NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0595 8.1976 109.7488 45.5018 0.0000 173.7816 4 S 2.0000 8.3979 113.1597 60.8252 62.6887 174.4419 5 H 3.9976 8.3426 119.4876 58.6066 28.7892 178.3105 6 M 4.0788 7.9515 120.0781 58.3861 32.1815 177.8352 7 Y 4.2631 7.4865 117.4579 60.0565 38.4206 177.7260 8 L 4.0913 7.6771 121.0265 57.5634 41.6830 179.3989 9 S 4.2378 7.7361 112.6217 61.0604 62.3277 176.2636 10 K 4.0374 8.1061 121.3496 59.5755 31.7746 179.3385 11 Q 4.0899 7.9715 118.2849 58.9543 28.6446 178.4564 12 L 4.0459 8.3624 120.4779 58.1448 41.7659 179.1205 13 C 4.2182 8.6610 118.6150 62.6761 31.5581 175.3666 14 F 4.2348 8.4716 122.0462 61.4603 39.0453 177.1373 15 L 3.9743 8.4019 118.7203 57.7344 41.4394 179.4755 16 F 4.2559 8.3893 119.3191 59.8613 38.7758 177.1577 17 Y 4.0824 8.0916 119.3657 60.6272 38.7466 178.2757 18 V 2.8441 7.4809 119.2744 65.6087 31.4403 178.0097 19 S 3.8931 7.7538 113.9206 61.4679 62.7014 176.1969 20 S 4.0417 7.9849 117.3279 60.6550 62.2766 175.6272 21 K 3.6431 7.5609 122.2030 59.9385 31.6854 178.2656 22 E 4.0634 7.8887 117.8991 58.9760 29.6447 179.1632 23 I 3.9999 8.0346 120.2403 64.7123 37.1777 178.4080 24 I 3.2664 7.8020 120.6593 64.0820 36.8289 178.2684 25 K 3.8616 7.8942 119.9522 59.6670 31.8702 179.0426 26 K 3.9674 7.9851 118.2925 59.4365 31.3469 179.1243 27 Y 4.0194 8.0580 116.7365 61.4811 37.9388 178.4516 28 T 4.0440 8.3753 116.9674 66.6302 68.2485 176.2264 29 N 4.1898 7.9811 117.5472 56.7693 39.0709 176.6754 30 Y 4.2196 7.5084 117.8155 61.1411 37.9061 178.7758 31 L 4.4472 8.6436 120.1530 57.1545 41.6903 179.2991 32 K 3.8818 7.9899 119.0084 59.8057 31.8662 178.5329 33 E 4.0198 7.5324 116.4900 58.7046 29.4032 177.4322 34 Y 4.6379 7.9625 114.3458 56.4302 38.7501 174.6431 35 D 4.4884 8.6171 118.6531 55.4190 40.4359 173.0232 36 L 4.9412 8.0136 115.2229 52.6234 44.6758 177.4342 37 T 4.4194 8.2406 112.6428 61.0757 71.3270 175.2783 38 Y 4.1885 8.6057 122.0535 61.5164 38.8350 178.5579 39 T 3.8080 8.1116 116.1739 66.2701 68.5830 176.8485 40 G 3.6113 8.1980 107.8892 47.8724 0.0000 174.9308 41 Y 4.0722 8.2001 122.3860 60.5312 38.8065 178.4057 42 I 3.1723 7.5798 120.4520 64.1796 37.0349 178.5645 43 V 3.4731 7.6932 118.9319 65.9739 31.1302 178.0578 44 L 3.8966 7.5435 117.3773 58.1330 41.5368 179.2818 45 M 3.9638 7.8151 117.4283 57.7724 31.8254 178.1839 46 A 4.1817 7.4268 120.0497 52.9612 18.8983 177.5848 47 I 3.9455 6.8426 119.1588 60.7380 37.9376 175.9087 48 E 4.3754 9.1364 125.5563 55.4113 30.4163 177.6497 49 N 4.3765 8.6176 118.3779 55.9802 38.7676 175.9075 50 D 4.7263 7.9882 115.4066 52.9114 39.8376 175.1130 51 E 4.7104 7.6950 120.2065 54.6213 31.7374 175.0179 52 K 4.8176 8.5491 126.1485 54.6802 34.6780 174.9985 53 L 5.0043 9.0868 127.3092 52.8234 45.6798 176.0278 54 N 4.7199 8.5005 118.9150 51.7025 39.1072 176.0385 55 I 3.7060 8.1533 118.8066 63.9065 37.9343 178.4031 56 K 3.9126 8.0167 119.0935 59.4748 32.0525 179.2430 57 K 3.8974 8.2833 118.6889 59.2230 31.8976 179.1969 58 L 3.9852 8.0434 120.7978 58.0204 42.1042 179.1083 59 G 3.6230 8.2884 105.9823 47.9474 0.0000 175.2557 60 E 3.6760 8.1678 121.1799 59.1116 29.2539 179.5744 61 R 3.9071 7.7218 117.2937 58.6558 30.1859 178.0264 62 V 4.3389 7.3729 108.8725 59.8577 32.3137 175.5745 63 F 3.4983 7.2686 114.6410 58.7427 36.9091 175.1706 64 L 4.8154 7.4501 117.9324 52.8288 44.3525 177.4266 65 D 4.6390 8.2711 121.0086 53.9273 42.9379 178.0131 66 S 4.2047 8.5902 117.6317 61.8224 62.6532 177.1259 67 G 3.7108 8.1262 106.9836 47.9856 0.0000 175.2648 68 T 4.1841 7.6163 116.9918 66.2198 68.9294 176.9193 69 L 4.0715 8.2163 122.3938 58.0202 42.0350 179.2466 70 T 3.8603 8.2302 116.6676 66.1160 68.5009 175.0045 71 P 4.3626 0.0000 0.0000 65.2133 31.4950 178.1987 72 L 3.9404 7.5853 119.5393 58.1715 41.9971 178.7922 73 L 4.0228 8.1258 119.0660 