NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.8052 8.3501 109.7322 45.0064 0.0000 172.8045 10 A 4.0415 7.1851 120.6161 49.0882 21.4708 172.6506 11 P 4.6821 0.0000 0.0000 62.9216 34.0491 173.6750 12 V 4.5660 7.9658 111.8114 59.5050 36.5474 172.2944 13 P 4.7353 0.0000 0.0000 62.7159 32.3755 175.7060 14 V 4.2786 8.1627 120.3734 61.1479 33.1386 174.7798 15 D 4.7565 8.3850 125.7988 52.4725 40.6481 175.9411 16 E 4.4151 8.6401 122.7371 56.6805 29.7946 176.4162 17 N 4.6248 7.6462 116.1084 53.4520 39.5195 175.0393 18 D 4.5262 7.9467 118.2190 53.6806 41.7174 175.8596 19 E 4.4021 8.8025 125.9214 56.9070 29.7490 177.7380 20 G 3.7094 8.1142 104.4631 47.6801 0.0000 175.1226 21 L 4.0319 7.8223 121.5955 56.8983 42.0354 177.7766 22 Q 4.0353 7.6147 118.5651 58.4449 29.1517 177.6529 23 R 4.0715 7.6575 119.4299 59.6414 30.4750 177.8974 24 A 4.1866 8.0162 119.7407 54.7817 18.0224 179.1837 25 L 3.9687 7.8213 118.8295 58.3442 41.8663 178.6908 26 Q 4.1462 8.2588 117.3310 57.9281 28.5055 178.5414 27 F 3.9494 7.9946 121.9540 61.2328 39.5557 177.0838 28 A 4.7033 8.0271 121.2782 55.0402 18.0164 179.3311 29 M 4.1884 7.8574 115.9687 57.8974 32.1679 178.5831 30 A 4.9458 7.7674 122.5350 54.4665 19.0410 179.0846 31 E 3.9158 8.2476 116.1109 60.1721 28.8328 178.8790 32 Y 4.2970 8.1686 120.4182 60.3230 38.7727 177.2586 33 N 4.2415 8.3703 118.2910 55.7118 37.0564 176.5206 34 R 4.0781 7.8171 117.8302 57.2395 30.5907 177.2525 35 A 4.2360 7.4283 119.6201 54.4167 18.8445 178.5750 36 S 4.1871 7.5552 110.2876 57.5833 63.6545 177.8118 37 N 3.6091 8.5414 118.4135 54.7314 40.3648 177.0367 38 D 4.7799 8.4453 119.8640 53.2697 40.0158 177.0112 39 K 4.4681 8.0846 117.8251 56.4951 32.9070 175.9041 40 Y 5.1325 8.3684 111.2956 58.6428 42.5008 173.2683 41 S 4.7941 8.9930 115.7107 57.6363 62.5446 169.0134 42 S 5.3580 7.2992 115.4359 56.6800 66.3461 173.4583 43 R 4.9983 8.9401 115.5881 56.1618 32.6449 174.7011 44 V 3.8704 8.7372 122.0656 61.8344 32.4143 173.7900 45 V 4.3531 8.1673 115.9535 63.2739 34.4514 176.8052 46 R 4.7874 7.2603 115.5084 55.1159 35.5115 173.4406 47 V 4.2470 8.1749 118.9643 60.8932 32.7506 175.9708 48 I 4.1271 8.0908 122.5901 62.0281 38.6565 175.4055 49 S 4.6673 7.4586 114.8669 58.6937 65.7455 175.6244 50 A 4.7894 8.1502 121.5508 50.9235 21.7258 176.0235 51 K 4.7380 9.0575 121.9756 54.3823 36.5526 175.4256 52 R 5.2482 8.6395 119.9085 53.9195 32.2026 174.9638 53 Q 4.9455 8.1416 122.4580 54.0264 32.8638 173.2462 54 L 5.0201 7.9889 119.7323 53.6721 42.9709 178.1963 55 V 4.4465 8.2283 113.5940 60.2612 34.1188 172.4136 56 S 5.0658 8.8126 122.8030 57.7495 62.3866 167.8496 57 G 3.8043 7.6366 108.7567 45.4562 0.0000 171.0224 58 I 4.8222 8.2271 122.4811 59.4884 40.6489 174.8636 59 K 4.8039 8.1971 123.6862 54.8880 36.2631 174.8103 60 Y 4.8703 8.9150 123.3118 56.2104 40.9105 174.8546 61 I 4.9160 8.6907 120.5932 59.6142 39.0070 174.9252 62 L 5.0682 8.8732 127.8012 53.9122 43.9749 175.7464 63 Q 4.7127 8.2063 119.2712 54.3400 30.5008 175.2877 64 V 4.1111 8.2887 117.9123 60.1245 34.3824 175.1723 65 E 4.8336 8.4642 124.5944 54.4908 30.7339 174.3089 66 I 4.6599 8.7336 120.4620 59.3924 40.5860 175.0534 67 G 5.1068 9.2242 110.4114 45.1854 0.0000 171.4519 68 R 5.4850 8.5140 118.4249 54.7779 33.0785 175.2374 69 T 4.4848 7.6404 113.6262 62.5259 70.7868 172.3404 70 T 4.6290 8.3897 111.3136 61.7961 69.3648 173.8886 71 C 5.3238 7.9688 118.0147 55.3817 43.8813 172.0593 72 P 4.6363 0.0000 0.0000 61.6132 30.4702 178.1324 73 K 3.6683 7.7318 130.3780 57.8996 30.3929 176.2036 74 S 4.1569 8.3096 121.0289 61.4225 62.9811 177.5529 75 S 4.5789 7.9694 121.8548 58.6495 66.1708 174.3651 76 G 3.9155 6.4808 106.0533 46.8356 0.0000 169.4321 77 D 5.0032 8.2715 122.0297 53.0533 42.0316 175.6012 78 L 3.5675 8.3902 118.2527 56.1185 42.8569 173.7145 79 Q 4.3333 8.4832 116.3619 56.2399 29.3407 181.7505 80 S 3.1527 10.5261 117.4408 57.3531 65.8860 171.9458 