NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.7288 8.1648 122.9782 51.9763 19.9151 176.1822 *2 I 4.0426 8.1558 122.4905 61.3115 38.2793 175.6846 3 V 3.8976 8.7797 126.2691 65.4127 32.2677 176.0857 4 G 4.6830 7.4670 103.9256 46.2212 0.0000 172.1969 5 L 5.3102 8.5479 122.3129 53.0953 45.2245 175.7883 6 G 4.2956 9.1577 112.1452 44.9037 0.0000 171.1846 7 T 5.2799 8.2728 115.8300 60.6466 71.1896 172.1934 8 D 4.7566 8.7381 123.5772 53.1892 45.2277 173.7047 9 I 5.0887 8.4821 123.9840 59.1498 40.9827 174.1814 10 A 4.9000 9.4114 130.0947 50.0571 22.4625 174.7566 11 E 4.4838 8.8307 123.0112 55.3221 30.4585 177.2464 12 I 3.7072 8.6008 128.8280 64.4310 37.0838 177.9938 13 E 4.0388 8.0715 119.6788 59.4522 29.3957 179.0291 14 R 3.8384 7.7371 118.2866 58.9950 30.0644 179.1935 15 V 3.5443 7.6011 117.7144 65.9079 31.6395 177.7625 16 E 4.0137 8.3429 118.4458 59.3646 29.4315 179.5022 17 K 3.9011 8.2430 118.3785 59.3544 32.0441 179.1518 18 A 3.7085 7.7616 120.9595 55.1296 18.1354 179.7270 19 L 4.0970 8.1217 117.2117 57.9314 41.4965 179.6228 20 A 4.0654 8.0413 119.7868 54.6061 18.2776 179.4123 21 R 4.1930 7.6280 115.3330 58.3882 31.1892 178.2594 22 S 4.7171 8.4520 112.6462 56.1531 64.8661 176.0062 23 G 3.9583 8.7437 111.0835 45.9835 0.0000 176.1540 24 E 3.9920 9.0536 124.3251 59.2083 28.9193 177.7686 25 N 4.4104 7.9591 115.4794 55.9171 38.9474 176.9888 26 F 4.4441 8.2177 121.5094 61.2964 39.6564 176.9713 27 A 3.4127 8.1329 120.5826 55.1460 17.8796 179.7819 28 R 3.9046 8.0577 115.3378 58.8260 30.1569 179.1013 29 R 4.0404 7.5037 117.2151 58.5810 30.0360 178.1298 30 I 3.6932 7.1105 117.8155 61.3405 38.3355 175.8737 31 L 4.8544 7.3130 118.8262 53.0038 43.5689 177.1752 32 T 3.9823 8.6378 113.0748 61.4423 70.6823 175.4483 33 D 4.3733 8.5722 122.1659 57.7295 40.9186 179.1009 34 S 4.2381 7.9453 112.9722 61.5773 62.5931 176.0132 35 E 4.1423 8.2889 120.8703 59.0509 29.1009 179.2560 36 L 4.0366 7.8826 119.3605 57.2288 41.3849 178.9554 37 E 3.9065 7.9250 119.7513 59.5322 29.4140 178.7744 38 Q 3.9603 8.0095 117.4561 58.6844 29.4995 177.2283 39 F 2.9047 7.9749 121.9548 61.2711 39.1972 176.9037 40 H 4.0127 8.2372 114.4719 58.5349 28.5218 177.1844 41 A 4.0682 7.3940 121.1956 52.9783 18.7464 177.8628 42 S 4.1106 6.8856 112.1284 58.3350 62.8772 173.9838 43 K 4.3981 8.4485 124.1891 56.3535 33.0735 176.8699 44 Q 4.5893 7.9558 116.9632 53.8413 28.3305 175.8373 45 Q 3.9723 7.9717 122.0605 59.5001 29.1524 178.6797 46 G 3.7387 8.1322 106.3380 47.9726 0.0000 175.8484 47 R 3.9836 8.0230 120.2968 58.7237 30.2954 178.5182 48 F 4.0324 8.5484 120.6718 61.5428 39.3946 177.0712 49 L 4.1868 8.8538 119.9270 57.9845 41.8901 178.5111 50 A 4.0932 8.4928 121.2172 55.3097 18.3172 179.7978 51 K 3.9787 8.0833 116.7562 59.7057 32.0158 179.9078 52 R 3.9117 7.9061 117.9735 58.8691 29.8859 178.7611 53 F 3.9033 8.7580 120.7977 61.2776 39.3518 177.0538 54 A 4.5734 8.6558 121.4382 54.7060 18.1755 179.4368 55 A 3.8667 8.1143 119.2625 55.2719 18.4047 180.1073 56 K 3.4972 8.2368 117.2011 59.3033 32.1208 179.4769 57 E 3.6131 8.1427 118.7731 59.2169 29.3870 179.1768 58 A 3.8663 8.0585 120.6664 55.1825 18.4204 179.5400 59 A 3.8148 7.7942 119.4615 55.1865 18.2074 180.0483 60 S 4.1200 7.5461 112.8076 61.3807 63.1300 176.9668 61 K 3.9378 7.9579 122.0210 59.0982 31.8275 179.1458 62 A 4.1481 8.0682 121.1432 55.0591 18.0277 179.4137 63 L 4.0385 7.7993 118.2161 56.5013 42.2594 177.9781 64 G 4.0238 7.9993 105.8290 45.1855 0.0000 173.6853 65 T 4.2166 7.6351 108.3403 60.3171 70.6354 175.9738 66 G 3.9425 7.7215 110.6785 45.7374 0.0000 173.6934 67 I 3.9256 7.8037 118.1795 59.4403 35.6581 174.6131 68 A 4.1934 8.4631 126.1925 52.3345 22.7039 176.1220 69 Q 3.5402 9.9106 114.7367 57.1578 26.1443 175.6767 70 G 3.8903 8.4958 105.6898 45.1940 0.0000 174.3237 71 V 4.0354 7.8418 121.5111 62.0450 32.2492 175.0757 72 T 4.7153 8.4785 116.5354 59.1951 71.5454 174.9798 73 F 4.2389 8.5896 119.9188 61.1133 38.9302 177.2321 74 H 4.6191 7.8919 115.8224 57.5325 28.2924 175.6382 75 D 4.5075 8.0248 118.8181 53.7945 40.9226 175.4162 76 F 5.2427 7.7966 118.4297 55.8392 42.1415 174.6274 77 T 4.8519 9.0302 119.8051 61.8322 71.7458 172.8562 78 I 4.9382 9.1204 127.9418 60.0278 38.9299 175.1556 79 S 4.9901 8.9505 122.0926 57.0858 66.5751 172.2405 80 H 5.4561 8.5973 