NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.4193 8.1933 115.5540 56.5303 64.1261 176.0304 20 I 5.5859 7.3478 123.5315 57.7876 40.4210 172.8680 *22 K 4.3417 9.0215 122.2684 56.9601 34.3041 174.5378 23 I 4.8919 8.9337 128.0872 59.5335 40.7321 174.5294 24 L 5.1318 8.9718 126.3938 52.9408 44.7887 175.2704 25 L 5.1534 8.2763 122.5301 53.2385 43.3828 176.0857 26 I 4.3727 10.1016 124.6538 58.7306 41.2323 175.1010 27 G 3.9824 7.2363 112.3613 43.6940 0.0000 172.2191 28 D 4.8358 8.3954 119.9421 54.4346 41.4168 176.7953 29 S 4.2976 8.5598 116.6918 59.7613 62.9366 174.5998 30 G 4.0538 8.9719 114.3750 45.6461 0.0000 174.5331 31 V 3.8263 7.2030 111.5550 62.1425 32.0297 177.0522 32 G 4.3432 8.4355 109.4162 45.7148 0.0000 176.0416 33 K 3.9926 8.5477 120.5743 59.4952 32.0364 179.2460 34 S 4.5408 8.0445 116.1726 61.3679 62.7891 176.4079 35 C 4.1882 8.2492 118.9984 62.8278 27.9549 175.9587 36 L 4.1290 8.3433 120.8048 57.6830 41.1501 179.3905 37 L 4.0550 8.0461 120.1113 58.1717 42.0134 179.1858 38 V 3.4527 8.0390 118.4613 65.8823 31.5305 177.9031 39 R 4.2145 8.3650 120.2327 58.9103 29.7100 178.3139 40 F 4.3270 8.1161 119.3605 61.0844 39.4424 176.8120 41 V 3.5156 7.7070 116.4805 64.7641 31.7256 176.9545 42 E 4.3802 8.0750 114.6078 54.6092 30.5461 175.1467 43 D 4.8314 8.0068 116.6610 54.2314 39.8135 172.2252 44 K 4.7146 7.3690 115.0405 54.8143 36.4500 175.8510 45 F 4.5527 8.3107 120.8233 57.6198 41.7281 172.7889 46 N 4.7235 7.7701 125.6386 50.5556 40.4116 173.8201 47 P 4.0655 0.0000 0.0000 64.7791 31.5768 177.1998 48 S 4.7129 7.5835 113.0145 57.7242 63.7757 173.8893 49 F 4.3320 7.9957 122.3568 58.6107 39.5499 174.8546 50 I 3.9364 6.8044 125.8575 59.5442 39.8878 175.5329 51 T 3.8143 7.5723 121.9756 63.4395 68.0591 173.9202 52 T 4.2196 8.0513 119.6304 62.2910 69.5315 174.6381 53 I 4.0121 8.2149 127.5181 63.1700 36.7997 175.2665 54 G 4.1284 8.1981 121.9133 45.9003 0.0000 172.1354 55 I 3.8701 6.5587 123.6705 59.7560 37.2226 175.6599 56 D 4.8577 8.1425 125.2782 54.6029 41.9952 176.0465 57 F 5.2176 6.7833 112.1801 55.1114 41.2454 173.7198 58 K 4.8190 9.1879 118.2551 54.7363 36.4215 175.2332 59 I 5.1069 8.2208 121.4804 59.6790 40.5211 175.2920 60 K 4.4229 8.6368 126.1874 55.5306 35.9228 174.5013 61 T 4.9420 8.4719 124.2715 62.5110 69.7858 174.3895 62 V 4.5996 8.8334 119.0724 59.6005 36.3973 174.1510 63 D 5.3019 8.8198 121.5198 53.1244 42.3611 176.7151 64 I 4.4003 8.4038 125.1516 60.4416 38.5809 175.3307 65 N 4.3578 9.2119 124.3604 54.5682 35.0401 175.8645 66 G 3.9864 8.6362 103.7263 45.5230 0.0000 173.9469 67 K 4.7430 7.4077 117.5596 54.4151 36.0506 175.5999 68 K 4.6477 8.6698 121.9451 56.4432 32.8172 176.4427 69 V 4.4654 8.9279 125.6950 60.8344 34.6835 173.9772 70 K 4.5948 9.7573 130.8261 55.3915 33.8011 174.9886 71 L 4.7165 9.0018 128.7060 53.5971 43.6056 175.5210 72 Q 4.3629 8.7276 125.8037 54.7760 30.3219 173.8159 73 I 4.8861 8.7327 129.1389 59.8817 38.7572 175.1177 74 W 5.2571 9.4963 128.2251 55.5802 31.3987 175.5788 75 D 4.7987 9.5434 123.9383 53.8594 43.7800 174.5995 76 T 4.4077 8.7619 122.7220 62.3012 70.2409 174.7395 77 A 4.3194 8.2916 126.6650 51.3907 19.5555 178.4579 78 G 3.7906 8.6571 108.1631 49.5249 0.0000 175.5807 79 Q 4.2031 7.9768 116.6970 55.6889 28.7295 176.3843 80 E 4.7385 8.1501 116.4910 56.0096 30.4357 178.2873 81 R 4.0675 8.0606 118.8684 58.8714 29.9227 178.7369 82 F 4.1798 8.3526 120.9059 61.0538 39.7178 177.1023 83 R 3.8816 8.0666 119.9159 59.1522 29.8816 178.0535 84 T 4.2295 7.4344 105.8584 61.8330 68.5509 174.7980 85 I 4.4739 7.4694 112.9202 60.7883 38.2114 175.1642 86 T 4.5152 7.3348 110.9789 60.3959 70.4121 175.0895 87 T 4.3149 8.4414 119.1160 66.6195 69.0009 177.0056 88 A 4.0327 8.1332 