NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3772 8.3049 120.3449 55.7658 32.8766 175.9495 2 D 4.5398 9.2547 114.3869 53.8219 41.5847 175.2584 3 K 4.5233 8.1428 119.4205 53.3439 33.4741 173.0537 4 P 4.3185 0.0000 0.0000 62.7862 32.1071 177.4699 5 K 4.5413 8.4585 122.8757 56.8663 31.7122 177.6418 6 R 4.2261 8.0408 117.9967 56.0504 30.7928 177.9133 7 K 4.1400 8.4571 118.0695 57.5592 32.6984 176.6910 8 E 4.8231 7.4226 117.7723 54.9786 32.4676 173.8424 9 A 4.5692 7.9721 121.3166 51.5512 22.9616 174.8725 10 V 4.6586 8.3244 118.4267 61.3062 34.3042 174.7227 11 I 4.5942 8.5990 128.5974 60.5377 38.6191 174.8643 12 I 5.2120 8.6400 126.7225 59.9940 40.7346 174.6315 13 M 4.8932 9.6325 124.5545 53.9267 36.6987 173.8146 14 N 5.3459 8.9158 117.5746 51.7044 43.1862 173.5486 15 V 4.6434 8.5999 123.9041 61.3060 33.3027 174.3112 16 A 4.9660 8.9327 128.8584 50.3402 23.0769 176.5225 17 A 4.3530 7.7355 120.7309 51.7969 20.2858 177.4560 18 H 4.3118 8.7918 111.5012 55.6840 29.5432 174.6320 19 H 4.1775 8.5669 121.5863 58.0008 30.0606 175.6875 20 G 3.9118 8.8459 113.6254 45.3339 0.0000 173.1028 21 S 4.7454 7.6010 114.1559 56.4456 66.3284 173.1622 22 E 4.9151 8.4405 122.0172 54.4745 33.1201 175.4345 23 L 4.3899 8.6558 122.6823 53.7893 43.6033 176.0038 24 N 4.2727 8.6277 121.6145 53.4278 39.8801 175.9995 25 G 3.5078 8.2538 112.8571 47.8969 0.0000 175.9804 26 E 3.9905 8.0934 121.0158 59.3427 29.6423 179.5825 27 L 4.0025 7.7944 118.3849 57.2800 41.8093 179.2034 28 L 3.8722 8.2030 120.9921 58.1539 42.2007 178.8787 29 L 3.7767 8.5435 119.1547 57.8672 41.6056 179.3332 30 N 4.3053 8.2987 116.6405 56.2599 38.2310 177.6118 31 S 4.0749 7.6844 114.4433 61.4201 63.4348 176.2893 32 I 3.4026 7.3482 123.1473 64.0572 36.7910 178.4690 33 Q 4.0337 7.7664 118.7024 59.0683 28.3444 178.7821 34 Q 4.1477 7.9933 117.3614 57.9780 28.7595 177.4874 35 A 4.5227 7.5820 120.3269 51.9049 18.6910 177.8594 36 G 3.9132 8.0413 105.9150 45.8501 0.0000 174.1252 37 F 4.2807 8.2222 117.1357 56.9673 40.2106 174.8851 38 I 4.6490 8.2525 122.1077 59.0978 40.2648 174.5729 39 F 4.0184 9.3110 129.0871 58.8359 39.5835 174.6272 40 G 3.9700 7.5826 113.4906 44.4801 0.0000 173.0327 41 D 4.6085 8.1016 118.0821 55.8156 41.1688 177.6770 42 M 3.2408 9.1165 122.1014 56.4502 29.8178 176.2312 43 N 4.3001 8.0674 113.6452 54.0597 36.7848 173.4146 44 I 5.1497 6.9773 107.8900 59.4849 42.1989 173.5763 45 Y 4.4750 8.5784 121.0965 57.5242 39.2895 174.2906 46 H 4.8890 9.0868 122.2341 54.0079 31.2488 173.6702 47 R 4.3096 7.9110 123.9089 54.8719 31.5180 175.4928 48 H 4.8444 8.3568 122.9723 53.6840 30.4022 175.0188 49 L 4.1711 8.7095 121.4896 58.4869 42.1158 177.5208 50 S 4.7043 7.9524 114.4024 56.4880 64.2086 173.2184 51 P 4.4774 0.0000 0.0000 64.3627 30.8045 176.5050 52 D 4.5172 8.0062 118.7580 54.0031 41.2915 177.5837 53 G 3.6509 7.9434 107.1618 45.7752 0.0000 175.1435 54 S 4.1071 7.5977 116.8345 60.6112 63.1090 174.9504 55 G 4.0755 7.6604 107.0437 43.9390 0.0000 171.3193 56 P 4.6776 0.0000 0.0000 61.7390 33.5571 174.8700 57 A 4.1278 8.1264 121.7461 51.6924 18.0400 177.5323 58 L 4.4641 7.9640 123.4497 56.2169 43.1288 176.6544 59 F 4.8995 6.7829 111.2383 56.1593 41.3886 173.1667 60 S 5.0091 8.1636 115.0036 56.8553 67.7061 172.3994 61 L 5.2554 9.0209 121.1395 53.8257 44.7728 175.2489 62 A 5.2850 9.8668 127.1855 50.1279 23.2672 175.0216 63 N 4.4732 8.6863 116.8336 53.1488 39.4698 176.9484 64 M 4.3349 8.6308 119.3583 57.2325 32.5452 177.1223 65 V 3.9576 7.5806 119.5567 61.2481 32.2637 175.3932 66 K 4.2859 8.5144 127.1116 56.2254 32.0925 174.9459 67 P 4.4121 0.0000 0.0000 63.0220 31.2692 177.3210 68 G 3.9601 8.9153 107.3419 46.4744 0.0000 174.0902 69 T 4.7094 6.9459 110.5015 60.5666 70.6053 173.6776 70 F 4.8856 8.7458 119.9293 55.8322 41.9358 175.1736 71 D 5.0392 8.3164 119.5294 51.8102 44.6213 175.1339 72 P 4.3630 0.0000 0.0000 65.3797 31.2870 176.7748 73 E 4.4563 8.0597 117.4306 56.6674 29.1943 177.3887 74 M 3.9413 8.3370 116.1842 56.0709 31.5894 176.9813 75 K 4.4664 7.9647 118.0187 57.5634 33.0538 177.2574 76 D 4.9127 7.8528 117.5271 