NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 D 4.5790 8.3493 120.1914 53.3302 41.2753 174.6760 20 P 4.5899 0.0000 0.0000 60.6885 32.6098 173.8459 21 K 4.8031 9.9611 121.1807 56.0538 37.4004 175.7719 22 R 5.1378 9.0557 118.4467 54.3606 33.8974 175.4699 23 L 5.2828 8.6874 121.7548 53.4301 44.6243 174.7026 24 Y 4.7984 9.3339 127.3337 56.3235 40.4352 173.8807 25 C 4.2942 8.8028 128.6610 58.2669 32.2676 174.2796 26 K 3.7505 8.3788 128.1797 59.1326 32.4194 177.0318 27 N 4.4263 7.6544 119.9827 50.3381 37.1183 174.6797 28 G 4.0257 8.4523 108.8917 44.0491 0.0000 170.8951 29 G 3.5064 7.4695 106.1285 47.5107 0.0000 173.6005 30 F 4.8866 7.2924 116.0467 55.2069 43.0221 175.8787 31 F 5.1799 9.6394 122.3841 56.8699 40.0049 174.9261 32 L 4.6367 9.0577 125.7119 55.2817 43.3170 175.5955 33 R 4.9573 9.3550 126.1037 54.5774 33.6271 173.7232 34 I 4.6739 8.3828 126.6247 59.9613 39.2146 175.0268 35 H 4.6864 9.3604 125.3976 53.7856 30.0040 175.1603 36 P 4.1953 0.0000 0.0000 65.7362 31.1748 176.8922 37 D 4.5282 7.9984 116.0024 53.5216 39.7113 176.8316 38 G 4.1863 8.5203 110.1069 45.7479 0.0000 174.4195 39 R 4.4738 8.1460 118.9283 55.8924 30.8293 175.6867 40 V 4.9921 7.9455 119.1129 61.4819 34.9010 174.5925 41 D 4.6831 8.5699 124.3124 53.1153 42.8095 174.1290 42 G 4.7047 8.7784 105.1159 45.2159 0.0000 173.1447 43 V 5.0865 9.0249 113.6998 59.7742 35.8200 176.9601 44 R 3.9698 8.8924 121.4133 57.7814 30.8787 176.5064 45 E 4.2606 8.2202 119.8301 55.0796 29.3829 177.1317 46 K 3.5324 8.7431 126.8009 58.9655 32.9105 177.7316 47 S 4.4348 7.7306 113.2754 57.8335 62.9887 173.7137 48 D 4.3964 7.7829 122.4369 53.9367 41.6467 175.5063 49 P 4.2199 0.0000 0.0000 65.9579 31.8925 177.4591 50 H 4.4299 8.5160 114.5425 56.6636 28.3979 175.8416 51 I 4.5502 7.0731 111.6903 59.8395 38.5335 175.6845 52 K 4.4341 7.9130 124.2648 56.1277 33.1528 175.9728 53 L 5.2669 9.0510 124.7085 52.9223 46.1673 175.3680 54 Q 4.8749 9.0747 120.7160 54.1449 31.5660 174.4347 55 L 5.1530 8.5908 123.8899 53.1193 43.7730 175.7851 56 Q 4.7948 8.9102 122.4905 53.9037 31.8806 174.9618 57 A 4.4055 8.7935 125.4991 52.9237 19.2704 175.2117 58 E 4.1050 9.1042 119.6782 57.0936 30.6340 178.2421 59 E 4.3868 8.1279 120.9489 55.3022 31.7563 176.1702 60 R 4.1678 8.2680 119.4940 57.8217 30.4809 177.8556 61 G 4.0694 9.1741 110.4200 45.2646 0.0000 172.3663 62 V 4.9860 7.7186 120.1233 61.2318 34.1770 174.8814 63 V 5.3595 9.1771 119.7800 59.9312 36.5617 174.4444 64 S 5.2711 9.0779 117.3178 56.1175 66.3555 173.1403 65 I 4.9009 8.2273 120.7096 59.5918 40.4839 174.0682 66 K 4.6333 9.0521 129.4297 54.1515 34.9817 175.1882 67 G 3.9256 8.6929 115.2738 45.8059 0.0000 174.2120 68 V 3.6052 8.4082 126.8502 66.4358 31.7468 177.1861 69 C 4.1874 8.0637 114.9329 62.8885 28.0937 175.3537 70 A 3.9850 7.9912 120.5921 53.1928 18.4165 176.5879 71 N 4.1015 8.1090 113.3997 54.8657 37.9500 173.8053 72 R 4.8356 7.2380 113.9173 54.6485 35.2652 174.9722 73 Y 4.8515 9.0055 119.9056 56.3198 40.3393 174.9048 74 L 4.4625 9.1284 126.1012 55.1563 43.3570 175.5890 75 A 5.2826 9.5243 127.6470 50.3475 22.7880 174.0777 76 M 5.1248 8.6997 119.9904 53.8531 34.2869 176.2051 77 K 4.5689 8.8372 125.9470 54.9820 33.5912 177.7073 78 E 3.5630 8.7424 118.1517 58.7496 29.4688 177.3859 79 D 4.6563 8.1490 117.8141 52.9102 39.7203 177.5113 80 G 3.5814 8.3557 109.7521 45.5516 0.0000 174.2561 81 R 4.2232 7.5874 116.7062 55.6811 31.3042 175.4367 82 L 5.0060 6.5882 120.3831 53.5954 43.1518 175.8107 83 L 4.7968 8.6919 122.3740 54.5665 44.9528 174.1946 84 A 5.2026 8.9266 121.1034 50.2529 21.4052 175.3239 85 S 4.6512 9.0727 118.7273 57.0847 63.5291 175.3914 86 K 4.2071 