NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4711 8.3231 116.7914 58.2918 65.1253 172.5444 9 G 3.9187 7.4591 106.9969 44.1070 0.0000 168.8846 10 K 4.3801 9.0847 119.4636 55.3306 40.3500 173.1192 11 R 3.4973 7.0123 122.5648 54.6957 29.8562 175.7697 12 P 3.8391 0.0000 0.0000 64.9219 32.7562 176.0243 13 I 4.4513 11.0501 120.4143 59.5772 35.9609 178.7600 14 V 4.1594 8.4940 110.7827 60.4427 33.1987 172.3040 15 A 4.4306 8.2721 120.6619 51.0127 18.1936 176.0376 16 N 5.0619 8.4047 111.3910 51.4795 40.1226 175.0792 17 S 4.6005 8.3491 116.3261 57.4655 65.8156 173.0418 18 I 5.0365 7.9579 119.1530 59.0675 40.2337 175.1122 19 Q 4.6851 8.5574 125.8641 53.5699 32.0175 175.7752 20 R 4.3350 8.8454 122.4906 57.0846 30.9646 176.6101 21 R 4.3463 9.0836 121.9675 53.8656 30.8727 172.9499 22 G 3.8692 8.5154 109.3663 46.2671 0.0000 169.5453 23 K 4.5822 9.0256 127.3477 55.1787 33.4756 176.1936 24 A 5.1159 8.4649 125.8316 50.3888 21.8468 175.7964 25 K 4.1588 8.2778 118.8627 57.2681 33.8597 179.0116 26 R 3.5063 7.3426 111.3802 56.2676 32.7999 174.8263 27 E 4.8205 7.8802 117.4156 56.0315 37.2355 176.3624 28 G 4.0118 7.4341 114.3859 42.5807 0.0000 172.8103 29 G 4.1194 7.7055 109.7817 44.7376 0.0000 174.2315 30 V 4.3746 7.6545 116.1419 61.7765 32.8330 174.6531 31 G 4.0102 7.8768 104.2773 46.5291 0.0000 173.9577 32 K 4.5769 7.2847 117.0127 53.8206 36.8943 175.5617 33 K 4.4553 8.3035 116.1661 57.2357 30.6440 175.2760 34 T 4.5218 7.6524 118.0800 62.1537 69.7682 171.8863 35 T 4.6193 7.5202 117.2013 59.4956 72.0668 173.1178 36 G 3.6773 8.5531 112.2762 45.3417 0.0000 173.9534 37 I 3.9175 8.6007 119.5247 61.0705 38.3736 175.7368 38 S 5.1803 7.4024 116.6163 57.3924 63.9129 174.1582 39 K 4.6603 7.5348 120.2145 57.0411 34.0799 173.6308 40 R 4.6510 7.7320 120.6842 54.9639 34.1289 173.8560 41 R 4.3256 8.6059 121.3018 56.6723 30.6230 176.2007 42 Q 4.6679 8.8006 124.4935 54.5456 32.8870 173.6354 43 Y 4.6000 8.5780 123.8116 55.3658 39.4724 172.8416 44 P 4.6343 0.0000 0.0000 61.2656 30.4456 175.1030 45 N 4.4975 8.1966 124.9618 53.3435 39.4904 174.8184 46 L 4.0965 8.2305 122.2973 55.5867 41.9348 177.3020 47 Q 4.2126 8.2116 121.5235 55.0829 27.5861 174.8579 48 K 4.1879 7.6153 120.6214 56.5434 33.3708 176.5863 49 V 4.6382 7.5726 126.7980 62.8639 35.5360 170.1305 50 R 4.9860 8.4152 122.1624 55.0191 32.2027 175.3379 51 V 4.0819 9.2657 119.9521 62.5221 34.8628 174.1752 52 R 4.0192 9.1278 127.1142 53.6428 29.7049 177.1408 53 V 3.3037 8.1672 121.1900 61.3639 32.7233 171.6069 54 A 4.5313 7.9581 121.0499 51.3104 21.8517 176.5071 55 G 4.2069 8.1241 104.4433 45.3113 0.0000 172.4598 56 Q 4.4289 7.6023 118.2755 56.2292 33.0514 172.1538 57 E 4.1931 8.2642 117.3060 56.2474 28.5274 175.4577 58 I 3.9075 7.0155 120.2578 63.1909 40.6929 176.0123 59 T 4.4539 7.7470 109.1159 62.1403 68.7902 173.8731 60 F 4.8841 9.3276 128.3044 56.3882 40.6749 174.9898 61 R 5.0421 7.8599 119.1219 54.9556 28.5524 175.3764 62 V 3.9051 7.8434 120.5627 60.5096 33.2862 180.4999 63 A 4.6453 8.5161 129.1514 51.7320 17.5391 177.7719 64 A 4.5708 8.4990 119.7483 55.9342 21.1530 178.5003 65 S 4.3194 8.2122 109.1109 61.2330 62.8243 174.9561 66 H 5.0740 7.8448 116.7163 55.2215 29.2384 175.8364 67 I 4.0317 8.2458 123.5467 63.7625 38.1166 177.3631 68 P 4.8289 0.0000 0.0000 59.7036 30.1256 176.4062 69 K 3.7776 8.4003 113.3568 57.2032 32.4675 177.5993 70 V 3.6432 7.2327 115.6190 66.0825 32.2926 177.9525 71 Y 4.1717 8.1384 116.1655 60.9857 38.0142 177.4840 72 E 4.0046 8.3714 119.4745 59.3254 29.2415 179.4471 73 L 3.9794 7.3166 120.1732 58.1676 42.5011 178.7097 74 V 3.7383 7.9702 118.2724 65.7836 31.0752 176.7029 75 E 4.5842 7.7900 117.0688 55.3055 30.4015 177.9104 76 R 4.2553 8.7545 121.2810 54.7486 29.3442 180.1293 77 A 3.9032 9.7246 135.0000 54.0622 15.8371 178.5483 78 K 4.4299 7.8971 120.6874 56.9922 32.5008 176.9922 79 G 3.9264 7.8890 101.0956 46.2668 0.0000 169.8598 80 L 4.8774 7.7460 122.8972 53.0834 45.6354 176.3795 81 K 4.4408 8.0740 118.8101 54.8608 35.8236 174.0838 82 L 3.9221 8.3308 122.5580 55.6262 41.2665 176.0515 83 E 4.3784 8.7006 123.3798 55.6879 32.9938 175.9508 84 G 4.0413 8.7353 109.3589 44.3716 0.0000 174.1514 85 L 3.8526 8.9298 119.2293 57.9968 42.9035 179.4071 86 S 4.6109 10.0629 110.4150 