NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3086 8.2493 123.5849 52.1194 21.1876 177.5051 2 T 4.1780 7.4530 104.7585 60.1665 71.6738 174.0334 3 L 4.0663 8.6097 122.1668 57.9367 41.9351 181.0601 4 K 3.9994 8.0213 119.1938 59.4859 32.2650 178.4760 5 D 4.3675 7.8628 119.0117 57.4725 40.7792 178.9015 6 I 3.7864 7.8578 120.2411 64.7985 37.2229 178.5533 7 T 3.8754 8.2302 116.6835 66.5736 68.2545 176.6889 8 R 3.8765 7.8705 120.2045 59.4957 30.2123 178.7280 9 R 3.9550 8.0503 117.8659 59.2762 30.0765 179.0630 10 L 3.9811 8.4234 119.2348 57.6270 41.5845 179.4932 11 K 3.9484 8.0377 119.8111 59.2993 32.1055 179.0636 12 S 4.1784 7.9307 114.1680 61.4359 63.3057 176.4986 13 I 3.8855 7.8204 123.1207 63.4094 36.3731 178.5112 14 K 4.0299 7.9969 119.8503 59.2310 31.7047 179.0412 15 N 4.3318 7.7949 116.2217 56.4264 38.4927 177.1710 16 I 3.6379 7.7209 121.1056 64.7901 37.2866 178.0567 17 Q 3.9415 8.0204 119.8197 59.3090 28.9004 178.6659 18 K 4.0548 7.6942 118.8047 59.2198 32.0285 179.5887 19 I 3.6744 8.0698 120.7203 64.6839 37.0289 178.5650 20 T 4.0201 8.1851 110.8846 64.7404 68.3264 176.2303 21 K 3.9594 7.9782 122.0185 59.0893 32.1897 178.8530 22 S 4.0882 7.9985 113.6515 61.6533 62.2825 176.0909 23 M 4.0727 8.6449 121.7855 58.0933 31.6682 178.4157 24 K 3.8540 8.1191 119.8620 60.0235 32.3880 178.7294 25 M 4.0779 7.8945 118.4340 58.1737 31.7300 178.8661 26 V 3.5591 7.8124 118.2056 66.1139 31.7037 177.9893 27 A 4.1345 8.4565 119.8724 54.2576 18.0517 179.4332 28 A 4.0356 7.9160 119.8485 55.1918 18.6623 179.6851 29 A 4.0450 7.9635 118.7997 55.0529 18.3057 180.0028 30 K 4.0356 7.9984 117.0869 59.2840 32.0939 179.1067 31 Y 4.0405 7.8995 120.0759 60.7105 38.6989 177.5736 32 A 3.6037 7.7988 121.3909 54.9966 18.4952 179.9289 33 R 3.7737 7.5141 115.6967 59.3151 30.0244 178.8655 34 A 4.0330 7.3878 118.3661 53.8060 18.2176 178.6853 35 E 3.6378 7.5158 118.2971 58.6624 29.6320 178.6357 36 R 3.9648 7.2974 116.8044 58.5817 30.3146 177.2565 37 E 4.1355 7.6626 116.6082 57.2839 30.4135 177.2933 38 L 4.0750 7.4621 119.7462 58.3577 42.3721 178.6329 39 K 3.9456 8.2771 117.7331 59.2378 30.7047 177.3845 40 P 4.2667 0.0000 0.0000 64.9754 31.4473 177.4820 41 A 4.1356 7.7758 118.9531 52.5553 18.9776 178.5178 42 R 4.5856 7.8526 116.9064 59.0319 30.6000 179.3397 43 V 3.6619 7.7226 118.2212 64.7697 31.3369 177.4475 44 Y 3.9703 7.7807 119.0765 60.3582 38.3561 177.9918 45 G 3.0782 8.0220 105.9049 46.8505 0.0000 175.0207 46 V 3.5734 7.0288 120.3871 65.7257 31.5806 176.9017 47 G 3.7555 7.3029 105.6978 46.0369 0.0000 174.1519 *72 S 4.3361 8.5930 113.3724 56.9753 64.0368 175.3394 73 S 4.5551 8.3190 115.9473 58.2025 66.2345 177.2186 74 D 4.2991 8.5337 119.3790 56.9654 40.9068 177.6025 75 R 4.1369 7.3775 120.0035 55.8578 31.1556 176.1432 76 G 4.0741 8.4569 119.4983 44.5647 0.0000 173.6666 77 L 3.7476 8.6928 115.6374 56.0127 39.2895 173.9656 78 C 4.8227 7.3645 107.9582 57.6073 30.7182 174.2338 79 G 3.8466 8.1376 109.2409 47.8625 0.0000 174.5103 80 A 4.5764 7.9849 127.3976 51.8093 18.8067 179.2728 81 I 3.5020 7.0669 119.8785 66.7600 36.5264 178.0992 82 H 4.3753 7.7950 116.1819 58.8199 28.2621 178.1108 83 S 4.1743 8.0364 115.8594 61.4618 62.7296 176.3691 84 S 4.1464 8.4041 117.0464 61.2343 62.1902 176.5837 85 V 3.7721 7.5682 113.8727 64.1092 31.0505 178.4428 86 A 4.0636 7.5832 119.4283 54.8003 18.2273 179.2641 87 K 4.0539 7.8154 117.6052 59.5514 32.3380 178.6155 88 Q 4.1054 7.6014 117.9546 59.1595 29.2900 176.3250 89 M 4.2816 7.6977 118.1955 53.7477 35.2845 174.5935 *106 I 3.9274 7.7235 119.2144 61.1593 38.3115 175.5053 107 G 4.2354 8.5348 113.1842 43.4537 0.0000 172.0134 