NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1761 8.2531 123.5819 50.3178 20.7022 173.1999 3 G 3.6734 8.1806 111.7584 43.6136 0.0000 171.2436 4 D 4.8185 8.4985 122.3927 52.6328 44.2140 173.4132 5 T 4.8302 8.2965 116.6674 61.4319 70.3839 173.6035 6 T 4.5843 8.1196 111.9254 62.7310 69.6087 173.1488 7 I 4.7863 9.3059 123.7014 59.7146 42.2255 173.6535 8 T 5.3182 8.5241 122.5552 61.7193 71.5153 173.3605 9 I 4.7491 9.0590 118.8690 59.0397 41.5864 174.2440 10 V 4.9717 7.6314 122.7950 60.6655 33.8342 174.7575 11 G 4.1616 8.1418 113.7267 45.9444 0.0000 170.4857 12 N 5.6173 8.3697 116.7102 51.0325 41.9912 174.6479 13 L 4.6777 8.9348 124.1116 55.6625 42.2776 178.3945 14 T 4.2374 8.6001 112.6708 64.0732 69.6836 174.2155 15 A 4.5262 7.7360 122.2529 50.7395 22.0269 175.1255 16 D 4.5159 8.5529 119.3194 53.9618 41.3227 175.5483 17 P 4.1639 0.0000 0.0000 63.0627 31.8904 175.5102 18 E 4.4383 8.2728 123.9439 54.5937 30.6138 174.4369 19 L 4.6042 8.3623 129.8875 54.6925 43.3359 175.5791 20 R 4.5771 8.3358 120.6102 55.8526 33.5132 173.2673 21 F 5.0993 8.7998 117.2337 55.0246 42.3213 173.3297 22 T 4.7917 8.1773 109.6271 60.6686 71.8602 174.0370 23 S 4.1791 9.1188 116.6127 62.3436 62.8413 176.5195 24 S 4.1938 8.2220 114.2457 61.3560 62.5743 175.5777 25 G 4.0317 8.1335 105.4495 44.8942 0.0000 173.6362 26 A 4.1878 8.1523 123.8500 51.9577 19.1464 176.8995 27 A 3.9794 8.6223 124.9530 52.0954 20.1653 176.4071 28 V 4.3443 8.1993 119.3494 61.2768 35.5913 173.6572 29 V 5.0955 8.4072 126.6074 60.0345 34.6348 173.7240 30 N 5.5345 8.6322 123.6684 51.5124 42.1510 173.3333 31 F 5.2319 8.1998 116.7386 56.1165 42.6011 172.8739 32 T 5.1044 8.6842 114.4678 61.7734 72.1541 173.2595 33 V 4.7416 9.0546 125.6103 61.2772 33.9783 174.2961 34 A 4.3268 8.9341 130.7038 50.6444 20.1472 175.3752 35 S 4.9655 8.5884 117.6561 57.1756 65.2437 173.0999 36 T 4.8009 8.2806 116.7107 58.9479 70.2908 172.0011 37 P 4.2665 0.0000 0.0000 63.2530 32.0086 177.4646 38 R 4.4780 8.1869 119.5104 54.6987 29.4185 175.3062 39 I 4.2450 8.3415 125.7968 60.4432 38.8365 174.5675 40 Y 4.7303 8.5389 123.7227 56.4142 39.7282 174.6146 41 D 4.8301 8.7144 124.8578 53.2997 43.4264 174.6447 42 R 4.6440 8.4268 116.8432 54.0336 33.4941 174.9104 *45 G 3.9355 8.6550 107.7950 45.7103 0.0000 174.3332 46 E 5.1112 5.9633 113.4309 55.2699 35.1797 180.0094 *47 W 3.7090 8.6645 127.6529 56.5511 28.6680 173.6741 48 K 4.6279 7.7401 115.7739 54.1026 35.8261 178.9354 49 D 4.0030 8.5013 120.0081 56.2439 39.8178 174.1708 50 G 4.4786 9.1365 111.6961 43.5253 0.0000 172.4746 51 E 3.8103 8.6344 119.8221 56.5823 29.8559 177.4768 52 A 4.2125 8.6184 125.2336 52.1731 19.3417 176.1089 53 L 4.7063 9.1560 124.2199 53.2931 44.8741 175.3859 54 F 5.1102 8.9306 123.5548 55.9393 41.5891 174.0996 55 L 4.7379 8.5666 124.6189 52.6890 44.3260 176.0099 56 R 4.5742 8.4871 124.3005 56.0508 31.5373 174.6857 57 C 5.1745 8.7147 123.6051 57.8256 31.8680 172.5971 58 N 5.2714 8.7491 118.5686 51.4335 41.9008 173.3558 59 I 4.8530 8.4925 122.6993 59.1465 41.6085 174.1440 60 W 4.9420 9.0265 127.5602 55.4504 32.1417 177.4562 61 R 3.7608 8.7846 118.9145 57.0460 28.6842 178.0560 62 E 4.0068 8.9573 117.1288 60.7143 29.4320 178.8764 63 A 4.0173 8.0729 120.0241 54.9950 18.4992 179.4076 64 A 3.9247 7.9963 119.3606 55.3038 18.4783 179.6389 65 E 3.8854 8.1249 116.6054 59.7451 29.6078 179.2459 66 N 4.3456 8.3010 116.4368 56.1123 38.5790 177.6733 67 V 3.4437 7.7755 119.4028 65.9719 31.4604 177.6655 68 A 3.9303 7.6808 119.0133 55.4939 18.2170 178.9668 69 E 4.0129 8.0459 116.3897 58.8875 29.7518 178.5704 70 S 4.3991 7.8571 114.0682 59.5471 63.7846 174.7488 71 L 4.4851 7.5025 120.0460 53.7845 42.9516 175.4313 72 T 4.7311 7.7480 109.5167 59.5094 72.0785 173.2659 73 R 4.0274 9.6239 119.5475 57.6110 29.5463 177.6908 74 G 3.9263 8.8140 107.3275 45.6695 0.0000 173.9765 75 A 4.1479 7.5348 122.4614 51.8595 19.8388 176.5663 76 R 4.8910 8.5851 122.4428 55.5149 31.6756 175.5740 77 V 4.9648 9.3580 119.9793 59.5564 36.1227 174.8572 78 I 4.6868 9.1337 123.4220 59.8131 