52.3769 42.7261 173.2318 77 F 5.1297 7.7579 116.7608 56.0734 42.0049 174.2492 78 T 4.4403 8.2411 108.2268 60.3808 71.8184 172.9762 79 T 4.7097 7.8905 115.1214 60.2548 71.0650 172.7303 80 P 4.4131 0.0000 0.0000 65.7079 31.8209 175.7095 81 G 4.2334 6.7913 102.5381 46.3510 0.0000 172.9759 82 V 4.8441 8.3487 113.3868 59.9044 36.6267 174.8716 83 T 5.0548 9.9409 119.1607 62.0324 71.2240 173.2726 84 I 4.9181 9.0311 128.0051 59.5597 39.7149 174.8835 85 F 5.4536 8.3625 120.2061 55.9690 42.2484 172.9240 86 M 5.0853 9.3432 118.7834 54.1429 35.6370 173.6727 87 Q 4.7401 9.0976 125.3453 55.3934 29.6652 175.5862 88 V 4.6196 7.7617 118.0593 58.9124 34.0474 174.4454 89 P 4.9083 0.0000 0.0000 62.1684 31.9271 176.3857 90 S 4.8801 8.4061 117.9371 56.5618 65.2854 173.4085 91 Y 4.0870 8.3293 123.2262 58.8178 39.6776 177.2381 92 G 3.4152 7.3769 111.9205 45.2052 0.0000 172.9108 93 D 4.5867 8.3409 121.2922 53.0620 42.2421 177.5159 94 E 4.0569 8.7753 127.9975 59.6099 29.5862 179.3879 95 L 4.0733 8.9076 119.4336 57.7772 41.5669 179.4947 96 Q 4.0581 8.1022 117.6719 58.9074 28.6899 178.1320 97 N 4.1856 8.2593 117.6349 56.1421 38.6737 177.1195 98 F 3.8492 8.1529 121.9693 61.1548 39.4472 177.3031 99 K 3.9046 8.0528 117.7301 59.5317 31.8061 179.2856 100 L 4.0924 7.9767 119.3670 57.9482 41.4079 179.4706 101 M 3.8855 7.3699 119.9118 57.7867 31.8318 178.8882 102 L 3.7673 7.1737 118.4214 57.6916 41.7294 179.5485 103 Q 3.8463 8.0879 118.3713 58.9314 28.2825 179.1600 104 S 4.2311 8.4584 115.3991 61.2606 63.1479 176.1433 105 A 3.9617 8.2077 125.0676 55.0263 18.1872 179.5370 106 Q 3.9405 8.1315 115.8036 59.6784 28.4726 178.4894 107 H 4.2210 7.9553 117.9729 58.6695 28.8001 177.7443 108 I 3.6177 8.2404 121.5569 64.2850 36.9846 178.1013 109 A 3.9872 8.3026 121.8735 55.5759 17.9803 179.4098 110 D 4.3681 8.3574 115.9840 57.6202 40.9394 178.7113 111 E 4.1262 8.3384 118.5274 58.7633 28.4050 178.8117 112 V 4.2254 8.4288 110.4006 60.1654 31.8292 176.9742 113 G 3.7650 8.3488 107.1537 46.1834 0.0000 174.4428 114 G 3.9907 7.1225 105.6692 45.1508 0.0000 173.4849 115 V 4.5315 8.3356 118.9241 60.6600 34.9084 175.2375 116 V 4.0177 8.4032 127.8775 63.0206 32.6660 174.6190 117 L 5.2470 9.2782 127.1299 53.0499 46.5466 176.3430 118 D 5.0656 8.7836 120.8605 52.2883 41.6906 176.7579 119 D 4.7069 9.2489 118.0923 57.5947 40.7245 177.9632 120 Q 4.2938 8.3429 114.2914 55.7189 28.3413 175.7853 121 R 3.9004 7.8094 115.5074 57.5449 28.3238 176.2866 122 R 4.7063 9.8925 114.9391 54.0489 32.7542 175.7259 123 M 4.3109 8.6140 120.0367 56.2343 32.3929 176.3871 124 M 4.4234 8.2169 122.4545 56.0022 32.9319 176.0024 125 T 4.6965 8.3473 111.4696 58.6958 72.6343 172.7589 126 P 4.2622 0.0000 0.0000 66.3555 31.3641 178.8238 127 Q 4.0417 8.1058 115.8756 58.9887 28.7205 178.9720 128 K 4.2670 8.0098 120.8024 58.9187 32.0831 179.2882 129 L 4.3908 8.1109 118.8254 58.1719 41.5124 179.7100 130 R 3.9426 8.0092 117.4465 59.0361 29.7973 178.8576 131 E 3.8683 8.0631 118.5125 59.7311 29.4696 178.9910 132 Y 4.1592 7.8403 116.4329 61.2242 37.9465 178.7698 133 Q 3.7316 7.8025 118.4748 58.9688 28.7491 178.6131 134 D 4.3335 8.2198 120.1009 57.3806 40.5044 178.9053 135 I 4.0107 7.5424 121.6091 63.9559 37.1434 178.5080 136 I 3.7571 7.8072 120.6289 64.4986 36.5534 178.6826 137 R 3.9345 8.0361 118.8728 59.2465 29.6321 178.8857 138 E 4.2514 8.0108 119.7675 58.9567 29.5853 179.6126 139 V 4.1735 7.5113 119.1983 65.0823 31.5483 178.2152 140 K 4.3026 8.2999 120.0543 58.9032 31.7701 178.8818 141 D 4.3539 7.9301 118.7124 56.2320 38.8711 178.6192 142 A 4.0016 7.6914 121.5208 54.4335 18.6744 177.8592 143 N 4.5331 7.9616 111.6087 53.0329 38.4947 174.7979 *144 A 4.0921 8.3358 127.8962 52.6724 18.9637 176.3643 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 1 M 8.30 4.38 0.00 1.96 1.46 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 2 D 9.25 4.54 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.52 0.00 1.62 1.65 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.37 7.81 4 P 0.00 4.32 0.00 2.17 1.98 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 