108 V 4.1671 8.3331 120.4859 60.5853 33.4269 176.2715 109 G 3.9027 8.7875 111.6630 46.0456 0.0000 173.7159 110 D 4.4412 9.0573 122.5139 56.1950 41.2338 177.9368 111 K 4.1810 7.8075 120.5467 58.0522 31.9231 178.5944 112 I 3.9438 7.4191 119.6380 64.4362 37.2963 177.9464 113 R 4.0830 7.8690 115.7689 59.0958 29.6151 178.4307 114 S 4.3087 8.0304 114.5950 60.1113 63.0538 175.7371 115 I 3.9891 7.1295 120.5801 61.1184 38.0820 175.2882 *129 K 4.0775 7.2621 119.2990 56.3716 32.8719 174.1241 130 E 4.4297 8.8708 118.9607 56.7862 28.8384 174.1025 131 V 4.3284 7.5391 114.9284 60.5873 33.4798 175.1252 132 G 4.0527 8.9391 109.6960 46.2773 0.0000 175.1571 133 R 4.0290 7.9280 117.3101 58.7062 30.2479 176.7105 134 R 4.6427 7.5194 114.7863 53.1594 32.4871 174.3039 135 P 4.2015 0.0000 0.0000 62.1106 31.7855 174.5677 136 P 4.2663 0.0000 0.0000 63.0619 31.6996 175.9019 137 T 4.7357 8.3579 111.6463 59.5656 71.1603 175.0315 138 F 3.9089 8.8415 122.7878 60.9365 39.4779 176.4691 139 G 3.8997 8.2535 108.7845 48.2167 0.0000 174.1175 140 D 4.6941 7.2926 127.2943 54.1654 40.0692 176.7893 *161 I 4.0813 8.2001 126.9285 62.2279 38.0973 174.6568 162 F 4.8330 8.4324 118.6200 55.5836 40.6879 173.3287 163 N 4.7089 8.4408 118.8528 51.7509 39.3094 174.9788 164 R 4.3451 8.5736 126.7593 55.3413 31.2928 175.4080 165 F 4.4473 9.3371 130.3072 58.9990 39.4120 174.0231 166 R 4.1665 8.3523 124.6243 57.0612 31.4322 176.3520 167 S 4.1715 7.0599 109.1434 56.6781 66.1603 174.9592 168 V 3.7025 8.4549 112.7023 64.0665 31.2019 177.4967 169 I 4.1901 7.5193 118.1589 61.6920 38.4678 175.0598 170 S 4.6954 7.4886 112.9448 56.9430 66.1839 172.0278 171 Y 5.1684 7.5540 119.8353 55.9674 40.7781 173.4005 172 K 4.5924 8.9279 121.2300 54.9067 35.5830 174.8580 173 T 4.4681 8.3920 123.4862 62.9575 68.6684 174.5322 *206 E 4.3970 8.8308 125.2258 56.2493 31.9364 177.1012 207 Y 4.2276 7.8759 118.2649 59.4956 39.0512 177.1913 208 S 4.3912 8.0780 114.2166 60.2800 63.3631 176.0600 209 L 3.8999 7.8040 124.1868 58.1429 42.0423 178.2805 210 A 4.0063 7.4649 119.7910 54.4969 18.1075 179.3214 211 N 4.2671 7.7746 115.2336 56.3332 38.5303 177.6091 212 I 3.8102 7.2683 121.2485 64.1549 37.1150 178.2205 213 I 3.5794 7.4925 120.5464 64.7618 36.9039 177.8454 214 Y 3.8577 7.5502 119.7418 60.5766 38.5252 177.2479 215 Y 4.0454 7.8395 120.9030 60.7807 38.9787 178.2473 216 S 3.0742 7.7798 115.1078 60.7673 62.7269 176.2725 217 L 3.8065 7.3575 123.9292 57.9077 40.9707 179.0814 218 K 3.7546 7.7730 118.5610 59.1415 31.9065 179.2586 219 E 4.1769 7.8124 119.2289 59.0429 28.9172 179.1888 220 S 4.0413 7.8985 113.4954 61.6614 62.6205 176.3262 221 T 3.9914 7.6094 111.9742 64.5027 68.1474 176.7923 222 T 3.8584 7.3024 119.7068 66.6547 68.4868 176.7833 223 S 4.2094 8.0607 116.9429 61.2155 62.7502 176.4063 224 E 3.7619 8.2495 122.3198 59.4554 29.3732 178.9428 225 Q 4.0490 8.2539 117.8585 58.2420 28.6459 178.6972 226 S 3.8645 7.6944 115.3640 61.0485 63.3948 176.4049 227 A 4.0209 7.9088 124.2893 54.6520 18.1164 179.6061 228 R 4.0333 8.3591 117.8090 59.5526 30.1767 178.3976 229 M 4.0300 7.7790 118.3428 58.7348 32.1129 178.4735 230 T 3.7959 8.1042 115.7381 66.5731 68.6861 176.5788 231 A 3.9801 8.2908 123.0678 55.6944 18.5327 179.6499 232 M 4.1598 8.2113 116.8833 58.1062 32.0594 178.5575 233 D 4.3216 7.9426 118.5271 57.3822 41.3190 178.0738 234 N 4.3453 8.4232 117.1023 56.2344 38.5829 177.3869 235 A 3.9669 8.4548 122.6440 55.0361 18.5252 179.6589 236 S 4.2396 7.8976 112.7978 60.7230 62.4564 176.5619 237 K 4.0167 8.0139 121.1804 59.4497 31.7722 179.1564 238 N 4.3228 8.4995 116.8663 56.1933 38.4803 177.2496 239 A 3.9742 8.0035 122.2352 