39.7729 174.7780 79 V 4.9794 9.2966 128.3865 61.1314 33.9974 174.4632 80 T 5.0365 9.0013 117.8937 59.8951 71.9287 174.3708 81 G 4.1542 7.7007 109.4587 46.0347 0.0000 171.5515 82 R 5.1678 7.3056 114.9486 54.1446 32.9247 175.1667 83 L 4.8204 8.4775 122.1808 54.8263 42.2751 176.5665 84 K 4.7590 9.3262 122.7223 54.5337 36.3634 174.5641 85 Q 5.1525 8.6362 122.5611 54.4099 31.4464 174.4444 86 R 4.8813 8.7683 121.7726 54.3851 33.7921 174.1401 87 S 4.6653 8.6172 113.5605 57.2149 63.6580 173.7610 88 F 4.3444 9.8824 128.6139 60.2413 40.2638 175.8101 *93 G 3.9520 7.8463 107.5134 45.5371 0.0000 170.4505 94 E 4.3266 8.8312 123.7378 57.0845 31.4122 176.4782 95 K 4.4619 7.8719 125.4314 55.2684 31.8273 176.7018 96 R 4.5003 8.1740 124.3377 56.6007 31.0100 173.7625 97 T 5.2941 8.4665 110.6740 60.1465 71.3496 174.0523 98 V 4.4559 8.4203 123.3187 59.8638 34.8250 174.6176 99 V 4.3364 8.5101 125.2463 62.8512 32.1626 174.7325 100 E 4.8978 9.3635 126.6477 54.5791 34.4458 174.4849 101 V 4.5302 8.7893 121.4637 61.6119 33.0804 175.4063 102 E 4.9644 9.7153 130.3573 54.4384 28.2111 174.4329 103 V 3.7189 7.6777 120.1579 62.9833 31.9273 174.2602 104 D 4.8947 9.7836 127.9892 55.5893 42.9575 176.2347 105 E 4.8880 7.9625 115.6552 54.9078 34.2225 174.3317 106 I 5.5409 7.6624 122.0531 59.3016 41.6313 173.6926 107 G 4.1227 8.2231 112.5444 44.9151 0.0000 170.1410 108 P 4.9702 0.0000 0.0000 61.4436 32.1854 176.5568 109 S 4.0135 8.8997 120.8965 58.2573 63.1754 174.5978 110 L 4.7888 8.3501 125.4454 54.7562 41.1573 178.0924 111 R 3.8444 7.5621 122.0642 58.6632 29.9918 176.8451 112 Y 4.9358 7.4791 111.6675 57.0022 39.2823 174.2243 113 A 4.5213 7.5732 121.8700 51.8273 21.8999 175.8258 114 T 4.5682 8.2030 109.0711 60.0000 71.5106 173.4080 115 A 4.4887 8.1106 125.3562 51.2721 21.9845 177.0280 116 K 4.3006 8.4720 123.2130 53.2701 31.5089 176.2906 117 V 4.0955 8.0494 124.9575 60.8246 32.5516 175.0892 118 N 4.7689 8.3501 123.8929 51.6044 40.8195 174.1497 119 K 4.2933 8.5998 125.3324 56.0386 33.3906 177.1343 120 A 4.3181 8.2632 121.5728 52.6622 19.1991 176.0293 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 2 A 8.25 4.18 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 3 G 8.18 3.67 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 0.00 0.00 0.00 4 D 8.50 4.82 0.00 2.57 2.53 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 5 T 8.30 4.83 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 6 T 8.12 4.58 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 1.21 0.00 0.00 7 I 9.31 4.79 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 1.23 1.45 0.92 0.00 0.00 8 T 8.52 5.32 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 1.22 0.00 0.00 9 I 9.06 4.75 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 0.91 0.00 0.00 10 V 7.63 4.97 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 1.18 0.00 0.00 0.93 0.00 0.00 11 G 8.14 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 0.00 0.00 0.00 12 N 8.37 5.62 0.00 2.62 2.77 0.00 0.00 7.45 6.90 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 13 L 8.93 4.68 0.00 1.55 1.76 0.69 0.32 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 14 T 8.60 4.24 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 1.43 0.00 0.00 15 A 7.74 4.53 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 16 D 8.55 4.52 0.00 2.67 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 17 P 0.00 4.16 0.00 1.96 1.89 0.00 3.70 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 18 E 8.27 4.44 0.00 1.92 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 2.21 2.24 0.00 19 L 8.36 4.60 0.00 1.58 1.47 0.59 0.88 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 20 R 8.34 4.58 0.00 1.88 1.92 0.00 2.72 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 1.37 1.44 0.00 21 F 8.80 5.10 0.00 2.99 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 22 T 8.18 4.79 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 1.38 0.00 0.00 23 S 9.12 4.18 0.00 3.93 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 