NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4189 8.2985 121.7429 56.0424 31.1988 174.6521 3 A 4.5328 8.7274 129.0074 50.9275 19.5880 171.0562 4 V 4.2734 8.9755 121.6927 61.1992 33.6439 173.6449 5 K 4.6863 8.6092 128.0693 55.0475 34.4321 175.0093 6 T 4.6679 9.3535 122.1736 60.4129 70.2859 173.0465 7 D 4.7569 8.6182 124.8844 53.4955 39.9139 176.8337 8 R 4.3475 8.1507 118.1188 56.4182 30.1974 175.7367 9 A 4.6764 7.4338 119.4846 49.5796 22.1882 174.4986 10 P 4.1374 0.0000 0.0000 62.9763 31.7775 176.6584 11 A 3.9799 8.4792 125.7215 51.9614 18.8821 177.5337 12 A 3.9821 8.0836 124.4213 50.7634 17.0778 176.8276 13 I 4.0735 9.2772 122.1599 63.5547 36.9673 176.4550 14 G 4.0117 7.9700 113.6623 44.0460 0.0000 169.3567 15 P 4.6917 0.0000 0.0000 61.8774 31.0863 175.1322 16 Y 4.8135 7.5012 114.2229 56.0546 41.0145 173.0645 17 A 4.6615 8.2230 122.5263 49.9718 21.7966 176.4795 18 Q 4.3391 8.6272 119.2929 59.2853 29.9870 176.5872 19 A 4.9338 7.4245 117.0519 51.5860 22.6790 175.6544 20 V 4.9761 8.2844 112.0999 59.6130 35.8865 175.1052 21 K 5.0578 9.1306 125.0104 55.6518 33.1437 176.3977 22 A 4.4341 9.9050 125.1424 52.7267 22.4346 176.1570 23 G 4.2539 10.2884 108.6773 46.4533 0.0000 174.6269 24 G 3.8134 8.6440 106.7528 44.5520 0.0000 173.2236 25 F 5.2116 8.5448 117.9844 55.3986 43.5143 174.0824 26 V 4.7830 8.8578 119.6406 61.3167 34.3407 174.1102 27 F 4.9520 9.1844 127.1730 56.0093 40.4743 174.7881 28 V 4.6926 8.7231 125.3845 61.4487 32.9084 175.8196 29 S 4.4711 9.1622 124.6747 58.1288 63.7558 174.4500 30 G 3.8763 8.6672 109.5748 46.5615 0.0000 172.7229 31 Q 4.9978 9.2402 124.9085 54.3376 31.2704 174.7988 32 I 5.0775 8.0847 114.9527 57.6979 41.3902 174.4390 33 P 4.7712 0.0000 0.0000 62.8761 28.2199 175.6595 34 L 5.1591 7.5049 118.6391 52.5115 45.7699 177.1504 35 A 4.3107 8.5051 125.9190 50.9814 19.1011 176.5364 36 P 4.3691 0.0000 0.0000 65.6598 31.4119 177.8765 37 D 4.4159 7.9658 115.9223 54.0905 39.7148 176.9029 38 G 4.1013 8.2431 107.7370 45.1320 0.0000 174.3602 39 S 4.3740 8.0902 115.0821 57.9516 64.5180 173.3508 40 L 4.4067 8.4787 124.6059 55.1415 42.8014 176.2481 41 V 4.2417 8.3544 126.7557 61.4520 32.2402 175.1611 42 E 4.3183 9.1952 127.6791 55.1268 30.8200 175.3031 43 G 4.1456 8.5197 106.0241 43.0793 0.0000 173.1306 44 D 4.6245 8.3425 120.7176 52.6831 40.8285 176.9850 45 I 3.7253 8.3737 119.7683 64.8792 36.9873 178.2797 46 R 4.0630 8.3278 117.9790 59.6321 29.5703 179.0233 47 V 3.6394 7.6829 116.7824 66.1435 31.5214 178.1476 48 Q 4.0444 8.0921 117.5469 59.3463 28.4099 178.7145 49 T 4.0390 9.0447 116.2782 66.5726 68.5076 176.0118 50 E 4.0726 8.1616 120.7230 59.0418 29.8500 178.6387 51 R 4.0517 7.6635 118.4747 59.2638 30.1774 179.4302 52 V 3.7781 7.6610 115.4499 63.8541 31.6260 177.2118 *54 E 4.1271 8.1474 118.2525 55.9889 31.5669 177.9646 55 N 4.3051 8.3890 116.2601 56.2626 38.4979 177.3111 56 L 3.9706 7.9311 120.3110 57.7041 41.7377 179.3351 57 K 3.7742 7.9812 118.6623 59.5478 32.0748 178.3583 58 A 3.9575 8.0899 120.8018 55.1073 18.4453 179.7424 59 V 3.5316 7.9507 116.7885 66.1827 31.6858 178.0566 60 L 4.0163 8.2509 119.0554 57.9462 41.4787 179.4191 61 E 4.0859 8.3423 118.0822 59.5516 29.2474 179.3513 62 A 4.1886 7.9447 118.9427 54.7166 18.4184 178.5162 63 A 4.3920 7.5851 116.6458 51.7461 18.7146 177.5840 64 G 3.9222 8.3392 106.1059 46.7907 0.0000 174.5221 65 S 4.5901 8.0475 115.8534 56.9521 62.7959 173.0955 66 G 3.9979 7.9799 107.4889 45.1787 0.0000 173.0052 67 L 4.0709 7.7605 118.6813 57.5167 41.6567 179.7497 68 S 4.3147 8.0341 111.3973 60.0793 63.4212 174.7466 69 R 4.4614 7.6610 119.9767 55.7900 30.1586 175.6016 70 V 4.1487 7.5734 119.5982 62.9302 32.0602 176.0795 71 V 4.3745 8.7703 119.9388 61.9941 33.9669 175.4106 72 Q 5.2141 7.7627 120.7362 55.0171 32.4634 173.0765 73 T 5.1354 8.8455 115.1629 60.2668 72.9430 172.8939 74 T 4.5704 9.1952 120.7140 62.2290 71.2606 172.7062 75 C 4.8892 8.8085 125.7495 57.9110 30.4743 173.0372 76 F 5.3197 9.0210 123.4261 55.6559 41.1988 174.8245 77 L 5.1882 9.1410 123.1027 52.9078 44.8230 177.1331 78 A 4.3342 8.6252 122.4292 53.4240 19.2717 176.9674 79 D 4.2707 7.3987 113.0713 54.0478 43.9277 174.9234 *81 E 4.2773 8.7545 115.4480 56.5795 31.5006 176.6975 82 D 4.7096 8.2296 117.8498 54.3843 40.9963 177.7802 83 F 4.1908 8.2429 