5 K 8.46 4.54 0.00 1.74 1.82 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.39 7.81 6 R 8.04 4.23 0.00 1.92 1.92 0.00 3.12 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 7 K 8.46 4.14 0.00 1.82 1.84 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.46 7.81 8 E 7.42 4.82 0.00 2.09 1.80 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 2.25 2.26 0.00 9 A 7.97 4.57 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 10 V 8.32 4.66 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 1.03 0.00 0.00 0.97 0.00 0.00 11 I 8.60 4.59 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 1.11 0.00 0.00 12 I 8.64 5.21 2.34 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 1.44 0.73 1.05 0.00 0.00 13 M 9.63 4.89 0.00 1.70 1.85 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 14 N 8.92 5.35 0.00 2.70 2.68 0.00 0.00 6.81 7.88 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 15 V 8.60 4.64 2.05 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 0.96 0.00 0.00 0.88 0.00 0.00 16 A 8.93 4.97 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 17 A 7.74 4.35 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 H 8.79 4.31 0.00 3.27 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.57 4.18 0.00 3.09 3.27 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.85 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 0.00 0.00 0.00 21 S 7.60 4.75 0.00 3.98 3.72 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 0.00 0.00 0.00 22 E 8.44 4.92 0.00 1.74 1.91 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 2.17 2.26 0.00 23 L 8.66 4.39 0.00 1.51 1.51 0.90 0.43 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 24 N 8.63 4.27 0.00 2.71 2.61 0.00 0.00 7.00 7.89 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 25 G 8.25 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 26 E 8.09 3.99 0.00 1.98 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 2.36 2.38 0.00 27 L 7.79 4.00 0.00 1.64 1.68 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.20 3.87 0.00 1.78 1.84 1.06 0.64 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 29 L 8.54 3.78 0.00 1.75 1.67 1.12 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.30 4.31 0.00 2.77 2.84 0.00 0.00 6.74 7.13 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 S 7.68 4.07 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 32 I 7.35 3.40 1.39 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.87 0.05 0.00 0.00 33 Q 7.77 4.03 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 34 Q 7.99 4.15 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 35 A 7.58 4.52 1.52 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 0.00 0.00 36 G 8.04 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 0.00 0.00 0.00 37 F 8.22 4.28 0.00 3.01 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 38 I 8.25 4.65 2.04 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.93 0.00 0.00 39 F 9.31 4.02 0.00 3.04 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 40 G 7.58 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 0.00 0.00 0.00 41 D 8.10 4.61 0.00 2.67 2.65 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 0.00 0.00 0.00 42 M 9.12 3.24 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 43 N 8.07 4.30 0.00 2.93 3.11 0.00 0.00 6.74 7.59 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 44 I 6.98 5.15 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 1.10 0.00 0.00 45 Y 8.58 4.47 0.00 3.01 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 46 H 9.09 4.89 0.00 3.05 3.04 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.91 4.31 0.00 0.67 0.66 0.00 2.27 0.00 0.00 2.