81 C 4.1413 5.8221 119.6167 54.9781 39.0413 172.6757 82 E 5.5557 7.1307 124.4456 56.2127 33.0079 177.1438 83 F 4.8996 8.4103 117.8995 57.5975 38.8703 174.8400 84 H 3.9731 8.6118 123.1532 56.3457 28.0185 174.7684 85 D 4.8761 8.7015 126.0345 53.7245 39.5877 176.2771 86 E 4.9769 8.2738 105.9600 54.2799 29.6845 174.7451 87 P 4.5815 0.0000 0.0000 62.4828 31.6344 178.3689 88 E 4.2578 8.4848 117.8393 59.2651 30.1636 177.7551 89 M 4.9674 7.5302 114.9939 53.7564 31.4089 174.0169 90 A 4.2090 8.6229 118.9631 52.9672 22.9749 176.4921 91 K 3.5676 8.3843 119.3895 56.8157 29.6138 172.8681 92 Y 5.0672 7.1155 118.6956 57.7160 43.5161 173.2185 93 T 4.4482 8.8652 114.1396 63.5006 73.3291 173.5890 94 T 4.7586 8.5422 121.5373 61.9354 69.4037 173.5674 95 C 5.1784 8.8610 125.0702 56.1086 48.6256 172.5202 96 T 5.6230 8.6914 118.1213 60.9404 72.1919 173.1837 97 F 5.2648 8.6458 124.4365 56.6397 41.3655 175.0800 98 V 4.6741 8.3560 122.8452 61.1379 32.3491 174.7995 99 V 4.2500 8.8068 126.8201 61.9801 33.6562 173.5537 100 Y 5.1702 8.6941 124.9543 56.0522 42.3883 174.3452 101 S 5.0170 9.4005 119.7448 57.5933 66.8277 173.2780 102 I 4.5489 8.8741 127.0860 60.5801 40.4204 173.3510 103 P 4.7015 0.0000 0.0000 63.3366 31.9420 177.1631 104 W 4.5322 8.5258 115.5144 58.6047 28.5157 177.3819 105 L 4.0433 8.2337 116.2934 55.0341 43.3675 173.9323 106 N 4.2410 9.7853 117.5669 53.1769 35.9944 172.6713 107 Q 4.6167 8.2575 120.7868 53.9199 32.9506 172.9266 108 I 5.1957 7.7438 130.1352 61.1237 40.7991 172.5496 109 K 4.7005 8.1711 128.8635 56.3714 35.7681 173.9470 110 L 4.4177 7.9796 119.2289 53.0830 42.0792 176.3121 111 L 3.9395 8.1698 124.9036 55.6593 42.0812 177.4377 112 E 4.7204 6.9720 113.1549 56.6848 33.0736 174.3694 113 S 4.8678 8.5154 114.5725 56.3989 63.3065 173.7906 114 K 4.2083 9.2337 127.1921 56.9655 30.6630 173.8669 115 C 5.6138 8.4806 123.1761 54.4632 40.5188 174.4658 *116 Q 4.1421 8.2622 120.2822 54.9707 28.4603 174.7703 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 9 G 8.35 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 10 A 7.19 4.04 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 11 P 0.00 4.68 0.00 2.02 2.21 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 12 V 7.97 4.57 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 0.67 0.00 0.00 0.87 0.00 0.00 13 P 0.00 4.74 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 14 V 8.16 4.28 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 1.11 0.00 0.00 0.96 0.00 0.00 15 D 8.39 4.76 0.00 2.94 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 16 E 8.64 4.42 0.00 1.93 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 2.25 2.38 0.00 17 N 7.65 4.62 0.00 2.73 2.85 0.00 0.00 6.80 7.89 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 18 D 7.95 4.53 0.00 2.64 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 19 E 8.80 4.40 0.00 2.12 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 0.00 2.35 2.43 0.00 20 G 8.11 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 0.00 0.00 0.00 21 L 7.82 4.03 0.00 1.68 1.62 0.26 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.61 4.04 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 23 R 7.66 4.07 0.00 1.91 1.89 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 24 A 8.02 4.19 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 25 L 7.82 3.97 0.00 1.70 1.88 0.98 0.73 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 26 Q 8.26 4.15 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 27 F 7.99 3.95 0.00 3.23 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 28 A 8.03 4.70 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 29 M 7.86 4.19 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 30 A 7.77 4.95 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 31 E 8.25 3.92 0.00 2.14 2.23 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 2.48 2.45 0.00 32 Y 8.17 4.30 0.00 3.16 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 33 N 8.37 4.24 0.00 2.92 3.22 0.00 0.00 6.