124.1763 55.2217 18.6620 178.8279 89 Y 3.9560 7.6337 114.8554 60.4412 39.0536 176.2395 90 Y 4.0613 7.7589 115.1441 57.6319 38.5596 175.5310 91 R 3.9906 7.2926 120.5215 57.8625 30.3299 177.2976 92 G 3.7728 8.9023 110.6576 45.3254 0.0000 173.0741 93 A 4.4493 6.7942 121.9413 50.8574 19.4198 176.7382 *95 G 3.8394 8.2201 105.1845 46.4415 0.0000 172.3887 96 I 5.0887 8.7152 124.1465 59.7053 41.4817 174.1507 97 I 4.7152 9.0830 129.1382 59.8037 39.1223 174.7519 98 L 4.9924 9.0754 128.2721 53.3530 43.4593 175.8117 99 V 5.1041 8.8169 124.4539 61.2289 34.3735 173.7960 100 Y 5.1399 8.5831 123.8179 55.4886 42.5473 173.1136 101 D 5.2026 9.2511 120.2095 52.4800 42.5677 177.2260 102 I 4.0587 8.8763 120.4174 63.0745 37.7632 177.1762 103 T 4.3311 8.7189 110.6728 61.5423 69.4639 174.3858 104 D 4.7167 8.0948 122.4941 51.4592 42.0555 174.8459 105 E 4.0220 8.9545 127.1032 59.4714 29.4904 178.3120 106 R 3.9482 8.0309 118.6430 59.7422 29.9317 178.6526 107 T 4.8749 7.9603 109.5101 64.1208 69.0554 176.2323 108 F 4.1584 8.1640 123.2869 61.5157 39.6595 177.1156 109 T 3.6627 8.2075 115.5764 66.6834 68.2701 176.0108 110 N 4.4801 8.4347 117.3015 55.0833 38.4913 177.1530 111 I 4.0099 7.6444 122.2903 64.5465 37.1747 178.1919 112 K 4.0380 7.5532 118.3752 59.5455 31.7272 179.4626 113 Q 3.9273 7.9184 117.8295 58.6569 28.6627 178.4133 114 W 4.3597 8.0772 120.0283 59.8080 29.0580 178.1971 115 F 4.2252 8.9355 121.0197 61.1950 38.7926 177.0739 116 K 3.8171 8.1823 119.0438 59.8714 32.0578 178.7796 117 T 3.8383 8.0876 116.1884 66.6840 68.3881 176.7520 118 V 3.0190 8.1124 120.3324 66.0112 31.3657 177.9284 119 N 4.1323 7.7827 114.9378 55.7541 38.3231 176.5923 120 E 4.1492 7.8272 118.5806 57.4346 30.0121 176.6485 121 H 4.5602 7.7841 113.3589 55.1489 30.2052 173.6602 122 A 4.7028 7.2147 121.9506 49.4647 21.1175 175.7447 123 N 4.5557 8.2264 116.5867 52.6813 37.9769 175.9531 124 D 4.4970 8.5073 119.2115 54.8316 39.8751 176.7478 125 E 4.1822 7.9348 116.9032 57.4966 30.4986 176.5669 126 A 4.1487 7.3311 121.2799 52.1178 19.2941 176.6129 127 Q 4.4262 8.6474 122.4058 55.0582 30.6735 174.7328 128 L 5.7298 8.4344 125.5883 52.9302 44.5891 175.4889 129 L 4.7397 8.1735 121.1223 53.9206 45.8917 173.6165 130 L 5.2517 9.1786 128.5066 53.6192 44.4491 175.0545 131 V 4.5955 9.2026 126.0958 61.0029 34.7898 174.2207 132 G 3.2765 8.5085 115.7572 44.5517 0.0000 172.5262 133 N 5.0803 8.6118 126.0523 51.9412 41.8409 174.2135 134 K 4.2801 8.6246 116.6176 57.7315 28.7034 178.1391 135 S 4.1988 8.0523 113.4139 59.9866 63.6056 174.2435 136 D 4.5218 7.3695 123.2865 52.9309 38.0408 177.3345 *138 E 4.3211 7.8414 118.6571 57.1176 31.9294 177.8116 139 T 4.4495 7.8608 107.6563 61.3802 68.9657 174.6626 140 R 4.1368 7.3022 120.8950 57.6171 30.3008 176.6172 141 V 4.3504 8.8548 115.2187 60.3246 33.7684 175.6024 142 V 4.2267 7.6479 119.9618 60.9021 32.8819 175.8532 143 T 4.2413 8.6799 118.3438 61.0850 70.9725 175.4718 144 A 4.6256 8.3564 124.7121 55.0215 18.3684 179.7936 145 D 4.3123 8.0334 117.0378 57.5357 40.9462 178.8440 146 Q 4.0277 8.0643 118.7530 58.7208 28.6184 178.9899 147 G 3.3404 7.5805 107.7650 47.2422 0.0000 175.4716 148 E 3.5133 7.8434 121.6803 58.8274 29.4183 179.4811 149 A 3.9370 8.0296 120.8387 54.8951 18.3400 179.5138 150 L 3.7435 7.9697 118.6407 58.0856 42.1762 178.7807 151 A 3.9417 7.9340 120.9107 55.1525 18.0658 179.4725 152 K 3.8146 7.7675 116.4987 59.7283 32.3823 178.1355 153 E 3.9821 7.9377 118.1272 59.2466 29.5830 178.2896 154 L 3.8887 7.8543 117.3997 54.7009 41.8892 177.1851 155 G 3.8606 8.1433 106.9439 46.2684 0.0000 173.0721 156 I 4.9283 7.4470 110.8038 57.5880 41.1173 173.1088 157 P 4.6211 0.0000 0.0000 63.0334 32.6302 174.6994 158 F 5.6083 8.6492 122.2647 