NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.5174 0.0000 0.0000 62.5975 32.7145 175.1671 12 K 4.7298 8.9428 123.4506 53.1513 37.0999 173.1726 13 L 5.2069 9.9030 121.5144 52.0681 45.7564 176.0052 14 L 4.9723 8.7226 123.7217 54.0246 42.6548 174.6956 15 Y 5.0713 9.2438 126.9197 56.3196 40.8741 173.7453 16 C 3.8994 8.1986 128.0985 57.2010 32.6164 174.0561 17 S 3.7153 7.4227 122.5469 60.3753 62.4116 173.6564 18 N 4.3690 7.4613 120.9342 54.5447 37.3410 174.5332 19 G 3.7835 7.9427 112.6213 45.3783 0.0000 171.9712 20 G 3.9781 7.0937 105.8557 44.6156 0.0000 171.0389 21 H 4.5640 6.9379 117.0738 53.9813 33.4692 173.5350 22 F 6.0200 8.5789 117.7980 54.6974 40.9392 175.3521 23 L 4.3753 8.9838 125.4686 56.1570 43.0503 175.6598 24 R 5.1968 9.4502 125.4085 53.7621 33.4527 174.2302 25 I 4.6255 8.3619 127.7539 59.0406 35.8401 175.3922 26 L 4.0102 8.7240 126.8115 53.6110 42.6850 176.7953 27 P 4.3321 0.0000 0.0000 66.0998 31.0710 177.3431 28 D 4.7843 7.7303 114.3310 53.4143 39.2984 177.7982 29 G 3.9872 8.1507 106.7760 46.7371 0.0000 173.8930 30 T 4.4860 7.4444 117.6461 62.5128 69.3544 173.9331 31 V 5.0471 8.1653 125.3741 61.1699 34.6191 174.3597 32 D 4.5145 8.8284 126.3858 53.0083 43.0805 174.0608 33 G 4.5055 8.0035 104.4549 45.6167 0.0000 172.0692 34 T 4.7436 8.2861 112.1121 61.3782 70.7639 174.4919 35 R 3.8955 8.7686 125.4639 57.1656 30.9563 175.6649 36 D 4.5120 7.8427 117.8881 54.2015 40.0144 176.4969 37 R 4.0037 8.5918 126.5648 59.0106 30.3155 177.6283 38 S 4.3243 7.9896 111.5374 59.0892 63.5192 173.8791 39 D 4.3560 8.3579 122.5518 54.4378 41.0681 176.8981 40 Q 4.2317 8.6846 125.1150 58.0160 28.8750 176.3829 41 H 4.9920 8.2811 115.7586 55.5579 29.4978 174.6278 42 I 4.8053 7.3897 109.7295 59.9061 39.3931 174.6896 43 Q 4.5229 8.0080 123.3571 55.5439 29.6561 174.4257 44 L 5.0057 9.1752 125.1858 52.9206 44.5370 175.9252 45 Q 4.7421 9.1032 125.1830 54.1348 30.1207 173.9481 46 L 4.7269 8.4729 126.4396 54.8778 42.5972 176.6676 47 S 4.7807 9.4958 121.4545 56.6717 64.8899 173.7896 48 A 4.7856 8.7024 128.9559 51.5036 18.0951 176.2371 49 E 4.2294 8.6687 124.5877 59.0428 30.2134 176.0325 50 S 4.6407 7.5962 112.6640 56.9264 67.0483 174.4089 51 V 3.6283 8.5163 120.2594 66.0660 31.2860 176.5585 52 G 4.2411 7.9683 102.7638 45.6649 0.0000 171.6256 53 E 5.3445 8.0708 120.3436 54.8916 32.6455 175.4385 54 V 5.0861 8.9042 114.3713 60.5258 37.0520 173.3429 55 Y 5.1441 9.4548 119.8814 56.4122 41.5820 175.2587 56 I 4.8383 8.7263 122.7932 59.6886 40.2275 174.0603 57 K 4.7967 8.2906 128.3408 54.0608 35.2233 175.3734 58 S 4.6226 8.9934 122.2634 58.8221 63.0848 174.8990 59 T 3.9543 8.3246 116.6831 64.7286 68.8354 176.2043 60 E 4.1236 8.4017 120.8335 58.2143 29.6989 177.5705 61 T 4.3525 8.2180 106.9556 60.3897 70.5021 175.4030 62 G 3.8023 7.8839 108.8595 45.5220 0.0000 173.5032 63 Q 4.3986 7.4843 119.2454 55.8669 30.0800 175.1770 64 Y 4.7741 9.4984 121.8077 57.0435 40.0951 174.8819 65 L 4.5845 9.4301 125.1299 55.6022 43.6015 175.7200 66 A 4.9876 8.4511 125.7417 52.3483 24.2745 174.5339 *68 D 5.7093 8.8803 113.5275 53.7968 40.7178 176.5061 69 T 4.0189 8.6540 108.6280 65.0210 68.4104 174.6966 70 D 4.5780 8.7242 119.7834 54.3563 41.1645 176.6797 71 G 3.3827 8.7804 108.3910 45.8679 0.0000 172.4901 72 L 4.8074 8.0307 120.6077 52.5298 43.5890 176.1947 73 L 4.5759 8.4418 126.1137 55.3891 42.5550 175.3909 74 Y 4.9280 8.9261 119.0421 56.4377 41.9435 174.0690 75 G 3.9884 8.9269 108.9172 45.1324 0.0000 173.1994 76 S 4.8075 8.8062 122.5062 57.8070 63.3653 174.9674 77 Q 3.8140 8.9961 124.4421 57.4725 29.2558 176.2451 78 T 4.5778 7.5624 114.0624 60.5845 70.7216 172.1993 79 P 4.0640 0.0000 0.0000 62.6471 30.8735 