57.9260 60.7367 171.0315 87 P 4.8089 0.0000 0.0000 64.3474 32.4849 176.5358 88 K 4.1818 7.9100 118.5364 59.5431 32.4955 178.5219 89 E 4.0675 8.1946 116.9074 57.1964 29.3394 177.2673 90 I 4.5639 7.1273 118.3514 62.3438 39.4258 177.5576 91 K 4.2322 9.4398 116.5714 57.8599 31.8554 177.7889 92 K 4.4160 9.4850 117.8283 56.2960 32.9251 176.5974 93 E 4.5717 7.8611 116.9370 55.6805 29.6848 175.8278 94 L 4.1805 7.6806 121.2069 55.3912 42.8077 175.7332 95 L 4.2657 8.0537 123.9394 54.0285 43.1315 178.0736 *96 K 4.1215 8.3412 119.8348 55.1539 32.3453 172.7659 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 8 S 8.32 4.47 0.00 3.89 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 9 G 7.46 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 10 K 9.08 4.38 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.38 7.81 11 R 7.01 3.50 0.00 1.91 1.71 0.00 3.16 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 12 P 0.00 3.84 0.00 2.06 2.36 0.00 3.41 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 13 I 11.05 4.45 1.72 0.00 0.00 0.75 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 0.58 0.92 0.00 0.00 14 V 8.49 4.16 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 0.63 0.00 0.00 0.90 0.00 0.00 15 A 8.27 4.43 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 16 N 8.40 5.06 0.00 2.30 2.56 0.00 0.00 5.84 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 17 S 8.35 4.60 0.00 3.85 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 18 I 7.96 5.04 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 1.02 0.00 0.00 19 Q 8.56 4.69 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 20 R 8.85 4.34 0.00 1.70 1.90 0.00 3.31 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 21 R 9.08 4.35 0.00 1.86 1.78 0.00 3.15 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 22 G 8.52 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 0.00 0.00 0.00 23 K 9.03 4.58 0.00 1.80 1.75 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.54 7.81 24 A 8.46 5.12 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 25 K 8.28 4.16 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.35 7.81 26 R 7.34 3.51 0.00 2.00 2.23 0.00 2.68 0.00 0.00 3.42 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 27 E 7.88 4.82 0.00 2.26 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 2.19 2.26 0.00 28 G 7.43 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 0.00 0.00 0.00 29 G 7.71 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 0.00 0.00 0.00 30 V 7.65 4.37 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 0.85 0.00 0.00 0.93 0.00 0.00 31 G 7.88 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 0.00 0.00 0.00 32 K 7.28 4.58 0.00 1.86 1.82 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.41 7.81 33 K 8.30 4.46 0.00 1.78 1.83 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.47 7.81 34 T 7.65 4.52 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 1.21 0.00 0.00 35 T 7.52 4.62 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 1.21 0.00 0.00 36 G 8.55 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.60 3.92 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.93 0.00 0.00 38 S 7.40 5.18 0.00 3.99 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 39 K 7.53 4.66 0.00 1.80 1.73 0.00 1.27 0.00 0.00 0.91 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.15 1.04 7.81 40 R 7.73 4.65 0.00 1.87 1.77 0.00 3.18 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 41 R 8.61 4.33 0.00 1.75 1.90 0.00 3.41 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 Q 8.80 4.67 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 43 Y 8.58 4.60 0.00 2.86 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 44 P 0.00 4.63 0.00 2.06 2.34 0.00 3.92 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 1.90 2.01 0.00 45 N 8.20 4.50 0.00 2.60 2.74 0.00 0.00 7.24 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 46 L 8.23 4.10 0.00 1.68 1.61 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.21 4.21 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 48 K 7.62 4.19 0.00 1.77 1.72 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.51 7.81 49 V 7.57 4.64 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 