8.9101 127.9243 58.6474 32.4542 176.2040 87 C 4.5805 7.8325 118.8204 57.3923 32.5648 173.3445 88 V 3.3703 8.1281 121.0043 61.4931 31.8387 175.2498 89 T 4.7384 7.8920 112.9704 59.3051 71.8519 174.0966 90 D 4.5760 8.5741 119.9203 55.4633 39.4694 176.7416 91 E 4.1923 8.0514 119.1605 57.3574 29.8979 176.7213 92 C 4.7908 7.8565 116.4692 58.4966 29.6232 172.8608 93 F 4.8480 7.3040 117.8078 55.5570 41.9145 174.3515 94 F 5.2123 8.9371 120.1053 55.6825 43.5726 174.0024 95 F 4.9678 9.4124 122.3757 57.3944 40.1677 173.9612 96 E 4.9171 9.3774 125.4784 54.5869 30.9810 174.9846 97 R 4.6829 8.6013 126.8765 54.2269 33.6911 173.7796 98 L 4.4156 8.6698 128.3699 55.2373 42.7317 175.9771 99 E 4.7118 8.8895 127.5737 54.7206 32.1992 176.0850 100 S 4.2618 8.3727 115.4663 60.3009 63.2512 174.2846 101 N 4.2009 9.2973 118.0257 54.8305 35.4670 175.1355 102 N 4.3946 8.5705 112.1858 53.7931 36.4964 174.2558 103 Y 4.5161 7.6556 116.9845 58.0204 39.4064 174.4288 104 N 5.6884 9.8352 119.4947 51.7354 42.7562 173.6038 105 T 5.2484 8.6335 111.1112 60.2450 72.9456 172.7581 106 Y 5.2094 8.7060 118.8024 56.6792 41.6989 173.9685 107 R 4.9446 9.1112 125.8235 54.0976 32.4807 175.4077 108 S 4.4027 9.0967 121.5486 58.8748 62.8667 175.0798 109 R 3.6211 8.3102 127.4296 58.7576 29.8974 177.4592 110 K 3.8247 7.7942 118.7947 57.9620 32.8793 176.2773 111 Y 4.1160 7.5382 120.1222 56.2412 36.5383 176.1275 112 T 4.5542 8.1698 110.7120 62.0135 69.2542 175.8405 113 S 4.6818 7.7370 115.3999 57.9441 63.9863 173.3147 114 W 5.3546 8.1831 122.2775 55.8014 30.9453 174.8286 115 Y 5.3468 8.9166 121.5820 55.9699 40.2510 175.8806 116 V 4.0273 9.1056 122.7697 63.4166 32.2942 175.1565 117 A 5.0409 8.5433 126.6040 51.2522 22.5225 174.7150 118 L 5.1699 8.0872 119.2481 52.7438 45.0053 177.2947 119 K 4.2097 8.8475 122.2773 55.7514 32.7716 178.6166 120 R 4.3620 8.6139 119.0937 58.5293 30.0147 178.2041 121 T 3.9456 7.6059 106.3492 62.3165 69.3874 175.6681 122 G 2.6917 7.8013 111.8808 44.7101 0.0000 173.5849 123 Q 4.2833 7.1376 119.1706 55.0420 29.5377 175.0972 124 Y 4.7102 7.7185 118.2496 57.0986 39.1452 174.6123 125 K 4.5882 8.6070 121.9963 54.2678 34.2138 175.9554 126 L 4.1326 8.7730 126.5777 55.3496 42.2817 178.5497 127 G 3.7269 9.1020 113.4030 48.6338 0.0000 175.7557 128 S 2.7900 6.9986 113.0182 59.6917 62.8665 174.9851 129 K 4.4206 7.8149 119.5432 56.1259 32.2381 175.9113 130 T 4.6626 6.8653 109.2718 60.0708 70.5891 173.3914 131 G 4.2167 7.7762 108.8539 44.1108 0.0000 172.6353 132 P 3.8708 0.0000 0.0000 64.5791 31.4559 177.4908 133 G 3.9598 7.8217 106.1264 45.1570 0.0000 173.3404 134 Q 4.2264 7.4943 119.1619 54.6685 29.7463 177.3197 135 K 3.8415 8.4254 121.6397 59.0533 32.6084 178.9099 136 A 3.9062 7.9487 121.7344 54.3905 18.3296 178.3487 137 I 4.3621 7.0190 106.0310 61.1022 38.5561 175.4512 138 L 4.5072 7.3279 122.8999 53.8778 42.8901 175.4961 139 F 5.5010 9.3342 123.1600 55.5733 42.3291 174.3405 140 L 4.7473 9.3593 125.8933 53.1497 43.2757 173.9101 141 P 5.0753 0.0000 0.0000 62.9863 32.1471 175.7425 142 M 4.9674 9.3608 122.7076 53.2174 36.5414 174.9885 143 S 4.0729 8.8315 115.4671 59.1939 62.9737 171.7692 144 A 4.2193 8.8527 126.7329 53.6284 21.5008 177.6118 *145 K 4.1283 7.9505 121.7693 53.9465 32.4811 178.1310 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 19 D 8.35 4.58 0.00 2.66 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 20 P 0.00 4.59 0.00 2.16 2.01 0.00 3.78 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 1.96 2.00 0.00 21 K 9.96 4.80 0.00 2.01 2.11 0.00 1.26 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.31 1.44 7.81 22 R 9.06 5.14 0.00 1.82 1.97 0.00 2.37 0.00 0.00 