24 S 8.22 4.19 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 26 A 8.15 4.19 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 27 A 8.62 3.98 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 28 V 8.20 4.34 1.61 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 -0.23 0.00 0.00 0.07 0.00 0.00 29 V 8.41 5.10 2.11 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 1.47 0.00 0.00 0.85 0.00 0.00 30 N 8.63 5.53 0.00 2.57 2.54 0.00 0.00 6.63 8.13 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 31 F 8.20 5.23 0.00 3.06 3.07 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 32 T 8.68 5.10 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 1.46 0.00 0.00 33 V 9.05 4.74 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 0.95 0.00 0.00 1.15 0.00 0.00 34 A 8.93 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.59 4.97 0.00 3.82 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 36 T 8.28 4.80 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 1.12 0.00 0.00 37 P 0.00 4.27 0.00 2.20 2.09 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 38 R 8.19 4.48 0.00 1.83 1.78 0.00 3.26 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 39 I 8.34 4.25 1.90 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 1.24 0.69 0.93 0.00 0.00 40 Y 8.54 4.73 0.00 2.86 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 41 D 8.71 4.83 0.00 2.78 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 42 R 8.43 4.64 0.00 1.81 1.73 0.00 3.30 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 *45 G 8.66 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 0.00 0.00 0.00 46 E 5.96 5.11 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 *47 W 8.66 3.71 0.00 2.50 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 0.00 0.00 0.00 0.00 48 K 7.74 4.63 0.00 1.83 1.64 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.28 7.81 49 D 8.50 4.00 0.00 2.78 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 0.00 0.00 0.00 0.00 50 G 9.14 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 0.00 0.00 0.00 0.00 51 E 8.63 3.81 0.00 1.98 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 0.00 2.34 2.31 0.00 52 A 8.62 4.21 1.14 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 0.00 0.00 53 L 9.16 4.71 0.00 1.65 1.60 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.93 5.11 0.00 2.85 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 55 L 8.57 4.74 0.00 1.58 1.53 0.91 0.68 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 56 R 8.49 4.57 0.00 1.86 1.71 0.00 3.08 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00 57 C 8.71 5.17 0.00 1.24 2.38 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 58 N 8.75 5.27 0.00 2.77 2.55 0.00 0.00 6.45 6.84 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 59 I 8.49 4.85 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.85 1.14 0.00 0.00 60 W 9.03 4.94 0.00 3.18 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 61 R 8.78 3.76 0.00 2.17 1.93 0.00 3.20 0.00 0.00 3.22 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 62 E 8.96 4.01 0.00 2.09 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 2.44 2.50 0.00 63 A 8.07 4.02 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 64 A 8.00 3.92 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 65 E 8.12 3.89 0.00 2.17 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 2.39 2.63 0.00 66 N 8.30 4.35 0.00 2.91 2.85 0.00 0.00 6.69 7.29 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 67 V 7.78 3.44 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 0.55 0.00 0.00 0.98 0.00 0.00 68 A 7.68 3.93 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 69 E 8.05 4.01 0.00 2.06 2.11 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 2.31 2.34 0.00 70 S 7.86 4.40 0.00 3.84 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 71 L 7.50 4.49 0.00 1.41 1.46 0.72 0.75 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 72 T 7.75 4.73 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 