114.6508 54.6255 32.9640 173.6536 81 D 4.7707 8.7595 121.3507 51.8613 41.1629 177.2687 82 K 4.0769 8.5328 117.2764 59.3768 32.5141 177.5219 83 L 4.3146 8.1724 117.9394 54.6180 41.9876 177.2751 84 G 3.9966 8.0968 107.5636 44.3916 0.0000 173.8052 85 K 4.2314 8.0943 122.4543 55.6973 33.2157 174.1858 86 P 4.7908 0.0000 0.0000 62.7068 32.4576 175.4650 87 L 4.8522 9.0002 121.9332 52.8035 45.4759 175.0402 88 L 5.1611 8.5354 123.9499 53.3764 44.3778 175.3421 89 I 4.6276 8.6786 126.7774 59.5364 40.2701 174.8692 90 L 5.0127 8.5352 126.2793 53.9634 43.5949 175.7128 91 S 4.2944 8.5868 115.3715 57.7646 66.9270 174.2905 92 G 3.9263 8.6855 107.1343 45.5030 0.0000 175.6970 93 Q 3.9369 8.5784 116.7985 58.8230 28.6050 178.2382 94 A 3.8604 7.8882 121.1260 55.1189 18.3317 179.3672 95 A 3.8763 7.7061 119.2164 55.1912 18.4136 179.7165 96 E 3.8634 8.0180 116.7701 59.5489 29.5741 179.5572 97 L 3.9486 8.2307 119.0866 57.8003 41.6560 179.4255 98 A 4.0082 8.2706 120.9434 55.3040 18.2970 179.8858 99 S 4.0539 8.3359 113.8100 61.9107 62.6927 176.9424 100 Q 4.0509 7.9052 119.6068 58.7056 28.5446 178.0976 101 L 4.2375 7.8318 117.1951 54.3166 41.9981 176.7528 102 Q 3.5322 7.9413 116.9248 56.5477 26.7275 174.0099 103 V 3.8623 7.9303 118.1926 63.2275 31.8117 175.1201 104 E 4.7607 9.0609 123.9160 55.9757 31.5538 175.7679 105 N 5.0542 8.0076 117.5288 51.6261 43.1456 173.2220 106 I 4.9400 8.2991 123.0875 59.7849 40.5478 174.4782 107 H 5.0245 9.2333 123.4906 53.8843 32.2727 172.5183 108 L 5.1587 8.4696 123.2665 53.5298 45.3482 175.1380 109 S 4.8207 9.1463 119.5316 56.6009 66.1085 172.5114 110 I 5.0407 8.3335 125.2281 59.7568 40.1441 174.8404 111 S 4.6892 8.4247 118.3576 56.8782 65.5069 172.4774 112 D 5.0870 8.4177 124.3555 51.6849 42.4693 174.5273 113 E 4.8098 8.7065 118.0980 54.9456 32.4184 174.8352 114 R 3.9947 7.6763 118.5556 59.9008 30.2210 177.4273 115 H 4.5712 8.5739 112.4586 55.7653 30.6685 173.6515 116 Y 5.3478 7.8959 115.7704 56.0473 42.1637 174.4859 117 A 5.4570 9.2493 123.6308 49.1717 23.0566 174.8894 *119 A 4.5382 8.2201 119.1398 52.4731 20.5209 175.9731 120 T 5.1186 8.5915 115.0255 61.7980 73.0619 173.4204 121 V 4.9559 8.9516 124.5664 61.1980 35.3238 174.1826 122 I 5.0220 8.8274 127.1528 59.5459 40.9042 174.1722 123 L 5.1020 8.7694 126.4186 53.0617 44.2029 175.1719 124 E 5.0461 9.2114 123.5746 54.2280 33.8163 175.7342 125 R 4.3161 8.4786 120.8665 56.3244 29.7492 175.5104 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 0 A 8.16 4.73 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 *2 I 8.16 4.04 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 1.30 0.59 0.96 0.00 0.00 3 V 8.78 3.90 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 0.72 0.00 0.00 0.93 0.00 0.00 4 G 7.47 4.68 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 0.00 0.00 0.00 5 L 8.55 5.31 0.00 1.58 1.48 0.91 0.92 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 6 G 9.16 4.30 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 0.00 7 T 8.27 5.28 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 1.20 0.00 0.00 8 D 8.74 4.76 0.00 2.80 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 9 I 8.48 5.09 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.28 0.91 0.00 0.00 10 A 9.41 4.90 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 11 E 8.83 4.48 0.00 2.16 1.86 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 2.23 2.04 0.00 12 I 8.60 3.71 1.86 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 1.42 0.40 0.90 0.00 0.00 13 E 8.07 4.04 0.00 1.97 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 2.34 2.38 0.00 14 R 7.74 3.84 0.00 1.89 1.85 0.00 3.28 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 15 V 7.60 3.54 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 1.26 0.00 0.00 0.85 0.00 0.00 16 E 8.34 4.01 0.00 2.18 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 2.36 2.48 0.00 17 K 8.24 3.90 0.00 1.84 1.78 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 18 A 7.76 3.71 0.35 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 0.00 0.00 0.00 19 L 8.12 4.10 0.00 1.97 1.87 1.19 1.00 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 20 A 8.04 4.07 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 21 R 7.63 4.19 0.00 1.76 1.95 0.00 3.04 