NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4730 8.3049 120.3312 55.0254 33.3098 176.4433 2 K 4.1399 8.8718 120.6898 55.7938 34.5789 176.9677 3 T 4.3692 7.9999 121.9737 63.6937 67.6071 174.6753 4 F 4.1508 8.9879 112.2281 56.7689 37.4692 173.8404 5 T 3.6392 7.4683 114.2901 59.3562 68.8573 173.8155 6 A 4.2520 7.2436 131.5920 52.2070 19.0562 177.4495 7 K 4.2929 8.1859 118.7223 54.6970 32.1072 175.8677 8 P 3.5062 0.0000 0.0000 62.9138 33.1157 175.5278 9 E 5.1195 8.7850 118.4306 57.4044 32.3135 177.3336 10 T 3.4299 7.5167 110.4224 63.9456 69.5335 172.9704 11 V 5.4506 7.6222 132.1382 62.5872 31.4622 170.4840 12 K 4.5251 7.6152 120.8896 55.3381 35.0892 175.0486 13 R 4.4358 7.7754 122.3693 55.8225 34.2501 172.3740 14 D 3.6900 7.4094 116.4949 54.9011 43.7488 176.6714 15 W 5.1144 9.0848 119.6064 58.7185 29.3817 173.9806 16 Y 4.7237 9.0552 119.4600 59.4618 38.8191 175.2119 17 V 4.9256 8.1454 119.1171 62.1363 35.1508 173.4018 18 V 4.5806 9.2292 127.4915 61.2796 34.3940 175.2037 19 D 4.2088 9.0286 127.7329 57.1020 39.5569 177.4335 20 A 4.1965 8.3794 126.6973 52.7251 16.8350 180.4372 21 T 3.9155 7.3628 103.6724 64.3297 70.0062 174.0445 22 G 3.8225 8.3306 111.3263 45.0277 0.0000 173.7375 23 K 4.2717 8.6281 126.5664 57.4878 30.3866 175.9444 24 T 4.2224 7.7843 113.3951 61.5213 70.8481 176.5051 25 L 3.2119 9.0083 117.1611 57.6816 40.3057 173.9828 26 G 4.1106 8.9280 113.5668 47.4326 0.0000 175.5462 27 R 3.9508 7.8318 118.5789 58.5130 30.4574 178.9770 28 L 3.7783 8.1448 118.4771 58.0366 42.6478 177.4470 29 A 4.1300 8.4269 122.4420 55.6365 18.1499 178.8017 30 T 3.7012 6.9989 102.4276 66.7371 68.3881 174.6728 31 E 4.2159 8.3405 118.1235 56.8061 29.9689 177.4786 32 L 4.3980 7.8140 120.1322 55.5398 42.6270 176.3910 33 A 4.5552 7.4486 119.7866 53.9143 21.4963 178.1846 34 R 3.8234 8.9901 117.2647 59.5349 30.1591 178.2084 35 R 3.9490 7.4068 114.1554 57.6162 30.0379 176.5378 36 L 4.3021 7.8626 116.2135 55.8344 41.9467 176.2135 37 R 4.3904 8.3223 116.0227 55.5021 32.3670 176.1178 38 G 4.9943 7.8162 124.2435 46.0603 0.0000 171.2862 39 K 3.8460 8.3409 126.1526 58.6581 31.6264 178.8300 40 H 4.0267 8.9282 113.7454 58.4017 29.9793 175.2635 41 K 3.7529 8.1324 120.1807 57.2479 31.9169 175.5779 42 A 4.7431 8.6969 128.0229 51.5641 19.4080 174.4853 43 E 4.6370 7.4729 115.1890 56.8212 33.3101 173.8557 44 Y 3.2123 8.1470 112.6444 59.2906 34.3473 171.0866 45 T 3.9426 7.7453 108.3676 61.1028 69.8751 173.1467 46 P 5.6648 0.0000 0.0000 60.3515 30.8503 177.3038 47 H 4.3798 9.2172 116.8604 56.9478 27.9292 174.6580 48 V 4.2116 7.3564 124.9004 62.8941 30.6159 174.6010 49 D 4.8268 8.6263 118.0668 54.7173 42.9851 176.5176 50 T 4.1583 8.1772 115.8912 63.2955 69.1690 173.1482 51 G 3.8810 8.7379 107.6043 43.3888 0.0000 172.0161 52 D 5.4412 8.4008 130.3565 54.0480 42.5491 175.6156 53 Y 4.3631 8.4461 122.0594 58.1815 38.8880 175.8257 54 I 4.8450 7.8471 120.1913 60.3148 42.2770 174.9201 55 I 4.9398 8.0623 122.1924 59.1308 40.7255 175.3311 56 V 5.1908 7.9906 126.0647 61.6316 32.7531 174.7014 57 L 4.6738 8.0070 122.8458 53.2107 45.1710 178.5750 58 N 4.2109 10.5890 111.8143 50.6933 39.6865 175.9154 59 A 4.1121 7.8941 123.7521 51.9624 18.1253 180.2602 60 D 4.7523 7.7538 114.7047 52.2660 38.4403 177.2994 61 K 4.2653 9.0769 121.0202 57.9156 34.5825 176.5522 62 V 4.3834 8.3819 116.8011 60.6644 33.7380 175.6790 63 A 3.5849 7.7872 127.0625 52.8161 19.6655 174.5092 64 V 3.1693 7.3336 124.0257 64.1537 33.3303 173.2493 65 T 3.6110 7.4254 115.3695 61.6982 73.2392 173.8697 66 G 3.6907 9.0933 111.8401 45.7669 0.0000 173.0669 67 N 4.4829 9.3990 125.6034 55.7597 40.5956 176.4791 68 K 4.1348 7.7104 117.7011 59.6172 32.4693 178.2134 69 R 3.9072 8.2779 118.5392 59.5477 29.9582 177.9526 70 T 4.2688 8.0084 112.9932 64.8267 69.2490 174.9529 71 D 4.7360 7.8647 118.4085 56.1595 42.7895 176.1532 72 K 4.2116 7.7806 119.3265 54.8670 33.1702 174.9787 73 V 5.5996 8.0372 125.2577 59.5977 34.4328 174.2926 74 Y 3.9695 7.9179 115.9599 58.4204 40.5534 173.2744 75 Y 3.7874 6.9738 118.9995 57.7195 36.3529 169.2366 