NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 K 4.6254 8.1733 124.0586 54.9071 34.2967 174.3416 56 W 5.1825 9.1535 125.7624 52.4299 33.1709 172.6935 57 T 5.0922 9.0349 115.9450 60.2735 70.0557 173.9478 58 S 4.7752 9.1161 122.0601 57.9245 64.3481 172.7513 59 T 5.1115 9.1532 122.5836 61.8666 71.6609 172.9918 60 A 5.1259 9.1721 128.1559 50.2768 22.5821 175.0797 61 I 5.0976 8.3537 119.5282 59.4787 40.6771 174.9125 62 I 5.1123 9.1469 119.4832 59.7684 41.7775 173.6246 63 T 4.7919 8.6457 116.7898 60.5240 71.3791 172.4240 64 Q 4.5429 8.5630 121.6449 55.3758 29.1829 174.6822 65 P 4.4553 0.0000 0.0000 62.6085 31.8538 176.0099 66 D 4.4570 8.6893 121.8368 52.8085 40.5000 176.7594 67 A 3.9537 8.8435 122.1984 55.6741 17.8973 179.5056 68 A 3.9181 8.0487 116.9185 56.0048 18.4338 179.6336 69 Q 4.0879 8.1784 114.4905 58.3296 28.9390 179.0636 70 V 3.9546 7.9274 111.7618 64.5170 32.2482 179.8911 71 A 3.7213 8.0342 120.3802 54.5282 19.2061 178.7938 72 T 3.8184 8.0297 107.0076 65.7062 68.6538 175.4091 73 Y 3.9868 8.5348 122.9015 60.1881 39.0688 178.5667 74 T 4.0107 8.0052 116.1825 66.5231 68.6277 176.3959 75 N 4.2987 8.6192 118.6475 56.2269 38.5728 176.9295 76 A 3.9449 7.7700 121.9167 55.5723 18.2838 179.7308 77 L 4.1010 7.7323 116.7071 57.8683 41.6273 179.6191 78 N 4.3359 8.0159 116.0837 56.2937 38.3360 177.2284 79 V 3.5361 7.8802 118.5069 66.4778 31.6469 177.9310 80 L 3.9965 8.1426 117.0980 56.8458 41.6919 177.4533 81 Y 4.7698 7.9528 114.0556 56.4886 41.0011 177.1933 82 G 3.8664 8.7150 113.1919 47.0790 0.0000 175.1627 83 G 4.0755 9.2167 109.6076 45.1100 0.0000 173.4058 84 N 4.7565 8.1067 115.7186 52.6010 39.6979 175.3785 85 A 4.1714 7.7912 122.0760 51.0736 19.1418 175.6519 86 P 4.4697 0.0000 0.0000 61.9420 32.4916 177.0434 87 K 4.1132 8.3037 119.2577 56.4189 33.9063 178.6076 88 I 3.6638 8.1918 121.7938 64.6472 37.1256 178.5443 89 S 4.0823 8.1459 114.5879 62.0373 62.3473 176.4552 90 E 3.9668 7.7454 121.4899 58.7941 29.2166 179.5695 91 V 3.4425 7.7549 118.4882 65.8403 31.5606 178.2393 92 Q 3.6501 7.7689 117.0665 58.7493 28.7155 177.9572 93 A 3.9951 7.8201 121.8675 55.5658 18.3459 179.2417 94 N 4.3709 8.4656 115.4074 56.7490 38.9723 177.2195 95 F 4.3060 8.1496 119.1821 60.7014 39.0672 177.6396 96 I 4.0719 7.9940 119.5901 63.3472 37.6584 177.4550 97 S 4.1147 8.2414 114.2890 61.7248 62.2044 176.1694 98 R 3.9186 8.3410 120.4809 59.8200 29.8453 178.4339 99 F 4.0521 8.4600 120.6197 60.9534 39.3952 177.0260 100 S 4.2472 8.8113 113.7482 61.7272 62.4810 176.5076 101 S 4.0451 8.1059 115.3738 61.1908 62.4862 175.8128 102 A 4.0532 7.9205 123.4068 54.9877 18.0981 179.3150 103 F 3.6602 8.5967 119.8443 61.1613 39.3023 177.0971 104 S 4.3372 8.4755 112.7481 60.0921 63.0337 176.0290 105 A 4.0023 7.8700 125.2715 54.5054 18.4355 178.8806 106 L 3.6551 7.6185 118.4328 58.5146 41.7892 178.8950 107 S 3.8626 7.2973 111.1528 61.5770 62.3705 175.7729 108 E 4.0554 7.8258 120.9057 59.2563 29.1954 179.4672 109 V 3.5373 7.7587 118.2793 66.0373 31.5724 178.0963 110 L 4.0484 8.1739 118.4149 56.9221 41.1461 178.2196 111 D 4.4669 7.5503 116.6582 54.5225 42.8680 176.2651 112 N 4.7025 7.6220 120.4135 51.3089 37.3417 172.7353 113 Q 4.5170 7.4069 119.3437 55.0904 31.6560 175.5062 114 K 3.6947 8.3937 121.4439 58.2283 31.8321 178.0075 115 E 4.4485 7.7235 125.5858 53.9896 28.9034 178.4234 116 R 4.3853 8.2023 121.6699 55.3923 30.4495 176.2551 117 E 4.6923 8.9995 122.0081 55.2465 33.2288 176.7682 118 K 4.4009 8.4580 126.8764 53.8571 32.7864 173.7774 119 L 5.2866 8.2964 