2.85 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 23 L 8.69 5.28 0.00 1.53 1.56 0.37 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.33 4.80 0.00 2.97 3.03 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 25 C 8.80 4.29 0.00 2.81 2.67 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 0.00 0.00 0.00 26 K 8.38 3.75 0.00 1.60 1.53 0.00 0.65 0.00 0.00 1.15 0.00 0.00 2.48 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.19 7.81 27 N 7.65 4.43 0.00 2.82 2.54 0.00 0.00 7.41 8.14 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 28 G 8.45 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 29 G 7.47 3.51 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 30 F 7.29 4.89 0.00 2.88 2.93 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 31 F 9.64 5.18 0.00 3.05 3.02 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 32 L 9.06 4.64 0.00 1.85 1.54 0.94 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 R 9.36 4.96 0.00 1.92 2.05 0.00 3.02 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.67 0.00 34 I 8.38 4.67 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.88 0.00 0.00 35 H 9.36 4.69 0.00 3.14 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.55 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 4.20 0.00 2.17 2.20 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 37 D 8.00 4.53 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 38 G 8.52 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 39 R 8.15 4.47 0.00 1.82 1.87 0.00 3.06 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 40 V 7.95 4.99 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 0.94 0.00 0.00 0.92 0.00 0.00 41 D 8.57 4.68 0.00 2.92 2.82 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 42 G 8.78 4.70 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 43 V 9.02 5.09 2.33 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 0.92 0.00 0.00 1.09 0.00 0.00 44 R 8.89 3.97 0.00 1.73 1.84 0.00 2.72 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.08 0.00 45 E 8.22 4.26 0.00 2.10 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 2.39 2.36 0.00 46 K 8.74 3.53 0.00 1.57 1.98 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.36 7.81 47 S 7.73 4.43 0.00 3.90 3.95 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 0.00 0.00 0.00 48 D 7.78 4.40 0.00 2.90 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.22 0.00 2.09 2.20 0.00 3.71 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 1.92 1.91 0.00 50 H 8.52 4.43 0.00 3.36 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.07 4.55 1.89 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 0.97 0.00 0.00 52 K 7.91 4.43 0.00 1.90 1.72 0.00 1.38 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 53 L 9.05 5.27 0.00 1.46 1.41 0.80 0.61 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 54 Q 9.07 4.87 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 55 L 8.59 5.15 0.00 1.55 1.63 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.91 4.79 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 57 A 8.79 4.41 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 58 E 9.10 4.10 0.00 1.94 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 0.00 2.45 2.23 0.00 59 E 8.13 4.39 0.00 2.09 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 2.34 2.32 0.00 60 R 8.27 4.17 0.00 1.84 1.92 0.00 3.27 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 61 G 9.17 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.72 4.99 2.17 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 0.97 0.00 0.00 0.84 0.00 0.00 63 V 9.18 5.36 2.22 