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.82 4.08 0.00 1.82 1.98 0.00 3.23 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 35 A 7.43 4.24 1.40 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 0.00 0.00 0.00 36 S 7.56 4.19 0.00 3.81 3.50 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 37 N 8.54 3.61 0.00 2.72 2.64 0.00 0.00 7.05 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 38 D 8.45 4.78 0.00 2.84 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 39 K 8.08 4.47 0.00 1.73 1.70 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.03 1.13 7.81 40 Y 8.37 5.13 0.00 2.97 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 41 S 8.99 4.79 0.00 4.13 4.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.30 5.36 0.00 3.71 3.86 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 43 R 8.94 5.00 0.00 1.85 1.96 0.00 2.63 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.00 44 V 8.74 3.87 1.77 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 0.75 0.00 0.00 0.81 0.00 0.00 45 V 8.17 4.35 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 0.90 0.00 0.00 1.09 0.00 0.00 46 R 7.26 4.79 0.00 1.67 1.72 0.00 3.12 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 47 V 8.17 4.25 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 0.77 0.00 0.00 0.78 0.00 0.00 48 I 8.09 4.13 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.56 0.85 0.00 0.00 49 S 7.46 4.67 0.00 3.86 3.88 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 50 A 8.15 4.79 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 51 K 9.06 4.74 0.00 1.63 1.70 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.31 7.81 52 R 8.64 5.25 0.00 1.32 1.52 0.00 2.78 0.00 0.00 2.99 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.00 53 Q 8.14 4.95 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 54 L 7.99 5.02 0.00 1.52 1.45 0.87 0.44 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 55 V 8.23 4.45 2.23 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 0.52 0.00 0.00 0.75 0.00 0.00 56 S 8.81 5.07 0.00 4.12 4.53 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 57 G 7.64 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 58 I 8.23 4.82 1.58 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 0.93 1.18 0.65 0.00 0.00 59 K 8.20 4.80 0.00 1.11 1.21 0.00 1.36 0.00 0.00 1.11 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.13 1.47 7.81 60 Y 8.92 4.87 0.00 2.95 2.91 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 61 I 8.69 4.92 1.85 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 1.31 0.77 0.87 0.00 0.00 62 L 8.87 5.07 0.00 1.64 1.74 0.70 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.21 4.71 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 64 V 8.29 4.11 1.79 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 -0.72 0.00 0.00 0.84 0.00 0.00 65 E 8.46 4.83 0.00 1.84 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 0.00 1.93 2.07 0.00 66 I 8.73 4.66 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.87 0.00 0.00 67 G 9.22 5.11 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 0.00 0.00 0.00 68 R 8.51 5.49 0.00 1.89 2.09 0.00 3.53 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 69 T 7.64 4.48 3.60 0.00 0.00 0.00 0.00 0.00 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 70 T 8.39 4.63 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 1.19 0.00 0.00 71 C 7.97 5.32 0.00 2.91 2.96 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 0.00 0.00 0.00 72 P 0.00 4.64 0.00 1.83 1.34 0.00 3.45 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.54 0.00 73 K 7.73 3.67 0.00 2.10 1.73 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.26 7.81 74 S 8.31 4.16 0.00 3.89 3.75 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 75 S 7.97 4.58 0.00 3.97 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 76 G 6.48 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 77 D 8.27 5.00 0.00 2.81 2.73 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 78 L 8.39 3.57 0.00 1.82 1.73 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.48 4.33 0.00 2.