76 H 4.4375 9.0631 120.9981 57.6435 29.8267 172.0539 77 H 3.9350 8.2807 126.3074 55.8685 30.2489 174.1620 78 T 4.1750 8.2851 116.2297 61.3352 69.5280 177.0031 79 G 4.0349 7.7710 108.1364 46.6033 0.0000 174.1090 80 H 4.3875 8.3429 117.9222 60.8545 29.8251 179.3452 81 I 2.6522 8.9176 117.5166 60.4203 40.1649 174.5135 82 G 4.1275 10.4354 103.8593 45.3474 0.0000 172.7652 83 G 3.9628 7.5183 109.7147 45.9623 0.0000 175.2457 84 I 4.3687 7.3705 135.0000 61.2753 35.9495 175.6382 85 K 4.2980 9.1737 135.0000 57.6577 32.1967 176.0096 86 Q 4.6825 8.3556 123.2295 53.4483 29.8388 173.6330 87 A 4.2514 8.4215 123.7390 52.4633 19.8579 176.9923 88 T 4.5489 7.7208 108.6738 60.7261 72.0835 173.6338 89 F 4.7953 9.3469 123.5219 56.9566 40.3393 176.3174 90 E 3.8840 9.1161 122.5812 59.5960 29.1868 178.2406 91 E 3.8343 8.0619 118.0471 60.0345 29.8054 178.5335 92 M 4.0731 8.0198 117.1786 58.1526 32.2560 177.4262 93 I 3.8361 7.8934 117.6553 62.6737 38.2783 176.6388 94 A 4.2936 8.0666 119.9086 52.7782 18.3514 177.0263 95 R 4.3569 7.4524 116.6786 55.1201 30.8939 177.4000 96 R 5.5148 7.2188 129.2773 56.9535 31.0561 173.0911 97 P 4.9378 0.0000 0.0000 60.9403 30.2098 175.8516 98 E 4.7016 7.3741 118.7580 55.8728 32.2006 176.6136 99 R 3.7310 7.4570 117.8128 56.7690 28.6083 175.6859 100 V 4.8235 9.5816 121.0300 59.2573 31.6438 172.7973 101 I 3.4068 8.2742 114.5030 62.0761 38.0194 174.1972 102 E 4.6454 10.3739 115.5810 55.9292 30.8068 176.7863 103 I 4.7819 7.6276 119.7974 61.3105 37.8270 175.1920 104 A 4.4893 8.1651 120.8249 52.6218 18.6290 179.1455 105 V 4.1981 7.6469 120.1196 65.6247 33.5358 177.3961 106 K 3.8243 8.2071 118.7365 58.1103 31.8625 176.7291 107 G 3.8952 7.7623 104.8886 46.5583 0.0000 173.8505 108 M 4.4924 8.2879 119.7048 54.7238 32.0658 175.6651 109 L 4.6438 7.6599 118.2034 54.5337 43.5925 176.7185 110 P 3.8274 0.0000 0.0000 65.1321 31.9241 173.8900 111 K 3.8163 8.1315 121.2343 56.8444 32.6294 176.4994 112 G 3.8221 8.4332 107.6424 43.8224 0.0000 170.4794 113 P 4.4616 0.0000 0.0000 62.9834 32.1970 176.0841 114 L 3.6022 8.8254 122.1648 55.9900 41.3726 175.1659 115 G 3.9800 9.0639 111.2328 47.8621 0.0000 174.6982 116 R 3.8584 8.5204 120.7422 57.8961 28.6939 178.1211 117 A 4.4765 9.1016 114.2151 52.8584 18.5406 179.0020 118 M 4.4172 8.4364 119.0827 57.0534 33.1088 176.2885 119 F 4.8053 7.8624 111.7227 57.9180 40.2374 177.2430 120 R 3.1775 7.5887 120.8064 58.2535 30.2674 177.2285 121 K 4.0181 7.3359 116.2743 57.0152 31.5525 178.1856 122 L 4.2099 7.4564 117.8371 54.9066 43.4248 173.6908 123 K 3.8111 7.5343 122.7937 55.8677 31.5091 174.7783 124 V 4.0647 6.5158 118.8809 59.2025 34.6635 174.3020 125 Y 3.7373 7.3662 121.5979 57.5088 38.0259 169.4337 126 A 5.3261 7.6530 120.7701 50.6678 19.4238 177.3655 127 G 4.2142 8.3838 103.4581 51.0100 0.0000 173.0141 128 N 4.3217 7.3444 117.9631 51.2670 42.1042 175.0122 129 E 3.8140 8.5837 119.2554 58.2673 30.2803 174.8273 130 H 4.6770 9.8021 123.5914 56.5365 28.1802 176.4800 131 N 5.0304 7.1325 111.7163 53.1401 39.9628 175.2920 132 H 3.9686 7.8449 115.4704 55.6798 27.8284 175.7714 133 A 3.8518 7.2106 123.0686 54.3840 18.9477 177.8482 134 A 4.1270 6.6409 118.0584 51.7124 18.8116 176.7003 135 Q 3.9731 8.7102 119.7645 56.6943 29.2181 176.2413 136 Q 4.0322 9.2889 127.0413 59.4308 29.6129 173.7915 137 P 4.0545 0.0000 0.0000 63.1767 29.4190 170.6437 138 Q 3.2681 9.2814 124.9816 55.3316 28.0929 173.3171 139 V 5.1171 7.4645 115.9866 59.2639 35.3901 174.7096 140 L 4.2596 7.9860 119.8105 54.9907 45.4810 176.1874 *141 D 4.4415 8.5224 118.2763 53.6457 40.4476 176.5899 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 4.47 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 K 8.87 4.14 0.00 1.83 1.75 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.43 7.81 3 T 8.00 4.37 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 1.26 0.00 0.00 4 F 8.99 4.15 0.00 3.38 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 5 T 7.47 3.64 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 1.05 0.00 0.00 6 A 7.24 4.25 