122 V 6.75 3.67 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 0.86 0.00 0.00 0.98 0.00 0.00 123 N 8.41 4.80 0.00 2.79 2.74 0.00 0.00 6.90 7.43 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 *124 Q 8.67 4.13 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.