55.3633 18.4921 179.7005 240 S 4.0874 7.9379 111.1795 61.2872 62.4120 176.2901 241 E 3.9480 8.2154 121.5713 59.6599 29.2797 178.9994 242 M 4.0747 8.2449 118.1906 58.3907 32.1647 178.4783 243 I 3.7067 7.8679 120.1954 64.4816 37.3659 177.9606 244 D 4.3898 7.8727 119.2606 57.2615 40.7563 178.9567 245 K 3.9566 8.2059 120.0290 59.6159 32.2444 179.0079 246 L 4.1371 8.1233 119.1164 57.7267 41.4750 179.6504 247 T 3.9192 8.3961 116.5511 66.6027 68.4125 176.5761 248 L 4.0566 7.9994 120.9087 58.1997 41.5478 179.8272 249 T 3.9211 7.9214 115.2618 66.4349 68.3824 176.5778 250 F 4.0649 8.4827 122.6847 61.5260 39.4775 177.0307 251 N 4.4330 8.5678 116.0544 56.1794 38.2597 177.7356 252 R 3.8992 8.0765 119.6709 59.5193 30.0811 179.2519 253 T 3.7782 8.0223 115.7399 66.4001 68.3259 176.6912 254 R 3.5883 8.0545 120.9016 59.5800 30.0209 178.6103 255 Q 3.9384 7.9921 117.4560 58.8623 28.6822 178.6562 256 A 3.9575 7.9374 121.8866 55.0083 18.4214 179.7621 257 V 3.5033 8.0323 117.1608 66.1364 31.5283 178.4170 258 I 3.6733 7.5039 119.1053 64.6709 36.9382 178.3240 259 T 3.8121 7.8951 116.4542 66.5692 68.3585 176.1312 260 K 3.7780 8.5071 121.5865 59.8133 32.2820 178.1273 261 E 3.9124 8.1964 119.1315 59.2625 29.4707 178.5524 262 L 3.9655 8.0853 120.3289 58.1923 42.0787 178.9542 263 I 3.7124 8.1332 120.1882 64.4066 37.1460 178.1674 264 E 3.9506 8.2862 119.3767 59.4405 29.2646 179.6159 265 I 3.7054 7.6625 119.3047 64.4922 37.2140 178.4305 266 I 3.7024 8.0600 121.0180 64.6689 36.9017 178.7203 267 S 4.2290 8.4379 116.2060 61.4481 62.4043 177.0129 268 G 3.5796 7.8136 106.9500 47.7442 0.0000 175.3788 269 A 4.1340 8.0886 123.1626 54.8197 18.2019 179.6181 270 A 3.9621 8.0838 118.1040 54.6952 18.5640 178.9913 271 A 4.1932 7.6207 117.0360 53.4167 18.7956 177.4564 272 L 4.1218 7.4767 122.2862 54.8933 41.7080 176.8481 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 A 8.25 4.31 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 2 T 7.45 4.18 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 1.21 0.00 0.00 3 L 8.61 4.07 0.00 1.73 1.86 0.80 0.31 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 4 K 8.02 4.00 0.00 1.89 1.82 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.61 7.81 5 D 7.86 4.37 0.00 2.96 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 6 I 7.86 3.79 2.13 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 1.59 0.78 1.08 0.00 0.00 7 T 8.23 3.88 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 1.18 0.00 0.00 8 R 7.87 3.88 0.00 2.07 1.92 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 9 R 8.05 3.95 0.00 1.92 1.97 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 10 L 8.42 3.98 0.00 1.71 1.63 0.74 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.04 3.95 0.00 2.07 1.89 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 12 S 7.93 4.18 0.00 4.10 4.09 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 13 I 7.82 3.89 1.86 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 1.52 0.92 0.93 0.00 0.00 14 K 8.00 4.03 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.59 7.81 15 N 7.79 4.33 0.00 3.05 2.85 0.00 0.00 6.94 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 16 I 7.72 3.64 1.86 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 1.40 0.84 0.91 0.00 0.00 17 Q 8.02 3.94 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 18 K 7.69 4.05 0.00 2.01 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.58 7.81 19 I 8.07 3.67 2.01 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 1.57 0.59 0.91 0.00 0.00 20 T 8.19 4.02 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 1.27 0.00 0.00 21 K 7.98 