127.9472 53.3552 44.4098 175.7381 120 T 4.8054 8.8510 120.1221 62.0869 73.2004 172.5838 121 I 5.0234 8.6483 126.1061 59.1853 40.4757 174.0007 122 E 4.8802 8.7607 126.5173 54.3853 33.6967 174.6292 123 Q 4.3389 8.6188 119.8747 56.2357 28.8488 176.4558 124 S 4.2486 9.0511 121.4959 61.3044 63.6632 175.0351 125 V 4.0618 7.7521 123.2671 61.1598 32.0275 175.4904 126 K 4.2641 8.5447 129.8205 56.4707 31.6383 173.2936 127 G 4.1394 8.9787 112.5867 44.1503 0.0000 172.9449 128 Q 4.5437 7.9532 120.6260 53.6840 31.2918 174.7990 129 A 4.1985 8.9543 128.4998 54.7003 18.6075 177.5304 130 L 4.8130 7.4634 112.8121 52.2174 45.5546 174.5391 131 P 4.7580 0.0000 0.0000 62.3816 33.7937 174.2781 132 L 5.1433 8.5170 120.1416 52.8814 44.2327 175.8320 133 S 5.0260 9.1701 118.7759 56.6964 65.4036 173.5475 134 V 5.3542 8.7915 118.2402 59.3873 33.9229 175.1897 135 S 5.3727 8.5391 116.5281 57.5028 67.0837 171.8312 136 Y 5.9251 9.0157 120.3441 56.3763 42.5244 173.4090 137 V 4.6655 7.4875 124.9151 61.3247 33.7774 174.3548 138 S 4.6720 8.5643 120.6187 56.7473 66.2334 174.8346 139 T 4.0274 8.8475 112.3943 63.9090 68.8274 174.7700 140 T 4.2812 7.5303 111.0378 58.6152 71.1403 174.1667 141 A 3.7125 7.1435 129.2229 56.2691 18.1024 180.7323 142 E 4.0769 7.9142 115.7616 60.6281 29.8378 181.1492 143 G 3.8085 8.2397 105.1836 48.6566 0.0000 175.0897 144 A 4.3478 8.2620 123.2025 54.2297 18.2201 179.1695 145 Q 3.9362 7.9386 121.9225 59.3799 29.7945 180.3100 146 R 4.3165 7.8617 121.1372 60.4454 29.9033 182.0792 147 R 3.9484 8.0537 118.4214 59.0787 30.0405 178.2876 148 L 3.9678 8.3149 120.0722 58.3139 42.0489 178.5657 149 A 4.2297 8.3082 122.1440 56.1744 18.2720 179.9215 150 E 3.8997 7.8858 115.8080 61.5063 29.7256 180.6635 151 Y 4.4150 8.3159 118.5504 61.0425 37.9447 178.8341 152 I 4.0413 8.3917 121.0644 64.7229 37.1330 178.3172 153 Q 4.1379 8.3959 120.2580 59.0504 29.0496 177.6095 154 Q 3.9667 8.5433 121.0554 59.3173 28.9941 178.7392 155 V 3.4379 8.1843 119.2662 66.0517 31.6023 176.9320 156 D 4.6665 8.1793 117.6498 57.9199 41.0083 178.2290 157 E 3.9973 8.6270 118.9601 59.7376 29.1192 179.5889 158 E 4.0844 8.1180 116.8905 59.0913 29.7110 179.4154 159 V 3.5040 8.0135 119.1512 65.6737 31.6501 177.5380 160 A 3.8029 8.2463 120.9802 55.1623 18.1953 179.1256 161 K 3.7335 8.3237 118.2418 60.0530 32.3579 178.4193 162 E 3.9471 7.8149 118.0232 59.0973 28.9343 178.3858 163 L 4.2316 7.6635 119.8708 57.5737 42.2420 178.6626 164 E 4.1146 8.4396 119.0650 59.1531 29.3716 179.0436 165 V 3.5908 7.8617 118.3233 66.3276 31.4654 177.4171 166 D 4.4813 7.9511 117.9602 57.6900 40.7520 179.3964 167 L 4.0476 7.8802 120.5375 58.5235 40.5539 180.5063 168 K 4.2772 8.3864 123.3968 59.1089 31.5154 180.5784 169 D 4.5199 8.2740 117.1624 58.1317 41.3056 178.1572 170 N 4.6580 8.4601 117.0565 56.0852 38.2174 177.5221 171 I 3.6753 8.1902 121.2953 64.4542 37.7734 177.9154 172 T 4.2666 7.5820 118.8487 66.5439 68.4570 177.8265 173 L 3.9478 8.5462 126.0760 58.4806 42.0886 180.3540 174 Q 4.9711 8.0160 115.0862 55.0966 28.4841 180.4210 175 T 4.5491 7.4812 118.1782 64.3950 71.5384 176.9946 176 K 4.5937 7.4481 120.3147 54.9994 31.2593 182.4564 177 T 4.6542 7.5938 115.5216 64.2723 71.0522 175.2810 178 L 4.1980 8.0418 122.5466 57.8110 42.1504 178.8663 179 Q 4.3965 8.9600 121.2299 58.5608 27.9728 179.0195 180 E 4.8434 7.8275 116.9365 58.8824 30.7839 182.0741 181 S 5.0014 7.6878 116.3307 59.1601 64.7162 176.2075 182 L 3.9825 7.9405 124.9888 58.1475 41.6357 178.9432 183 E 4.3153 7.4642 109.4949 57.2544 30.2306 