NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5047 8.1749 117.3729 63.6793 70.1804 172.9174 2 T 4.5957 9.0539 121.4851 60.0216 71.9488 171.4703 3 I 5.1258 9.2476 120.7877 59.3472 41.3130 174.5760 4 V 4.6528 8.9140 116.6922 59.9823 36.6778 174.2984 5 G 4.5319 8.5157 108.0494 44.7511 0.0000 172.3461 6 V 4.5891 9.2573 123.8076 61.0701 34.8865 174.4681 7 K 4.8204 8.8511 127.6412 55.9465 33.2583 176.1281 8 F 5.0966 8.3106 117.7049 54.5825 41.2106 175.6620 9 N 4.1767 8.8655 118.5188 55.7850 37.0012 174.8736 10 N 4.9568 8.1715 115.1868 51.8990 40.6263 174.5001 11 G 3.5291 6.2819 104.3302 45.3506 0.0000 172.5711 12 V 5.0475 7.8021 119.6366 60.3476 34.5976 174.6941 13 V 4.7732 9.2297 122.2955 59.9669 34.5920 174.3785 14 I 5.1907 8.4175 115.3254 59.4229 40.7514 173.9393 15 A 4.8546 8.8289 123.8500 51.1892 23.1465 174.5580 16 A 5.4530 8.4074 118.5590 52.0625 22.2093 175.9735 17 D 4.7543 8.5904 120.0462 52.6221 41.9479 176.1411 18 T 4.7411 8.2183 105.3048 61.4649 70.2475 173.0177 19 R 4.6094 8.4464 122.5229 55.9762 31.4326 175.4751 20 S 4.8819 9.0315 120.7866 56.6454 65.0763 172.7415 21 T 5.1353 8.6422 116.2980 60.1493 72.1064 173.9938 22 Q 4.2858 8.9730 121.9778 53.5676 30.5749 176.5620 23 G 3.8312 8.6771 117.2534 46.3445 0.0000 171.0189 24 P 4.5957 0.0000 0.0000 62.5673 31.9252 175.5067 25 I 4.2311 7.5017 121.1699 59.8320 38.5284 175.2687 26 V 4.3233 8.2034 124.5796 61.9116 30.8630 175.4486 27 A 4.1432 8.5996 132.0960 54.3609 18.7283 177.3503 28 D 4.6877 7.7349 114.8239 52.7177 43.7876 175.6579 29 K 4.3078 8.7321 125.0555 57.6681 33.0609 176.3166 30 N 5.3077 8.7586 118.6098 51.9126 37.8764 173.3133 31 C 4.6388 8.5074 114.0946 58.0391 31.7766 173.8861 32 A 4.6968 8.4148 120.6469 50.4544 20.0162 176.4282 33 K 4.2438 8.7844 121.1272 57.2280 33.8324 176.3533 34 L 4.9824 7.7953 121.0237 54.1234 42.4275 175.7515 35 H 5.0285 9.9640 122.3535 53.9186 32.3286 173.0509 36 R 3.4762 7.9251 120.9596 54.8170 30.6382 175.8274 37 I 3.9616 8.4422 127.9742 62.9502 38.2462 175.6463 38 S 4.5842 7.2119 112.1472 55.8420 66.1485 172.5533 39 P 4.3450 0.0000 0.0000 65.4062 31.1382 177.9299 40 K 4.7472 8.1467 114.9679 55.9504 32.8147 175.2284 41 I 5.0730 7.9866 120.0403 59.7519 40.0818 174.5700 42 W 5.0906 9.1585 127.1835 55.0049 32.3339 174.8934 43 C 5.3920 9.8389 122.1682 57.7187 34.8985 172.3150 44 A 5.3327 9.2390 127.4171 50.1617 21.0517 175.6411 45 G 4.5466 8.8903 109.4273 44.3582 0.0000 172.1484 46 A 4.8386 9.5572 124.4558 49.7801 22.9602 175.4307 47 G 4.1390 8.9825 103.5021 44.8913 0.0000 176.1051 48 T 4.0968 9.3828 123.9183 62.7710 68.2963 174.8265 49 A 4.0204 9.0167 129.5468 55.5527 18.2868 178.9303 50 A 3.9841 8.0102 118.2655 55.1939 18.3671 179.5766 51 D 4.2378 7.8898 117.3262 57.7408 41.2680 178.8003 52 T 3.8841 7.9744 110.3275 64.7176 68.6047 176.1395 53 E 3.6150 8.1932 121.8481 58.9137 29.7653 178.6542 54 A 3.9376 8.0258 121.1113 55.1132 18.5290 180.0357 55 V 3.5410 8.1516 118.1827 65.1863 31.6248 178.8434 56 T 3.8461 7.7328 116.1011 66.4051 68.1523 176.7384 57 Q 3.9895 8.0206 120.0276 58.2734 28.7823 178.3289 58 L 3.8589 7.8936 121.4858 58.3703 42.2399 179.1950 59 I 3.8144 7.6659 119.7044 64.1212 36.9508 178.7013 60 G 3.5558 7.9356 106.5032 47.6537 0.0000 175.7160 61 S 4.0573 8.2730 115.7454 61.4037 62.4130 176.1423 62 N 4.3927 8.1835 119.0646 56.1896 38.1022 177.5997 63 I 3.6916 8.3572 121.8135 64.1331 37.1496 177.9925 64 E 3.9143 8.2850 120.1631 59.4304 29.5560 178.8878 65 L 4.0250 7.9961 118.9470 58.0407 41.5313 179.1067 66 H 4.1608 8.5110 118.5910 59.1746 29.8096 177.2486 67 S 4.2128 8.4746 115.3612 61.5019 62.0090 176.2130 68 L 4.0223 7.9187 120.6048 57.9488 41.4268 178.5762 69 Y 4.1013 8.0820 118.9480 60.1936 38.3037 176.9974 70 T 4.3468 8.4286 108.9996 60.8556 69.2493 175.2574 71 S 3.9571 7.9628 116.5673 59.7207 61.0724 171.8746 72 R 4.7771 7.2168 117.2329 53.9174 33.5560 175.4741 73 E 4.1825 8.5336 119.3099 55.6065 30.1352 175.6416 74 P 4.4542 0.0000 0.0000 62.6917 32.3319 176.0025 75 R 4.8176 8.1599 120.0550 54.2927 32.6106 177.5787 76 V 3.6231 8.9238 121.3487 66.3391 31.5095 179.0942 77 V 3.6685 7.7656 111.3142 63.9487 31.2799 178.6480 78 S 4.0765 7.9933 115.2962 61.4404 62.7852 176.3030 79 A 3.9506 7.9225 122.9769 54.9559 18.0292 179.2960 80 L 3.8758 8.1106 118.9793 58.3884 42.2340 179.0562 81 Q 3.9278 8.0962 119.5363 59.4744 28.8644 178.0731 82 M 4.1092 8.2741 119.9137 58.0919 31.9179 178.8433 83 L 4.0320 8.1218 119.5211 57.6902 41.8350 179.6378 84 K 4.0671 8.2681 118.9949 60.2618 32.5103 179.1977 85 Q 4.1085 8.1869 119.1088 58.4911 28.3308 178.2042 86 H 4.2809 7.8623 119.0721 59.3781 30.1220 177.0391 87 L 4.1776 8.4535 121.3015 57.6215 41.3996 179.2958 88 F 3.9834 8.7044 121.1617 61.1477 39.1399 176.9566 89 K 3.8153 