3.96 0.00 2.01 1.83 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 22 S 8.00 4.09 0.00 3.98 4.09 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 23 M 8.64 4.07 0.00 2.05 2.22 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 2.80 2.54 0.00 24 K 8.12 3.85 0.00 2.00 2.00 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.69 7.81 25 M 7.89 4.08 0.00 2.05 2.25 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 2.62 2.96 0.00 26 V 7.81 3.56 2.23 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 1.01 0.00 0.00 0.97 0.00 0.00 27 A 8.46 4.13 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 28 A 7.92 4.04 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 29 A 7.96 4.04 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 30 K 8.00 4.04 0.00 1.86 1.88 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.58 7.81 31 Y 7.90 4.04 0.00 3.17 3.20 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 32 A 7.80 3.60 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 33 R 7.51 3.77 0.00 1.91 1.93 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 34 A 7.39 4.03 1.21 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 35 E 7.52 3.64 0.00 1.22 1.47 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 1.55 1.94 0.00 36 R 7.30 3.96 0.00 1.70 1.91 0.00 3.15 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 37 E 7.66 4.14 0.00 2.18 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 2.29 2.22 0.00 38 L 7.46 4.08 0.00 1.84 1.67 0.97 0.24 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 39 K 8.28 3.95 0.00 1.86 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.62 7.81 40 P 0.00 4.27 0.00 2.20 2.12 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 41 A 7.78 4.14 1.48 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 0.00 0.00 42 R 7.85 4.59 0.00 2.18 2.09 0.00 3.26 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 43 V 7.72 3.66 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 0.93 0.00 0.00 0.95 0.00 0.00 44 Y 7.78 3.97 0.00 3.28 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 45 G 8.02 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 0.00 0.00 0.00 46 V 7.03 3.57 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 0.73 0.00 0.00 0.87 0.00 0.00 47 G 7.30 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 0.00 0.00 0.00 *72 S 8.59 4.34 0.00 4.08 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 73 S 8.32 4.56 0.00 4.16 4.09 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 74 D 8.53 4.30 0.00 2.71 2.74 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 75 R 7.38 4.14 0.00 1.88 1.85 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 76 G 8.46 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 77 L 8.69 3.75 0.00 1.79 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.36 4.82 0.00 2.98 3.03 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 79 G 8.14 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 0.00 0.00 0.00 80 A 7.98 4.58 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 81 I 7.07 3.50 1.56 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 0.62 0.00 0.00 82 H 7.80 4.38 0.00 3.18 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.04 4.17 0.00 4.07 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 84 S 8.40 4.15 0.00 4.17 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 85 V 7.57 3.77 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 0.80 0.00 0.00 1.03 0.00 0.00 86 A 7.58 4.06 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 87 K 7.82 4.05 0.00 1.96 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 