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 7 K 8.19 4.29 0.00 1.81 1.73 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.57 7.81 8 P 0.00 3.51 0.00 2.29 1.94 0.00 3.51 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 1.92 2.05 0.00 9 E 8.78 5.12 0.00 2.05 1.97 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 2.07 2.22 0.00 10 T 7.52 3.43 4.29 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 1.32 0.00 0.00 11 V 7.62 5.45 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 0.69 0.00 0.00 0.94 0.00 0.00 12 K 7.62 4.53 0.00 1.90 1.30 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.29 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.21 1.32 7.81 13 R 7.78 4.44 0.00 1.42 1.26 0.00 3.06 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 14 D 7.41 3.69 0.00 2.66 2.83 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 0.00 0.00 0.00 15 W 9.08 5.11 0.00 3.62 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 16 Y 9.06 4.72 0.00 3.00 3.09 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 17 V 8.15 4.93 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 0.73 0.00 0.00 1.10 0.00 0.00 18 V 9.23 4.58 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 0.99 0.00 0.00 1.03 0.00 0.00 19 D 9.03 4.21 0.00 2.82 2.94 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 20 A 8.38 4.20 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.36 3.92 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 1.31 0.00 0.00 22 G 8.33 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 0.00 0.00 0.00 23 K 8.63 4.27 0.00 1.86 1.95 0.00 1.45 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.51 7.81 24 T 7.78 4.22 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 1.23 0.00 0.00 25 L 9.01 3.21 0.00 1.86 1.87 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.93 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 0.00 0.00 0.00 0.00 27 R 7.83 3.95 0.00 2.02 2.03 0.00 3.31 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 28 L 8.14 3.78 0.00 1.62 1.72 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.43 4.13 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 30 T 7.00 3.70 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 1.26 0.00 0.00 31 E 8.34 4.22 0.00 2.13 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 2.71 2.55 0.00 32 L 7.81 4.40 0.00 1.87 1.78 0.94 0.81 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 33 A 7.45 4.56 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 34 R 8.99 3.82 0.00 1.85 1.95 0.00 3.30 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 35 R 7.41 3.95 0.00 1.79 1.86 0.00 2.76 0.00 0.00 2.87 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.27 0.00 36 L 7.86 4.30 0.00 1.75 1.69 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.32 4.39 0.00 1.88 1.91 0.00 3.38 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 38 G 7.82 4.99 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 39 K 8.34 3.85 0.00 1.76 1.67 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.50 7.81 40 H 8.93 4.03 0.00 3.18 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.13 3.75 0.00 1.66 1.82 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.42 7.81 42 A 8.70 4.74 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 43 E 7.47 4.64 0.00 2.22 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 2.26 2.55 0.00 44 Y 8.15 3.21 0.00 3.07 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 45 T 7.75 3.94 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 1.19 0.00 0.00 46 P 0.00 5.66 0.00 2.25 1.54 0.00 3.57 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 47 H 9.22 4.38 0.00 3.32 3.53 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.36 4.21 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 0.84 0.00 0.00 1.04 0.00 0.00 49 D 8.63 4.83 0.00 2.88 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 50 T 8.18 4.16 4.32 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 1.30 0.00 0.00 51 G 8.74 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 52 D 