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 22 S 8.45 4.72 0.00 3.92 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 23 G 8.74 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 24 E 9.05 3.99 0.00 2.18 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 2.52 0.00 25 N 7.96 4.41 0.00 3.00 2.93 0.00 0.00 6.98 6.87 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 26 F 8.22 4.44 0.00 3.04 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 27 A 8.13 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.06 3.90 0.00 1.86 2.01 0.00 3.19 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 29 R 7.50 4.04 0.00 1.82 1.97 0.00 3.29 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 30 I 7.11 3.69 1.47 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.15 0.54 0.00 0.00 31 L 7.31 4.85 0.00 1.48 1.52 0.47 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.64 3.98 4.19 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 1.27 0.00 0.00 33 D 8.57 4.37 0.00 2.64 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.95 4.24 0.00 3.89 3.86 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 35 E 8.29 4.14 0.00 2.25 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 0.00 2.41 2.40 0.00 36 L 7.88 4.04 0.00 1.89 1.60 0.94 0.62 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 37 E 7.93 3.91 0.00 2.00 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 2.33 2.34 0.00 38 Q 8.01 3.96 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 39 F 7.97 2.90 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 40 H 8.24 4.01 0.00 3.21 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.39 4.07 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 42 S 6.89 4.11 0.00 3.50 3.45 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 43 K 8.45 4.40 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.35 7.81 44 Q 7.96 4.59 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 45 Q 7.97 3.97 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 1.60 2.15 0.00 46 G 8.13 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 0.00 0.00 0.00 47 R 8.02 3.98 0.00 2.06 2.04 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.55 4.03 0.00 3.32 3.37 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 49 L 8.85 4.19 0.00 2.17 1.90 0.63 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.49 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.98 0.00 1.92 1.80 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 52 R 7.91 3.91 0.00 1.98 1.97 0.00 3.24 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 53 F 8.76 3.90 0.00 3.18 3.26 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 54 A 8.66 4.57 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 55 A 8.11 3.87 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 56 K 8.24 3.50 0.00 1.88 1.84 0.00 1.83 0.00 0.00 2.16 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.70 7.81 57 E 8.14 3.61 0.00 1.99 1.87 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 2.04 1.89 0.00 58 A 8.06 3.87 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 59 A 7.79 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.55 4.12 0.00 4.06 3.80 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 61 K 7.96 3.94 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.55 7.81 62 A 8.07 4.15 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 63 L 7.80 4.04 0.00 1.88 1.94 0.95 1.30 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 64 G 8.00 4.02 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 0.00 0.00 0.00 65 T 7.64 4.22 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 1.21 0.00 0.00 66 G 7.72 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 67 I 7.80 3.93 1.62 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.27 0.62 0.00 0.00 68 A 8.46 4.19 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 69 Q 9.91 3.54 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 G 8.50 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 71 V 7.84 4.04 2.21 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 1.01 0.00 0.00 0.89 0.00 0.00 72 T 8.48 4.72 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 1.24 0.00 0.00 73 F 8.59 4.24 0.00 3.31 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 74 H 7.89 4.62 