Q 7.60 4.11 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 89 M 7.70 4.28 0.00 2.08 2.21 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 2.63 2.59 0.00 *106 I 7.72 3.93 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 1.35 0.66 0.91 0.00 0.00 107 G 8.53 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 0.00 0.00 0.00 0.00 108 V 8.33 4.17 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 0.75 0.00 0.00 0.91 0.00 0.00 109 G 8.79 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 0.00 110 D 9.06 4.44 0.00 3.01 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 0.00 111 K 7.81 4.18 0.00 1.85 1.67 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.02 1.28 7.81 112 I 7.42 3.94 1.97 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 1.70 1.06 0.92 0.00 0.00 113 R 7.87 4.08 0.00 1.96 2.06 0.00 3.02 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 114 S 8.03 4.31 0.00 4.01 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 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0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 165 F 9.34 4.45 0.00 3.11 3.11 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 0.00 166 R 8.35 4.17 0.00 1.76 1.74 0.00 3.13 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 167 S 7.06 4.17 0.00 3.89 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 0.00 168 V 8.45 3.70 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 0.48 0.00 0.00 0.93 0.00 0.00 169 I 7.52 4.19 1.81 0.00 0.00 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 1.26 0.49 0.86 0.00 0.00 170 S 7.49 4.70 0.00 3.74 3.48 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 0.00 171 Y 7.55 5.17 0.00 3.00 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 0.00 172 K 8.93 4.59 0.00 1.75 1.58 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.31 7.81 173 T 8.39 4.47 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 1.19 0.00 0.00 *206 E 8.83 4.40 0.00 2.13 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 0.00 2.33 2.34 0.00 207 Y 7.88 4.23 0.00 3.08 2.99 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 0.00 208 S 8.08 4.39 0.00 4.10 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 0.00 209 L 7.80 3.90 0.00 1.79 1.85 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.46 4.01 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 0.00 211 N 7.77 4.27 0.00 2.86 2.83 0.00 0.00 6.85 6.99 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 0.00 212 I 7.27 3.81 1.96 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 1.67 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3.99 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 1.16 0.00 0.00 222 T 7.30 3.86 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 0.63 0.00 0.00 223 S 8.06 4.21 0.00 3.89 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 0.00 224 E 8.25 3.76 0.00 2.06 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 2.26 2.25 0.00 225 Q 8.25 4.05 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 226 S 7.69 3.86 0.00 3.71 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 0.00 227 A 7.91 4.02 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 0.00 228 R 8.36 4.03 0.00 1.90 1.98 0.00 3.10 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 229 M 7.78 4.03 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 230 T 8.10 3.80 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 1.19 0.00 0.00 231 A 8.29 3.98 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 0.00 232 M 8.21 4.16 0.00 2.30 2.22 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 2.79 0.00 233 D 