8.40 5.44 0.00 2.62 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 53 Y 8.45 4.36 0.00 2.80 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 54 I 7.85 4.85 1.85 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 1.14 0.50 0.95 0.00 0.00 55 I 8.06 4.94 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.82 1.07 0.00 0.00 56 V 7.99 5.19 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 0.92 0.00 0.00 0.94 0.00 0.00 57 L 8.01 4.67 0.00 1.72 1.64 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 58 N 10.59 4.21 0.00 3.11 3.13 0.00 0.00 6.68 7.12 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 59 A 7.89 4.11 1.45 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 0.00 0.00 60 D 7.75 4.75 0.00 2.79 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 61 K 9.08 4.27 0.00 1.74 1.95 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.54 7.81 62 V 8.38 4.38 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 0.81 0.00 0.00 1.00 0.00 0.00 63 A 7.79 3.58 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 64 V 7.33 3.17 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 0.80 0.00 0.00 1.12 0.00 0.00 65 T 7.43 3.61 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 66 G 9.09 3.69 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 67 N 9.40 4.48 0.00 2.75 2.84 0.00 0.00 6.87 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 68 K 7.71 4.13 0.00 1.98 1.88 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 69 R 8.28 3.91 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 70 T 8.01 4.27 4.31 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 1.28 0.00 0.00 71 D 7.86 4.74 0.00 2.66 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 72 K 7.78 4.21 0.00 1.86 1.87 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.66 1.32 7.81 73 V 8.04 5.60 1.76 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 0.69 0.00 0.00 0.10 0.00 0.00 74 Y 7.92 3.97 0.00 2.63 2.88 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 75 Y 6.97 3.79 0.00 3.16 2.92 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 76 H 9.06 4.44 0.00 3.18 3.41 0.00 6.03 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.28 3.94 0.00 3.29 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.29 4.17 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 79 G 7.77 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 80 H 8.34 4.39 0.00 3.16 3.32 0.00 5.66 0.00 0.00 0.00 0.00 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.92 2.65 1.88 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 1.36 1.23 0.92 0.00 0.00 82 G 10.44 4.13 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 0.00 83 G 7.52 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 84 I 7.37 4.37 1.57 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.96 0.00 0.00 85 K 9.17 4.30 0.00 1.93 1.94 0.00 1.53 0.00 0.00 1.49 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.58 7.81 86 Q 8.36 4.68 0.00 2.10 2.03 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 2.42 2.37 0.00 87 A 8.42 4.25 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 88 T 7.72 4.55 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 1.28 0.00 0.00 89 F 9.35 4.80 0.00 3.15 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 90 E 9.12 3.88 0.00 2.15 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 0.00 2.46 2.56 0.00 91 E 8.06 3.83 0.00 2.16 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 2.20 2.29 0.00 92 M 8.02 4.07 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 93 I 7.89 3.84 1.71 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.60 0.00 0.00 94 A 8.07 4.29 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 95 R 7.45 4.36 0.00 1.81 1.92 0.00 3.22 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 96 R 7.22 5.51 0.00 1.82 1.86 0.00 3.38 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.00 97 P 0.00 4.94 0.00 2.08 2.09 0.00 3.74 0.00 0.