0.00 3.10 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.02 4.51 0.00 2.17 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 0.00 0.00 0.00 0.00 76 F 7.80 5.24 0.00 2.85 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 77 T 9.03 4.85 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 78 I 9.12 4.94 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 0.80 0.00 0.00 79 S 8.95 4.99 0.00 3.84 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 80 H 8.60 5.46 0.00 2.98 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.76 4.77 0.00 2.92 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 K 8.53 4.08 0.00 1.90 2.01 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 L 8.17 4.31 0.00 1.78 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.10 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 85 K 8.09 4.23 0.00 1.87 2.01 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.46 7.81 86 P 0.00 4.79 0.00 2.05 1.98 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 87 L 9.00 4.85 0.00 1.50 1.54 0.92 0.34 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 88 L 8.54 5.16 0.00 1.59 1.53 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.68 4.63 1.88 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 0.58 0.90 0.00 0.00 90 L 8.54 5.01 0.00 1.47 1.45 0.94 0.98 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 91 S 8.59 4.29 0.00 3.76 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 92 G 8.69 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 93 Q 8.58 3.94 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 94 A 7.89 3.86 0.93 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 95 A 7.71 3.88 1.35 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 0.00 0.00 0.00 96 E 8.02 3.86 0.00 2.19 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 2.30 2.52 0.00 97 L 8.23 3.95 0.00 1.94 1.70 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.27 4.01 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 99 S 8.34 4.05 0.00 4.01 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 0.00 100 Q 7.91 4.05 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 101 L 7.83 4.24 0.00 1.76 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.94 3.53 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 103 V 7.93 3.86 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 0.82 0.00 0.00 0.97 0.00 0.00 104 E 9.06 4.76 0.00 1.94 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 2.33 2.25 0.00 105 N 8.01 5.05 0.00 2.61 2.64 0.00 0.00 6.91 7.33 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 0.00 106 I 8.30 4.94 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.96 0.00 0.00 107 H 9.23 5.02 0.00 3.03 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.47 5.16 0.00 1.55 1.45 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.15 4.82 0.00 3.89 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 0.00 110 I 8.33 5.04 1.87 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 1.21 0.77 0.91 0.00 0.00 111 S 8.42 4.69 0.00 3.80 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 0.00 112 D 8.42 5.09 0.00 2.92 2.59 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 0.00 113 E 8.71 4.81 0.00 2.04 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 2.29 2.41 0.00 114 R 7.68 3.99 0.00 1.81 1.77 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 115 H 8.57 4.57 0.00 3.01 2.57 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.90 5.35 0.00 3.01 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 0.00 117 A 9.25 5.46 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 *119 A 8.22 4.54 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 0.00 120 T 8.59 5.12 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 1.25 0.00 0.00 121 V 8.95 4.96 2.02 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 1.04 0.00 0.00 0.89 0.00 0.00 122 I 8.83 5.02 1.91 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 1.23 0.62 0.98 0.00 0.00 123 L 8.77 5.10 0.00 1.60 1.56 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.21 5.05 0.00 2.03 1.90 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 2.21 2.24 0.00 125 R 8.48 4.32 0.00 2.20 1.95 0.00 3.05 0.00 0.00 3.56 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.