NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3125 8.3033 121.4672 55.3134 30.7005 176.2064 4 P 4.0653 0.0000 0.0000 65.2823 31.5391 176.1794 5 L 4.3381 7.9625 115.7168 55.5207 43.4959 177.8134 6 H 4.1195 8.2632 120.1545 58.5912 29.8578 176.4091 7 A 3.9826 8.1223 121.9284 55.5128 18.1496 179.0750 8 L 3.8698 8.0457 116.1829 58.1113 41.7047 179.3447 9 A 3.8924 8.1181 120.5402 55.5609 18.2613 179.7096 10 R 3.8159 7.9250 115.9612 59.5373 30.1307 179.0554 11 Q 3.9030 7.9662 118.8596 59.0361 29.0099 178.1116 12 L 3.8895 7.7362 121.2646 58.0013 42.0506 178.4376 13 E 3.7639 8.1087 119.1763 59.3156 29.5322 178.3233 14 Q 3.8521 8.1436 119.2458 59.3280 29.1180 178.1809 15 A 3.9762 8.0253 121.4492 55.3385 18.1586 179.4936 16 I 3.5550 7.8357 117.5182 64.6386 37.3173 178.7101 17 R 2.8381 7.8560 115.8493 58.7664 29.3041 178.3201 18 A 4.1750 8.2503 121.1057 53.3439 18.8822 178.0885 19 S 4.2780 7.6158 112.7018 58.2157 64.0533 175.0227 20 E 3.9743 9.1525 122.5188 59.6595 29.1905 178.2177 21 P 4.2943 0.0000 0.0000 65.5429 31.4695 178.4919 22 F 4.1222 8.0640 118.6950 61.2801 39.1709 177.2498 23 Q 4.0128 8.5785 118.2225 59.0940 28.5164 178.7235 24 Q 3.9933 8.2680 118.9827 58.3873 28.7061 178.4483 25 L 3.8851 7.7689 121.7606 57.9005 42.0443 178.9530 26 K 3.8197 7.6589 118.4216 59.4926 31.9561 178.8184 27 R 3.8284 8.1865 118.8761 59.7909 29.5761 178.2036 28 A 3.9579 8.4105 120.5433 55.4253 18.3186 178.9966 29 Y 3.9267 8.0617 118.0181 60.6121 38.9502 177.9025 30 E 3.6349 8.2293 119.8733 59.3919 29.4361 178.9154 31 D 4.4121 8.0369 116.9789 56.2770 41.0525 178.1341 32 V 3.8960 6.8865 118.6713 64.9982 31.7646 177.7186 33 R 3.7816 7.3566 117.4160 58.4144 29.7468 177.7109 34 R 4.5951 7.2734 115.0204 54.4141 30.7159 175.0189 35 D 4.7576 7.5941 119.6302 51.9831 43.2832 175.8598 36 E 4.0061 9.1318 127.0669 60.2832 29.2451 179.3533 37 T 3.8543 8.0227 112.9106 66.8413 68.6793 175.9777 38 A 4.1693 7.9390 121.1787 55.4689 18.8022 178.8483 39 Y 3.9997 8.4874 118.1104 60.1087 38.7264 177.2606 40 R 4.1850 7.6717 117.5196 57.1150 29.8182 177.2648 *42 F 4.4659 7.9413 120.5856 57.9944 41.3634 176.6688 43 A 3.9230 8.0252 122.1207 55.3968 18.0823 178.6132 44 N 4.1187 8.0051 115.2379 57.3923 38.9129 177.2843 45 V 3.5627 7.5891 112.8140 64.4114 31.6852 178.4399 46 R 3.6134 7.7864 118.3830 59.3339 29.6771 178.3012 47 D 4.3538 7.9775 118.7175 56.8751 40.8305 178.6585 48 I 3.6551 7.6540 120.3885 64.7161 37.0788 178.6083 49 Q 3.9627 8.1881 118.4747 58.3861 28.5055 178.6366 50 L 3.9293 7.5537 121.5479 57.8367 42.0934 178.8446 51 R 3.8367 8.3125 119.0182 59.4115 30.1310 178.0491 52 L 3.9341 7.9967 118.9811 58.5293 41.5154 179.2130 53 H 4.0827 7.7547 116.3177 59.0900 29.7090 176.6859 54 E 4.1153 7.7674 120.1025 59.2784 29.7815 178.4803 55 K 4.0999 8.3839 118.9479 59.2931 32.0605 178.2241 56 Q 4.3576 8.0231 118.9960 56.5813 29.3244 177.3332 *58 R 4.1459 8.0152 116.0905 54.2642 31.9244 176.4020 59 G 3.8463 8.2097 105.2323 45.7757 0.0000 174.1134 60 A 4.0787 7.9783 122.0182 51.5113 18.9045 178.1308 61 A 4.2186 8.1972 122.6179 52.4132 19.0375 178.4651 62 I 4.8151 7.6411 119.3273 57.6166 38.8747 175.9916 63 L 4.2300 8.0887 125.3578 53.7667 43.6160 175.9389 64 P 4.3918 0.0000 0.0000 66.1072 31.1182 177.5657 65 D 4.3520 8.4072 115.8807 57.9311 40.4383 178.4082 66 E 3.9436 8.1402 117.7916 60.2523 29.9122 179.7902 67 I 3.7130 7.3894 117.7604 64.6750 37.0175 178.1574 68 E 3.9436 9.0341 120.7228 59.2010 29.1967 178.7448 69 Q 3.9006 8.9624 119.6241 59.4382 28.7775 179.2728 70 A 3.9880 8.4237 121.1057 55.3695 18.6724 179.5360 71 Q 4.0518 7.8895 114.8994 58.4122 28.9571 178.6263 72 K 4.0738 8.3542 121.3027 59.3481 32.2758 180.4445 73 A 4.1554 7.5538 119.4286 52.2470 18.3888 179.0764 *75 A 4.2482 8.0222 125.8496 