NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2539 8.0393 113.9442 61.3393 33.5035 173.7181 3 Q 4.5049 7.9968 117.9757 54.0692 31.8333 172.8863 4 L 5.1724 8.6919 120.7491 53.0704 44.8321 176.9928 5 V 4.3466 8.3989 123.8213 61.2725 33.7877 174.2608 6 E 5.1745 8.9068 129.0922 55.6574 31.9528 176.6070 7 S 4.4401 9.6405 124.9985 58.1108 65.0293 171.2484 8 G 4.1398 8.3175 106.7808 45.8972 0.0000 172.0140 9 G 3.7034 8.7946 104.4711 44.0204 0.0000 172.3994 10 G 4.0176 7.6921 105.2767 43.1706 0.0000 172.4208 11 S 5.3532 8.1959 114.8585 56.6340 64.8395 173.9003 12 V 4.5651 9.0147 122.1509 59.9586 35.6124 173.7943 13 Q 4.8782 8.4116 121.1949 54.3030 30.8281 174.6008 14 A 4.2124 8.5235 128.4189 54.4204 18.7367 177.8979 15 G 3.9604 9.4867 112.3480 45.0758 0.0000 173.9146 16 G 3.8375 8.4026 107.4083 46.2521 0.0000 172.5110 17 S 5.3449 8.0329 114.9802 56.6867 65.1717 172.4602 18 L 4.5565 6.9006 122.8944 54.6352 46.1791 172.6084 19 R 4.5262 7.7919 126.1801 54.5024 32.5776 174.2603 20 L 4.4250 8.1050 127.0677 54.0928 43.3676 176.0645 21 S 5.3986 8.8175 115.9637 56.9755 66.6926 171.8366 22 C 5.5262 9.5898 124.4959 55.3825 43.1600 172.6204 23 T 5.1833 8.7765 122.0494 61.6006 71.5609 172.8571 24 A 4.6196 8.5134 128.5589 51.4143 19.4624 176.7383 25 S 4.3675 8.5163 117.6874 57.1992 65.7481 175.1070 26 G 3.7888 8.6279 107.0114 46.9372 0.0000 173.7183 27 G 3.9874 7.8827 120.8846 45.0486 0.0000 171.6516 28 S 4.4775 8.5849 112.8554 58.4864 65.2401 174.1486 *31 S 4.3139 7.7327 113.7311 57.9733 63.3510 173.6995 32 Y 3.9102 8.6580 127.4825 60.7183 39.0449 177.7980 33 S 4.4247 8.3664 113.3067 60.6954 61.5805 175.4492 34 T 4.1971 7.8874 116.8608 64.6203 68.7736 174.1562 35 F 5.0378 8.4992 120.3661 55.9815 41.5065 175.3129 36 S 4.8477 8.6861 116.6239 56.7918 65.5255 173.3970 37 L 5.5182 9.0879 123.8915 53.3692 45.0148 175.7574 38 G 4.3509 8.4855 107.0179 45.1852 0.0000 171.9756 39 W 5.3497 9.8892 125.5597 55.5830 30.9904 175.7013 40 F 5.4202 9.5801 122.6130 55.8482 42.8336 173.9708 41 R 5.1239 9.0782 115.6245 55.4858 33.6704 174.2911 42 Q 4.7281 8.7384 120.1167 55.5834 31.3068 173.8400 43 A 4.7448 8.6164 129.8913 50.0611 20.3083 174.2318 44 P 4.4288 0.0000 0.0000 64.5896 31.5967 175.8435 45 G 4.4113 9.1068 118.0903 46.1443 0.0000 173.9606 46 Q 4.1594 6.9734 118.6981 54.9440 29.2344 176.1990 47 E 4.2847 8.3103 120.0235 55.5596 30.7224 176.1478 48 R 4.4582 8.3060 120.4455 55.9798 30.7827 175.0358 49 E 4.9832 8.9301 122.7356 54.3923 33.0308 174.7304 50 A 3.6620 8.4168 122.2037 51.5610 19.3892 176.9176 51 V 4.1861 8.6966 121.1441 64.1679 33.7708 175.4177 52 A 5.1073 7.6061 118.6775 51.1676 22.4776 174.8028 53 A 5.1550 8.9604 121.2468 50.6178 23.7027 175.2554 54 I 5.1026 9.7505 120.1091 59.5119 40.2565 174.8503 55 A 4.3042 9.2076 131.9007 51.6384 20.0105 177.3256 56 S 4.4568 8.0176 113.6192 59.5973 65.8477 173.7437 57 M 3.1426 7.6550 115.2219 55.6167 29.2226 177.2992 58 G 4.4679 8.6085 119.6319 46.7806 0.0000 173.7300 59 G 4.2127 7.3411 109.7622 44.4483 0.0000 173.4363 60 L 4.2654 8.2800 120.0413 54.6531 42.6150 176.2473 61 T 5.0366 8.1420 113.1204 60.1980 71.4284 173.1311 62 Y 4.6483 8.4930 119.6701 56.6047 42.4596 173.9181 63 Y 5.2134 8.4910 118.7162 55.9581 42.0474 175.2143 64 A 4.1923 8.9693 124.2283 52.0787 19.7150 178.6276 65 D 4.3347 8.9498 119.6124 57.6180 41.0738 179.4189 66 S 4.0673 8.0188 111.8132 60.7153 62.8513 175.2313 67 V 3.8815 7.2353 112.0223 60.2327 32.6263 175.3116 68 K 3.9534 7.7691 122.6120 57.5369 32.6521 174.9033 69 G 4.2275 8.7918 115.4111 46.2349 0.0000 174.9575 70 R 4.1969 7.8913 118.0612 58.4170 30.8051 176.4575 71 F 4.7850 7.9976 115.5895 57.5989 40.0671 175.5527 72 T 4.5607 9.0036 119.2362 62.0108 71.8325 172.6906 73 I 5.1588 9.2491 127.9354 60.2611 39.6652 174.7005 74 S 4.9888 9.4947 122.6667 57.5763 67.0292 172.4474 75 R 5.2443 8.4171 114.7896 54.9805 32.6677 174.5233 76 D 4.7193 9.2631 120.3388 52.5297 42.5855 175.9133 77 N 4.5873 9.0000 124.6415 56.0818 39.1642 177.8863 78 A 3.9702 8.1567 120.3533 54.9717 18.5119 178.3521 79 K 4.0616 8.9638 112.6695 56.0617 33.1960 176.2734 80 N 3.1400 7.2636 115.4807 53.9543 36.2873 173.6941 81 T 5.1897 7.6258 113.3096 61.9784 73.7865 174.8750 82 V 5.0446 9.1141 124.9417 61.6110 34.5289 174.5084 83 T 5.2678 9.5435 123.2570 61.7394 72.8579 