1.19 0.00 0.00 73 R 9.62 4.03 0.00 1.83 2.22 0.00 3.13 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 74 G 8.81 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 75 A 7.53 4.15 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 76 R 8.59 4.89 0.00 2.09 1.87 0.00 3.35 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 77 V 9.36 4.96 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 0.81 0.00 0.00 0.99 0.00 0.00 78 I 9.13 4.69 1.87 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 1.10 0.74 0.91 0.00 0.00 79 V 9.30 4.98 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 1.15 0.00 0.00 1.10 0.00 0.00 80 T 9.00 5.04 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 1.22 0.00 0.00 81 G 7.70 4.15 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 0.00 0.00 0.00 82 R 7.31 5.17 0.00 1.89 1.99 0.00 2.77 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 83 L 8.48 4.82 0.00 1.58 1.65 0.92 0.94 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 84 K 9.33 4.76 0.00 1.64 1.67 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.35 7.81 85 Q 8.64 5.15 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 86 R 8.77 4.88 0.00 1.96 2.04 0.00 2.84 0.00 0.00 3.67 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 87 S 8.62 4.67 0.00 3.89 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 88 F 9.88 4.34 0.00 3.09 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 *93 G 7.85 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 0.00 0.00 0.00 94 E 8.83 4.33 0.00 1.87 1.88 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 2.14 2.26 0.00 95 K 7.87 4.46 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.36 7.81 96 R 8.17 4.50 0.00 1.61 1.80 0.00 3.22 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 97 T 8.47 5.29 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 1.24 0.00 0.00 98 V 8.42 4.46 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 0.63 0.00 0.00 0.83 0.00 0.00 99 V 8.51 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 0.79 0.00 0.00 0.93 0.00 0.00 100 E 9.36 4.90 0.00 1.88 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 2.16 2.36 0.00 101 V 8.79 4.53 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 0.99 0.00 0.00 0.91 0.00 0.00 102 E 9.72 4.96 0.00 1.99 1.92 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 2.35 2.41 0.00 103 V 7.68 3.72 2.32 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 0.83 0.00 0.00 1.02 0.00 0.00 104 D 9.78 4.89 0.00 2.62 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 0.00 105 E 7.96 4.89 0.00 2.01 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 0.00 2.25 2.41 0.00 106 I 7.66 5.54 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.90 0.00 0.00 107 G 8.22 4.12 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 0.00 0.00 0.00 108 P 0.00 4.97 0.00 1.93 1.98 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 109 S 8.90 4.01 0.00 3.87 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 0.00 110 L 8.35 4.79 0.00 1.63 1.63 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.56 3.84 0.00 1.48 1.45 0.00 2.95 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 112 Y 7.48 4.94 0.00 2.99 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 0.00 113 A 7.57 4.52 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 0.00 114 T 8.20 4.57 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 0.00 115 A 8.11 4.49 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 0.00 116 K 8.47 4.30 0.00 1.78 1.65 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 0.98 7.81 117 V 8.05 4.10 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 0.92 0.00 0.00 0.92 0.00 0.00 118 N 8.35 4.77 0.00 2.65 2.64 0.00 0.00 7.11 6.68 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 0.00 119 K 8.60 4.29 0.00 1.79 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.44 7.81 120 A 8.26 4.32 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 * Residues marked with a * may have inaccurate shift predictions.