57.8036 41.4367 179.6325 74 K 3.9478 7.9505 117.9281 59.4377 31.9731 179.5660 75 K 3.9982 7.9455 118.3349 59.4716 31.9422 179.5135 76 L 4.1454 8.1448 119.1416 57.2912 41.4222 179.3339 77 E 4.1401 8.1967 121.1294 58.7876 29.4671 178.5961 78 K 3.8424 8.0150 117.4094 59.6425 32.2500 178.5852 79 K 3.9137 7.8390 115.0976 55.8415 31.9797 176.3708 80 D 4.4060 8.0914 117.9207 55.5342 40.3470 173.7528 81 Y 4.8847 8.0264 116.7184 58.5820 39.6232 176.1821 82 V 5.0570 7.8167 110.4537 59.4913 36.0642 175.1987 83 V 4.5348 8.5016 114.5850 59.7437 35.6105 174.8446 84 R 5.0615 8.6390 122.8950 54.6778 32.1432 175.5307 85 T 4.5864 8.6908 116.5586 60.2063 71.3367 174.4217 86 R 4.1476 8.5766 125.6741 55.7088 30.0695 172.4024 *94 L 4.3578 8.2159 122.4274 53.7606 43.1268 176.0718 95 Q 4.9435 8.6477 120.5791 54.2177 32.6325 174.4436 96 I 5.1153 9.2478 123.7029 59.9144 40.2813 174.9560 97 S 4.9172 8.4578 119.2689 57.4005 67.0350 172.6059 98 L 5.0290 8.2977 120.0465 54.0524 42.8346 177.3890 99 T 4.2915 8.6987 114.0488 60.9270 70.6487 175.5483 100 E 4.0096 8.8426 120.3797 59.4447 29.2680 179.3140 101 Q 4.1109 8.1859 119.2747 59.1614 28.9173 178.2300 102 G 3.7032 8.7861 107.0148 48.0556 0.0000 175.6853 103 K 3.9501 8.3002 120.0097 58.9650 32.3043 179.0746 104 A 4.1195 8.1225 121.2147 55.0920 18.5026 179.4994 105 I 3.6733 8.1456 117.1733 63.5247 38.0721 177.9281 106 K 4.0178 7.6425 118.6912 58.7391 31.5282 178.5287 107 S 4.0696 7.6250 113.5967 60.8669 62.6336 173.9246 108 P 4.3858 0.0000 0.0000 65.8186 31.1628 178.3416 109 L 3.9028 7.7269 118.2589 57.5246 39.9877 179.1585 110 A 4.0464 7.8940 120.2506 55.3008 18.2667 179.4859 111 E 4.0875 8.0209 116.2878 59.1327 29.3103 179.7030 112 I 3.3434 7.7986 120.5286 64.2519 37.1743 178.2604 113 S 4.2741 7.5698 115.4365 61.0071 62.6327 177.0478 114 V 3.7056 7.7450 120.1438 65.9841 31.1347 177.9373 115 K 3.7938 7.7074 116.9204 59.4648 32.2266 179.1677 116 V 3.5436 7.7433 118.7277 65.7764 31.0826 177.9040 117 F 4.4653 8.3423 120.3951 61.5363 39.1518 176.8180 118 N 4.1335 8.3701 114.5417 55.2928 38.2874 176.0644 119 E 4.1173 7.5224 119.5933 56.7733 30.4862 176.3270 120 F 4.5361 6.9318 116.4901 56.8206 39.6980 175.8112 121 N 4.5874 8.6902 121.6893 53.0546 37.0802 174.0020 122 I 4.3713 7.5643 120.4123 58.7270 41.2333 175.0238 123 S 4.5828 9.0911 123.6397 57.4245 65.6446 175.1900 124 E 4.1590 8.6532 121.3634 59.7456 29.2107 179.6847 125 R 3.9784 7.9854 118.2489 59.2964 30.2241 178.3030 126 E 3.9649 8.4308 118.3849 59.1736 29.4216 178.9462 127 A 4.0258 8.2904 120.9736 55.3096 18.3983 179.4432 128 S 4.0388 8.1576 111.4681 61.7653 62.3452 176.2369 129 D 4.3380 8.0536 121.2276 57.4348 40.5054 178.7768 130 I 3.6670 7.7490 120.2549 64.4491 37.0098 178.2864 131 I 3.6800 8.1244 120.8785 64.5186 36.9407 177.7680 132 N 4.2692 8.3343 117.1458 56.9992 38.4544 177.2886 133 N 4.4601 8.4349 117.4407 56.2495 38.6019 177.5741 134 L 4.1717 8.4355 120.8605 57.3303 41.4919 178.8787 135 R 3.9131 8.3376 119.2623 59.7466 29.9438 177.7159 136 N 4.2968 8.1209 115.8128 56.9919 38.8656 176.4455 137 F 4.1372 8.2530 120.5369 60.9996 39.4399 176.7418 138 V 4.1461 7.8903 110.8760 64.1540 32.6324 177.7259 139 S 4.0594 10.0973 111.3453 61.8709 62.0505 175.6228 140 K 4.2547 8.0789 118.3531 57.5181 32.2788 177.2128 141 N 4.5079 7.4639 115.4438 52.8344 40.6783 174.4692 142 F 4.6107 8.5349 121.5431 57.7473 40.2423 174.1389 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 G 8.20 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 0.00 0.00 0.00 4 S 8.40 2.00 0.00 3.81 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 5 H 8.34 4.00 0.00 3.16 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 M 7.95 4.08 0.00 2.24 2.06 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 2.61 2.61 0.00 7 Y 7.49 4.26 0.00 3.16 