NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 R 4.6208 8.2016 116.6771 55.8910 30.8185 174.7003 41 C 4.3458 8.4232 119.2964 56.4727 32.0813 172.9247 42 W 4.4746 8.9087 122.9895 58.0739 29.1929 175.1375 43 N 4.3894 7.4508 115.5505 55.4219 39.9662 175.1549 44 C 4.1182 7.7206 113.6357 62.9714 28.6843 175.4272 45 G 4.3134 8.2387 105.8085 45.3497 0.0000 174.2682 46 G 3.8379 8.0742 115.2263 45.4508 0.0000 176.3665 *53 E 4.1453 9.2243 123.7299 56.0218 31.4021 175.4260 54 D 4.2248 7.7999 118.4470 54.0839 38.9375 176.5646 55 R 4.3602 6.9931 127.6414 55.1015 29.9162 176.8463 56 F 4.2463 7.4701 120.0525 59.7143 40.6224 177.4928 57 F 5.5325 7.8932 115.1631 55.3786 42.2335 174.8791 58 C 4.3991 9.4405 124.6196 58.6465 31.6831 172.7373 59 P 4.5885 0.0000 0.0000 65.0834 31.3062 177.2583 60 Q 4.2782 8.0021 117.4969 57.6077 29.2760 176.0666 61 C 4.6142 7.3914 108.3520 57.0882 30.9334 175.1537 62 R 4.0153 8.8531 118.8712 56.6777 29.6177 175.9140 63 A 4.6796 7.3369 117.6790 52.3277 19.9168 176.5585 64 L 4.7338 8.8605 123.2756 55.0961 42.4799 176.9689 65 Q 4.5579 9.1410 125.6794 54.6123 30.6736 175.4458 66 A 3.1620 7.7833 123.8807 50.9780 18.9827 176.0716 67 P 4.1949 0.0000 0.0000 62.3174 32.2470 175.7952 68 D 4.4282 8.4876 120.9079 53.2199 41.3034 175.0884 69 P 4.4081 0.0000 0.0000 65.9219 31.5269 177.9156 70 T 3.9438 8.4500 108.9600 63.6639 69.0069 174.8726 71 R 3.8675 7.6058 121.8822 56.3362 30.2843 176.4751 72 D 4.7170 8.5677 125.4378 53.0627 41.7421 176.7855 73 Y 4.3366 8.1902 118.0747 61.1570 37.9486 178.6823 74 F 4.3409 8.4537 118.4040 60.5069 38.9353 177.3165 75 S 4.2235 9.0177 111.8538 61.3428 62.2575 176.9376 76 L 4.0894 7.8191 118.3190 55.6795 42.3910 176.5218 *78 D 4.5573 8.0084 114.1797 53.2531 42.1902 174.2446 79 C 4.9411 8.6396 111.7554 56.1733 33.2151 173.6506 80 N 4.3655 8.6267 118.1897 53.2259 38.5465 175.8749 81 R 2.5340 8.1169 121.1110 56.4305 28.6328 175.6127 82 S 4.3777 6.5800 113.4725 57.0593 65.0823 175.3395 83 F 4.0784 8.6276 128.2749 60.1294 39.4570 175.1653 84 R 4.1667 7.5439 120.9899 55.3872 29.5892 175.5529 85 V 4.2791 7.8828 124.6804 60.2323 34.3390 174.9565 86 D 4.5255 8.6456 126.3674 54.1169 41.4288 176.6611 87 T 3.9401 8.4245 118.9394 64.0311 69.0300 176.4346 88 A 4.0057 8.0540 123.8558 55.1213 18.5211 179.4254 89 K 3.9454 8.9709 117.4139 59.4522 32.0629 179.1248 90 L 4.0107 8.2592 120.8475 58.3490 42.0518 178.6371 91 Q 4.0307 8.2723 119.2817 59.5749 28.8919 177.8743 92 H 4.1619 8.2356 118.9254 59.3132 29.9750 176.7731 93 R 3.7791 8.3665 120.8225 59.8366 29.7690 177.2253 94 Y 4.1141 8.2091 119.2998 61.1406 38.5591 178.1659 95 Q 3.7073 8.0649 118.2934 59.1718 28.6717 178.9078 96 Q 3.8682 7.7452 117.3940 59.4285 29.1034 179.4034 97 L 3.8245 7.8127 119.3432 57.7347 41.7385 179.4592 98 Q 3.8929 8.0117 119.7740 58.9383 28.6291 178.2502 99 R 3.8311 7.8477 119.2699 58.8761 30.0790 177.9449 100 L 4.2758 7.4843 118.1025 56.2873 42.0245 177.8805 101 V 4.5625 7.5566 108.4530 61.0079 34.0698 176.0222 102 H 4.2709 8.4930 120.5131 55.8839 31.0442 173.9897 103 P 5.0097 0.0000 0.0000 64.8651 31.2697 178.1377 104 D 4.2635 7.9404 117.6133 57.4886 40.4671 178.1640 105 F 4.6158 7.2630 114.6282 58.3005 39.2865 175.9761 106 F 4.9616 7.9130 117.0334 56.9446 39.9163 177.1189 107 S 4.2719 7.8577 116.0936 60.6570 62.7550 175.1235 108 Q 4.5911 8.0819 118.4331 55.5152 28.9014 174.7871 109 R 4.7674 7.6557 117.4397 53.6889 33.1912 176.3877 110 S 4.3444 8.4914 113.6610 58.9345 64.6390 175.1194 111 Q 3.9243 8.5762 123.2945 59.4112 28.8332 178.6341 112 T 3.2432 7.6523 116.4433 66.6148 68.4443 176.1784 113 E 4.0481 7.8141 120.3158 59.0895 29.4184 179.6408 114 K 3.9061 8.0404 118.5851 59.5676 32.1740 178.5895 115 D 4.1892 7.7481 119.0320 57.9138 40.6157 179.5492 116 F 4.4117 7.3182 117.1465 60.5147 38.5492 177.7380 117 S 3.8872 8.0582 112.9558 61.3690 62.2138 175.9536 118 E 3.9465 8.6160 122.4364 59.0655 29.5002 178.9705 119 K 4.0410 