122.5103 61.0489 39.4024 174.5390 84 P 4.4573 0.0000 0.0000 65.9186 31.1209 178.6589 85 G 3.6314 8.0645 103.4843 47.6734 0.0000 175.0673 86 F 4.1442 8.2610 123.1113 61.1401 39.4251 176.5255 87 N 3.5589 8.3461 117.3651 56.3867 38.3240 176.0642 88 E 3.8071 7.7388 119.3511 59.4844 30.0053 178.7509 89 V 3.7381 7.5082 117.5527 66.0460 31.2458 177.0354 90 Y 4.0387 8.0227 119.3943 60.9487 38.3154 178.2766 91 A 4.1306 8.3014 120.0301 54.8094 18.4075 179.5593 92 R 3.8457 7.7491 116.4614 59.4300 30.2257 177.6226 93 Y 3.9630 7.3704 113.5069 58.8031 38.3773 175.5450 94 F 4.9297 7.7265 117.6153 56.0472 41.1971 174.9732 95 T 4.6258 8.1786 118.0918 60.8121 72.1069 172.3832 96 P 3.7685 0.0000 0.0000 61.6018 31.8411 174.7568 97 P 4.2647 0.0000 0.0000 62.2623 31.7371 176.2085 98 Y 4.5631 8.1810 121.0519 57.2649 38.5537 174.0069 99 P 4.6390 0.0000 0.0000 62.3645 32.4919 176.1976 100 A 4.3652 8.8807 124.0166 52.2179 19.6383 176.6995 101 R 5.1029 8.3294 118.6701 54.7266 33.9895 174.0912 102 A 4.6840 8.5365 125.2065 50.4869 22.1661 175.1006 103 T 4.9525 8.4270 118.6069 61.8980 71.9624 173.6130 104 V 4.4907 8.5736 123.3433 61.7090 35.8172 172.4167 105 A 5.1780 8.5062 126.4967 50.5210 20.4404 176.7097 106 V 4.3400 8.6008 116.0815 59.1483 34.4989 176.4941 107 K 3.9865 8.7133 122.1473 59.2235 32.1372 176.4890 108 A 4.5943 7.3857 117.4555 51.0806 21.8698 174.8394 109 L 4.7814 8.0038 118.9043 51.6267 45.3701 174.5708 110 P 4.1875 0.0000 0.0000 64.5968 31.6692 176.7250 111 R 3.7633 9.4956 118.3800 57.3345 27.7362 176.9977 112 G 3.8888 7.9158 102.3492 46.0256 0.0000 174.8457 113 V 3.7930 7.6200 119.0263 63.0586 32.1423 175.7994 114 R 4.7179 8.7563 118.4069 56.0851 30.8203 175.9750 115 V 5.0191 7.4816 118.6197 60.6409 34.0432 173.4446 116 E 5.0199 9.4038 124.1362 54.6989 33.5136 174.0750 117 V 5.0560 8.8254 124.9669 61.3230 35.0951 173.8691 118 A 5.3511 8.8777 129.3746 50.6926 22.3614 174.5457 119 C 5.1365 8.4157 112.0171 57.3430 34.0104 172.8340 120 V 4.8202 9.2069 118.9614 61.1237 34.1802 174.1589 121 A 5.2805 8.8188 128.1829 49.8596 23.0875 174.6952 122 L 4.2403 8.7091 119.5719 54.3071 42.3689 177.5252 123 A 4.2964 8.5470 125.4629 51.6102 19.8165 177.5687 124 E 4.1545 8.4514 117.3200 56.5514 29.9177 176.4895 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 E 8.30 4.42 0.00 2.10 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 2.29 2.35 0.00 3 A 8.73 4.53 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 4 V 8.98 4.27 2.19 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 0.80 0.00 0.00 1.01 0.00 0.00 5 K 8.61 4.69 0.00 1.73 1.63 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.36 7.81 6 T 9.35 4.67 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 1.31 0.00 0.00 7 D 8.62 4.76 0.00 2.79 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 8 R 8.15 4.35 0.00 1.81 1.99 0.00 3.15 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 9 A 7.43 4.68 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 10 P 0.00 4.14 0.00 2.11 2.09 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.41 0.00 11 A 8.48 3.98 1.22 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 12 A 8.08 3.98 0.59 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 0.00 0.00 13 I 9.28 4.07 1.93 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 1.55 0.93 0.93 0.00 0.00 14 G 7.97 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 0.00 0.00 0.00 15 P 0.00 4.69 0.00 2.13 2.12 0.00 3.89 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 2.07 2.12 0.00 16 Y 7.50 4.81 0.00 3.21 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 17 A 8.22 4.66 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 18 Q 8.63 4.34 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 19 A 7.42 4.93 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 20 V 8.28 4.98 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 0.90 0.00 0.00 1.06 0.00 0.00 21 K 9.13 5.06 0.00 1.66 1.80 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.44 7.81 22 A 9.91 4.43 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 23 G 10.29 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 0.00 0.00 0.00 0.00 24 G 8.64 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 25 F 8.54 5.21 0.00 2.75 2.39 