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 8 L 7.68 4.09 0.00 1.69 1.76 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.74 4.24 0.00 4.11 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 10 K 8.11 4.04 0.00 2.15 1.90 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.68 7.81 11 Q 7.97 4.09 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 12 L 8.36 4.05 0.00 1.97 2.00 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.66 4.22 0.00 3.12 3.31 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 14 F 8.47 4.23 0.00 3.24 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 15 L 8.40 3.97 0.00 1.73 1.54 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.39 4.26 0.00 3.24 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 17 Y 8.09 4.08 0.00 3.04 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 18 V 7.48 2.84 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 0.81 0.00 0.00 0.26 0.00 0.00 19 S 7.75 3.89 0.00 3.93 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 20 S 7.98 4.04 0.00 3.97 3.99 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 21 K 7.56 3.64 0.00 1.61 1.70 0.00 1.47 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.24 1.34 7.81 22 E 7.89 4.06 0.00 2.04 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 2.31 2.41 0.00 23 I 8.03 4.00 1.94 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 1.48 1.00 1.18 0.00 0.00 24 I 7.80 3.27 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.25 0.68 0.00 0.00 25 K 7.89 3.86 0.00 2.03 1.94 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 26 K 7.99 3.97 0.00 1.96 1.75 0.00 0.61 0.00 0.00 1.52 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.60 7.81 27 Y 8.06 4.02 0.00 3.25 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 28 T 8.38 4.04 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 1.25 0.00 0.00 29 N 7.98 4.19 0.00 2.62 2.55 0.00 0.00 7.07 6.75 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 30 Y 7.51 4.22 0.00 3.12 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 31 L 8.64 4.45 0.00 1.78 2.06 1.04 0.94 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 32 K 7.99 3.88 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.86 1.60 7.81 33 E 7.53 4.02 0.00 1.90 1.56 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 1.95 2.18 0.00 34 Y 7.96 4.64 0.00 3.14 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 35 D 8.62 4.49 0.00 2.78 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 36 L 8.01 4.94 0.00 1.81 1.68 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.24 4.42 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 38 Y 8.61 4.19 0.00 3.10 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 39 T 8.11 3.81 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 1.19 0.00 0.00 40 G 8.20 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 41 Y 8.20 4.07 0.00 3.08 3.17 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 42 I 7.58 3.17 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.49 0.74 0.00 0.00 43 V 7.69 3.47 2.15 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 0.99 0.00 0.00 0.94 0.00 0.00 44 L 7.54 3.90 0.00 1.61 1.52 0.63 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.82 3.96 0.00 1.65 1.60 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 46 A 7.43 4.18 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 47 I 6.84 3.95 1.81 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 1.25 0.68 0.88 0.00 0.00 48 E 9.14 4.38 0.00 1.95 1.83 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 2.43 2.39 0.00 49 N 8.62 4.38 0.00 2.69 2.86 0.00 0.00 6.91 8.06 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 50 D 7.99 4.73 0.00 2.74 2.74 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 51 E 7.69 4.71 0.00 1.96 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 