174.5588 80 N 5.1517 8.0411 122.7586 50.5431 40.2531 174.4711 81 E 3.8216 8.6522 117.1378 59.6397 29.9504 178.9590 82 E 3.9496 8.1164 117.2086 58.3755 29.6130 177.5380 83 C 4.6633 7.4585 114.3057 58.5397 29.2683 173.1759 84 L 3.7101 6.9593 123.8697 54.0518 42.7120 175.3620 85 F 5.3613 8.8242 124.7780 55.6762 42.8612 174.7263 86 L 4.8004 9.1177 123.4241 53.6745 42.3129 175.5776 87 E 4.1806 8.3958 125.6421 55.8578 30.6279 175.7107 88 R 4.6963 8.6973 123.8905 55.2532 35.7462 173.3586 89 L 5.3101 8.3086 119.7931 53.2716 43.8191 176.7565 90 E 4.4313 9.4846 124.9344 55.0517 30.9313 176.7880 91 E 4.0311 8.8480 123.4345 59.5297 29.7411 178.0799 92 N 4.7954 7.6973 114.2305 53.9451 38.8076 174.8237 93 H 4.0467 7.9938 113.4660 56.8118 26.2296 173.6859 94 Y 5.0792 8.0022 116.2146 56.4248 43.6677 174.9738 95 N 5.4604 9.5068 120.0043 52.4991 40.2596 174.4445 96 T 5.2439 9.0891 114.7919 60.3748 72.2194 173.5333 97 Y 4.8774 8.5957 119.9289 56.3753 40.8194 173.8262 98 I 4.5961 8.5759 125.2894 59.5651 40.0488 174.6780 99 S 4.3346 8.7438 124.1528 58.2889 62.0467 173.9715 100 K 3.9498 8.5770 129.7367 59.3135 32.4225 178.8425 101 K 3.7674 7.8393 118.7486 59.7389 32.3438 176.9724 102 H 4.7477 7.9645 113.1323 54.7979 28.8997 176.8872 103 A 3.8235 7.4808 125.8188 55.3396 18.2469 180.4581 104 E 3.9004 8.1896 113.1329 59.3145 29.3162 178.8450 105 K 3.9904 7.9113 116.9345 56.1630 32.5580 175.7101 106 N 3.8876 7.9275 116.5593 54.3039 37.3913 174.0079 107 W 4.9937 7.8363 117.3677 55.4635 31.0832 176.9066 108 F 5.1677 9.0966 124.0675 55.6536 41.2233 175.5258 109 V 3.9697 8.6501 120.6338 63.0272 32.0272 175.3088 110 G 4.4764 8.3831 112.5781 45.5710 0.0000 171.3817 111 L 5.3630 8.2325 119.2090 52.4358 44.9756 177.6147 112 K 4.1751 9.2153 123.6438 55.7850 32.5708 178.3827 113 K 4.0623 8.4988 120.0513 59.6166 32.5415 177.9464 114 N 4.6880 7.9839 115.2767 52.8971 37.4992 173.8425 115 G 3.7822 8.4781 110.0376 45.7415 0.0000 174.5714 116 S 4.3049 7.8634 113.5496 58.1570 64.1103 173.8241 117 C 4.6625 8.5483 116.4066 58.2882 30.5052 172.6025 118 K 4.3704 8.2876 123.7149 54.6072 32.8725 176.2162 119 R 3.8936 8.7894 127.7196 56.6910 30.4864 176.3379 120 G 3.5240 8.7680 115.1673 48.4883 0.0000 173.5282 121 P 4.0926 0.0000 0.0000 63.6704 31.2812 177.0632 122 R 4.2569 7.8098 118.2887 57.7768 30.8439 177.1395 123 T 5.0858 7.6863 106.7302 61.1511 69.9046 173.4102 124 H 5.3401 8.5783 120.9770 54.7167 32.9748 172.0160 125 Y 3.9641 8.7494 126.2289 59.4383 38.7543 176.5597 126 G 3.6991 8.6590 114.5678 45.0986 0.0000 173.1370 127 Q 4.2190 7.6378 119.6973 54.5772 29.9698 177.0092 128 K 3.7057 8.6186 123.0761 59.3744 32.6091 178.6618 129 A 3.9224 7.9775 121.3467 54.3935 18.3073 178.3104 130 I 4.5295 7.2354 107.0016 61.1108 37.8926 175.8106 131 L 4.3142 7.8419 123.5655 54.7131 42.3951 176.1603 132 F 5.2720 9.3391 121.9115 55.7325 43.4931 174.4065 133 L 4.9551 8.9823 122.1614 53.4659 45.2588 173.3421 134 P 5.0599 0.0000 0.0000 62.6991 31.6468 175.7037 135 L 4.8855 9.2330 126.1616 52.2961 44.0608 174.7528 136 P 4.8723 0.0000 0.0000 62.2042 32.8549 176.5327 137 V 3.8092 8.1264 119.6467 61.9593 31.6938 175.8509 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 11 P 0.00 4.52 0.00 1.87 1.92 0.00 3.65 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 1.84 1.63 0.00 12 K 8.94 4.73 0.00 1.68 1.82 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.51 7.81 13 L 9.90 5.21 0.00 1.64 1.41 0.83 0.24 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 14 L 8.72 4.97 0.00 1.85 2.23 0.36 0.73 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 15 Y 9.24 5.07 0.00 3.52 3.23 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 