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 5.91 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 80 S 10.53 3.15 0.00 4.06 3.94 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 0.00 0.00 0.00 81 C 5.82 4.14 0.00 3.25 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 82 E 7.13 5.56 0.00 2.13 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 2.19 2.06 0.00 83 F 8.41 4.90 0.00 2.98 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 84 H 8.61 3.97 0.00 3.28 3.39 0.00 5.77 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 85 D 8.70 4.88 0.00 2.65 2.48 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 86 E 8.27 4.98 0.00 2.14 1.93 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 2.19 2.37 0.00 87 P 0.00 4.58 0.00 2.05 2.12 0.00 3.83 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 1.96 2.18 0.00 88 E 8.48 4.26 0.00 2.02 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 2.34 2.35 0.00 89 M 7.53 4.97 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 90 A 8.62 4.21 1.13 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 0.00 0.00 91 K 8.38 3.57 0.00 1.57 1.44 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.45 7.81 92 Y 7.12 5.07 0.00 2.92 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 93 T 8.87 4.45 4.35 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 1.28 0.00 0.00 94 T 8.54 4.76 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 1.22 0.00 0.00 95 C 8.86 5.18 0.00 3.12 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 96 T 8.69 5.62 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 1.23 0.00 0.00 97 F 8.65 5.26 0.00 2.91 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 98 V 8.36 4.67 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 1.00 0.00 0.00 0.96 0.00 0.00 99 V 8.81 4.25 2.23 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 0.87 0.00 0.00 0.99 0.00 0.00 100 Y 8.69 5.17 0.00 3.10 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 0.00 101 S 9.40 5.02 0.00 4.08 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 0.00 102 I 8.87 4.55 2.22 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 1.38 0.46 -0.61 0.00 0.00 103 P 0.00 4.70 0.00 2.28 2.26 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 104 W 8.53 4.53 0.00 3.42 3.19 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 0.00 105 L 8.23 4.04 0.00 0.27 0.71 -0.33 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 106 N 9.79 4.24 0.00 2.84 2.90 0.00 0.00 6.84 7.07 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 0.00 107 Q 8.26 4.62 0.00 2.44 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.88 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 108 I 7.74 5.20 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 1.06 0.00 0.00 109 K 8.17 4.70 0.00 1.92 1.65 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.61 7.81 110 L 7.98 4.42 0.00 0.27 0.25 0.71 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.17 3.94 0.00 1.75 1.67 1.00 1.40 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 0.00 112 E 6.97 4.72 0.00 2.07 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 0.00 2.11 2.09 0.00 113 S 8.52 4.87 0.00 3.84 3.84 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 0.00 114 K 9.23 4.21 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.46 7.81 115 C 8.48 5.61 0.00 2.90 3.22 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 *116 Q 8.26 4.14 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.67 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.