8.1448 118.6627 59.5804 32.1629 179.0897 120 H 4.1515 9.1922 117.7083 58.9661 28.6865 177.6366 121 S 4.1325 7.7927 114.4550 61.7818 62.0797 176.2712 122 T 3.8850 7.8053 117.7945 66.8193 68.2082 176.5754 123 L 4.0324 7.8707 120.4296 57.6341 41.6317 179.7656 124 V 3.6363 8.3583 118.5934 66.2454 31.6732 177.7654 125 N 4.5046 8.7133 116.5858 56.4482 38.3446 177.1724 126 D 4.1079 8.3852 120.1816 57.2341 40.8756 178.2337 127 A 2.5800 7.4169 121.0722 55.1387 18.1952 178.4880 128 Y 3.9890 7.8308 117.1148 61.0978 38.1935 178.5767 129 K 3.4689 7.7669 118.2855 59.8140 32.0502 179.4314 130 T 3.7292 7.2723 114.1129 66.7122 68.4509 176.5430 131 L 3.9480 7.5550 119.4519 57.3756 41.6241 178.5994 132 L 3.8136 7.5870 120.3392 56.6474 42.3653 176.6143 133 A 3.9901 7.4097 120.8032 51.5544 19.0796 176.1192 134 P 4.1230 0.0000 0.0000 66.4074 31.4675 177.8096 135 L 4.0913 8.2020 118.3806 58.4054 42.0305 178.7513 136 S 4.2636 8.1369 113.9665 61.3027 62.6549 176.6768 137 R 4.0266 8.0040 122.5209 59.5462 29.7467 178.5337 138 G 3.9618 8.5925 104.2420 47.9135 0.0000 175.3448 139 L 4.2487 8.0667 120.7093 57.8554 41.3730 178.7800 140 Y 4.1559 8.1149 119.3384 60.7440 38.5036 177.8766 141 L 3.8784 8.3780 120.5398 58.0261 42.1257 178.9343 142 L 4.0698 7.4745 118.1539 57.3847 42.2169 179.8006 143 K 3.7500 7.1306 119.0802 56.0030 32.1959 177.1576 *156 E 3.9682 8.0326 116.8048 56.1767 30.8309 176.2413 *158 D 4.4794 8.2256 122.4675 53.2995 41.9265 176.1516 159 R 3.9983 8.3798 118.2323 59.5033 30.0338 178.9416 160 Q 4.0318 8.1613 116.9010 59.2866 28.8318 179.2517 161 F 4.1308 8.4157 120.7073 61.4034 39.3846 176.6297 162 L 3.7927 7.5211 117.3066 58.1174 41.5414 179.3829 163 I 3.7997 7.4488 118.0864 64.5144 37.3041 177.9778 164 E 4.0885 7.8167 118.7792 59.3648 29.2547 179.4584 165 I 3.3719 7.0398 116.2893 62.5563 37.0842 177.1515 *167 E 4.1435 8.0026 121.9716 56.4085 31.2127 177.4612 168 I 3.6171 7.6975 119.4153 64.5929 37.1017 177.8329 169 N 4.1340 8.2020 116.8892 56.6559 38.4918 177.0385 170 E 3.8955 8.0452 119.7366 59.1819 29.7620 178.4811 171 K 3.8329 8.1534 118.7506 59.4569 31.9474 178.6116 172 L 3.9733 8.1573 119.5410 58.4676 42.0281 178.6938 173 A 4.1254 8.1819 119.2682 55.3878 18.4123 179.1725 174 E 4.2515 8.4800 115.7620 57.5749 29.6662 177.0999 175 A 4.0747 8.2911 123.2505 52.6689 18.2118 176.8404 176 E 4.7122 8.6877 119.4010 56.1909 30.9283 175.4503 177 S 4.8528 7.6657 113.7192 56.0181 65.6551 174.7810 178 E 4.0661 8.7105 122.0210 58.7410 30.0693 177.9359 179 A 4.1856 7.6597 120.6284 54.7401 18.5752 180.3307 180 A 4.1394 7.8316 118.6344 52.2744 17.9999 179.6631 *182 K 4.5160 8.1631 120.2580 58.1843 34.4498 178.0911 183 E 3.9188 8.3222 118.9859 59.3745 29.4553 178.9849 184 I 3.6642 7.4276 118.6572 64.4594 37.3393 177.8592 185 E 3.9547 8.2937 118.9105 59.8564 29.3022 179.5318 186 S 4.2399 8.1932 114.5710 61.8116 63.0444 176.8127 187 I 3.6812 8.1381 122.5875 64.5795 36.9245 178.7094 188 V 3.9237 8.3352 119.2558 66.1549 31.4153 178.2371 189 K 4.0906 8.4909 118.1441 58.9760 31.7404 179.1569 190 A 3.9600 8.5894 121.6723 55.2168 18.1991 179.9007 191 K 3.4613 7.8654 116.6860 59.3437 31.9294 179.6142 192 Q 3.9919 7.8850 118.3470 58.8236 28.5825 178.8862 193 K 3.9167 8.0755 120.5551 59.4712 32.3552 178.3458 194 E 3.8509 7.7332 119.5735 59.3383 29.4591 178.9458 195 F 4.5962 8.1703 118.0346 60.8544 38.9354 177.7196 196 T 4.0678 8.3763 115.6898 66.9764 67.9354 175.9779 197 D 4.4949 8.3349 120.7577 57.8263 40.9182 179.1628 198 N 4.4280 8.1451 116.5036 56.3434 38.4163 177.9722 199 V 3.6751 8.5362 120.3135 64.1984 31.4556 178.6852 200 S 4.4830 8.5347 116.8950 61.9397 62.7894 176.5921 201 S 4.1972 7.9429 117.1758 61.5348 62.4561 176.6275 202 A 3.9097 8.0942 123.5127 54.9444 17.9604 179.8421 203 F 4.1624 7.8977 116.1339 60.8789 38.8922 177.6778 204 E 4.1236 8.1801 116.8688 59.1396 29.2982 178.5780 205 Q 4.3724 7.8791 114.8844 54.7667 29.0712 175.5596 206 D 3.9002 