NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.8113 8.1233 122.4907 52.4110 20.3727 175.8287 12 S 4.9948 8.5680 115.9287 57.4745 66.2819 172.3054 13 L 5.1925 9.1303 124.2779 53.0976 45.3639 174.3642 14 Y 4.8819 9.4668 125.2910 56.1971 41.0639 174.8770 15 V 4.2791 8.0507 125.8039 60.1282 33.9589 174.8992 16 G 4.0885 8.4225 115.6444 44.0002 0.0000 170.6784 17 D 4.5915 8.4186 115.6355 55.3583 37.7989 174.1685 18 L 4.5203 7.6750 118.2142 53.1454 43.3052 176.9329 19 H 4.1851 8.7240 122.7288 55.8364 30.2086 173.7827 20 P 4.5248 0.0000 0.0000 64.1099 31.0990 176.2978 21 D 4.9000 7.8406 116.9635 54.0054 41.9803 175.8222 22 V 3.7710 7.6039 120.5706 62.8493 32.1088 176.1842 23 T 4.5985 8.0812 116.7707 60.1255 72.3605 175.5291 24 E 3.9520 8.5453 120.3572 59.0767 29.4305 179.3214 25 A 4.1361 8.0106 120.6711 55.6819 18.6087 179.4548 26 M 4.0642 8.1361 117.0421 58.5296 31.9449 179.0867 27 L 4.0941 8.2657 119.5255 57.7459 41.7195 178.8588 28 Y 4.0747 8.7996 120.5090 60.9588 38.5917 178.1597 29 E 3.7866 8.0922 117.8999 58.9321 29.5085 179.2420 30 K 3.8200 7.5058 118.8085 59.3982 32.7784 178.5025 31 F 4.5582 8.0918 116.7334 58.6854 39.0243 177.6544 32 S 3.7971 8.3875 114.0544 60.9676 61.6506 174.4524 33 P 4.1742 0.0000 0.0000 65.4034 31.2345 177.4402 34 A 4.0598 8.0516 119.7157 53.2013 18.4075 177.0035 35 G 4.5051 7.3574 104.4166 42.6233 0.0000 170.9716 36 P 4.2788 0.0000 0.0000 63.5379 31.3551 175.1059 37 I 4.2365 8.1821 123.1997 60.1444 38.2118 175.4514 38 L 4.2848 8.9408 130.4794 57.2104 42.2320 176.6221 39 S 4.6820 7.4578 110.7114 57.6390 66.2670 172.8569 40 I 5.0705 8.1310 120.3929 59.6859 40.8042 175.0750 41 R 4.6265 9.2479 126.9154 54.8841 33.4365 173.5715 42 V 4.3369 8.3862 126.9184 61.6977 32.6790 175.2180 43 C 4.3270 8.0465 126.0172 59.7533 28.9467 173.0694 44 R 5.1436 8.2636 121.2187 53.8555 34.0297 174.6848 45 D 4.1315 8.8092 120.7787 54.6710 42.0177 175.6480 46 M 3.9735 9.0243 121.4844 58.8920 32.6825 177.3303 47 I 4.0354 7.5036 115.0908 63.1642 38.9446 177.4371 48 T 4.0069 8.0130 111.4507 62.1587 69.0551 176.8248 49 R 4.1146 7.7978 117.9919 55.7276 29.1396 176.2210 50 R 3.8887 7.4004 119.1650 56.7834 30.9322 175.5757 51 S 4.3110 8.7618 120.5244 59.1201 62.7018 173.7293 52 L 4.3134 9.2576 126.5396 54.9147 41.9165 178.0333 53 G 4.0050 9.7298 109.0731 45.2861 0.0000 172.3101 54 Y 5.1217 7.1255 116.2130 55.7394 42.1126 173.2167 55 A 4.8083 8.3836 120.2206 50.8956 23.7184 174.3942 56 Y 5.0636 8.8712 116.6792 56.2251 41.0393 175.4233 57 V 4.4883 8.6563 124.0076 61.0722 34.3326 173.7007 58 N 5.4066 9.1509 125.9331 51.6083 41.0872 174.1871 59 F 4.8149 8.7258 121.7554 56.1831 40.9495 177.1401 60 Q 4.1782 9.1253 120.5142 58.2759 29.3824 177.0136 61 Q 4.7250 7.8633 115.1023 52.5984 32.4104 174.4211 62 P 4.3730 0.0000 0.0000 66.2353 31.3112 178.3860 63 A 4.0194 8.2160 120.4638 55.2339 18.0819 179.2521 64 D 4.0514 7.9991 116.2867 57.2541 40.7959 178.6487 65 A 3.3077 7.5404 120.7732 54.6131 18.4649 178.9845 66 E 3.8797 8.4394 117.9544 58.3574 29.5653 178.7702 67 R 3.7628 7.6415 118.2338 59.4537 30.4840 178.0775 68 A 4.0907 7.7682 120.5554 54.9454 18.1003 179.3617 69 L 3.7237 7.2876 118.3717 57.0565 42.4413 177.5662 70 D 4.8911 7.3464 117.1983 53.6414 42.1147 175.9119 71 T 4.5575 7.4669 114.5155 64.0852 76.2679 174.4604 72 M 5.3602 8.1865 118.4565 53.6339 33.6456 175.1227 73 N 4.0782 7.7225 118.0754 54.9575 39.6505 172.8215 74 F 4.8037 8.4987 126.5135 57.6951 38.4916 175.4977 75 D 4.4859 7.3641 118.1177 53.2752 39.4910 176.4562 76 V 4.2000 8.0161 120.2192 63.4559 32.4213 175.6669 77 I 4.2258 8.6648 123.9048 61.8055 41.4546 175.8732 78 K 3.8702 9.7115 127.0924 57.4229 29.3400 175.2526 79 G 4.0537 8.3161 107.5990 44.7680 0.0000 173.0470 