0.00 16 C 8.20 3.90 0.00 1.72 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 0.00 0.00 0.00 0.00 17 S 7.42 3.72 0.00 4.20 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 18 N 7.46 4.37 0.00 2.52 2.60 0.00 0.00 7.04 7.98 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 19 G 7.94 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 20 G 7.09 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 0.00 0.00 0.00 21 H 6.94 4.56 0.00 2.90 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.58 6.02 0.00 3.02 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 23 L 8.98 4.38 0.00 2.06 1.68 1.07 0.57 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 24 R 9.45 5.20 0.00 1.91 1.93 0.00 3.27 0.00 0.00 3.49 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 25 I 8.36 4.63 1.88 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 1.35 0.75 0.97 0.00 0.00 26 L 8.72 4.01 0.00 1.88 1.63 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.33 0.00 2.21 2.30 0.00 3.57 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 2.05 1.93 0.00 28 D 7.73 4.78 0.00 2.91 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 29 G 8.15 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 0.00 0.00 0.00 30 T 7.44 4.49 4.30 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 1.23 0.00 0.00 31 V 8.17 5.05 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 0.88 0.00 0.00 0.96 0.00 0.00 32 D 8.83 4.51 0.00 2.76 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 33 G 8.00 4.51 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 0.00 0.00 0.00 34 T 8.29 4.74 4.30 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 1.33 0.00 0.00 35 R 8.77 3.90 0.00 1.80 1.89 0.00 3.16 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.33 0.00 36 D 7.84 4.51 0.00 2.75 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 37 R 8.59 4.00 0.00 2.00 2.01 0.00 3.41 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 38 S 7.99 4.32 0.00 4.08 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 39 D 8.36 4.36 0.00 2.86 2.65 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 40 Q 8.68 4.23 0.00 1.79 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.26 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 H 8.28 4.99 0.00 3.26 3.25 0.00 5.56 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.39 4.81 1.94 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 1.06 0.00 0.00 43 Q 8.01 4.52 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 44 L 9.18 5.01 0.00 1.55 1.52 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.10 4.74 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 46 L 8.47 4.73 0.00 1.64 1.74 0.94 1.10 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 47 S 9.50 4.78 0.00 3.88 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 48 A 8.70 4.79 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 49 E 8.67 4.23 0.00 2.16 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 0.00 2.39 2.34 0.00 50 S 7.60 4.64 0.00 3.89 3.73 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 51 V 8.52 3.63 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 0.78 0.00 0.00 0.94 0.00 0.00 52 G 7.97 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 0.00 0.00 0.00 0.00 53 E 8.07 5.34 0.00 1.95 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 2.22 2.26 0.00 54 V 8.90 5.09 2.30 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 0.86 0.00 0.00 1.23 0.00 0.00 55 Y 9.45 5.14 0.00 3.00 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 56 I 8.73 4.84 1.88 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.16 0.80 0.00 0.00 57 K 8.29 4.80 0.00 1.32 