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 26 V 8.86 4.78 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 1.03 0.00 0.00 0.94 0.00 0.00 27 F 9.18 4.95 0.00 3.07 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 28 V 8.72 4.69 2.29 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 1.04 0.00 0.00 1.00 0.00 0.00 29 S 9.16 4.47 0.00 4.06 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 30 G 8.67 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 0.00 0.00 0.00 31 Q 9.24 5.00 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 32 I 8.08 5.08 1.89 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 1.36 0.56 0.97 0.00 0.00 33 P 0.00 4.77 0.00 2.12 2.08 0.00 3.56 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.16 0.00 34 L 7.50 5.16 0.00 1.60 1.54 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.51 4.31 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 36 P 0.00 4.37 0.00 2.05 2.34 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 37 D 7.97 4.42 0.00 2.79 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 38 G 8.24 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 0.00 0.00 0.00 39 S 8.09 4.37 0.00 3.92 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 40 L 8.48 4.41 0.00 1.69 1.62 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.35 4.24 2.20 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 0.85 0.00 0.00 0.94 0.00 0.00 42 E 9.20 4.32 0.00 2.01 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 2.29 2.31 0.00 43 G 8.52 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 44 D 8.34 4.62 0.00 2.91 2.86 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 45 I 8.37 3.73 1.96 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 1.77 0.78 1.01 0.00 0.00 46 R 8.33 4.06 0.00 2.14 2.03 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 47 V 7.68 3.64 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 1.10 0.00 0.00 0.95 0.00 0.00 48 Q 8.09 4.04 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 49 T 9.04 4.04 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 1.33 0.00 0.00 50 E 8.16 4.07 0.00 2.13 2.19 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 2.37 2.47 0.00 51 R 7.66 4.05 0.00 1.98 2.08 0.00 3.21 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 1.64 1.69 0.00 52 V 7.66 3.78 2.31 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 1.15 0.00 0.00 1.05 0.00 0.00 *54 E 8.15 4.13 0.00 2.16 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 2.42 2.29 0.00 55 N 8.39 4.31 0.00 2.90 2.88 0.00 0.00 7.03 7.52 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 56 L 7.93 3.97 0.00 1.62 1.73 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.98 3.77 0.00 1.71 1.96 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.50 7.81 58 A 8.09 3.96 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 59 V 7.95 3.53 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 1.07 0.00 0.00 1.04 0.00 0.00 60 L 8.25 4.02 0.00 1.90 1.81 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.34 4.09 0.00 2.23 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 2.32 2.40 0.00 62 A 7.94 4.19 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 63 A 7.59 4.39 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 64 G 8.34 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 65 S 8.05 4.59 0.00 3.80 3.68 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 66 G 7.98 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 0.00 0.00 0.00 67 L 7.76 4.07 0.00 1.63 1.59 0.84 0.53 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 68 S 8.03 4.31 0.00 3.97 3.98 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 0.00 0.00 0.00 69 R 7.66 4.46 0.00 1.92 1.95 0.00 3.43 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 70 V 7.57 4.15 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 0.85 0.00 0.00 1.18 0.00 0.00 71 V 8.77 4.37 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 0.70 0.00 0.00 1.14 0.00 0.00 72 Q 7.76 5.21 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 T 8.85 5.14 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 1.14 0.00 0.00 74 T 9.20 4.57 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 0.74 0.00 0.00 75 C 8.81 4.89 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.02 