80 K 4.7679 7.9554 118.2355 53.9173 36.0050 173.5921 81 P 4.9716 0.0000 0.0000 61.9992 32.7678 176.1780 82 V 4.0531 8.0852 117.0785 60.9881 33.3738 175.4483 83 R 4.2092 9.1467 126.5240 55.0622 30.6884 174.5536 84 I 4.8690 8.5574 128.2235 60.4309 38.4254 175.4003 85 M 4.6673 9.4203 123.0060 53.3483 35.0729 174.0441 86 W 4.7219 8.6361 120.1329 57.1077 29.7712 176.0588 87 S 4.3135 8.8777 120.3058 59.0927 62.4878 173.9027 88 Q 4.3314 8.5375 127.8585 54.9520 29.9877 174.2050 89 R 4.0868 8.5364 125.1988 58.0317 30.6445 176.7007 90 D 4.5306 7.9132 118.3019 53.0034 41.5457 174.6875 91 P 4.3988 0.0000 0.0000 64.6947 31.4808 178.6567 92 S 3.9715 7.8749 114.4057 61.3938 63.0871 176.2200 93 L 4.1274 7.6777 124.8351 57.3303 41.6271 178.6397 94 R 3.8256 7.9807 117.4516 59.3386 29.6362 178.7813 95 K 4.0725 8.2022 119.1921 58.5768 31.9130 178.0005 96 S 4.7135 8.8420 113.8741 60.0131 64.4139 176.6798 97 G 3.2443 7.6749 109.6398 47.4776 0.0000 178.6161 98 V 3.5891 8.5380 115.3484 64.2430 32.0588 179.1335 99 G 4.2673 8.0340 105.5090 46.4568 0.0000 171.9062 100 N 5.1174 8.3336 121.0470 51.9436 39.5135 173.0065 101 I 4.8835 8.3336 118.1789 62.2039 38.9783 176.7262 *112 N 4.3551 8.2248 120.2708 51.5404 40.6100 176.4315 113 K 3.3156 7.1804 120.6375 58.9708 32.6301 178.1930 114 A 4.5033 7.6849 119.1736 53.6564 20.0151 178.1688 115 L 3.9735 7.8635 117.2073 59.4059 42.0391 177.5286 116 Y 4.3287 8.8226 120.4960 59.2255 38.6529 177.3239 117 D 4.5002 8.1661 120.6463 57.7830 41.2492 179.0358 118 T 4.0400 7.7241 111.4463 63.6671 67.5861 174.5034 119 F 4.7649 9.2399 118.4242 57.2044 41.1870 176.9248 120 S 3.8683 7.5658 116.8612 61.5312 62.4469 175.6544 121 A 3.9602 7.9060 121.8727 55.0337 18.4698 179.3743 122 F 3.7798 8.6472 116.8135 59.2456 40.2488 176.3005 123 G 3.8276 6.9671 108.6908 44.5518 0.0000 172.8783 124 N 4.8682 8.9239 123.4541 52.4248 39.8248 174.1009 125 I 4.9975 8.4769 119.0121 59.0802 39.8369 175.7520 126 L 4.1881 8.5459 124.3256 57.7265 42.0646 177.1809 127 S 4.6864 7.5687 109.4625 57.8998 65.6610 174.8631 128 C 5.0514 8.4782 118.9446 57.7523 32.1341 172.9274 129 K 4.8418 8.8973 124.0723 54.5563 35.8979 174.9566 130 V 4.5810 8.3541 126.4342 60.5216 31.8834 174.9344 131 V 3.4732 7.3899 125.7651 62.1024 31.3758 175.8839 132 C 4.5535 8.0537 119.8245 58.5596 32.1324 173.8780 *137 S 4.0453 8.6112 116.4551 58.7013 63.2107 174.4465 138 K 4.1825 8.9444 116.1479 55.6578 28.7034 179.0491 139 G 4.1895 8.6298 118.1527 45.6789 0.0000 176.8622 140 Y 4.5102 7.5845 117.6457 56.3998 41.0124 174.2473 141 G 3.9723 7.4566 104.9362 46.4346 0.0000 172.0940 142 F 5.2546 8.9523 118.7776 55.7552 44.0164 175.0946 143 V 4.2862 7.7415 114.2158 61.4726 34.3952 171.9642 144 H 5.1021 9.2534 126.9488 54.6758 31.3666 173.8452 145 F 5.4848 9.0611 124.0385 55.8298 41.4128 175.7170 146 E 4.1044 9.0418 121.9623 59.3309 29.8042 177.4081 147 T 4.6002 7.6455 114.7993 61.6616 70.1757 175.5011 148 Q 3.9726 8.8196 127.9918 58.8498 29.2227 176.9132 149 E 4.0641 7.6221 114.1004 55.5818 29.2897 182.1494 *168 V 3.9635 8.1010 117.7755 60.2476 32.6978 174.9786 169 F 5.0280 8.7808 126.7790 56.4183 40.9549 174.6848 170 V 3.9706 8.4689 125.6519 60.2522 34.8602 174.8008 171 G 4.0312 8.4399 110.3273 43.9073 0.0000 171.4225 172 R 4.0161 7.5933 120.6860 54.7914 31.7533 175.6599 173 F 4.5646 8.6844 121.9775 58.3610 39.4228 175.3321 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 A 8.12 4.81 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 12 S 8.57 4.99 0.00 3.99 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 13 L 9.13 5.19 0.00 1.48 1.31 0.76 -0.39 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 14 Y 9.47 4.88 0.00 3.01 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 