7.9463 118.2516 55.0315 39.4934 175.3739 207 D 4.2825 7.6095 121.0982 53.7306 38.4517 176.3620 208 F 4.5430 7.2370 122.8922 59.6493 39.3039 176.6863 209 E 3.6961 8.0741 118.2330 59.0288 29.2959 178.7366 210 E 3.8299 8.1415 118.8685 59.0554 29.8831 178.4025 211 A 3.7051 8.1877 121.1803 54.9170 18.3638 179.4559 212 K 3.7904 8.6165 118.9296 59.4614 32.2604 178.5256 213 E 3.7972 7.7630 119.5921 59.5057 29.3772 178.9503 214 I 3.4078 7.3492 118.2072 64.2550 37.1740 178.2371 215 L 4.1224 7.6983 118.9491 57.8566 41.4733 179.3061 216 T 4.1338 7.7583 115.2292 66.0488 68.6229 177.4369 217 K 3.9897 7.6642 117.6598 56.9773 31.6579 178.7313 *219 R 4.2519 7.9474 121.7696 56.7589 31.8583 176.8526 220 Y 4.2336 8.1587 115.3701 61.4343 37.8886 178.5692 221 F 4.1020 9.0592 117.9648 60.8431 38.9333 177.8399 222 S 4.2171 7.9698 114.1395 61.7584 62.6230 176.2727 223 N 4.3052 8.1350 118.8843 56.5715 38.2804 177.1962 224 I 3.6782 7.8730 120.3765 64.7409 37.1277 177.9345 225 E 4.0022 8.8013 119.3753 59.6614 29.2703 179.2126 226 E 3.9670 8.4644 119.3563 59.0390 29.6680 178.9870 227 K 4.0930 8.3914 119.1877 59.1368 32.0159 179.4278 228 I 3.6652 8.1365 120.5882 64.4824 36.9132 178.5053 229 K 3.9359 8.0522 118.0687 59.5475 32.0066 179.1541 230 L 4.1348 8.3767 119.6716 57.7084 41.3622 179.4605 231 K 3.9841 7.8727 118.4045 59.1824 32.2188 178.3655 232 K 4.2201 7.9440 116.7407 57.4574 32.0891 178.7070 233 I 3.8500 7.2192 120.9127 63.9417 37.2378 174.0410 234 P 4.4237 0.0000 0.0000 62.8080 31.1970 176.2907 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 40 R 8.20 4.62 0.00 1.94 2.01 0.00 2.63 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 41 C 8.42 4.35 0.00 3.06 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 42 W 8.91 4.47 0.00 3.66 3.26 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 43 N 7.45 4.39 0.00 1.44 2.29 0.00 0.00 7.04 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 44 C 7.72 4.12 0.00 3.02 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 45 G 8.24 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 0.00 0.00 0.00 0.00 46 G 8.07 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 *53 E 9.22 4.15 0.00 1.93 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 0.00 2.17 2.33 0.00 54 D 7.80 4.22 0.00 2.72 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 55 R 6.99 4.36 0.00 1.60 1.78 0.00 3.09 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 56 F 7.47 4.25 0.00 2.63 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 0.00 0.00 0.00 0.00 57 F 7.89 5.53 0.00 3.00 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 58 C 9.44 4.40 0.00 3.06 2.89 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 59 P 0.00 4.59 0.00 2.22 2.19 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 60 Q 8.00 4.28 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.11 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 61 C 7.39 4.61 0.00 2.95 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 62 R 8.85 4.02 0.00 1.90 2.11 0.00 3.19 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 63 A 7.34 4.68 1.09 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 0.00 0.00 64 L 8.86 4.73 0.00 1.97 1.82 0.63 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 9.14 4.56 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 66 A 7.78 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.19 0.00 2.10 1.66 0.00 3.70 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 68 D 8.49 4.43 0.00 2.71 2.55 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 69 P 0.00 4.41 0.00 2.21 2.17 0.00 3.79 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 1.98 1.95 0.00 70 T 8.45 3.94 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 1.20 0.00 0.00 71 R 7.61 3.87 0.00 2.06 2.02 0.00 3.22 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 72 D 8.57 4.72 0.00 3.19 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 73 Y 