56.7895 42.5648 174.0425 159 I 4.2273 7.8335 124.7034 59.6279 41.9251 173.6013 160 E 4.8098 8.2474 125.3013 54.7217 32.0064 175.1099 161 S 5.0889 8.9158 117.8122 56.9272 67.7800 173.0597 162 S 4.5888 8.8250 113.9588 56.7768 63.8234 174.2776 163 A 3.9443 8.6575 131.3443 54.8974 18.6694 179.6134 164 K 2.0000 7.6052 115.9727 58.8688 32.1262 177.2298 165 N 4.5241 7.8353 112.5274 52.1416 38.8913 174.3771 166 D 4.2225 7.0986 115.4084 55.3567 40.2206 173.3837 167 D 4.6585 8.1830 118.4558 53.4518 41.3679 175.3660 168 N 4.2124 8.8302 122.4681 54.4589 36.6615 176.6917 169 V 3.6532 7.8133 119.2356 66.3610 31.7030 177.5406 170 N 4.7590 8.3256 115.7983 56.4604 38.3735 176.7652 171 E 4.0006 7.7948 118.1474 59.1373 29.7199 178.8280 172 I 3.4361 7.4295 119.5269 64.5297 37.0618 178.4253 173 F 3.9796 7.5484 117.7419 60.4001 38.7740 177.8339 174 F 4.0182 8.6726 117.6383 60.6112 38.7593 177.9171 175 T 3.9054 8.2550 115.6440 66.5949 68.3121 176.4679 176 L 3.9291 7.8054 121.7201 58.0821 42.1249 178.8061 177 A 4.0217 8.3274 121.1068 55.1140 18.2885 179.8150 178 K 3.9978 8.2117 117.0456 59.5965 31.9048 179.6514 179 L 4.1120 7.6268 117.9196 57.7664 41.4580 179.3489 180 I 3.8822 7.9063 119.9166 64.2042 37.0209 178.3167 181 Q 3.9365 8.2289 120.4445 59.2921 28.7895 177.6044 182 E 3.9391 8.4701 119.2159 58.8999 29.4503 177.9037 183 K 4.3020 7.6278 118.0375 57.5890 32.7080 177.9060 184 I 3.5012 7.5016 118.2965 63.6788 37.8368 175.1919 185 D 4.5149 7.4941 123.2229 54.4584 40.7639 175.9499 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 19 S 8.19 4.42 0.00 3.92 3.75 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 20 I 7.35 5.59 1.85 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 0.46 0.89 0.00 0.00 *22 K 9.02 4.34 0.00 1.84 1.85 0.00 1.43 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.49 7.81 23 I 8.93 4.89 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 1.03 0.00 0.00 24 L 8.97 5.13 0.00 1.56 1.50 0.49 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.28 5.15 0.00 1.56 1.62 1.18 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 I 10.10 4.37 1.77 0.00 0.00 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 1.18 0.89 0.29 0.00 0.00 27 G 7.24 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 28 D 8.40 4.84 0.00 3.01 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 29 S 8.56 4.30 0.00 3.93 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 30 G 8.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.20 3.83 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 0.86 0.00 0.00 1.10 0.00 0.00 32 G 8.44 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 33 K 8.55 3.99 0.00 1.87 2.02 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.54 7.81 34 S 8.04 4.54 0.00 4.08 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 0.00 35 C 8.25 4.19 0.00 3.29 3.29 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 36 L 8.34 4.13 0.00 2.02 1.90 0.90 0.60 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 37 L 8.05 4.06 0.00 1.94 1.93 0.94 0.87 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 38 V 8.04 3.45 1.91 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 0.70 0.00 0.00 0.41 0.00 0.00 39 R 8.37 4.21 0.00 2.03 2.23 0.00 3.59 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 40 F 8.12 4.33 0.00 3.01 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 41 V 7.71 3.52 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 0.76 0.00 0.00 0.84 0.00 0.00 42 E 8.08 4.38 0.00 1.94 1.85 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 2.17 2.18 0.00 43 D 8.01 4.83 0.00 2.67 2.62 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 44 K 7.37 4.71 0.00 1.67 1.57 