53.7499 20.8947 179.9072 76 L 4.0452 8.0240 116.9047 58.2122 42.0296 179.0156 77 A 3.9984 8.5425 121.1172 55.2248 18.1511 179.2021 78 Q 3.9964 7.5381 114.9760 58.4712 29.1477 177.5167 79 Q 4.3463 7.9578 119.3159 57.1585 29.4614 175.2413 80 N 4.6384 8.0341 118.9100 52.3028 39.3224 174.6642 81 E 3.9314 8.7782 128.7836 59.8856 29.7510 179.2922 82 K 3.8622 8.2288 117.4081 59.8440 31.9829 178.9569 83 L 4.1408 8.3862 119.4287 57.6501 42.1327 178.5789 84 A 4.1634 8.1657 120.6883 54.6570 18.5897 179.3065 85 R 4.0650 7.8134 117.4293 59.2599 30.1849 178.4424 86 L 3.9187 7.5614 116.3280 56.4734 42.2799 177.9821 *88 A 4.2841 8.0029 121.6547 52.0769 20.4813 179.6732 89 L 4.0297 8.4722 116.1062 57.6825 41.3716 179.2509 90 E 3.9320 8.2915 119.0101 58.8790 29.7146 178.3586 91 Q 4.2043 7.4816 117.4324 58.7000 29.1598 178.7916 92 Q 4.1751 8.0473 116.4516 56.9265 28.5944 178.2690 *94 S 4.3345 8.0268 115.0084 59.2797 64.4060 175.3395 95 I 3.6895 8.0743 120.9788 65.1406 37.0456 178.3265 96 T 3.9152 8.1870 116.2191 67.0477 68.2001 176.6886 97 I 3.7490 7.7449 120.8071 64.2579 37.2764 178.0639 98 A 4.0157 7.9279 121.2460 55.2907 18.1690 179.5809 99 E 3.9837 8.2792 117.0709 59.2918 29.2292 179.7705 100 V 3.5986 7.3818 117.5508 65.8179 31.8408 177.7495 101 Q 4.1260 8.3789 118.2351 59.2453 28.4285 178.7919 102 Q 3.9569 7.8878 118.8356 59.2790 29.1447 178.1527 103 I 3.9119 7.6346 119.5078 63.4250 37.0918 177.4312 104 A 4.2145 7.6646 121.1101 52.2755 18.8966 178.4195 *106 K 4.4811 8.0125 123.2381 57.7125 34.3177 176.2226 107 P 4.2947 0.0000 0.0000 65.1513 31.1375 178.4624 108 L 3.9097 7.7998 119.0673 58.1255 42.2955 178.3673 109 E 3.9305 8.2302 117.1425 59.6272 29.2215 178.5195 110 E 3.9277 8.1746 119.9875 58.9177 29.7123 178.6542 111 L 3.9856 7.8345 119.9818 58.5369 42.0323 178.4326 112 H 4.2445 8.3783 116.7498 59.3461 29.7448 175.6441 113 R 4.2731 7.6871 118.7168 58.0353 30.4484 177.7350 114 S 4.2596 8.3932 118.1084 60.5011 62.9033 174.3150 115 F 4.3970 8.0723 128.0103 58.8346 39.1117 174.3700 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 3 E 8.30 4.31 0.00 2.00 1.89 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 2.42 2.36 0.00 4 P 0.00 4.07 0.00 2.16 2.09 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 5 L 7.96 4.34 0.00 1.70 1.68 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.26 4.12 0.00 3.52 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.12 3.98 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 8 L 8.05 3.87 0.00 1.81 1.73 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.12 3.89 1.26 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 0.00 0.00 0.00 10 R 7.92 3.82 0.00 1.94 1.97 0.00 3.14 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 11 Q 7.97 3.90 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 12 L 7.74 3.89 0.00 1.92 1.76 0.88 0.84 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 13 E 8.11 3.76 0.00 2.01 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 0.00 2.22 2.22 0.00 14 Q 8.14 3.85 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 15 A 8.03 3.98 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 16 I 7.84 3.55 1.82 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 1.51 0.74 0.65 0.00 0.00 17 R 7.86 2.84 0.00 1.70 1.55 0.00 3.04 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 1.78 1.59 0.00 18 A 8.25 4.18 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 19 S 7.62 4.28 0.00 4.08 4.18 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 20 E 9.15 3.97 0.00 2.02 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 0.00 2.43 2.39 0.00 21 P 0.00 4.29 0.00 2.23 2.14 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 22 F 8.06 4.12 0.00 3.27 3.36 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 