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 98 E 7.37 4.70 0.00 2.03 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 2.17 2.26 0.00 99 R 7.46 3.73 0.00 1.86 1.92 0.00 3.31 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 100 V 9.58 4.82 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 0.65 0.00 0.00 0.89 0.00 0.00 101 I 8.27 3.41 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.48 0.91 0.00 0.00 102 E 10.37 4.65 0.00 2.12 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 0.00 2.39 2.37 0.00 103 I 7.63 4.78 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 0.95 0.00 0.00 104 A 8.17 4.49 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 0.00 105 V 7.65 4.20 2.25 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 0.93 0.00 0.00 1.03 0.00 0.00 106 K 8.21 3.82 0.00 0.79 1.46 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.99 1.21 7.81 107 G 7.76 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 0.00 0.00 0.00 108 M 8.29 4.49 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 109 L 7.66 4.64 0.00 1.80 1.70 0.92 0.79 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 0.00 110 P 0.00 3.83 0.00 2.09 2.15 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 111 K 8.13 3.82 0.00 1.85 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.62 7.81 112 G 8.43 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 0.00 0.00 0.00 113 P 0.00 4.46 0.00 2.06 2.08 0.00 3.84 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 2.04 2.09 0.00 114 L 8.83 3.60 0.00 1.75 1.51 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 115 G 9.06 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 0.00 0.00 0.00 116 R 8.52 3.86 0.00 2.12 1.69 0.00 3.18 0.00 0.00 3.20 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 117 A 9.10 4.48 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 0.00 118 M 8.44 4.42 0.00 1.93 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 119 F 7.86 4.81 0.00 3.17 3.18 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 0.00 120 R 7.59 3.18 0.00 1.60 1.77 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 121 K 7.34 4.02 0.00 1.84 1.43 0.00 1.36 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.08 7.81 122 L 7.46 4.21 0.00 1.68 1.49 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.53 3.81 0.00 1.95 1.63 0.00 1.33 0.00 0.00 1.48 0.00 0.00 2.67 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.30 7.81 124 V 6.52 4.06 1.84 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 0.82 0.00 0.00 0.78 0.00 0.00 125 Y 7.37 3.74 0.00 3.20 2.91 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 0.00 126 A 7.65 5.33 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 0.00 127 G 8.38 4.21 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 0.00 128 N 7.34 4.32 0.00 3.02 3.09 0.00 0.00 6.07 7.66 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 0.00 129 E 8.58 3.81 0.00 1.98 1.97 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 2.29 2.33 0.00 130 H 9.80 4.68 0.00 3.13 3.75 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.13 5.03 0.00 2.68 2.73 0.00 0.00 7.07 8.04 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 0.00 132 H 7.84 3.97 0.00 3.08 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.21 3.85 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 0.00 134 A 6.64 4.13 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 0.00 135 Q 8.71 3.97 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 136 Q 9.29 4.03 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 137 P 0.00 4.05 0.00 2.34 2.05 0.00 3.74 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 2.08 2.20 0.00 138 Q 9.28 3.27 0.00 1.82 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.61 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 139 V 7.46 5.12 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 0.93 0.00 0.00 0.88 0.00 0.00 140 L 7.99 4.26 0.00 1.32 1.24 0.63 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *141 D 8.52 4.44 0.00 2.44 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 * Residues marked with a * may have inaccurate shift predictions.