180.1562 184 T 4.2458 7.6803 114.4694 66.8463 69.0880 176.9153 185 Q 4.0392 7.9201 120.9193 59.7881 29.0320 178.7962 186 E 4.1801 8.1164 117.5883 56.2176 30.2957 180.0257 *251 S 4.3697 7.8958 112.4749 58.2042 63.7962 174.6172 252 P 4.4236 0.0000 0.0000 65.7034 32.6954 179.0427 253 A 4.1429 8.0138 123.6124 54.8738 18.0526 179.3543 *254 Y 4.0987 8.2182 121.3646 63.2811 36.2562 181.1720 *255 Y 4.1484 7.5552 118.2012 60.8610 37.0647 181.1191 256 Q 4.2968 8.2552 118.2878 59.9455 28.8707 178.3938 257 T 4.0393 7.5831 120.4678 66.5299 68.2435 177.3347 258 K 4.1084 7.8107 127.0281 60.3279 31.7849 182.9083 259 Q 4.3221 7.8837 121.3912 60.1965 27.7173 180.7869 260 T 4.0954 8.0533 114.5352 65.4062 68.5433 177.3498 261 L 4.0992 8.0011 127.6037 59.4033 40.8144 181.6801 262 L 4.3074 7.4838 120.3088 59.7169 40.7140 182.9943 263 D 4.6596 8.1195 121.6790 57.7163 40.6876 178.9674 264 I 4.0667 8.1324 120.4746 63.8646 35.3951 179.6778 265 K 4.7329 7.2672 125.7351 59.4946 33.8612 183.6837 266 N 4.7181 8.2121 121.0846 56.3383 37.8713 178.6595 267 L 4.7593 7.1927 121.2690 53.4197 42.5366 181.1812 268 K 4.6173 8.3682 123.9497 51.9531 34.1381 175.8711 269 V 4.0382 8.1877 125.4763 59.7365 30.1708 175.2235 270 T 3.9658 7.9571 122.6235 62.6490 68.0755 175.1834 271 A 5.1931 8.4848 131.9930 52.3237 17.8263 179.1663 272 D 4.6500 7.4009 111.0483 56.2605 43.3988 179.3822 273 T 4.1844 7.9903 111.1787 65.4337 69.2593 175.8301 274 V 4.0083 7.6188 115.4936 60.4077 32.2296 175.2417 275 H 4.9295 8.7439 121.2673 54.3579 31.5956 173.7163 276 V 4.4623 8.7843 116.3741 61.1437 31.6953 174.4418 277 Y 4.7181 7.1400 117.0316 56.5701 40.6385 173.4597 278 R 4.1741 8.4151 119.0063 54.8819 33.7272 174.0465 279 Y 4.7817 8.6093 123.3428 58.1718 38.8183 175.5378 280 V 4.4048 8.7733 119.7628 62.8324 32.8784 175.3735 *282 K 3.8040 7.9591 117.7564 56.0959 33.5649 173.7869 283 P 4.5634 0.0000 0.0000 64.1340 31.3904 175.5694 284 T 4.4694 8.2809 112.3739 60.5857 70.6861 174.7617 285 L 4.3000 8.3742 124.0593 53.1017 41.5032 175.0044 286 P 4.5631 0.0000 0.0000 62.4840 32.2643 176.8020 287 V 3.8669 8.7425 122.5510 65.4133 31.8508 176.1747 288 R 4.5730 7.9491 118.6165 55.1429 32.1113 176.3378 289 R 3.0258 7.3369 120.1614 55.1686 31.0087 176.7096 290 D 4.4398 8.2220 118.1376 55.1724 41.5678 176.8366 291 S 4.2488 8.5079 118.1187 57.5189 63.1789 172.1378 292 P 4.4211 0.0000 0.0000 62.8979 31.4163 175.3847 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 55 K 8.17 4.63 0.00 1.47 1.79 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 56 W 9.15 5.18 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 9.03 5.09 4.38 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 1.29 0.00 0.00 58 S 9.12 4.78 0.00 4.07 3.95 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 59 T 9.15 5.11 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 1.33 0.00 0.00 60 A 9.17 5.13 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 61 I 8.35 5.10 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.93 0.00 0.00 62 I 9.15 5.11 1.60 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.69 0.56 0.00 0.00 63 T 8.65 4.79 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 1.25 0.00 0.00 64 Q 8.56 4.54 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 65 P 0.00 4.46 0.00 2.08 2.17 0.00 3.93 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.28 0.00 66 D 8.69 4.46 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.84 3.95 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 68 A 8.05 