23 Q 8.58 4.01 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 24 Q 8.27 3.99 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 25 L 7.77 3.89 0.00 1.68 1.50 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.66 3.82 0.00 1.98 1.81 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.23 7.81 27 R 8.19 3.83 0.00 2.10 1.95 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 28 A 8.41 3.96 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 29 Y 8.06 3.93 0.00 3.00 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 30 E 8.23 3.63 0.00 2.17 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 0.00 2.52 2.46 0.00 31 D 8.04 4.41 0.00 2.57 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 32 V 6.89 3.90 1.99 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 0.88 0.00 0.00 1.00 0.00 0.00 33 R 7.36 3.78 0.00 1.20 1.60 0.00 2.97 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.00 34 R 7.27 4.60 0.00 1.84 1.81 0.00 3.00 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 35 D 7.59 4.76 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.13 4.01 0.00 2.05 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 2.42 2.42 0.00 37 T 8.02 3.85 4.34 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 1.23 0.00 0.00 38 A 7.94 4.17 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 39 Y 8.49 4.00 0.00 3.30 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 40 R 7.67 4.19 0.00 2.19 2.10 0.00 3.19 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 *42 F 7.94 4.47 0.00 3.16 2.85 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 43 A 8.03 3.92 1.25 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 0.00 0.00 44 N 8.01 4.12 0.00 2.90 2.79 0.00 0.00 7.31 7.87 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 45 V 7.59 3.56 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 0.67 0.00 0.00 0.77 0.00 0.00 46 R 7.79 3.61 0.00 1.09 1.78 0.00 3.05 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 47 D 7.98 4.35 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.65 3.66 1.96 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 1.49 0.80 0.88 0.00 0.00 49 Q 8.19 3.96 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 50 L 7.55 3.93 0.00 1.98 1.80 0.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.31 3.84 0.00 2.13 1.96 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 52 L 8.00 3.93 0.00 1.71 1.72 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 53 H 7.75 4.08 0.00 3.15 3.52 0.00 5.75 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 54 E 7.77 4.12 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 55 K 8.38 4.10 0.00 2.00 1.84 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 56 Q 8.02 4.36 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.46 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 *58 R 8.02 4.15 0.00 1.86 2.00 0.00 3.39 0.00 0.00 3.41 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.92 0.00 59 G 8.21 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 0.00 0.00 0.00 60 A 7.98 4.08 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 61 A 8.20 4.22 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 62 I 7.64 4.82 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.79 0.96 0.00 0.00 63 L 8.09 4.23 0.00 1.72 1.59 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.39 0.00 2.15 2.09 0.00 3.63 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 2.10 2.17 0.00 65 D 8.41 4.35 0.00 2.67 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 66 E 8.14 3.94 0.00 1.99 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 0.00 2.40 2.43 0.00 67 I 7.39 3.71 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.97 0.90 0.00 0.00 68 E 9.03 3.94 