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.52 7.81 45 F 8.31 4.55 0.00 2.92 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 46 N 7.77 4.72 0.00 2.79 2.67 0.00 0.00 7.11 8.03 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 47 P 0.00 4.07 0.00 2.02 2.17 0.00 3.52 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 2.07 2.23 0.00 48 S 7.58 4.71 0.00 3.79 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 49 F 8.00 4.33 0.00 2.81 2.93 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 50 I 6.80 3.94 1.62 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 1.44 0.91 0.73 0.00 0.00 51 T 7.57 3.81 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 1.25 0.00 0.00 52 T 8.05 4.22 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 1.17 0.00 0.00 53 I 8.21 4.01 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.96 0.00 0.00 54 G 8.20 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 55 I 6.56 3.87 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.48 0.49 0.00 0.00 56 D 8.14 4.86 0.00 2.60 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 57 F 6.78 5.22 0.00 2.29 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 58 K 9.19 4.82 0.00 1.65 1.65 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.34 7.81 59 I 8.22 5.11 1.89 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.47 0.89 0.00 0.00 60 K 8.64 4.42 0.00 1.57 1.42 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.08 1.18 7.81 61 T 8.47 4.94 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 1.20 0.00 0.00 62 V 8.83 4.60 1.93 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 0.68 0.00 0.00 0.67 0.00 0.00 63 D 8.82 5.30 0.00 2.67 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 64 I 8.40 4.40 1.90 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 1.30 0.96 0.95 0.00 0.00 65 N 9.21 4.36 0.00 2.91 3.00 0.00 0.00 7.18 7.65 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 66 G 8.64 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 67 K 7.41 4.74 0.00 1.92 1.89 0.00 1.32 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.39 7.81 68 K 8.67 4.65 0.00 1.67 1.80 0.00 1.71 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.38 7.81 69 V 8.93 4.47 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 1.06 0.00 0.00 0.93 0.00 0.00 70 K 9.76 4.59 0.00 1.71 1.75 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.39 7.81 71 L 9.00 4.72 0.00 1.69 1.62 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.73 4.36 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 73 I 8.73 4.89 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 1.07 0.00 0.00 74 W 9.50 5.26 0.00 3.18 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 75 D 9.54 4.80 0.00 2.84 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 76 T 8.76 4.41 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 1.22 0.00 0.00 77 A 8.29 4.32 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 78 G 8.66 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 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0.00 87 T 8.44 4.31 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 1.29 0.00 0.00 88 A 8.13 4.03 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 89 Y 7.63 3.96 0.00 2.87 2.87 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 0.00 0.00 0.00 90 Y 7.76 4.06 0.00 3.25 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 R 7.29 3.99 0.00 1.74 1.83 0.00 3.18 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 1.66 1.85 0.00 92 G 8.90 3.77 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 0.00 0.00 0.00 93 A 6.79 4.45 1.19 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 0.00 0.00 0.00 *95 G 8.22 