15 V 8.05 4.28 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 0.52 0.00 0.00 0.96 0.00 0.00 16 G 8.42 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 0.00 0.00 0.00 17 D 8.42 4.59 0.00 3.01 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 18 L 7.68 4.52 0.00 1.73 1.57 0.95 1.00 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 19 H 8.72 4.19 0.00 3.15 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.52 0.00 2.14 2.06 0.00 2.77 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 1.67 1.81 0.00 21 D 7.84 4.90 0.00 2.77 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 22 V 7.60 3.77 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 0.96 0.00 0.00 23 T 8.08 4.60 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 24 E 8.55 3.95 0.00 2.02 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 2.43 2.35 0.00 25 A 8.01 4.14 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 26 M 8.14 4.06 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 27 L 8.27 4.09 0.00 1.99 1.88 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.80 4.07 0.00 3.09 3.21 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 29 E 8.09 3.79 0.00 2.12 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 2.44 2.67 0.00 30 K 7.51 3.82 0.00 1.62 1.57 0.00 1.41 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.79 0.52 7.81 31 F 8.09 4.56 0.00 3.05 3.25 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 0.00 32 S 8.39 3.80 0.00 2.72 3.41 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 0.00 33 P 0.00 4.17 0.00 2.04 2.06 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 34 A 8.05 4.06 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 35 G 7.36 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 36 P 0.00 4.28 0.00 2.52 2.30 0.00 3.78 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 2.18 2.08 0.00 37 I 8.18 4.24 1.97 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.63 0.88 0.00 0.00 38 L 8.94 4.28 0.00 1.62 1.73 0.94 0.78 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 39 S 7.46 4.68 0.00 3.86 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 40 I 8.13 5.07 1.89 0.00 0.00 0.79 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 1.06 0.93 0.00 0.00 41 R 9.25 4.63 0.00 1.80 1.79 0.00 3.22 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 42 V 8.39 4.34 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 0.69 0.00 0.00 0.87 0.00 0.00 43 C 8.05 4.33 0.00 2.08 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 44 R 8.26 5.14 0.00 1.60 1.80 0.00 3.41 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 45 D 8.81 4.13 0.00 2.81 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 46 M 9.02 3.97 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 47 I 7.50 4.04 1.87 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 1.47 0.99 0.91 0.00 0.00 48 T 8.01 4.01 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 49 R 7.80 4.11 0.00 2.00 2.14 0.00 3.35 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 50 R 7.40 3.89 0.00 1.83 1.83 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 51 S 8.76 4.31 0.00 3.88 3.74 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 52 L 9.26 4.31 0.00 1.57 1.90 1.06 0.37 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 53 G 9.73 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 54 Y 7.13 5.12 0.00 2.48 2.84 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 0.00 0.00 0.00 55 A 8.38 4.81 1.08 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 0.00 0.00 56 Y 8.87 5.06 0.00 2.84 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 57 V 8.66 4.49 1.54 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 0.43 0.00 0.00 0.47 