1.39 0.00 1.26 0.00 0.00 1.03 0.00 0.00 2.65 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.90 0.21 7.81 58 S 8.99 4.62 0.00 3.87 3.73 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 59 T 8.32 3.95 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 1.23 0.00 0.00 60 E 8.40 4.12 0.00 1.99 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 2.29 2.48 0.00 61 T 8.22 4.35 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 1.24 0.00 0.00 62 G 7.88 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 0.00 0.00 0.00 63 Q 7.48 4.40 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 64 Y 9.50 4.77 0.00 2.99 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 65 L 9.43 4.58 0.00 1.96 1.71 0.47 0.74 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 66 A 8.45 4.99 0.47 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 *68 D 8.88 5.71 0.00 2.98 2.86 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 0.00 0.00 0.00 69 T 8.65 4.02 4.34 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 1.30 0.00 0.00 70 D 8.72 4.58 0.00 2.74 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 71 G 8.78 3.38 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 0.00 72 L 8.03 4.81 0.00 1.58 1.98 0.95 1.04 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 73 L 8.44 4.58 0.00 1.72 1.64 1.02 0.81 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 74 Y 8.93 4.93 0.00 3.09 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 75 G 8.93 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 0.00 0.00 0.00 76 S 8.81 4.81 0.00 4.03 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 77 Q 9.00 3.81 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.45 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 78 T 7.56 4.58 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 1.22 0.00 0.00 79 P 0.00 4.06 0.00 1.98 0.78 0.00 3.63 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 80 N 8.04 5.15 0.00 2.83 2.98 0.00 0.00 5.80 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 81 E 8.65 3.82 0.00 1.99 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 0.00 2.29 2.28 0.00 82 E 8.12 3.95 0.00 2.09 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 2.39 2.39 0.00 83 C 7.46 4.66 0.00 2.63 3.07 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 0.00 84 L 6.96 3.71 0.00 1.23 1.18 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.82 5.36 0.00 3.07 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 86 L 9.12 4.80 0.00 1.55 1.60 0.87 0.77 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 87 E 8.40 4.18 0.00 1.38 1.65 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 2.01 1.47 0.00 88 R 8.70 4.70 0.00 1.73 1.77 0.00 3.28 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 89 L 8.31 5.31 0.00 1.53 1.61 0.95 1.07 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 90 E 9.48 4.43 0.00 2.06 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 2.36 2.27 0.00 91 E 8.85 4.03 0.00 2.11 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 2.39 2.39 0.00 92 N 7.70 4.80 0.00 3.11 2.93 0.00 0.00 7.10 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 93 H 7.99 4.05 0.00 3.11 3.27 0.00 5.80 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.00 5.08 0.00 3.17 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 95 N 9.51 5.46 0.00 3.07 3.03 0.00 0.00 6.84 7.10 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 96 T 9.09 5.24 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 1.26 0.00 0.00 97 Y 8.60 4.88 0.00 2.57 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 98 I 8.58 4.60 1.48 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.01 