8.19 4.34 0.00 2.46 2.57 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 74 F 8.45 4.34 0.00 3.34 3.44 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 75 S 9.02 4.22 0.00 3.90 4.18 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 76 L 7.82 4.09 0.00 1.92 1.95 1.11 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *78 D 8.01 4.56 0.00 2.76 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 79 C 8.64 4.94 0.00 3.12 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 80 N 8.63 4.37 0.00 2.72 2.75 0.00 0.00 6.97 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 81 R 8.12 2.53 0.00 1.55 1.51 0.00 3.17 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 82 S 6.58 4.38 0.00 3.68 3.71 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 83 F 8.63 4.08 0.00 2.17 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 84 R 7.54 4.17 0.00 1.89 1.89 0.00 3.29 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 85 V 7.88 4.28 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 0.85 0.00 0.00 1.05 0.00 0.00 86 D 8.65 4.53 0.00 2.77 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 87 T 8.42 3.94 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 1.21 0.00 0.00 88 A 8.05 4.01 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 89 K 8.97 3.95 0.00 2.07 1.94 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.62 7.81 90 L 8.26 4.01 0.00 1.96 1.93 0.95 0.67 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 91 Q 8.27 4.03 0.00 2.48 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 92 H 8.24 4.16 0.00 3.32 3.53 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.37 3.78 0.00 1.97 2.25 0.00 3.25 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 1.71 1.76 0.00 94 Y 8.21 4.11 0.00 2.69 2.84 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 95 Q 8.06 3.71 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 96 Q 7.75 3.87 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 97 L 7.81 3.82 0.00 1.64 1.50 1.05 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.01 3.89 0.00 1.61 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 99 R 7.85 3.83 0.00 1.88 1.97 0.00 3.19 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 100 L 7.48 4.28 0.00 1.57 1.68 0.65 1.02 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 0.00 101 V 7.56 4.56 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 0.38 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8.49 4.34 0.00 4.13 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 0.00 111 Q 8.58 3.92 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 112 T 7.65 3.24 3.52 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 -0.36 0.00 0.00 113 E 7.81 4.05 0.00 2.26 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 0.00 2.72 2.78 0.00 114 K 8.04 3.91 0.00 1.90 1.80 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.51 1.65 7.81 115 D 7.75 4.19 0.00 2.37 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 0.00 0.00 0.00 116 F 7.32 4.41 0.00 2.99 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 0.00 117 S 8.06 3.89 0.00 3.11 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 0.00 118 E 8.62 3.95 0.00 2.04 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 0.00 2.26 2.37 0.00 119 K 8.14 4.04 0.00 2.07 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.61 7.81 120 H 9.19 4.15 0.00 3.16 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.79 4.13 0.00 3.99 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 0.00 122 T 7.81 3.88 4.42 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 1.23 0.00 0.00 123 L 7.87 4.03 0.00 1.98 1.81 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.36 3.64 2.30 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 1.09 0.00 0.00 nan 0.00 0.00 125 N 8.71 4.50 0.00 2.95 2.91 0.00 0.00 7.11 7.95 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 0.00 126 D 8.39 4.11 0.00 2.77 