0.00 2.07 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 2.32 2.50 0.00 69 Q 8.96 3.90 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 70 A 8.42 3.99 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 71 Q 7.89 4.05 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 72 K 8.35 4.07 0.00 2.03 1.89 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 73 A 7.55 4.16 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 *75 A 8.02 4.25 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 76 L 8.02 4.05 0.00 1.93 1.77 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.54 4.00 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 78 Q 7.54 4.00 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 79 Q 7.96 4.35 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 80 N 8.03 4.64 0.00 2.81 2.85 0.00 0.00 6.97 7.26 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 81 E 8.78 3.93 0.00 2.05 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 2.42 2.45 0.00 82 K 8.23 3.86 0.00 2.07 1.86 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.56 7.81 83 L 8.39 4.14 0.00 1.69 1.88 1.15 1.11 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 84 A 8.17 4.16 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 85 R 7.81 4.07 0.00 1.91 2.26 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 86 L 7.56 3.92 0.00 1.84 1.87 1.29 1.04 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 *88 A 8.00 4.28 1.41 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 0.00 0.00 89 L 8.47 4.03 0.00 1.66 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.29 3.93 0.00 2.15 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 0.00 2.33 2.47 0.00 91 Q 7.48 4.20 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 92 Q 8.05 4.18 0.00 2.37 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.17 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 *94 S 8.03 4.33 0.00 3.97 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.07 3.69 2.00 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 1.53 0.61 0.92 0.00 0.00 96 T 8.19 3.92 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 1.23 0.00 0.00 97 I 7.74 3.75 2.02 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 1.61 1.01 0.91 0.00 0.00 98 A 7.93 4.02 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 99 E 8.28 3.98 0.00 2.20 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 2.33 2.54 0.00 100 V 7.38 3.60 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 0.82 0.00 0.00 0.97 0.00 0.00 101 Q 8.38 4.13 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 102 Q 7.89 3.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 103 I 7.63 3.91 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 1.46 0.97 0.91 0.00 0.00 104 A 7.66 4.21 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 *106 K 8.01 4.48 0.00 1.91 1.88 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.67 7.81 107 P 0.00 4.29 0.00 2.19 2.07 0.00 3.85 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 2.13 0.00 108 L 7.80 3.91 0.00 1.74 1.64 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.23 3.93 0.00 2.23 2.21 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 2.60 2.40 0.00 110 E 8.17 3.93 0.00 2.44 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 2.33 2.34 0.00 111 L 7.83 3.99 0.00 1.95 1.79 0.71 0.63 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 H 8.38 4.24 0.00 3.18 3.47 0.00 5.79 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.69 4.27 0.00 1.86 1.86 0.00 3.25 0.00 0.00 3.18 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 114 S 8.39 4.26 0.00 3.91 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 0.00 115 F 8.07 4.40 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.