7.8124 117.5951 59.4060 32.0799 177.1788 90 Y 4.2662 7.5172 115.1848 56.6160 37.8682 175.5865 91 Q 2.9162 7.7085 118.0116 56.7798 25.9164 175.8867 *93 G 4.1057 7.8132 104.4453 45.4239 0.0000 175.1188 94 H 4.3099 8.5828 116.9927 57.6423 28.8616 175.4964 95 I 4.1982 6.9060 118.1209 59.6005 37.0317 176.8673 96 G 4.0737 8.9388 118.4489 45.7712 0.0000 171.0273 97 A 5.1208 7.3749 119.8890 50.3846 21.8605 177.1142 98 Y 4.5135 8.8960 120.2369 56.2475 40.9055 174.8911 99 L 5.3849 8.6939 123.3135 52.8865 46.0141 176.5625 100 I 4.5418 8.7955 122.3445 59.7680 39.5714 174.7050 101 V 4.8504 8.4266 126.9117 60.0563 33.1186 175.1207 102 A 4.8004 9.6568 125.4683 49.5990 23.3106 175.1157 103 G 4.3421 7.6418 108.8159 45.8043 0.0000 172.1339 104 V 4.5593 7.9468 112.6661 59.5684 34.5554 176.1458 105 D 4.2667 8.3904 121.0459 53.9205 38.9728 175.0522 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 T 8.17 4.50 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 1.23 0.00 0.00 2 T 9.05 4.60 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 1.21 0.00 0.00 3 I 9.25 5.13 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.94 0.00 0.00 4 V 8.91 4.65 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 0.74 0.00 0.00 0.95 0.00 0.00 5 G 8.52 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.26 4.59 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.96 0.00 0.00 7 K 8.85 4.82 0.00 1.68 1.66 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.37 7.81 8 F 8.31 5.10 0.00 3.18 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 9 N 8.87 4.18 0.00 2.89 3.10 0.00 0.00 5.73 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 10 N 8.17 4.96 0.00 2.70 2.92 0.00 0.00 6.80 7.98 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 11 G 6.28 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.80 5.05 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 0.71 0.00 0.00 1.01 0.00 0.00 13 V 9.23 4.77 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 1.02 0.00 0.00 0.94 0.00 0.00 14 I 8.42 5.19 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 15 A 8.83 4.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.41 5.45 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 17 D 8.59 4.75 0.00 2.70 2.72 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 T 8.22 4.74 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 1.23 0.00 0.00 19 R 8.45 4.61 0.00 1.86 2.04 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 9.03 4.88 0.00 3.91 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 21 T 8.64 5.14 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 Q 8.97 4.29 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.66 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 23 G 8.68 3.83 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 0.00 24 P 0.00 4.60 0.00 2.18 2.16 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 25 I 7.50 4.23 2.00 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 1.18 0.48 0.91 0.00 0.00 26 V 8.20 4.32 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 0.78 0.00 0.00 0.93 0.00 0.00 27 A 8.60 4.14 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 28 D 7.73 4.69 0.00 2.66 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 0.00 0.00 0.00 0.00 29 K 8.73 4.31 0.00 1.79 1.84 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.76 5.31 0.00 2.66 2.69 0.00 0.00 7.18 7.80 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 31 C 8.51 4.64 0.00 3.04 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 32 A 8.41 4.70 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 33 K 8.78 4.24 0.00 1.73 2.00 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.80 4.98 0.00 1.60 1.86 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.96 5.03 0.00 2.91 3.07 0.00 5.59 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 36 R 7.93 3.48 0.00 0.67 1.12 0.00 3.07 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 37 I 8.44 3.96 1.92 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 1.27 0.94 0.85 0.00 0.00 38 S 7.21 4.58 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.35 0.00 2.12 2.26 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 40 K 8.15 4.75 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 I 7.99 5.07 1.87 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 1.27 0.71 1.00 0.00 0.00 42 W 9.16 5.09 0.00 3.30 3.28 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 43 C 9.84 5.39 0.00 2.91 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 44 A 9.24 5.33 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 45 G 8.89 4.55 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 0.00 46 A 9.56 4.84 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 47 G 8.98 