NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.2685 0.0000 0.0000 62.8471 31.5373 175.7381 13 E 4.3292 8.0692 124.2972 55.0989 29.5327 172.3094 14 A 4.8526 9.0194 129.3263 51.4637 21.0288 175.9304 15 V 4.7775 8.7900 111.4868 60.1039 36.9468 174.5937 16 V 4.9222 8.7192 115.1280 59.6589 34.8953 175.0623 17 V 4.7635 8.7967 124.4953 61.1300 34.0927 174.2443 18 L 5.0055 8.8456 128.7116 54.2302 43.2750 175.4771 19 C 5.7252 8.7544 122.4045 57.1843 35.6581 172.4529 20 T 5.1008 8.6870 121.1065 61.9856 69.9085 173.6495 21 A 4.6838 8.6420 128.5300 49.2645 21.5253 175.9350 22 P 4.4273 0.0000 0.0000 65.6789 31.8493 176.1886 23 D 4.5609 7.3839 116.9033 51.6209 42.8825 175.9375 24 E 3.9526 8.5873 118.1916 59.1282 29.4159 179.1052 25 A 3.9848 7.9939 120.4645 55.7293 18.3923 179.7463 26 T 3.7848 8.9826 114.1995 66.5809 68.4282 176.8869 27 A 3.9555 8.1933 122.9073 55.2684 18.3036 179.7506 28 Q 3.9344 8.3728 116.7508 59.1369 28.8629 178.6405 29 D 4.3351 8.0536 119.8675 57.3309 40.9898 178.9138 30 L 3.8926 8.2125 119.4089 57.7650 41.7027 179.2545 31 A 3.9749 8.3087 120.8056 55.2543 18.2217 179.4030 32 A 3.9365 8.2168 119.3124 55.1830 18.4927 179.7859 33 K 3.8061 7.9003 117.8003 59.9046 32.3486 179.5260 34 V 3.7244 7.6881 112.1990 63.9838 31.4310 178.6817 35 L 3.9997 8.0550 118.8908 57.5937 41.3038 179.1951 36 A 4.0270 8.1921 120.2158 54.8173 18.3720 178.5766 37 E 4.2066 7.9318 114.2057 55.4188 30.3926 176.5063 38 K 3.8458 7.9883 118.3933 57.4942 30.2689 176.6313 39 L 4.3572 7.9721 117.5808 55.3454 42.6076 177.3087 40 A 4.7734 7.5134 119.5682 50.0874 22.1254 175.7103 41 A 3.9529 8.6998 124.4765 54.8635 19.0524 177.5332 42 C 4.9512 7.3998 107.4020 57.7141 32.6919 172.9882 43 A 5.1860 8.6624 120.6509 50.5398 21.8228 175.3975 44 T 4.6279 9.1735 118.4994 61.6805 71.5159 173.1466 45 L 5.0114 8.5945 125.8213 53.0340 43.9963 176.0503 46 L 4.6953 9.0706 124.8119 52.3200 43.3750 174.5912 47 P 4.7150 0.0000 0.0000 61.9011 33.2082 175.5824 48 G 3.8098 8.5622 104.9508 46.6562 0.0000 173.4355 49 A 4.5328 8.0930 121.0248 51.0791 20.6492 177.4704 50 T 4.8465 8.4970 118.2113 62.1020 70.3647 174.1817 51 S 4.6823 8.7793 122.9419 56.7674 65.4632 173.2869 52 L 5.1090 7.8709 122.1510 53.2455 44.9679 175.3458 53 Y 4.9541 8.9139 119.0959 56.5902 43.1505 173.8591 54 Y 5.2181 8.9153 123.5840 56.6375 41.6197 175.0962 *55 W 4.5074 8.5114 127.6935 55.4074 31.6670 172.2167 56 E 3.8757 9.8210 124.0355 56.4439 26.5047 175.8785 57 G 3.7640 7.8769 104.7554 44.8952 0.0000 173.4252 58 K 4.5415 7.5419 121.0009 53.9428 34.6866 174.4816 59 L 4.9197 8.7398 128.4937 55.0111 42.9752 175.1430 60 E 4.7329 9.7013 127.9541 54.4151 32.0413 174.0145 61 Q 5.1308 8.7489 127.7188 54.4341 31.3614 174.0859 62 E 4.7185 8.9822 124.3698 54.7377 34.6119 173.9038 63 Y 5.0878 8.4842 118.0550 56.6207 40.6616 174.9817 64 E 5.1266 9.4638 123.1268 54.9616 35.1775 173.9682 65 V 4.7992 8.8404 119.9703 61.4319 34.4685 174.2154 66 Q 4.7195 9.0903 129.8789 55.5348 30.4277 174.2157 67 M 5.0270 9.2841 126.8726 54.1679 34.7645 175.3520 68 I 4.9585 8.8072 122.6566 59.6780 40.8163 174.2927 69 L 5.1579 9.1039 127.7170 52.8271 44.6586 175.6274 70 K 4.9252 8.9094 123.2289 55.5365 34.1486 175.7369 71 T 4.8271 8.5482 119.3969 61.6330 71.1193 172.1489 72 T 5.0364 8.2662 109.7072 59.4982 71.5903 174.9711 73 V 3.6312 8.3627 122.3061 66.3753 31.1302 178.6157 74 S 4.1894 8.1228 112.5932 60.9079 63.2314 174.9899 75 H 4.6924 8.1137 118.0916 55.6559 29.0542 176.6978 76 Q 4.0241 7.7768 120.8212 59.3533 28.2843 178.5060 77 Q 3.9052 8.0210 120.7511 58.8492 29.2081 177.8163 78 A 3.9662 7.9026 121.4063 54.8128 18.4221 178.8792 79 L 3.8769 8.0026 118.9183 58.6688 42.1238 179.2415 80 I 