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 0.86 0.00 0.00 1.26 0.00 0.00 64 S 9.08 5.27 0.00 3.87 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 4.90 1.68 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.52 0.67 0.00 0.00 66 K 9.05 4.63 0.00 1.36 1.40 0.00 1.07 0.00 0.00 0.74 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.97 0.64 7.81 67 G 8.69 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 68 V 8.41 3.61 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 0.74 0.00 0.00 0.87 0.00 0.00 69 C 8.06 4.19 0.00 2.94 2.93 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 70 A 7.99 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.10 0.00 2.76 2.81 0.00 0.00 6.96 8.12 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 72 R 7.24 4.84 0.00 1.70 1.73 0.00 3.16 0.00 0.00 3.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 73 Y 9.01 4.85 0.00 2.88 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 74 L 9.13 4.46 0.00 1.64 1.54 0.83 0.45 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 75 A 9.52 5.28 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 76 M 8.70 5.12 0.00 2.40 2.34 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.77 0.00 77 K 8.84 4.57 0.00 1.98 1.74 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.51 7.81 78 E 8.74 3.56 0.00 2.13 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 2.32 2.34 0.00 79 D 8.15 4.66 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.36 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 4.22 0.00 1.74 2.04 0.00 2.78 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.00 82 L 6.59 5.01 0.00 0.94 1.44 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.69 4.80 0.00 1.90 1.67 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.93 5.20 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 85 S 9.07 4.65 0.00 3.93 3.90 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 86 K 8.91 4.21 0.00 1.79 1.86 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.45 7.81 87 C 7.83 4.58 0.00 2.98 2.82 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 88 V 8.13 3.37 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 -0.42 0.00 0.00 0.80 0.00 0.00 89 T 7.89 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 1.25 0.00 0.00 90 D 8.57 4.58 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.05 4.19 0.00 2.04 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 2.36 2.27 0.00 92 C 7.86 4.79 0.00 2.27 2.45 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 93 F 7.30 4.85 0.00 2.71 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 94 F 8.94 5.21 0.00 3.11 3.12 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 95 F 9.41 4.97 0.00 3.08 2.95 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 0.00 0.00 0.00 96 E 9.38 4.92 0.00 2.16 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 2.21 2.00 0.00 97 R 8.60 4.68 0.00 1.95 1.76 0.00 3.18 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 98 L 8.67 4.42 0.00 1.71 1.60 0.96 0.96 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 99 E 8.89 4.71 0.00 2.10 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 2.30 2.43 0.00 100 S 8.37 4.26 0.00 3.96 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 0.00 101 N 9.30 4.20 0.00 3.16 3.07 0.00 0.00 7.04 8.00 0.00 0.00 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 N 8.57 4.39 0.00 2.73 2.91 0.00 0.00 7.18 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.66 4.52 0.00 3.01 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 0.00 104 N 9.84 5.69 0.00 2.70 2.45 0.00 0.00 6.63 6.95 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 0.00 105 T 8.63 5.25 4.48 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 1.24 0.00 0.00 106 Y 8.71 5.21 0.00 2.88 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 0.00 107 R 9.11 4.94 0.00 1.64 1.93 0.00 3.20 0.00 0.00 2.