NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.9144 8.2133 109.7364 45.1715 0.0000 173.2864 2 D 5.0073 8.2760 121.3522 52.8704 42.3669 173.6178 3 T 4.7475 8.4843 117.0792 61.5511 72.0400 171.4384 4 S 4.7502 8.4342 114.7064 55.4552 66.5714 173.3450 5 P 4.3458 0.0000 0.0000 66.0886 31.0755 178.7738 6 A 4.0415 8.0497 118.7045 55.2513 18.2682 179.6116 7 Q 3.9249 7.7479 115.8308 58.9416 28.8342 178.6830 8 L 3.8023 8.0079 119.9993 57.8071 41.6120 179.6410 9 I 3.8098 7.9297 119.3901 64.4204 37.0788 178.2361 10 A 4.4157 7.4550 122.9950 54.5706 18.2841 179.9605 11 G 3.3982 8.0161 104.0847 48.1648 0.0000 175.6317 12 Y 4.3640 7.7736 119.3740 60.7773 37.6820 178.3431 13 E 4.0904 8.7245 119.7699 59.3932 29.3494 179.2267 14 A 4.0035 7.8634 119.4967 55.2487 18.5323 179.3026 15 A 4.0982 7.8350 117.6374 55.0527 18.5608 179.3684 16 A 4.1967 8.3171 118.7857 52.9122 18.5405 178.6139 17 G 3.8313 9.3780 104.4166 45.6305 0.0000 173.0584 18 A 4.5645 7.4362 118.8460 49.9699 21.8036 175.4886 19 P 4.5314 0.0000 0.0000 62.2522 32.0844 176.6572 20 A 4.2366 9.2140 124.4664 52.1840 19.0340 177.8903 21 D 4.7599 9.4649 120.1427 52.0070 43.1455 176.7338 22 A 4.3356 8.5439 130.1477 55.1311 18.5135 178.7511 23 E 3.9344 8.3538 117.4024 59.6563 29.5186 179.7242 24 R 4.0513 8.2247 117.8010 58.8116 30.1014 179.2170 25 G 3.5637 8.0044 105.9060 47.6438 0.0000 175.6629 26 R 2.5100 7.9872 121.5310 58.6271 29.6454 178.4920 27 A 3.8640 7.4990 119.1505 54.8797 18.7410 179.1125 28 L 3.9905 7.9070 118.9899 58.0703 41.0492 178.7909 29 F 4.0194 8.2741 120.8070 61.3367 39.1734 176.6427 30 L 4.0319 7.7875 115.6752 54.9550 41.9175 177.5695 31 S 4.2639 6.9909 113.4741 58.3779 63.6413 173.5660 32 T 4.5870 8.1975 118.3031 62.1624 69.6072 174.3683 33 Q 4.7205 9.0427 126.0399 54.3976 31.1310 175.7135 34 T 4.4296 8.3535 109.0855 61.6843 70.1917 175.2434 35 G 3.9131 8.0556 110.7661 46.2293 0.0000 173.6331 36 G 4.3729 7.3849 108.5226 45.0921 0.0000 174.5463 37 K 4.1696 9.1434 124.8164 55.4021 32.5306 176.4250 38 P 4.2683 0.0000 0.0000 65.6036 31.4192 176.7907 39 D 4.7417 8.0069 116.0565 53.5192 39.8897 176.9042 40 T 4.5879 7.6098 110.6600 59.6898 68.4617 172.4869 41 P 4.4419 0.0000 0.0000 64.8592 32.6605 176.6011 42 S 4.7745 7.4216 111.6909 56.2007 65.8782 174.6601 43 C 4.0697 7.8076 122.2785 62.5811 27.5628 176.3511 44 T 4.2199 7.5171 110.8194 64.0605 68.1160 176.5015 45 T 3.8341 7.3953 118.8149 66.8282 68.7274 174.9991 46 C 4.8469 7.8436 117.8576 60.2165 29.1759 174.9071 47 H 4.6984 8.0812 115.2750 54.5392 29.0853 176.2636 48 G 4.0612 7.8546 106.2987 45.2030 0.0000 173.3394 49 A 4.3766 8.4549 120.5683 53.4619 19.4455 176.9638 50 D 4.7346 7.9603 115.7485 53.0853 40.9252 176.5761 51 V 3.9894 8.1848 119.5314 62.1680 31.6359 177.8504 52 T 4.2097 8.1556 109.9257 62.0748 69.2369 174.7550 53 R 4.5965 7.4288 120.7484 53.9699 32.6980 175.5881 54 A 4.2109 8.3875 121.4272 52.5802 19.2170 177.9237 55 G 4.3541 8.3877 108.3706 45.5567 0.0000 172.7447 56 Q 5.0810 8.5980 116.4115 55.3025 32.4359 175.1444 57 T 4.5260 8.8009 115.1420 61.3744 70.3020 176.2316 58 R 3.9682 8.4507 119.0196 58.8404 29.4037 173.9247 59 T 4.2997 7.9389 104.1560 62.0600 69.2260 175.5183 60 G 3.9041 8.3966 113.5165 45.8886 0.0000 174.8164 61 K 4.1313 7.8630 121.0073 53.4597 32.4237 180.1975 62 E 4.0390 8.2955 120.9384 56.0900 28.9975 176.6426 63 I 4.5097 8.1081 127.1479 58.9345 40.1085 175.3878 64 A 4.3387 8.6741 129.0057 51.1936 19.0638 175.1234 65 P 4.3935 0.0000 0.0000 63.2655 31.4519 177.0094 66 L 3.9761 8.5891 122.0934 56.8774 42.3265 177.7455 67 A 4.0088 7.8364 122.9609 51.2070 18.3541 176.8093 68 P 4.3384 0.0000 0.0000 65.2117 31.1531 179.1849 69 S 4.1126 8.0027 111.9613 60.7060 62.9607 175.3764 70 A 4.6102 7.7608 122.5417 52.3850 20.3413 176.6829 71 T 4.3679 7.8352 113.7196 60.7915 69.6604 172.7220 72 P 4.4067 0.0000 0.0000 64.1552 31.6540 177.1986 73 D 4.7169 7.7808 115.9583 52.8623 