2.20 2.20 0.00 52 K 8.55 4.82 0.00 1.74 1.62 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.42 7.81 53 L 9.09 5.00 0.00 1.51 1.47 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.50 4.72 0.00 2.92 2.91 0.00 0.00 5.77 7.85 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 55 I 8.15 3.71 1.85 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 1.61 1.57 0.89 0.00 0.00 56 K 8.02 3.91 0.00 1.93 1.80 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.45 7.81 57 K 8.28 3.90 0.00 1.74 1.81 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.56 7.81 58 L 8.04 3.99 0.00 1.73 1.77 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.29 3.62 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 0.00 0.00 0.00 60 E 8.17 3.68 0.00 2.04 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 2.21 2.49 0.00 61 R 7.72 3.91 0.00 1.84 2.05 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 62 V 7.37 4.34 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 0.78 0.00 0.00 0.92 0.00 0.00 63 F 7.27 3.50 0.00 3.13 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 64 L 7.45 4.82 0.00 1.62 1.54 0.90 0.98 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 65 D 8.27 4.64 0.00 2.69 2.58 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 66 S 8.59 4.20 0.00 3.85 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 67 G 8.13 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 68 T 7.62 4.18 4.36 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 1.23 0.00 0.00 69 L 8.22 4.07 0.00 1.85 1.65 0.90 0.84 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 70 T 8.23 3.86 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 1.21 0.00 0.00 71 P 0.00 4.36 0.00 2.27 2.31 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 72 L 7.59 3.94 0.00 1.91 1.91 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.13 4.02 0.00 1.72 1.71 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.95 3.95 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.73 7.81 75 K 7.95 4.00 0.00 2.00 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 76 L 8.14 4.15 0.00 1.89 1.83 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.20 4.14 0.00 2.12 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 0.00 2.29 2.20 0.00 78 K 8.02 3.84 0.00 1.91 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 79 K 7.84 3.91 0.00 1.38 0.95 0.00 1.95 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.62 7.81 80 D 8.09 4.41 0.00 2.63 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 81 Y 8.03 4.88 0.00 3.07 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 82 V 7.82 5.06 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 0.87 0.00 0.00 0.92 0.00 0.00 83 V 8.50 4.53 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 0.99 0.00 0.00 0.94 0.00 0.00 84 R 8.64 5.06 0.00 1.67 1.83 0.00 3.14 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 85 T 8.69 4.59 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 86 R 8.58 4.15 0.00 1.85 1.78 0.00 3.30 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 *94 L 8.22 4.36 0.00 1.64 1.66 0.92 0.94 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 95 Q 8.65 4.94 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 96 I 9.25 5.12 1.85 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 1.28 0.62 0.90 0.00 0.00 97 S 8.46 4.92 0.00 3.84 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 98 L 8.30 5.03 0.00 1.54 1.62 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.70 4.29 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 1.25 0.00 0.00 100 E 8.84 4.01 0.00 2.02 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 0.00 2.41 2.32 0.00 101 Q 8.19 4.11 0.00 2.19 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.82 2.66 0.00 102 G 8.79 