3.7000 7.8944 119.4285 64.7250 37.0499 178.2534 81 D 4.3660 8.3332 119.6751 57.3353 40.6097 178.4324 82 C 4.1742 8.3385 119.4062 62.3825 31.6436 175.5746 83 L 3.9958 8.1427 120.7761 57.7051 41.0067 179.4400 84 K 3.9445 8.0009 118.3745 59.5155 32.2211 178.4225 85 S 4.2151 7.8882 112.3122 61.6407 62.4696 175.3152 86 H 4.4287 8.0376 116.1786 56.1490 28.2126 175.2619 87 H 4.3145 7.6777 122.4261 54.8370 30.3064 174.4063 88 P 4.4952 0.0000 0.0000 65.6365 31.4966 176.5621 89 Y 4.6087 7.3259 113.3335 57.4481 38.6241 175.5867 90 Q 4.1379 8.8741 124.0565 59.3100 29.7456 177.0101 91 T 4.6803 7.4230 111.5458 61.0381 68.7602 171.8309 92 P 4.5649 0.0000 0.0000 62.0290 32.8998 176.7207 93 E 4.1210 8.7473 121.3742 56.6284 30.7144 175.5881 94 L 4.8859 8.4987 126.3470 53.4430 45.0339 175.5159 95 L 4.9172 8.8705 123.7155 52.7412 46.0794 175.8582 96 V 4.8007 8.4517 121.3875 61.1755 33.7738 174.5517 97 L 4.9727 8.8075 127.7082 52.2223 44.4604 174.1701 98 P 4.6925 0.0000 0.0000 62.6418 32.7005 175.6754 99 V 4.2890 8.0359 122.8635 62.1522 31.6922 175.7676 100 T 4.3353 8.5916 117.7560 62.3547 69.6712 173.2575 101 H 4.5436 6.9622 120.0532 55.3080 32.5442 171.6442 102 G 3.9241 7.3381 110.2688 44.1501 0.0000 172.3658 103 D 4.4616 7.8747 118.5121 54.0996 42.3085 176.5538 104 T 3.8831 8.6172 123.8358 67.0478 68.5490 176.3438 105 D 4.3738 8.1710 120.1961 57.3492 40.9338 177.8886 106 Y 4.0385 8.4881 120.0460 60.9097 38.8416 178.3445 107 L 4.1081 8.3776 120.0233 57.6721 41.6273 179.5367 108 S 4.0223 8.4020 113.4703 60.9948 62.3629 175.8656 109 W 4.0030 8.2756 131.1446 60.3368 30.2170 177.3148 110 L 3.1044 7.8075 119.1696 58.1226 41.6973 178.3006 111 N 4.2467 7.8967 116.3594 56.5916 38.7048 176.5492 112 A 3.9048 7.6758 120.9882 55.3895 18.4503 179.5631 113 S 3.8684 7.2773 112.4284 59.9782 62.9402 174.8726 114 L 4.4538 6.5003 120.6293 52.8557 42.8062 176.8658 115 R 4.0667 8.2831 116.3644 56.7033 29.1988 176.5508 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 12 P 0.00 4.27 0.00 2.19 2.16 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 13 E 8.07 4.33 0.00 1.76 1.91 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 2.26 1.95 0.00 14 A 9.02 4.85 1.29 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 0.00 0.00 15 V 8.79 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 0.70 0.00 0.00 1.00 0.00 0.00 16 V 8.72 4.92 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 0.78 0.00 0.00 0.96 0.00 0.00 17 V 8.80 4.76 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 1.10 0.00 0.00 0.95 0.00 0.00 18 L 8.85 5.01 0.00 1.66 1.59 0.94 0.92 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 19 C 8.75 5.73 0.00 3.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.69 5.10 4.38 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 1.42 0.00 0.00 21 A 8.64 4.68 1.15 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 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.43 0.00 2.27 2.42 0.00 3.53 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 23 D 7.38 4.56 0.00 2.94 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 24 E 8.59 3.95 0.00 2.04 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 2.41 2.38 0.00 25 A 7.99 3.98 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 26 T 8.98 3.78 4.33 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 1.05 0.00 0.00 27 A 8.19 3.96 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 28 Q 8.37 3.93 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 29 D 8.05 4.34 0.00 2.84 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 30 L 8.21 3.89 0.00 1.78 1.69 0.76 0.96 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 31 A 8.31 3.97 