7.94 4.32 0.00 2.92 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 0.00 234 N 8.42 4.35 0.00 2.90 2.84 0.00 0.00 6.93 8.34 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 0.00 235 A 8.45 3.97 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 0.00 236 S 7.90 4.24 0.00 4.09 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 0.00 237 K 8.01 4.02 0.00 2.02 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 238 N 8.50 4.32 0.00 2.71 2.86 0.00 0.00 6.92 7.94 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 0.00 239 A 8.00 3.97 1.42 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 0.00 240 S 7.94 4.09 0.00 4.16 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 0.00 241 E 8.22 3.95 0.00 2.25 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 2.33 2.43 0.00 242 M 8.24 4.07 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 243 I 7.87 3.71 2.01 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 1.50 0.56 0.89 0.00 0.00 244 D 7.87 4.39 0.00 2.83 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 0.00 245 K 8.21 3.96 0.00 1.97 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 246 L 8.12 4.14 0.00 1.85 1.73 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 247 T 8.40 3.92 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 248 L 8.00 4.06 0.00 1.88 1.74 0.93 0.76 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 0.00 249 T 7.92 3.92 4.43 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 1.23 0.00 0.00 250 F 8.48 4.06 0.00 3.22 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 0.00 251 N 8.57 4.43 0.00 2.86 2.89 0.00 0.00 7.09 7.25 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 0.00 252 R 8.08 3.90 0.00 2.02 1.95 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 253 T 8.02 3.78 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 1.12 0.00 0.00 254 R 8.05 3.59 0.00 1.09 1.82 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 255 Q 7.99 3.94 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 256 A 7.94 3.96 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 0.00 257 V 8.03 3.50 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 0.98 0.00 0.00 0.87 0.00 0.00 258 I 7.50 3.67 1.96 0.00 0.00 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 1.50 0.48 0.89 0.00 0.00 259 T 7.90 3.81 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 0.00 260 K 8.51 3.78 0.00 1.76 1.90 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 261 E 8.20 3.91 0.00 2.12 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 0.00 2.30 2.31 0.00 262 L 8.09 3.97 0.00 1.99 1.77 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 263 I 8.13 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 1.51 0.65 0.90 0.00 0.00 264 E 8.29 3.95 0.00 2.20 2.00 0.00 0.00 0.00 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 0.00 265 I 7.66 3.71 2.01 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 1.52 0.62 0.91 0.00 0.00 266 I 8.06 3.70 1.93 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 1.67 0.85 0.91 0.00 0.00 267 S 8.44 4.23 0.00 3.85 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 0.00 268 G 7.81 3.58 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 0.00 0.00 0.00 269 A 8.09 4.13 1.33 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 0.00 0.00 270 A 8.08 3.96 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 0.00 271 A 7.62 4.19 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 0.00 272 L 7.48 4.12 0.00 1.75 1.59 0.92 0.78 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 * Residues marked with a * may have inaccurate shift predictions.