39.5967 176.7239 74 R 3.5951 7.4432 118.8556 57.6900 30.3431 176.1923 75 F 4.1483 8.3128 117.5446 59.5738 36.5475 175.9809 76 T 4.6991 7.8954 106.6616 60.3505 69.8521 172.6084 77 D 5.7001 8.0983 123.0450 50.9080 43.9606 175.5508 78 S 4.1875 8.7694 123.1430 61.5143 63.0033 176.1871 79 A 3.9896 8.0831 123.9217 54.7574 18.2322 179.2483 80 R 3.9722 8.5082 117.2842 59.7353 30.1895 178.7845 81 V 3.8214 7.9677 117.8795 66.3523 31.5234 177.8820 82 E 4.0844 8.3439 118.2231 59.0293 29.2945 179.1801 83 K 3.7993 8.3894 120.0141 59.3023 32.2393 178.9016 84 W 4.0632 8.1433 118.9271 59.9719 29.0644 178.6634 85 L 4.2779 8.4454 119.0418 57.6673 40.0324 179.8535 86 G 3.6354 8.4749 106.2842 47.7955 0.0000 176.0503 87 R 3.8422 7.8554 120.3356 59.1405 30.2154 178.6213 88 N 4.6799 8.6963 115.3770 55.0352 38.7428 176.9988 89 C 4.3162 8.4153 118.9452 59.9546 41.1084 175.6061 90 N 4.4674 7.6564 118.4595 56.4905 38.0812 177.4462 91 S 4.0972 8.0096 114.2077 61.0207 62.2125 176.2472 92 V 3.9542 7.7474 121.4228 65.0022 31.6740 177.0910 93 I 3.9208 8.0159 117.7808 61.8253 37.5316 177.2270 94 G 3.9462 9.9623 107.2010 45.8712 0.0000 172.5606 95 R 4.4623 7.0453 113.4653 54.9276 31.6867 174.1197 96 D 4.5152 8.4318 118.3342 54.3785 41.3560 177.4898 97 C 4.6185 8.4188 119.7698 56.9022 42.1915 174.4904 98 T 4.2914 9.0608 114.4372 60.5587 70.6694 174.2049 99 P 4.2640 0.0000 0.0000 65.6524 31.2258 179.1886 100 G 3.6143 8.0400 103.9947 47.8861 0.0000 175.3995 101 E 3.9491 8.2262 121.1120 59.0757 29.4474 179.6652 102 K 3.7654 8.0797 118.3831 59.0353 31.9223 179.2716 103 A 4.0501 8.0369 121.1525 55.3288 18.4812 179.3695 104 D 4.3303 8.3034 117.5871 57.5048 40.8505 179.1024 105 L 4.0847 8.2505 119.7178 58.0376 41.7231 179.7486 106 L 3.6425 8.0569 118.6101 57.2848 41.2185 179.4048 107 A 3.9811 7.9025 120.2949 54.8182 18.5721 179.2545 108 W 4.2296 8.1155 126.4970 60.7358 30.8728 178.1273 109 L 3.3485 8.1467 118.8241 57.6133 40.8861 179.2630 110 A 4.3309 8.4008 118.7687 53.8249 18.4542 178.3257 111 A 4.3176 7.3374 117.3316 52.2620 19.3661 177.2149 112 Q 3.9188 7.4526 121.8825 55.8409 28.8616 175.6863 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 G 8.21 3.91 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 0.00 0.00 0.00 2 D 8.28 5.01 0.00 2.66 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 3 T 8.48 4.75 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 1.29 0.00 0.00 4 S 8.43 4.75 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.35 0.00 2.26 2.35 0.00 3.65 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 2.21 2.52 0.00 6 A 8.05 4.04 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 7 Q 7.75 3.92 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 8 L 8.01 3.80 0.00 2.06 1.77 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.93 3.81 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 0.95 0.00 0.00 10 A 7.45 4.42 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 11 G 8.02 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 0.00 0.00 0.00 12 Y 7.77 4.36 0.00 3.21 3.13 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 0.00 0.00 0.00 13 E 8.72 4.09 0.00 2.19 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 2.53 2.61 0.00 14 A 7.86 4.00 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 15 A 7.84 4.10 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 16 A 8.32 4.20 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 17 G 9.38 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 18 A 7.44 4.56 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 19 P 0.00 4.53 0.00 2.07 2.01 0.00 3.69 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 2.04 2.09 0.00 20 A 9.21 4.24 1.32 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 0.00 0.00 0.00 21 D 9.46 4.76 0.00 2.63 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 22 A 8.54 4.34 1.48 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 0.00 0.00 23 E 8.35 3.93 0.00 2.15 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 2.35 2.50 0.00 24 R 8.22 4.05 0.00 2.07 1.94 0.00 3.11 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 25 G 8.