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 32 A 8.22 3.94 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 33 K 7.90 3.81 0.00 1.95 1.81 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.24 7.81 34 V 7.69 3.72 2.07 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 0.78 0.00 0.00 1.03 0.00 0.00 35 L 8.06 4.00 0.00 1.71 1.71 0.95 0.52 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 36 A 8.19 4.03 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 37 E 7.93 4.21 0.00 1.97 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 2.48 2.47 0.00 38 K 7.99 3.85 0.00 1.91 1.83 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.35 7.81 39 L 7.97 4.36 0.00 1.76 1.72 0.92 0.55 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 40 A 7.51 4.77 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 41 A 8.70 3.95 0.88 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 0.00 0.00 42 C 7.40 4.95 0.00 3.13 3.31 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 43 A 8.66 5.19 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 44 T 9.17 4.63 4.27 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 1.22 0.00 0.00 45 L 8.59 5.01 0.00 1.52 1.59 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.07 4.70 0.00 1.61 1.61 0.93 0.86 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 47 P 0.00 4.72 0.00 2.07 2.19 0.00 3.62 0.00 0.00 3.79 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 48 G 8.56 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 49 A 8.09 4.53 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 50 T 8.50 4.85 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 1.09 0.00 0.00 51 S 8.78 4.68 0.00 3.71 3.28 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 52 L 7.87 5.11 0.00 1.31 1.42 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.91 4.95 0.00 2.86 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 54 Y 8.92 5.22 0.00 2.84 2.87 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 *55 W 8.51 4.51 0.00 2.42 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 0.00 0.00 0.00 56 E 9.82 3.88 0.00 1.95 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 2.16 2.20 0.00 57 G 7.88 3.76 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 0.00 0.00 0.00 58 K 7.54 4.54 0.00 1.72 1.68 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.34 7.81 59 L 8.74 4.92 0.00 1.82 1.64 1.00 0.88 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 60 E 9.70 4.73 0.00 2.07 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 2.26 2.25 0.00 61 Q 8.75 5.13 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.59 0.00 0.00 0.00 0.00 0.00 1.82 2.16 0.00 62 E 8.98 4.72 0.00 2.03 1.84 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 2.23 2.30 0.00 63 Y 8.48 5.09 0.00 2.90 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 64 E 9.46 5.13 0.00 1.94 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 0.00 2.41 2.37 0.00 65 V 8.84 4.80 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 1.02 0.00 0.00 0.93 0.00 0.00 66 Q 9.09 4.72 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 67 M 9.28 5.03 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 68 I 8.81 4.96 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.94 0.00 0.00 69 L 9.10 5.16 0.00 1.60 1.56 0.97 0.62 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 70 K 8.91 4.93 0.00 2.01 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.56 7.81 71 T 8.55 4.83 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 1.22 0.00 0.00 72 T 8.27 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 73 V 8.36 3.63 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 1.05 0.00 0.00 0.94 0.00 