NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.0070 8.3331 119.6593 55.4612 29.7314 174.8033 9 G 3.9223 7.8216 103.0457 44.4012 0.0000 170.2195 10 I 4.1056 8.2841 120.6459 61.5251 38.9420 173.7855 11 L 4.7906 9.2825 128.1891 53.4120 44.3045 175.1901 12 S 5.3163 8.6857 121.3341 56.7384 66.1763 173.2627 13 L 4.7371 8.8667 124.0669 53.4052 45.4636 174.5458 14 A 5.1523 8.7399 127.5225 50.1543 21.2498 175.0256 15 L 4.5868 8.7618 123.5976 53.1654 42.5787 177.5607 16 K 4.1215 8.9240 123.6996 59.1223 32.6653 176.5428 17 D 4.5883 7.4752 116.8609 51.3904 42.9517 176.2339 18 K 4.0251 8.4838 118.1824 59.0871 31.9909 177.5162 19 P 4.3110 0.0000 0.0000 65.7449 31.4033 178.3272 20 A 4.0875 8.6882 119.6241 55.1382 18.2892 179.4900 21 L 3.9769 7.9982 118.8584 58.4581 41.9841 178.4199 22 Y 4.1229 8.6900 119.3552 61.0497 38.7800 178.1457 23 S 4.3307 8.3245 114.8549 61.2930 63.1954 176.0703 24 A 4.3769 8.0713 123.2329 56.2804 18.5594 177.5981 25 Y 4.2864 8.0577 117.7220 56.6816 40.0307 172.7894 *27 P 3.7081 0.0000 0.0000 62.4909 33.0616 177.8866 28 F 4.2070 7.1622 111.9986 58.0015 38.4335 175.5672 29 V 3.8149 6.3679 123.0581 61.7450 31.9358 175.0413 30 K 4.0450 8.5157 128.1834 58.1320 32.2614 176.9422 31 G 3.9148 8.8408 114.8465 44.5780 0.0000 174.0521 32 G 4.1408 9.9671 105.4297 46.0723 0.0000 172.5108 33 G 3.6052 7.3443 105.2883 45.3706 0.0000 171.9146 34 I 4.8113 7.9832 118.5556 59.5314 41.8743 173.1040 35 F 4.7497 9.1551 131.4737 57.4382 40.4677 174.9066 36 V 3.9922 7.4575 125.8906 59.9673 33.9092 172.9016 37 P 4.5445 0.0000 0.0000 63.2132 31.4470 175.8690 38 T 4.3385 8.6367 115.8636 61.1987 71.1093 171.7468 39 P 4.6754 0.0000 0.0000 62.9806 32.2975 176.3697 40 K 4.1093 7.8915 119.3060 56.5825 32.4270 177.9302 41 R 4.2454 7.5118 121.6094 55.7383 28.6990 176.7806 42 Y 4.2617 7.6441 121.1194 56.5779 40.3619 174.4978 *44 L 4.0177 8.2940 120.1201 56.8721 42.7547 177.1253 45 G 4.0476 9.2420 112.3556 45.3114 0.0000 173.6935 46 D 4.5642 7.7302 119.3561 54.3383 41.9870 175.9252 47 E 4.7531 8.6613 121.5114 56.4989 30.7407 176.7202 48 V 4.2203 8.6442 121.6660 60.1402 35.3141 174.4403 49 F 5.2976 8.6668 123.5735 56.6146 39.6829 173.8948 50 L 5.0353 8.8272 126.8602 53.2827 44.4256 175.1465 51 L 4.9875 9.1578 126.2081 53.1237 44.1933 174.8930 52 L 5.0479 8.7643 127.3405 53.5651 44.3876 175.0169 53 T 4.7442 8.8571 123.6732 62.0705 70.3869 174.0492 54 L 4.9239 8.3248 126.3376 52.4536 43.7010 176.1462 55 P 4.3279 0.0000 0.0000 65.3754 31.3101 176.9786 56 D 4.6047 7.9343 116.5670 54.1257 40.1260 175.9811 57 S 4.6313 7.4924 113.9212 56.8418 65.4799 174.1449 58 S 4.2567 8.5479 120.1852 60.1753 63.3088 174.2775 59 E 4.0201 7.6889 122.8085 56.1230 29.8501 175.6947 60 R 4.5747 8.3758 124.9456 55.1150 31.7234 175.6786 61 L 4.5246 9.1157 125.1880 52.7988 43.0081 174.0927 62 P 5.0872 0.0000 0.0000 62.2072 32.7936 176.0569 63 V 4.4051 8.8086 121.8912 60.1578 35.1130 174.2529 64 A 4.9711 8.8205 126.5668 51.1953 18.7098 176.8378 65 G 4.1015 8.9159 109.9663 45.7503 0.0000 170.1145 66 K 5.0950 8.5346 119.9341 54.1866 35.7577 175.5579 67 V 4.1926 8.8266 128.2224 63.0889 31.8338 175.9859 68 I 4.7275 8.3558 121.7729 60.7426 39.3997 174.8905 69 W 5.0168 7.1021 118.8830 56.2585 31.1063 172.9769 70 T 5.4470 8.9829 109.7172 60.2605 71.4223 173.3464 71 T 5.0095 9.2141 113.5528 59.4166 72.3216 172.1542 72 P 4.8131 0.0000 0.0000 61.6352 32.7109 175.4784 73 A 3.9124 8.2379 121.3381 51.9705 18.7975 176.9398 *80 A 4.1728 8.2073 123.7025 51.3317 19.9747 176.4214 81 A 4.4302 8.4813 122.0497 53.0475 19.4090 177.8578 82 G 3.8932 8.8180 106.5090 47.1925 0.0000 172.1300 83 I 4.8749 7.3377 112.4449 59.0059 41.6826 174.4520 84 G 2.7966 7.2219 111.5248 44.6627 0.0000 172.6350 85 V 4.6607 8.1832 125.2592 60.9139 34.1558 174.0293 86 Q 4.3892 8.9643 130.1003 55.0482 30.3231 175.0298 87 F 5.2629 8.4098 125.9061 56.4032 40.0724 173.9329 88 P 4.4649 0.0000 0.0000 62.6521 31.8389 177.0194 89 D 4.3663 8.7900 119.7894 57.0314 42.0722 176.7094 90 G 4.0992 7.6912 108.7266 44.3163 0.0000 171.8923 91 P 4.3038 0.0000 0.0000 65.3542 30.4052 178.2502 92 E 4.0320 8.2257 116.5578 59.4195 29.4703 179.4050 93 G 4.1420 7.9339 107.5358 46.7446 0.0000 175.1165 94 E 3.9468 8.1452 121.2433 58.9206 29.5807 178.5869 95 A 4.0699 7.6998 121.0413 55.2577 18.4229 180.0119 96 V 3.3211 6.9296 114.1386 64.7761 