50 R 8.42 4.99 0.00 1.90 1.93 0.00 3.07 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 51 V 9.27 4.08 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 0.90 0.00 0.00 1.00 0.00 0.00 52 R 9.13 4.02 0.00 1.81 1.72 0.00 3.41 0.00 0.00 3.28 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 53 V 8.17 3.30 1.73 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 0.35 0.00 0.00 0.67 0.00 0.00 54 A 7.96 4.53 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 55 G 8.12 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 0.00 0.00 0.00 56 Q 7.60 4.43 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.41 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 57 E 8.26 4.19 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 58 I 7.02 3.91 1.66 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.78 0.45 0.00 0.00 59 T 7.75 4.45 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 1.22 0.00 0.00 60 F 9.33 4.88 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 5.04 0.00 1.80 1.80 0.00 3.26 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 62 V 7.84 3.91 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 0.78 0.00 0.00 0.98 0.00 0.00 63 A 8.52 4.65 1.01 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 0.00 0.00 64 A 8.50 4.57 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 65 S 8.21 4.32 0.00 4.02 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 0.00 66 H 7.84 5.07 0.00 3.09 3.30 0.00 5.72 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.25 4.03 1.94 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 1.41 0.66 1.03 0.00 0.00 68 P 0.00 4.83 0.00 2.22 1.80 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 69 K 8.40 3.78 0.00 1.99 1.80 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.45 7.81 70 V 7.23 3.64 2.29 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 1.01 0.00 0.00 1.14 0.00 0.00 71 Y 8.14 4.17 0.00 3.16 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 72 E 8.37 4.00 0.00 2.22 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 2.39 2.40 0.00 73 L 7.32 3.98 0.00 1.97 1.79 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.97 3.74 2.31 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 1.04 0.00 0.00 0.81 0.00 0.00 75 E 7.79 4.58 0.00 2.20 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 2.64 2.53 0.00 76 R 8.75 4.26 0.00 1.84 0.98 0.00 3.30 0.00 0.00 3.24 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 77 A 9.72 3.90 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 78 K 7.90 4.43 0.00 1.68 1.72 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.46 7.81 79 G 7.89 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 0.00 0.00 0.00 80 L 7.75 4.88 0.00 1.58 1.53 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.07 4.44 0.00 1.67 1.69 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.40 7.81 82 L 8.33 3.92 0.00 1.57 1.67 0.92 0.76 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 83 E 8.70 4.38 0.00 1.88 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 2.16 2.34 0.00 84 G 8.74 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 0.00 0.00 0.00 0.00 85 L 8.93 3.85 0.00 1.80 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 86 S 10.06 4.61 0.00 3.90 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 87 P 0.00 4.81 0.00 2.42 2.44 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 88 K 7.91 4.18 0.00 2.01 2.12 0.00 1.53 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.51 7.81 89 E 8.19 4.07 0.00 2.19 2.26 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 2.38 2.37 0.00 90 I 7.13 4.56 2.12 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 1.55 1.77 0.98 0.00 0.00 91 K 9.44 4.23 0.00 1.75 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.27 1.64 7.81 92 K 9.48 4.42 0.00 1.89 1.84 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 93 E 7.86 4.57 0.00 2.11 2.12 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 2.40 2.37 0.00 94 L 7.68 4.18 0.00 1.80 1.62 0.90 0.97 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 95 L 8.05 4.27 0.00 1.66 1.60 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 8.34 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.