0.00 74 S 8.12 4.19 0.00 4.02 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 75 H 8.11 4.69 0.00 3.15 3.35 0.00 5.62 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 76 Q 7.78 4.02 0.00 2.26 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 77 Q 8.02 3.91 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 78 A 7.90 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 79 L 8.00 3.88 0.00 1.88 1.94 0.93 0.90 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 80 I 7.89 3.70 2.02 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 1.54 0.57 0.92 0.00 0.00 81 D 8.33 4.37 0.00 2.83 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 82 C 8.34 4.17 0.00 3.11 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 83 L 8.14 4.00 0.00 1.91 1.73 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.00 3.94 0.00 1.88 1.96 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.46 7.81 85 S 7.89 4.22 0.00 4.02 4.02 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 86 H 8.04 4.43 0.00 3.28 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.68 4.31 0.00 3.44 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.50 0.00 2.34 2.21 0.00 3.36 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.91 0.00 89 Y 7.33 4.61 0.00 2.83 2.77 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 90 Q 8.87 4.14 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.34 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 91 T 7.42 4.68 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 1.22 0.00 0.00 92 P 0.00 4.56 0.00 1.97 1.52 0.00 3.83 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 1.83 0.00 93 E 8.75 4.12 0.00 2.18 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 2.42 2.40 0.00 94 L 8.50 4.89 0.00 1.52 1.55 0.96 0.98 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 95 L 8.87 4.92 0.00 1.59 1.52 1.00 0.68 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 96 V 8.45 4.80 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 0.85 0.00 0.00 0.95 0.00 0.00 97 L 8.81 4.97 0.00 1.61 1.54 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.69 0.00 2.09 2.06 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 99 V 8.04 4.29 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 0.86 0.00 0.00 0.98 0.00 0.00 100 T 8.59 4.34 4.27 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 1.23 0.00 0.00 101 H 6.96 4.54 0.00 3.05 3.21 0.00 6.03 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 0.00 102 G 7.34 3.92 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 0.00 103 D 7.87 4.46 0.00 2.82 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 0.00 104 T 8.62 3.88 4.27 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 1.23 0.00 0.00 105 D 8.17 4.37 0.00 2.92 2.77 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 0.00 106 Y 8.49 4.04 0.00 3.16 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 0.00 107 L 8.38 4.11 0.00 1.76 1.73 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.40 4.02 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.28 4.00 0.00 3.40 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 0.00 110 L 7.81 3.10 0.00 1.50 1.70 1.02 0.93 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 0.00 111 N 7.90 4.25 0.00 2.73 2.70 0.00 0.00 7.16 8.47 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 0.00 112 A 7.68 3.90 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 0.00 113 S 7.28 3.87 0.00 3.45 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 0.00 114 L 6.50 4.45 0.00 1.51 1.15 0.66 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.28 4.07 0.00 1.93 1.92 0.00 3.08 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.