31.2773 178.3793 97 R 3.9076 7.8225 119.5638 59.2085 29.9214 178.1542 98 N 4.3090 8.8483 117.1299 56.2329 38.5885 177.5155 99 K 3.8831 8.0870 119.7890 59.4725 32.1012 179.3667 100 I 3.5162 7.6386 119.9182 64.5353 37.0119 178.4453 101 E 3.9382 8.3339 119.5992 59.5376 28.9819 179.5967 102 T 3.8822 7.8496 115.2869 66.6720 68.7400 176.4054 103 L 4.1373 7.8297 120.7333 57.6727 41.4244 179.3454 104 L 4.2811 8.0582 117.5380 56.9179 41.7211 178.7820 105 A 4.2433 8.1081 120.6959 54.3427 18.3258 177.5137 106 G 3.7007 7.6005 108.8599 45.7550 0.0000 173.4333 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 Q 8.33 4.01 0.00 1.28 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.57 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 9 G 7.82 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 I 8.28 4.11 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 0.96 0.00 0.00 11 L 9.28 4.79 0.00 1.64 1.39 0.88 0.33 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 12 S 8.69 5.32 0.00 3.75 3.71 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 13 L 8.87 4.74 0.00 1.65 1.41 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.74 5.15 1.20 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 0.00 0.00 0.00 0.00 0.00 15 L 8.76 4.59 0.00 1.52 1.64 0.97 0.94 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 16 K 8.92 4.12 0.00 1.77 1.89 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.39 7.81 17 D 7.48 4.59 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 18 K 8.48 4.03 0.00 1.85 1.95 0.00 1.70 0.00 0.00 2.03 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.55 7.81 19 P 0.00 4.31 0.00 2.32 2.15 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 20 A 8.69 4.09 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.00 3.98 0.00 1.83 1.91 0.93 0.85 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 22 Y 8.69 4.12 0.00 3.04 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 23 S 8.32 4.33 0.00 4.17 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 24 A 8.07 4.38 1.51 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 25 Y 8.06 4.29 0.00 2.93 2.89 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 *27 P 0.00 3.71 0.00 2.18 2.18 0.00 3.34 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 1.87 1.83 0.00 28 F 7.16 4.21 0.00 3.11 3.20 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 0.00 0.00 0.00 29 V 6.37 3.81 1.70 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 0.94 0.00 0.00 0.63 0.00 0.00 30 K 8.52 4.04 0.00 1.78 1.74 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 31 G 8.84 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 32 G 9.97 4.14 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 0.00 0.00 0.00 33 G 7.34 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 34 I 7.98 4.81 2.06 0.00 0.00 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 1.17 1.64 0.99 0.00 0.00 35 F 9.16 4.75 0.00 3.22 3.06 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 36 V 7.46 3.99 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 0.78 0.00 0.00 0.72 0.00 0.00 37 P 0.00 4.54 0.00 1.95 2.03 0.00 3.60 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 38 T 8.64 4.34 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 1.21 0.00 0.00 39 P 0.00 4.68 0.00 2.23 2.17 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 40 K 7.89 4.11 0.00 1.90 1.42 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.41 1.42 7.81 41 R 7.51 4.25 0.00 1.82 1.84 0.00 3.13 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 42 Y 7.64 4.26 0.00 2.90 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 *44 L 8.29 4.02 0.00 1.69 1.69 0.98 1.00 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 45 G 9.24 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.73 4.56 0.00 2.66 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 47 E 8.66 4.75 0.00 1.79 1.82 0.00 0.00 0.00 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 2.35 0.00 48 V 8.64 4.22 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 0.69 0.00 0.00 0.55 0.00 0.00 49 F 8.67 5.30 0.00 2.98 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 50 L 8.83 5.04 0.00 1.75 1.68 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 L 9.16 4.99 0.00 1.55 1.55 0.92 0.33 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 52 L 8.76 