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.13 0.00 48 H 8.36 4.84 0.00 3.11 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.71 4.17 0.00 1.74 1.77 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.95 4.70 0.00 3.91 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 51 P 0.00 4.48 0.00 2.17 2.17 0.00 3.75 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 1.98 1.99 0.00 52 D 8.01 4.52 0.00 2.70 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 53 G 7.94 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.60 4.11 0.00 4.15 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 55 G 7.66 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 0.00 0.00 0.00 56 P 0.00 4.68 0.00 1.93 1.95 0.00 3.51 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.00 57 A 8.13 4.13 1.04 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 0.00 0.00 0.00 0.00 0.00 58 L 7.96 4.46 0.00 1.74 2.10 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 59 F 6.78 4.90 0.00 3.10 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 60 S 8.16 5.01 0.00 3.07 3.57 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 61 L 9.02 5.26 0.00 1.67 1.50 0.56 1.55 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 62 A 9.87 5.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.69 4.47 0.00 2.25 2.64 0.00 0.00 6.71 6.53 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 64 M 8.63 4.33 0.00 2.03 2.15 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 2.69 2.52 0.00 65 V 7.58 3.96 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 0.99 0.00 0.00 0.95 0.00 0.00 66 K 8.51 4.29 0.00 1.76 1.71 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.36 7.81 67 P 0.00 4.41 0.00 2.18 2.22 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 68 G 8.92 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 69 T 6.95 4.71 4.33 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 1.28 0.00 0.00 70 F 8.75 4.89 0.00 3.08 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 71 D 8.32 5.04 0.00 2.47 2.48 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 72 P 0.00 4.36 0.00 2.02 2.12 0.00 3.67 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 2.03 2.12 0.00 73 E 8.06 4.46 0.00 1.99 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 2.38 2.28 0.00 74 M 8.34 3.94 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 75 K 7.96 4.47 0.00 1.82 1.94 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 76 D 7.85 4.91 0.00 2.73 2.63 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 77 F 7.76 5.13 0.00 3.13 3.27 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 78 T 8.24 4.44 4.20 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 1.11 0.00 0.00 79 T 7.89 4.71 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 1.13 0.00 0.00 80 P 0.00 4.41 0.00 2.27 2.30 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 81 G 6.79 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 0.00 0.00 0.00 0.00 82 V 8.35 4.84 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 0.89 0.00 0.00 0.99 0.00 0.00 83 T 9.94 5.05 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 I 9.03 4.92 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.00 0.94 0.00 0.00 85 F 8.36 5.45 0.00 3.35 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 86 M 9.34 5.09 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.62 0.00 87 Q 9.10 4.74 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.75 0.00 88 V 7.76 4.62 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 0.74 0.00 0.00 1.03 0.00 0.00 89 P 0.00 4.91 0.00 2.07 2.10 0.00 3.74 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 90 S 8.41 4.88 0.00 3.93 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 91 Y 8.33 4.09 0.00 2.98 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 92 G 7.38 3.42 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 0.00 93 D 8.34 4.59 0.00 2.69 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 94 E 8.78 4.06 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 2.44 2.42 0.00 95 L 8.91 4.07 0.00 1.95 1.71 0.89 0.73 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 96 Q 8.10 4.06 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 97 N 8.26 4.19 0.00 2.94 2.82 0.00 0.00 6.73 8.27 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 98 F 8.15 3.85 0.00 3.14 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 99 K 8.05 3.90 0.00 2.05 1.85 