3.92 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 69 Q 8.18 4.09 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 70 V 7.93 3.95 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 0.39 0.00 0.00 0.85 0.00 0.00 71 A 8.03 3.72 1.39 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 0.00 0.00 0.00 72 T 8.03 3.82 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 1.26 0.00 0.00 73 Y 8.53 3.99 0.00 3.26 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 74 T 8.01 4.01 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 1.21 0.00 0.00 75 N 8.62 4.30 0.00 2.85 2.86 0.00 0.00 6.86 7.29 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 76 A 7.77 3.94 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 77 L 7.73 4.10 0.00 1.97 1.80 1.07 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.02 4.34 0.00 2.97 2.87 0.00 0.00 6.59 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 79 V 7.88 3.54 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 80 L 8.14 4.00 0.00 1.48 1.06 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.95 4.77 0.00 3.11 2.90 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 82 G 8.71 3.87 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 0.00 0.00 0.00 83 G 9.22 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 0.00 0.00 0.00 84 N 8.11 4.76 0.00 2.98 2.88 0.00 0.00 6.84 6.69 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 85 A 7.79 4.17 1.39 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 0.00 0.00 0.00 86 P 0.00 4.47 0.00 2.18 2.04 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 87 K 8.30 4.11 0.00 1.78 1.77 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 I 8.19 3.66 1.84 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 1.69 0.66 0.86 0.00 0.00 89 S 8.15 4.08 0.00 4.01 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 90 E 7.75 3.97 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 91 V 7.75 3.44 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 0.43 0.00 0.00 0.94 0.00 0.00 92 Q 7.77 3.65 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 93 A 7.82 4.00 1.40 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 0.00 0.00 0.00 94 N 8.47 4.37 0.00 2.94 3.16 0.00 0.00 7.29 8.55 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 95 F 8.15 4.31 0.00 3.22 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 96 I 7.99 4.07 1.90 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 1.39 1.77 1.04 0.00 0.00 97 S 8.24 4.11 0.00 4.06 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 98 R 8.34 3.92 0.00 2.06 1.96 0.00 3.05 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 99 F 8.46 4.05 0.00 3.19 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 0.00 100 S 8.81 4.25 0.00 4.15 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 0.00 101 S 8.11 4.05 0.00 3.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.92 4.05 1.25 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 0.00 0.00 0.00 103 F 8.60 3.66 0.00 2.64 3.04 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 0.00 0.00 0.00 104 S 8.48 4.34 0.00 4.11 4.16 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 0.00 105 A 7.87 4.00 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 0.00 106 L 7.62 3.66 0.00 1.36 1.25 0.34 0.47 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 0.00 107 S 7.30 3.86 0.00 3.79 3.95 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 0.00 108 E 7.83 4.06 0.00 2.05 1.94 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 