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 96 I 8.72 5.09 1.93 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 0.69 1.04 0.00 0.00 97 I 9.08 4.72 1.82 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.57 0.77 0.00 0.00 98 L 9.08 4.99 0.00 1.73 1.73 1.05 0.85 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 99 V 8.82 5.10 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 1.00 0.00 0.00 0.89 0.00 0.00 100 Y 8.58 5.14 0.00 3.13 3.24 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 0.00 101 D 9.25 5.20 0.00 2.83 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 0.00 102 I 8.88 4.06 1.92 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 1.61 0.87 0.89 0.00 0.00 103 T 8.72 4.33 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 1.24 0.00 0.00 104 D 8.09 4.72 0.00 2.74 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 0.00 105 E 8.95 4.02 0.00 2.16 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 0.00 2.44 2.54 0.00 106 R 8.03 3.95 0.00 1.95 2.20 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 107 T 7.96 4.87 4.48 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 1.47 0.00 0.00 108 F 8.16 4.16 0.00 2.89 3.23 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 0.00 109 T 8.21 3.66 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 1.17 0.00 0.00 110 N 8.43 4.48 0.00 3.03 2.87 0.00 0.00 7.00 7.07 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 0.00 111 I 7.64 4.01 1.74 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.88 0.94 0.00 0.00 112 K 7.55 4.04 0.00 1.85 1.83 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.29 7.81 113 Q 7.92 3.93 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 114 W 8.08 4.36 0.00 3.70 3.29 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 0.00 115 F 8.94 4.23 0.00 3.21 3.29 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 0.00 116 K 8.18 3.82 0.00 2.02 1.96 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.45 7.81 117 T 8.09 3.84 4.52 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 1.30 0.00 0.00 118 V 8.11 3.02 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 1.17 0.00 0.00 119 N 7.78 4.13 0.00 2.43 2.60 0.00 0.00 7.09 7.83 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 0.00 120 E 7.83 4.15 0.00 1.86 1.78 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 2.19 2.32 0.00 121 H 7.78 4.56 0.00 2.80 3.25 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.21 4.70 1.03 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 0.00 123 N 8.23 4.56 0.00 2.86 2.93 0.00 0.00 5.69 8.07 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 0.00 124 D 8.51 4.50 0.00 2.77 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 0.00 125 E 7.93 4.18 0.00 2.09 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 0.00 2.22 2.28 0.00 126 A 7.33 4.15 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 0.00 127 Q 8.65 4.43 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 128 L 8.43 5.73 0.00 1.67 1.71 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.17 4.74 0.00 1.71 1.41 0.92 0.24 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 139 T 7.86 4.45 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 0.00 140 R 7.30 4.14 0.00 1.84 1.89 0.00 3.20 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 141 V 8.85 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 0.81 0.00 0.00 1.00 0.00 0.00 142 V 7.65 4.