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.81 7.81 100 L 7.98 4.09 0.00 1.52 1.78 1.04 1.33 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 0.00 101 M 7.37 3.89 0.00 1.70 1.72 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.79 0.00 102 L 7.17 3.77 0.00 1.44 1.51 0.61 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.09 3.85 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 104 S 8.46 4.23 0.00 4.25 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.96 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 0.00 106 Q 8.13 3.94 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.16 0.00 107 H 7.96 4.22 0.00 3.44 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.24 3.62 2.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.83 0.00 0.00 109 A 8.30 3.99 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 0.00 110 D 8.36 4.37 0.00 2.81 2.76 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 0.00 111 E 8.34 4.13 0.00 2.07 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 2.48 2.47 0.00 112 V 8.43 4.23 2.05 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 0.87 0.00 0.00 1.03 0.00 0.00 113 G 8.35 3.77 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 0.00 0.00 0.00 114 G 7.12 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 0.00 0.00 0.00 115 V 8.34 4.53 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 0.91 0.00 0.00 0.77 0.00 0.00 116 V 8.40 4.02 2.05 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 0.85 0.00 0.00 0.89 0.00 0.00 117 L 9.28 5.25 0.00 1.66 1.50 0.92 0.80 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 0.00 118 D 8.78 5.07 0.00 3.10 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 0.00 119 D 9.25 4.71 0.00 2.78 2.87 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 0.00 120 Q 8.34 4.29 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 121 R 7.81 3.90 0.00 1.97 2.02 0.00 3.13 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 122 R 9.89 4.71 0.00 2.19 1.82 0.00 3.30 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 123 M 8.61 4.31 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 124 M 8.22 4.42 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.80 0.00 125 T 8.35 4.70 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 1.30 0.00 0.00 126 P 0.00 4.26 0.00 2.19 2.20 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 127 Q 8.11 4.04 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 128 K 8.01 4.27 0.00 2.08 2.03 0.00 1.74 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.38 7.81 129 L 8.11 4.39 0.00 1.97 1.98 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.01 3.94 0.00 2.04 1.95 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 131 E 8.06 3.87 0.00 2.00 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 2.53 0.00 132 Y 7.84 4.16 0.00 3.43 3.23 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 0.00 133 Q 7.80 3.73 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.71 0.00 0.00 0.00 0.00 0.00 1.80 2.18 0.00 134 D 8.22 4.33 0.00 2.80 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 0.00 135 I 7.54 4.01 2.10 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 1.76 0.96 0.00 0.00 136 I 7.81 3.76 1.99 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 1.59 1.11 0.94 0.00 0.00 137 R 8.04 3.93 0.00 1.97 1.95 0.00 3.26 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 138 E 8.01 4.25 0.00 2.23 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 0.00 2.32 2.35 0.00 139 V 7.51 4.17 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 1.42 0.00 0.00 1.02 0.00 0.00 140 K 8.30 4.30 0.00 2.02 1.84 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 141 D 7.93 4.35 0.00 2.87 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 0.00 142 A 7.69 4.00 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 143 N 7.96 4.53 0.00 2.87 3.06 0.00 0.00 6.07 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 *144 A 8.34 4.09 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 * Residues marked with a * may have inaccurate shift predictions.