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 48 T 9.38 4.10 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 49 A 9.02 4.02 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 50 A 8.01 3.98 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 51 D 7.89 4.24 0.00 2.95 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 52 T 7.97 3.88 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 1.39 0.00 0.00 53 E 8.19 3.61 0.00 2.14 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 0.00 2.28 2.44 0.00 54 A 8.03 3.94 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 55 V 8.15 3.54 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 0.82 0.00 0.00 0.93 0.00 0.00 56 T 7.73 3.85 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 1.09 0.00 0.00 57 Q 8.02 3.99 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 58 L 7.89 3.86 0.00 1.77 1.54 0.88 0.71 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 59 I 7.67 3.81 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.32 0.87 0.00 0.00 60 G 7.94 3.56 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 0.00 0.00 0.00 0.00 61 S 8.27 4.06 0.00 3.91 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 62 N 8.18 4.39 0.00 2.75 2.82 0.00 0.00 7.11 6.63 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 63 I 8.36 3.69 2.05 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 1.48 0.96 0.90 0.00 0.00 64 E 8.28 3.91 0.00 2.09 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 0.00 2.31 2.36 0.00 65 L 8.00 4.02 0.00 1.91 1.73 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.51 4.16 0.00 3.25 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.47 4.21 0.00 4.04 4.06 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 68 L 7.92 4.02 0.00 1.94 1.76 0.93 0.77 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 69 Y 8.08 4.10 0.00 3.08 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 70 T 8.43 4.35 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 1.17 0.00 0.00 71 S 7.96 3.96 0.00 4.04 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 72 R 7.22 4.78 0.00 1.96 1.80 0.00 3.19 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 73 E 8.53 4.18 0.00 1.98 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 2.33 2.29 0.00 74 P 0.00 4.45 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 75 R 8.16 4.82 0.00 1.85 1.89 0.00 3.14 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 8.92 3.62 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 1.12 0.00 0.00 1.04 0.00 0.00 77 V 7.77 3.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 78 S 7.99 4.08 0.00 4.04 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.92 3.95 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 80 L 8.11 3.88 0.00 1.90 1.86 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.10 3.93 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.27 4.11 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 83 L 8.12 4.03 0.00 1.88 1.72 0.94 0.67 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 84 K 8.27 4.07 0.00 2.00 2.15 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.54 7.81 85 Q 8.19 4.11 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 86 H 7.86 4.28 0.00 3.24 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.45 4.18 0.00 1.73 1.69 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.70 3.98 0.00 3.25 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 89 K 7.81 3.82 0.00 1.91 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.83 1.27 7.81 90 Y 7.52 4.27 0.00 2.96 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 91 Q 7.71 2.92 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.45 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 *93 G 7.81 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 94 H 8.58 4.31 0.00 3.32 3.40 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 95 I 6.91 4.20 1.78 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.28 0.86 0.00 0.00 96 G 8.94 4.07 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 0.00 0.00 0.00 97 A 7.37 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.90 4.51 0.00 3.05 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 99 L 8.69 5.38 0.00 1.51 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.80 4.54 1.93 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 1.34 0.92 0.96 0.00 0.00 101 V 8.43 4.85 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.66 4.80 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 0.00 103 G 7.64 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.95 4.56 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 0.74 0.00 0.00 0.96 0.00 0.00 105 D 8.39 4.27 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.