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 2.51 0.00 0.67 1.55 0.00 3.00 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 27 A 7.50 3.86 1.26 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 0.00 0.00 0.00 28 L 7.91 3.99 0.00 1.75 1.81 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.27 4.02 0.00 3.25 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 30 L 7.79 4.03 0.00 1.60 1.69 0.83 0.91 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 S 6.99 4.26 0.00 3.97 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 32 T 8.20 4.59 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 1.19 0.00 0.00 33 Q 9.04 4.72 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 34 T 8.35 4.43 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 1.20 0.00 0.00 35 G 8.06 3.91 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 0.00 0.00 0.00 36 G 7.38 4.37 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 0.00 37 K 9.14 4.17 0.00 1.91 1.94 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.25 7.81 38 P 0.00 4.27 0.00 2.17 2.18 0.00 3.75 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 1.98 1.95 0.00 39 D 8.01 4.74 0.00 2.80 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 40 T 7.61 4.59 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 1.21 0.00 0.00 41 P 0.00 4.44 0.00 2.21 2.31 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 2.04 1.93 0.00 42 S 7.42 4.77 0.00 3.87 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 43 C 7.81 4.07 0.00 1.99 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 0.00 0.00 0.00 44 T 7.52 4.22 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 1.20 0.00 0.00 45 T 7.40 3.83 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 1.19 0.00 0.00 46 C 7.84 4.85 0.00 2.76 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 47 H 8.08 4.70 0.00 3.59 3.63 0.00 5.70 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 48 G 7.85 4.06 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 0.00 49 A 8.45 4.38 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 50 D 7.96 4.73 0.00 2.77 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 51 V 8.18 3.99 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 0.72 0.00 0.00 0.47 0.00 0.00 52 T 8.16 4.21 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 1.12 0.00 0.00 53 R 7.43 4.60 0.00 1.96 1.87 0.00 3.37 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 54 A 8.39 4.21 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 55 G 8.39 4.35 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 0.00 56 Q 8.60 5.08 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 57 T 8.80 4.53 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 1.25 0.00 0.00 58 R 8.45 3.97 0.00 1.85 1.89 0.00 3.25 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 59 T 7.94 4.30 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 1.22 0.00 0.00 60 G 8.40 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.86 4.13 0.00 1.70 1.69 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.24 7.81 62 E 8.30 4.04 0.00 1.89 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 2.28 2.42 0.00 63 I 8.11 4.51 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.82 0.00 0.00 64 A 8.67 4.34 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 65 P 0.00 4.39 0.00 1.87 1.97 0.00 3.62 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 1.99 2.10 0.00 66 L 8.59 3.98 0.00 1.57 1.74 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.84 4.01 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 68 P 0.00 4.34 0.00 2.10 1.99 0.00 3.54 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 69 S 8.00 4.11 0.00 