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.00 108 S 9.10 4.40 0.00 4.19 4.08 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 0.00 109 R 8.31 3.62 0.00 1.37 1.63 0.00 3.03 0.00 0.00 2.75 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 0.00 110 K 7.79 3.82 0.00 1.48 1.02 0.00 1.48 0.00 0.00 1.07 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.97 7.81 111 Y 7.54 4.12 0.00 2.65 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 0.00 112 T 8.17 4.55 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 1.30 0.00 0.00 113 S 7.74 4.68 0.00 4.15 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 0.00 114 W 8.18 5.35 0.00 3.41 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.92 5.35 0.00 2.95 3.05 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 0.00 116 V 9.11 4.03 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 0.59 0.00 0.00 0.56 0.00 0.00 117 A 8.54 5.04 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 0.00 118 L 8.09 5.17 0.00 1.44 1.47 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.85 4.21 0.00 1.71 1.60 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.31 7.81 120 R 8.61 4.36 0.00 1.76 2.02 0.00 3.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 121 T 7.61 3.95 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 1.14 0.00 0.00 122 G 7.80 2.69 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 0.00 0.00 0.00 123 Q 7.14 4.28 0.00 1.84 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 124 Y 7.72 4.71 0.00 3.09 2.99 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 0.00 0.00 0.00 0.00 125 K 8.61 4.59 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81 126 L 8.77 4.13 0.00 1.54 1.41 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.10 3.73 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 0.00 0.00 0.00 128 S 7.00 2.79 0.00 3.51 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 0.00 129 K 7.81 4.42 0.00 1.65 1.76 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.19 7.81 130 T 6.87 4.66 4.41 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 1.44 0.00 0.00 131 G 7.78 4.22 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 0.00 132 P 0.00 3.87 0.00 2.18 2.29 0.00 3.80 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 2.00 2.04 0.00 133 G 7.82 3.96 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 0.00 0.00 0.00 134 Q 7.49 4.23 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 135 K 8.43 3.84 0.00 1.67 1.68 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.26 7.81 136 A 7.95 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 0.00 137 I 7.02 4.36 1.81 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.79 0.00 0.00 138 L 7.33 4.51 0.00 1.30 1.40 0.60 1.28 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 0.00 139 F 9.33 5.50 0.00 3.32 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 0.00 140 L 9.36 4.75 0.00 1.68 1.77 0.45 0.87 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 0.00 141 P 0.00 5.08 0.00 2.05 2.08 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 142 M 9.36 4.97 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 143 S 8.83 4.07 0.00 3.88 3.76 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 0.00 144 A 8.85 4.22 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 *145 K 7.95 4.13 0.00 1.54 1.64 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.