172.7483 84 L 4.9215 8.6150 126.8920 53.3450 44.8798 175.1819 85 Q 4.4355 9.0254 130.1258 55.1389 30.0908 174.1579 86 M 3.7904 8.0429 127.8177 54.2287 32.9554 176.1594 87 N 4.3606 8.4255 120.0495 54.4448 39.8608 176.1615 88 N 4.7744 7.6438 117.3834 51.6787 36.9345 173.6859 89 L 4.4445 8.2013 121.3718 55.1639 43.3504 177.5350 90 K 4.9644 9.1441 122.2823 53.7341 35.5287 175.5829 91 P 4.5915 0.0000 0.0000 65.0051 31.4434 178.6886 92 E 4.0568 8.1387 116.1990 58.9249 29.5067 177.6714 93 D 4.6249 8.5491 118.0392 56.3823 41.2272 176.3632 94 T 4.2276 7.9326 116.0653 64.8113 69.1128 173.4824 95 A 4.3475 8.6018 127.7100 51.8000 24.0020 174.2806 96 I 4.6917 7.7265 119.4274 60.4714 39.3018 174.0049 97 Y 5.1420 9.2431 128.1060 57.1609 39.6947 174.4625 98 Y 5.3168 9.3615 121.9103 55.9216 41.3227 173.7556 99 C 4.5444 8.9407 121.2233 54.9099 46.7962 172.2283 100 A 4.8579 7.6220 124.1899 50.5532 22.4471 174.8419 101 A 5.7268 9.1851 121.2310 50.7659 23.5831 175.6992 102 V 4.4575 8.6537 118.2284 60.0647 35.0847 175.0324 103 R 3.7154 8.1809 125.2695 54.0353 27.6011 175.9797 104 G 3.8969 7.3322 108.5480 45.4838 0.0000 169.4227 105 Y 4.3455 8.0028 120.0148 56.3552 41.9726 174.6934 106 F 4.3397 5.6583 115.6398 56.3681 39.8894 173.1555 107 M 4.6654 8.0185 116.8878 53.1828 31.4859 175.4277 108 R 4.1498 6.9628 115.1706 55.3380 34.3951 175.0405 109 L 3.7655 8.1550 122.5297 54.2392 41.7674 175.0806 110 P 4.1377 0.0000 0.0000 62.5450 32.0829 174.9569 111 S 5.0172 8.0922 112.8959 56.0930 65.6357 175.0446 112 S 4.3485 8.7968 113.9866 61.1870 62.7161 175.6409 113 H 4.6335 7.8086 116.3507 57.4542 28.6724 175.6717 114 N 4.5977 8.1958 115.6701 53.5098 38.9479 174.9614 115 F 4.7129 7.7537 115.9987 55.7924 41.0831 175.2583 116 R 4.5587 8.5628 118.7609 57.5156 31.6036 175.7840 117 Y 5.0410 8.2012 118.2942 56.3558 39.4600 175.1910 118 W 5.3290 9.0450 123.0632 54.9339 33.3427 175.4489 119 G 4.1529 9.1204 110.6374 45.6370 0.0000 173.5275 120 Q 4.5039 8.8704 117.0112 55.8202 29.2329 176.7736 121 G 3.6608 10.3907 104.6723 45.4039 0.0000 173.6111 122 T 4.4970 7.8867 115.2060 62.1483 73.1931 173.4239 123 Q 4.3767 8.8599 128.9177 56.1734 30.7601 174.9003 124 V 4.8138 8.6885 124.9469 61.5283 35.0878 174.0195 125 T 4.8848 8.7922 124.3372 61.8250 71.6999 172.9303 126 V 4.9265 8.9758 127.7454 61.0767 33.7896 174.6804 127 S 4.9234 8.6437 121.7362 56.0047 66.7731 173.1927 128 S 4.3001 8.6655 118.5863 59.0594 62.6916 174.8634 *129 R 4.1503 8.5202 124.7598 56.5122 29.8986 171.5813 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 V 8.04 4.25 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 0.80 0.00 0.00 -0.12 0.00 0.00 3 Q 8.00 4.50 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 4 L 8.69 5.17 0.00 1.52 1.56 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.40 4.35 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 0.98 0.00 0.00 0.92 0.00 0.00 6 E 8.91 5.17 0.00 2.05 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 0.00 2.36 2.35 0.00 7 S 9.64 4.44 0.00 3.38 3.76 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 8 G 8.32 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.79 3.70 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 0.00 0.00 0.00 10 G 7.69 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 11 S 8.20 5.35 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 9.01 4.57 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 0.66 0.00 0.00 0.92 0.00 0.00 13 Q 8.41 4.88 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 14 A 8.52 4.21 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 15 G 9.49 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 16 G 8.40 3.84 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 0.00 0.00 0.00 17 S 8.03 5.34 0.00 3.81 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 18 L 6.90 4.56 0.00 1.57 1.20 0.77 0.73 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 19 R 7.79 4.53 0.00 1.77 1.64 0.00 3.22 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 20 L 8.10 4.42 0.00 0.51 0.71 0.15 0.17 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 21 S 8.82 5.40 0.00 3.90 3.70 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 22 C 9.59 5.53 0.00 2.86 2.82 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 23 T 8.78 5.18 