5.05 0.00 1.73 1.59 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.86 4.74 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 54 L 8.32 4.92 0.00 1.67 1.54 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.33 0.00 2.18 2.26 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 56 D 7.93 4.60 0.00 2.79 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 57 S 7.49 4.63 0.00 3.73 3.69 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 58 S 8.55 4.26 0.00 4.01 3.97 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 0.00 0.00 0.00 59 E 7.69 4.02 0.00 1.91 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 2.29 2.40 0.00 60 R 8.38 4.57 0.00 1.71 1.82 0.00 3.24 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 61 L 9.12 4.52 0.00 1.64 1.49 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.09 0.00 1.99 1.98 0.00 3.65 0.00 0.00 3.84 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 63 V 8.81 4.41 1.90 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 0.72 0.00 0.00 0.84 0.00 0.00 64 A 8.82 4.97 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 65 G 8.92 4.10 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 0.00 0.00 0.00 66 K 8.53 5.10 0.00 1.83 1.60 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 67 V 8.83 4.19 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 0.76 0.00 0.00 0.89 0.00 0.00 68 I 8.36 4.73 2.00 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 1.16 0.76 0.92 0.00 0.00 69 W 7.10 5.02 0.00 3.48 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 70 T 8.98 5.45 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 1.29 0.00 0.00 71 T 9.21 5.01 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 1.59 0.00 0.00 72 P 0.00 4.81 0.00 2.25 2.17 0.00 3.84 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 2.02 2.00 0.00 73 A 8.24 3.91 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 *80 A 8.21 4.17 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 81 A 8.48 4.43 1.35 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 82 G 8.82 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 0.00 0.00 0.00 83 I 7.34 4.87 1.59 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.64 0.87 0.00 0.00 84 G 7.22 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 0.00 0.00 0.00 85 V 8.18 4.66 1.90 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 0.89 0.00 0.00 0.62 0.00 0.00 86 Q 8.96 4.39 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 87 F 8.41 5.26 0.00 3.20 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 88 P 0.00 4.46 0.00 2.25 2.23 0.00 3.83 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 89 D 8.79 4.37 0.00 2.69 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 G 7.69 4.10 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 0.00 0.00 0.00 91 P 0.00 4.30 0.00 2.16 2.10 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 92 E 8.23 4.03 0.00 2.15 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 0.00 2.36 2.37 0.00 93 G 7.93 4.14 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 0.00 0.00 0.00 94 E 8.15 3.95 0.00 2.25 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 2.31 2.36 0.00 95 A 7.70 4.07 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 96 V 6.93 3.32 1.69 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 -0.11 0.00 0.00 0.34 0.00 0.00 97 R 7.82 3.91 0.00 2.12 2.19 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 98 N 8.85 4.31 0.00 2.82 2.83 0.00 0.00 7.10 5.12 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 99 K 8.09 3.88 0.00 1.88 1.78 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.54 7.81 100 I 7.64 3.52 1.60 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 -0.03 0.00 0.00 101 E 8.33 3.94 0.00 2.03 2.03 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 2.34 2.59 0.00 102 T 7.85 3.88 4.42 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 0.00 0.00 0.00 1.20 0.00 0.00 103 L 7.83 4.14 0.00 1.85 1.70 0.95 0.60 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 0.00 104 L 8.06 4.28 0.00 1.69 1.89 1.01 0.93 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 0.00 105 A 8.11 4.24 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 0.00 106 G 7.60 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 * Residues marked with a * may have inaccurate shift predictions.