0.94 0.00 0.00 99 S 8.74 4.33 0.00 4.14 4.09 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 0.00 100 K 8.58 3.95 0.00 1.78 1.64 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.30 7.81 101 K 7.84 3.77 0.00 1.68 1.42 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.32 7.81 102 H 7.96 4.75 0.00 2.95 2.34 0.00 5.72 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 0.00 103 A 7.48 3.82 1.22 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 0.00 0.00 104 E 8.19 3.90 0.00 2.03 2.15 0.00 0.00 0.00 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 2.19 0.00 105 K 7.91 3.99 0.00 0.81 1.48 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.47 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.13 0.87 7.81 106 N 7.93 3.89 0.00 2.89 3.12 0.00 0.00 7.08 7.53 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 0.00 107 W 7.84 4.99 0.00 3.29 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 0.00 108 F 9.10 5.17 0.00 2.96 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 0.00 109 V 8.65 3.97 1.67 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 0.35 0.00 0.00 0.34 0.00 0.00 110 G 8.38 4.48 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 0.00 111 L 8.23 5.36 0.00 1.32 1.42 0.86 1.41 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 0.00 112 K 9.22 4.18 0.00 1.70 1.68 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.41 7.81 113 K 8.50 4.06 0.00 1.84 2.18 0.00 1.47 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.34 7.81 114 N 7.98 4.69 0.00 2.80 2.92 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.48 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 0.00 116 S 7.86 4.30 0.00 3.88 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 0.00 117 C 8.55 4.66 0.00 3.02 3.08 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 0.00 0.00 0.00 118 K 8.29 4.37 0.00 1.86 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.34 7.81 119 R 8.79 3.89 0.00 1.79 1.68 0.00 3.15 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 120 G 8.77 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.09 0.00 2.07 2.00 0.00 2.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 122 R 7.81 4.26 0.00 1.91 1.99 0.00 3.09 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 123 T 7.69 5.09 4.41 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 1.31 0.00 0.00 124 H 8.58 5.34 0.00 3.24 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.75 3.96 0.00 3.28 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 0.00 126 G 8.66 3.70 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 0.00 0.00 0.00 127 Q 7.64 4.22 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 128 K 8.62 3.71 0.00 1.67 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.24 7.81 129 A 7.98 3.92 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 0.00 130 I 7.24 4.53 1.71 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 0.87 0.00 0.00 131 L 7.84 4.31 0.00 1.01 0.87 0.45 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.34 5.27 0.00 3.40 3.08 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 0.00 0.00 0.00 133 L 8.98 4.96 0.00 2.22 1.94 0.98 1.06 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 0.00 134 P 0.00 5.06 0.00 2.10 2.14 0.00 3.88 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 2.22 2.36 0.00 135 L 9.23 4.89 0.00 1.65 1.55 1.07 0.84 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 0.00 136 P 0.00 4.87 0.00 2.06 2.04 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 1.95 1.95 0.00 137 V 8.13 3.81 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 0.67 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.