0.00 0.00 58 N 9.15 5.41 0.00 2.65 2.70 0.00 0.00 6.50 8.08 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 59 F 8.73 4.81 0.00 3.17 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 60 Q 9.13 4.18 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 61 Q 7.86 4.72 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 62 P 0.00 4.37 0.00 2.32 2.36 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 63 A 8.22 4.02 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 64 D 8.00 4.05 0.00 2.58 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 0.00 0.00 0.00 0.00 65 A 7.54 3.31 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 3.88 0.00 2.40 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 2.35 2.47 0.00 67 R 7.64 3.76 0.00 1.83 1.94 0.00 3.29 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 68 A 7.77 4.09 1.42 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 0.00 0.00 0.00 69 L 7.29 3.72 0.00 1.38 1.52 0.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.35 4.89 0.00 2.78 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 71 T 7.47 4.56 4.40 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 1.18 0.00 0.00 72 M 8.19 5.36 0.00 1.81 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 73 N 7.72 4.08 0.00 2.51 2.20 0.00 0.00 7.27 7.02 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 74 F 8.50 4.80 0.00 3.26 3.25 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 0.00 75 D 7.36 4.49 0.00 2.99 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 76 V 8.02 4.20 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 0.80 0.00 0.00 0.93 0.00 0.00 77 I 8.66 4.23 1.85 0.00 0.00 0.79 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 0.18 0.89 0.00 0.00 78 K 9.71 3.87 0.00 1.77 1.73 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.38 7.81 79 G 8.32 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 80 K 7.96 4.77 0.00 1.75 1.79 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.44 7.81 81 P 0.00 4.97 0.00 2.03 2.26 0.00 3.70 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 2.02 2.13 0.00 82 V 8.09 4.05 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 0.83 0.00 0.00 0.99 0.00 0.00 83 R 9.15 4.21 0.00 2.04 1.89 0.00 3.08 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 84 I 8.56 4.87 1.75 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.72 0.00 0.00 85 M 9.42 4.67 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.71 0.00 86 W 8.64 4.72 0.00 3.23 3.14 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 87 S 8.88 4.31 0.00 4.24 4.03 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 88 Q 8.54 4.33 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.56 0.00 89 R 8.54 4.09 0.00 1.88 2.03 0.00 3.22 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 90 D 7.91 4.53 0.00 2.61 2.56 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 91 P 0.00 4.40 0.00 2.25 2.21 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 92 S 7.87 3.97 0.00 4.07 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 93 L 7.68 4.13 0.00 1.70 1.61 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.98 3.83 0.00 1.89 1.85 0.00 2.96 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 95 K 8.20 4.07 0.00 1.72 2.03 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 96 S 8.84 4.71 0.00 4.09 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 97 G 7.67 3.24 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 98 V 8.54 3.59 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 0.77 0.00 0.00 1.00 0.00 0.00 99 G 8.03 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 0.00 0.00 0.00 0.00 100 N 8.33 5.12 0.00 1.94 2.44 0.00 0.00 6.86 7.65 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 