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 1.15 0.00 0.00 24 A 8.51 4.62 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 25 S 8.52 4.37 0.00 3.86 3.76 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 26 G 8.63 3.79 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 0.00 0.00 0.00 27 G 7.88 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 28 S 8.58 4.48 0.00 3.89 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 *31 S 7.73 4.31 0.00 3.95 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 32 Y 8.66 3.91 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.37 4.42 0.00 4.08 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 34 T 7.89 4.20 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 35 F 8.50 5.04 0.00 2.45 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 36 S 8.69 4.85 0.00 3.36 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 37 L 9.09 5.52 0.00 1.61 1.50 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.49 4.35 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 0.00 39 W 9.89 5.35 0.00 3.37 3.38 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 40 F 9.58 5.42 0.00 3.36 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 41 R 9.08 5.12 0.00 1.00 0.86 0.00 2.43 0.00 0.00 2.72 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 42 Q 8.74 4.73 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 43 A 8.62 4.74 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 44 P 0.00 4.43 0.00 2.07 2.05 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 45 G 9.11 4.41 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 0.00 46 Q 6.97 4.16 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 47 E 8.31 4.28 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 48 R 8.31 4.46 0.00 1.73 1.77 0.00 3.22 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 49 E 8.93 4.98 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 50 A 8.42 3.66 0.76 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 0.00 0.00 51 V 8.70 4.19 2.47 0.00 0.00 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 0.94 0.00 0.00 52 A 7.61 5.11 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 53 A 8.96 5.16 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 54 I 9.75 5.10 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.84 1.10 0.00 0.00 55 A 9.21 4.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.02 4.46 0.00 4.24 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 57 M 7.65 3.14 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 58 G 8.61 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.34 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 60 L 8.28 4.27 0.00 1.82 1.62 0.93 0.69 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 61 T 8.14 5.04 3.84 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 1.29 0.00 0.00 62 Y 8.49 4.65 0.00 2.89 2.82 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 63 Y 8.49 5.21 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.97 4.19 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 65 D 8.95 4.33 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.07 0.00 3.90 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 67 V 7.24 3.88 0.67 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 0.08 0.00 0.00 0.82 0.00 0.00 68 K 7.77 3.95 0.00 1.87 1.68 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.35 7.81 69 G 8.79 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 70 R 7.89 4.20 0.00 2.13 2.15 0.00 3.38 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 71 F 8.00 4.78 0.00 2.82 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 72 T 9.00 4.56 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 1.29 0.00 0.00 73 I 9.25 5.16 2.21 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 1.01 0.00 0.00 74 S 9.49 4.99 0.00 3.91 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 75 R 8.42 5.24 0.00 2.00 2.04 0.00 3.06 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 76 D 9.26 4.72 0.00 2.70 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 77 N 9.00 4.59 0.00 2.88 3.01 0.00 0.00 6.93 7.54 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 78 A 8.16 3.97 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 79 K 8.96 4.06 0.00 1.63 1.78 