3.96 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 70 A 7.76 4.61 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 71 T 7.84 4.37 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 72 P 0.00 4.41 0.00 1.99 2.07 0.00 3.65 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 73 D 7.78 4.72 0.00 2.73 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 74 R 7.44 3.60 0.00 1.11 0.66 0.00 3.02 0.00 0.00 2.79 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 75 F 8.31 4.15 0.00 3.18 3.09 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 76 T 7.90 4.70 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 1.29 0.00 0.00 77 D 8.10 5.70 0.00 2.72 2.61 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 78 S 8.77 4.19 0.00 4.10 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 79 A 8.08 3.99 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 80 R 8.51 3.97 0.00 2.10 2.29 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 81 V 7.97 3.82 2.39 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 1.14 0.00 0.00 1.19 0.00 0.00 82 E 8.34 4.08 0.00 2.12 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 2.58 2.56 0.00 83 K 8.39 3.80 0.00 1.84 1.89 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.87 1.23 7.81 84 W 8.14 4.06 0.00 3.69 3.32 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 0.00 85 L 8.45 4.28 0.00 1.81 1.75 0.88 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 86 G 8.47 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 87 R 7.86 3.84 0.00 2.06 1.98 0.00 2.40 0.00 0.00 2.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 88 N 8.70 4.68 0.00 2.86 2.94 0.00 0.00 7.13 7.23 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 89 C 8.42 4.32 0.00 3.06 3.29 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 90 N 7.66 4.47 0.00 3.28 2.86 0.00 0.00 6.68 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 91 S 8.01 4.10 0.00 3.95 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 V 7.75 3.95 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 1.10 0.00 0.00 0.92 0.00 0.00 93 I 8.02 3.92 1.97 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 1.21 0.66 0.95 0.00 0.00 94 G 9.96 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 95 R 7.05 4.46 0.00 1.87 1.87 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 96 D 8.43 4.52 0.00 2.69 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 97 C 8.42 4.62 0.00 2.91 2.94 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 98 T 9.06 4.29 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 1.20 0.00 0.00 99 P 0.00 4.26 0.00 2.23 2.27 0.00 3.61 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 2.15 2.21 0.00 100 G 8.04 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 0.00 101 E 8.23 3.95 0.00 2.24 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 0.00 2.30 2.33 0.00 102 K 8.08 3.77 0.00 0.99 0.77 0.00 1.08 0.00 0.00 1.00 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.18 1.38 7.81 103 A 8.04 4.05 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 0.00 104 D 8.30 4.33 0.00 2.85 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 0.00 105 L 8.25 4.08 0.00 1.79 1.77 0.97 0.76 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 0.00 106 L 8.06 3.64 0.00 1.69 1.48 1.02 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.90 3.98 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 0.00 108 W 8.12 4.23 0.00 3.60 3.37 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 0.00 109 L 8.15 3.35 0.00 1.52 1.78 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.40 4.33 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 0.00 111 A 7.34 4.32 1.27 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 0.00 0.00 112 Q 7.45 3.92 0.00 1.75 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.49 0.00 0.00 0.00 0.00 0.00 1.74 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.