2.44 2.43 0.00 109 V 7.76 3.54 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 0.97 0.00 0.00 0.88 0.00 0.00 110 L 8.17 4.05 0.00 1.73 1.78 0.42 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.55 4.47 0.00 2.67 2.81 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 0.00 112 N 7.62 4.70 0.00 2.80 2.71 0.00 0.00 6.96 6.40 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 0.00 113 Q 7.41 4.52 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 114 K 8.39 3.69 0.00 1.79 1.71 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.03 7.81 115 E 7.72 4.45 0.00 1.98 1.81 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 2.19 1.86 0.00 116 R 8.20 4.39 0.00 1.90 2.09 0.00 2.93 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 117 E 9.00 4.69 0.00 2.01 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 2.39 2.31 0.00 118 K 8.46 4.40 0.00 1.43 1.72 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 0.98 7.81 119 L 8.30 5.29 0.00 1.52 1.40 -0.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.85 4.81 4.54 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 1.28 0.00 0.00 121 I 8.65 5.02 2.11 0.00 0.00 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 1.42 0.84 1.10 0.00 0.00 122 E 8.76 4.88 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 123 Q 8.62 4.34 0.00 1.97 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 124 S 9.05 4.25 0.00 3.75 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.75 4.06 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 0.98 0.00 0.00 0.93 0.00 0.00 126 K 8.54 4.26 0.00 1.81 1.61 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 127 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 0.00 128 Q 7.95 4.54 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 129 A 8.95 4.20 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 0.00 130 L 7.46 4.81 0.00 1.57 1.51 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.76 0.00 2.18 2.22 0.00 3.39 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 132 L 8.52 5.14 0.00 1.73 1.51 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 133 S 9.17 5.03 0.00 3.91 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 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0.00 0.00 0.00 0.00 0.00 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 0.00 176 K 7.45 4.59 0.00 1.81 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.28 7.81 177 T 7.59 4.65 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 1.19 0.00 0.00 178 L 8.04 4.20 0.00 1.72 1.68 0.92 0.82 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 0.00 179 Q 8.96 4.40 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 180 E 7.83 4.84 0.00 2.04 1.83 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 2.14 1.90 0.00 181 S 7.69 5.00 0.00 4.00 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 0.00 182 L 7.94 3.98 0.00 1.72 1.75 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 183 E 7.46 4.32 0.00 2.06 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 2.24 2.15 0.00 184 T 7.68 4.25 4.38 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 1.21 0.00 0.00 185 Q 7.92 4.04 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.68 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 186 E 8.12 4.18 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 *251 S 7.90 4.37 0.00 3.65 3.78 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 0.00 252 P 0.00 4.42 0.00 2.21 2.25 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 