5.32 0.00 2.95 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 77 L 9.14 5.19 0.00 1.45 1.46 0.91 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.63 4.33 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 79 D 7.40 4.27 0.00 2.71 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 *81 E 8.75 4.28 0.00 2.20 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 0.00 2.51 2.30 0.00 82 D 8.23 4.71 0.00 2.91 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 83 F 8.24 4.19 0.00 3.16 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 84 P 0.00 4.46 0.00 2.23 2.15 0.00 3.86 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 85 G 8.06 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 4.14 0.00 3.02 3.16 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 87 N 8.35 3.56 0.00 1.64 2.36 0.00 0.00 6.94 5.12 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 88 E 7.74 3.81 0.00 2.05 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 2.30 2.30 0.00 89 V 7.51 3.74 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 1.14 0.00 0.00 1.10 0.00 0.00 90 Y 8.02 4.04 0.00 2.41 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 91 A 8.30 4.13 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 92 R 7.75 3.85 0.00 1.50 1.43 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 93 Y 7.37 3.96 0.00 2.27 2.51 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 94 F 7.73 4.93 0.00 3.04 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 95 T 8.18 4.63 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 1.11 0.00 0.00 96 P 0.00 3.77 0.00 1.82 1.69 0.00 3.44 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.23 0.00 97 P 0.00 4.26 0.00 2.03 1.98 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 98 Y 8.18 4.56 0.00 3.02 2.86 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 99 P 0.00 4.64 0.00 1.77 1.93 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.30 0.00 100 A 8.88 4.37 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 0.00 101 R 8.33 5.10 0.00 1.73 1.69 0.00 2.77 0.00 0.00 2.78 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 102 A 8.54 4.68 1.09 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 0.00 0.00 103 T 8.43 4.95 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 1.25 0.00 0.00 104 V 8.57 4.49 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 0.76 0.00 0.00 0.89 0.00 0.00 105 A 8.51 5.18 1.21 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 0.00 0.00 0.00 106 V 8.60 4.34 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 0.74 0.00 0.00 1.02 0.00 0.00 107 K 8.71 3.99 0.00 1.69 1.80 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 108 A 7.39 4.59 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 0.00 109 L 8.00 4.78 0.00 1.85 1.51 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.19 0.00 2.13 1.94 0.00 3.73 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 2.04 2.04 0.00 111 R 9.50 3.76 0.00 1.89 1.96 0.00 3.37 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 112 G 7.92 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.62 3.79 2.30 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 0.86 0.00 0.00 0.95 0.00 0.00 114 R 8.76 4.72 0.00 1.94 2.14 0.00 2.90 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 115 V 7.48 5.02 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 0.73 0.00 0.00 0.94 0.00 0.00 116 E 9.40 5.02 0.00 2.06 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 2.35 2.30 0.00 117 V 8.83 5.06 2.28 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 1.26 0.00 0.00 1.22 0.00 0.00 118 A 8.88 5.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.42 5.14 0.00 3.28 3.11 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 0.00 120 V 9.21 4.82 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 0.68 0.00 0.00 0.95 0.00 0.00 121 A 8.82 5.28 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 0.00 122 L 8.71 4.24 0.00 1.44 1.43 0.84 0.10 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 0.00 123 A 8.55 4.30 1.18 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 0.00 0.00 124 E 8.45 4.15 0.00 2.07 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 2.19 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.