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 0.00 103 K 8.30 3.95 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.69 7.81 104 A 8.12 4.12 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 0.00 105 I 8.15 3.67 1.78 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.41 0.00 0.00 106 K 7.64 4.02 0.00 1.93 1.75 0.00 1.70 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.40 7.81 107 S 7.63 4.07 0.00 3.88 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 0.00 108 P 0.00 4.39 0.00 2.29 2.36 0.00 3.82 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 2.09 2.06 0.00 109 L 7.73 3.90 0.00 1.65 1.87 0.67 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.89 4.05 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 0.00 111 E 8.02 4.09 0.00 2.15 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 0.00 2.32 2.50 0.00 112 I 7.80 3.34 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.56 0.00 0.00 113 S 7.57 4.27 0.00 3.98 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 V 7.74 3.71 2.24 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 1.21 0.00 0.00 0.96 0.00 0.00 115 K 7.71 3.79 0.00 1.33 1.29 0.00 1.29 0.00 0.00 1.32 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.44 7.81 116 V 7.74 3.54 1.78 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 1.01 0.00 0.00 0.25 0.00 0.00 117 F 8.34 4.47 0.00 3.23 3.33 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 0.00 118 N 8.37 4.13 0.00 2.71 2.79 0.00 0.00 6.99 7.38 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 0.00 119 E 7.52 4.12 0.00 2.10 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 1.91 2.17 0.00 120 F 6.93 4.54 0.00 3.10 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 0.00 121 N 8.69 4.59 0.00 2.75 2.81 0.00 0.00 6.71 7.45 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 0.00 122 I 7.56 4.37 1.90 0.00 0.00 1.00 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 0.52 1.03 0.00 0.00 123 S 9.09 4.58 0.00 4.10 3.99 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 0.00 124 E 8.65 4.16 0.00 2.10 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 0.00 2.64 2.49 0.00 125 R 7.99 3.98 0.00 1.90 1.94 0.00 3.19 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 126 E 8.43 3.96 0.00 2.33 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 2.34 0.00 127 A 8.29 4.03 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 0.00 128 S 8.16 4.04 0.00 4.00 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 0.00 129 D 8.05 4.34 0.00 2.93 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 0.00 130 I 7.75 3.67 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.88 0.00 0.00 131 I 8.12 3.68 2.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.92 0.00 0.00 132 N 8.33 4.27 0.00 2.95 2.92 0.00 0.00 7.16 6.96 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 0.00 133 N 8.43 4.46 0.00 2.73 2.89 0.00 0.00 7.14 6.97 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 0.00 134 L 8.44 4.17 0.00 1.73 1.82 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.34 3.91 0.00 2.00 2.31 0.00 3.14 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 136 N 8.12 4.30 0.00 2.90 3.03 0.00 0.00 6.94 8.86 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 0.00 137 F 8.25 4.14 0.00 3.16 3.39 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 0.00 138 V 7.89 4.15 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 1.10 0.00 0.00 1.23 0.00 0.00 139 S 10.10 4.06 0.00 4.07 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 0.00 140 K 8.08 4.25 0.00 1.82 1.84 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.31 7.81 141 N 7.46 4.51 0.00 1.60 1.42 0.00 0.00 6.65 6.73 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 0.00 142 F 8.53 4.61 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.