253 A 8.01 4.14 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 *254 Y 8.22 4.10 0.00 2.33 2.36 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 *255 Y 7.56 4.15 0.00 2.39 2.32 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 0.00 256 Q 8.26 4.30 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 257 T 7.58 4.04 4.32 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 1.19 0.00 0.00 258 K 7.81 4.11 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 259 Q 7.88 4.32 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 260 T 8.05 4.10 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 1.23 0.00 0.00 261 L 8.00 4.10 0.00 1.71 1.72 0.92 0.63 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 0.00 262 L 7.48 4.31 0.00 1.69 1.70 0.92 1.00 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 0.00 263 D 8.12 4.66 0.00 2.90 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 0.00 264 I 8.13 4.07 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 1.38 0.62 0.91 0.00 0.00 265 K 7.27 4.73 0.00 1.74 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.28 7.81 266 N 8.21 4.72 0.00 2.84 2.77 0.00 0.00 6.86 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 0.00 267 L 7.19 4.76 0.00 1.61 1.47 0.92 0.70 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 0.00 268 K 8.37 4.62 0.00 1.72 1.59 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.95 7.81 269 V 8.19 4.04 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 0.86 0.00 0.00 1.02 0.00 0.00 270 T 7.96 3.97 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 1.29 0.00 0.00 271 A 8.48 5.19 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 0.00 272 D 7.40 4.65 0.00 2.68 2.48 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 0.00 273 T 7.99 4.18 4.32 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 1.25 0.00 0.00 274 V 7.62 4.01 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 0.94 0.00 0.00 0.91 0.00 0.00 275 H 8.74 4.93 0.00 3.06 2.99 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 276 V 8.78 4.46 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 1.30 0.00 0.00 277 Y 7.14 4.72 0.00 2.27 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 0.00 0.00 0.00 0.00 278 R 8.42 4.17 0.00 1.71 1.72 0.00 3.06 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 279 Y 8.61 4.78 0.00 2.89 2.88 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 0.00 0.00 0.00 280 V 8.77 4.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 *282 K 7.96 3.80 0.00 1.53 1.18 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.26 7.81 283 P 0.00 4.56 0.00 2.15 2.24 0.00 3.44 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 284 T 8.28 4.47 4.29 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 1.31 0.00 0.00 285 L 8.37 4.30 0.00 1.66 1.68 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 286 P 0.00 4.56 0.00 2.76 2.40 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 287 V 8.74 3.87 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 0.89 0.00 0.00 0.99 0.00 0.00 288 R 7.95 4.57 0.00 1.76 1.76 0.00 3.26 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 289 R 7.34 3.03 0.00 1.59 1.72 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.00 290 D 8.22 4.44 0.00 2.36 2.52 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 0.00 291 S 8.51 4.25 0.00 3.82 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 0.00 292 P 0.00 4.42 0.00 2.17 1.95 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.