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.54 7.81 80 N 7.26 3.14 0.00 2.61 2.10 0.00 0.00 6.64 6.93 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 81 T 7.63 5.19 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 1.29 0.00 0.00 82 V 9.11 5.04 2.18 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 1.32 0.00 0.00 1.06 0.00 0.00 83 T 9.54 5.27 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 1.29 0.00 0.00 84 L 8.62 4.92 0.00 0.56 0.35 1.10 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 9.03 4.44 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 86 M 8.04 3.79 0.00 0.89 1.44 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 0.00 87 N 8.43 4.36 0.00 2.74 2.81 0.00 0.00 6.92 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 88 N 7.64 4.77 0.00 2.73 2.77 0.00 0.00 6.97 7.78 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 89 L 8.20 4.44 0.00 1.73 1.60 0.77 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 K 9.14 4.96 0.00 1.72 1.84 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.63 7.81 91 P 0.00 4.59 0.00 2.19 2.14 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 92 E 8.14 4.06 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 93 D 8.55 4.62 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.93 4.23 4.41 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 1.32 0.00 0.00 95 A 8.60 4.35 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 96 I 7.73 4.69 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 1.27 1.02 0.00 0.00 97 Y 9.24 5.14 0.00 3.00 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 98 Y 9.36 5.32 0.00 3.28 3.21 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 99 C 8.94 4.54 0.00 2.30 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 0.00 100 A 7.62 4.86 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 9.19 5.73 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 0.00 102 V 8.65 4.46 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 0.36 0.00 0.00 0.83 0.00 0.00 103 R 8.18 3.72 0.00 1.12 1.55 0.00 3.12 0.00 0.00 3.08 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 0.00 104 G 7.33 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 0.00 105 Y 8.00 4.35 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 5.66 4.34 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.02 4.67 0.00 2.10 2.20 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 2.43 2.40 0.00 108 R 6.96 4.15 0.00 1.76 1.65 0.00 3.33 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 109 L 8.15 3.77 0.00 1.65 1.57 0.80 0.89 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 0.00 110 P 0.00 4.14 0.00 1.99 0.49 0.00 3.46 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.38 0.00 111 S 8.09 5.02 0.00 4.15 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 0.00 112 S 8.80 4.35 0.00 3.79 4.17 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 0.00 113 H 7.81 4.63 0.00 3.26 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.20 4.60 0.00 2.46 2.59 0.00 0.00 6.87 7.50 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 0.00 115 F 7.75 4.71 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.56 4.56 0.00 1.55 1.87 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.39 0.00 117 Y 8.20 5.04 0.00 3.20 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 W 9.04 5.33 0.00 3.07 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 0.00 119 G 9.12 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 0.00 120 Q 8.87 4.50 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 121 G 10.39 3.66 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 0.00 0.00 0.00 122 T 7.89 4.50 4.46 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 1.25 0.00 0.00 123 Q 8.86 4.38 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 124 V 8.69 4.81 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 0.73 0.00 0.00 0.52 0.00 0.00 125 T 8.79 4.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 126 V 8.98 4.93 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 1.01 0.00 0.00 0.94 0.00 0.00 127 S 8.64 4.92 0.00 3.91 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 0.00 128 S 8.67 4.30 0.00 3.91 3.84 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 *129 R 8.52 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.