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.75 0.00 0.00 143 T 8.68 4.24 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 1.18 0.00 0.00 144 A 8.36 4.63 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 0.00 145 D 8.03 4.31 0.00 2.67 2.70 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 0.00 146 Q 8.06 4.03 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 147 G 7.58 3.34 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 0.00 148 E 7.84 3.51 0.00 2.04 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 2.53 2.51 0.00 149 A 8.03 3.94 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 0.00 150 L 7.97 3.74 0.00 1.73 1.76 0.66 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.93 3.94 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.77 3.81 0.00 1.86 1.97 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 153 E 7.94 3.98 0.00 2.00 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 2.20 2.28 0.00 154 L 7.85 3.89 0.00 1.46 0.89 0.56 0.14 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 0.00 155 G 8.14 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 0.00 0.00 0.00 156 I 7.45 4.93 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 1.05 0.00 0.00 157 P 0.00 4.62 0.00 2.16 2.25 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 158 F 8.65 5.61 0.00 2.99 2.98 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 0.00 159 I 7.83 4.23 1.60 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 1.07 0.29 0.70 0.00 0.00 160 E 8.25 4.81 0.00 1.75 1.72 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 2.27 2.22 0.00 161 S 8.92 5.09 0.00 3.80 3.77 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 0.00 162 S 8.83 4.59 0.00 3.79 3.63 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 0.00 0.00 0.00 0.00 163 A 8.66 3.94 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 0.00 164 K 7.61 2.00 0.00 0.91 1.43 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.12 0.91 7.81 165 N 7.84 4.52 0.00 2.65 2.74 0.00 0.00 7.10 7.63 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 0.00 166 D 7.10 4.22 0.00 2.77 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 0.00 167 D 8.18 4.66 0.00 2.63 2.44 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 0.00 168 N 8.83 4.21 0.00 2.97 2.85 0.00 0.00 6.75 7.68 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 0.00 169 V 7.81 3.65 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 1.33 0.00 0.00 0.96 0.00 0.00 170 N 8.33 4.76 0.00 2.89 3.20 0.00 0.00 6.70 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 0.00 171 E 7.79 4.00 0.00 1.99 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 2.26 2.35 0.00 172 I 7.43 3.44 1.35 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.08 0.00 0.00 173 F 7.55 3.98 0.00 2.34 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 0.00 174 F 8.67 4.02 0.00 3.16 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 0.00 175 T 8.26 3.91 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 0.00 176 L 7.81 3.93 0.00 1.79 1.72 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.33 4.02 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 0.00 178 K 8.21 4.00 0.00 2.01 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.81 7.81 179 L 7.63 4.11 0.00 1.80 1.74 0.94 0.96 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 0.00 180 I 7.91 3.88 2.02 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 1.41 1.00 0.91 0.00 0.00 181 Q 8.23 3.94 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 182 E 8.47 3.94 0.00 2.15 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 0.00 2.34 2.36 0.00 183 K 7.63 4.30 0.00 1.91 1.77 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.47 7.81 184 I 7.50 3.50 1.97 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 0.93 0.93 0.00 0.00 185 D 7.49 4.51 0.00 2.77 2.56 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 * Residues marked with a * may have inaccurate shift predictions.