0.00 101 I 8.33 4.88 1.88 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.29 1.04 0.00 0.00 *112 N 8.22 4.36 0.00 2.32 1.61 0.00 0.00 6.97 7.68 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 0.00 113 K 7.18 3.32 0.00 1.62 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.16 1.28 7.81 114 A 7.68 4.50 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 0.00 115 L 7.86 3.97 0.00 1.58 1.83 0.63 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.82 4.33 0.00 3.26 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 0.00 117 D 8.17 4.50 0.00 2.78 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 0.00 118 T 7.72 4.04 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 1.56 0.00 0.00 119 F 9.24 4.76 0.00 2.94 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 0.00 120 S 7.57 3.87 0.00 3.93 3.82 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 0.00 0.00 0.00 121 A 7.91 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 0.00 122 F 8.65 3.78 0.00 2.91 2.68 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 0.00 123 G 6.97 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 0.00 124 N 8.92 4.87 0.00 2.94 2.84 0.00 0.00 6.51 7.40 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 0.00 125 I 8.48 5.00 1.84 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.99 1.22 0.00 0.00 126 L 8.55 4.19 0.00 1.59 1.70 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.57 4.69 0.00 3.75 3.53 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 0.00 0.00 0.00 0.00 128 C 8.48 5.05 0.00 3.08 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 0.00 129 K 8.90 4.84 0.00 1.85 1.73 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.45 7.81 130 V 8.35 4.58 2.02 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 0.83 0.00 0.00 0.94 0.00 0.00 131 V 7.39 3.47 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 -0.56 0.00 0.00 0.76 0.00 0.00 132 C 8.05 4.55 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 S 8.61 4.05 0.00 3.86 3.85 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 0.00 0.00 0.00 0.00 138 K 8.94 4.18 0.00 1.89 1.92 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.00 7.81 139 G 8.63 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 0.00 0.00 0.00 0.00 140 Y 7.58 4.51 0.00 2.95 2.97 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 0.00 141 G 7.46 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 0.00 0.00 0.00 142 F 8.95 5.25 0.00 2.77 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 0.00 143 V 7.74 4.29 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 144 H 9.25 5.10 0.00 3.04 3.04 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.06 5.48 0.00 3.11 2.90 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 0.00 146 E 9.04 4.10 0.00 2.04 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 2.37 2.32 0.00 147 T 7.65 4.60 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 1.23 0.00 0.00 148 Q 8.82 3.97 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 149 E 7.62 4.06 0.00 1.99 1.76 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 2.26 2.15 0.00 *168 V 8.10 3.96 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 0.87 0.00 0.00 0.97 0.00 0.00 169 F 8.78 5.03 0.00 2.92 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 0.00 170 V 8.47 3.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 171 G 8.44 4.03 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 0.00 0.00 0.00 172 R 7.59 4.02 0.00 1.86 1.94 0.00 3.29 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 173 F 8.68 4.56 0.00 3.25 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 * Residues marked with a * may have inaccurate shift predictions.