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.43 1.56 7.81 183 E 8.32 3.92 0.00 2.05 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 0.00 2.31 2.36 0.00 184 I 7.43 3.66 1.88 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 0.48 0.92 0.00 0.00 185 E 8.29 3.95 0.00 2.22 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 2.43 2.46 0.00 186 S 8.19 4.24 0.00 4.07 3.93 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 0.00 187 I 8.14 3.68 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 1.42 1.22 0.96 0.00 0.00 188 V 8.34 3.92 2.27 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 1.30 0.00 0.00 1.03 0.00 0.00 189 K 8.49 4.09 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.68 7.81 190 A 8.59 3.96 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 0.00 191 K 7.87 3.46 0.00 1.47 0.85 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.79 7.81 192 Q 7.88 3.99 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 193 K 8.08 3.92 0.00 1.81 1.76 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 194 E 7.73 3.85 0.00 1.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 195 F 8.17 4.60 0.00 3.23 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 0.00 196 T 8.38 4.07 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 197 D 8.33 4.49 0.00 3.00 2.79 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 0.00 198 N 8.15 4.43 0.00 3.04 2.91 0.00 0.00 6.83 7.34 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 0.00 199 V 8.54 3.68 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 0.98 0.00 0.00 0.75 0.00 0.00 200 S 8.53 4.48 0.00 4.30 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 0.00 201 S 7.94 4.20 0.00 4.03 3.93 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 0.00 202 A 8.09 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 F 7.90 4.16 0.00 3.27 3.13 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 0.00 204 E 8.18 4.12 0.00 2.18 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 2.43 2.64 0.00 205 Q 7.88 4.37 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.46 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 206 D 7.95 3.90 0.00 2.54 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 0.00 0.00 0.00 0.00 207 D 7.61 4.28 0.00 2.49 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 0.00 208 F 7.24 4.54 0.00 3.05 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 E 8.07 3.70 0.00 1.92 1.95 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 2.39 2.28 0.00 210 E 8.14 3.83 0.00 2.10 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 2.29 2.33 0.00 211 A 8.19 3.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 K 8.62 3.79 0.00 1.88 1.76 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 213 E 7.76 3.80 0.00 1.93 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 2.14 2.19 0.00 214 I 7.35 3.41 1.73 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 1.41 0.74 0.82 0.00 0.00 215 L 7.70 4.12 0.00 1.77 1.73 0.99 0.78 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 0.00 216 T 7.76 4.13 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 1.22 0.00 0.00 217 K 7.66 3.99 0.00 1.37 1.19 0.00 1.16 0.00 0.00 1.09 0.00 0.00 2.26 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 1.08 7.81 *219 R 7.95 4.25 0.00 2.04 1.98 0.00 3.02 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 220 Y 8.16 4.23 0.00 3.69 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 F 9.06 4.10 0.00 3.33 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 0.00 222 S 7.97 4.22 0.00 4.30 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 0.00 223 N 8.14 4.31 0.00 2.96 2.89 0.00 0.00 7.09 7.32 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 0.00 224 I 7.87 3.68 2.01 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.86 0.00 0.00 225 E 8.80 4.00 0.00 2.26 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 0.00 2.43 2.68 0.00 226 E 8.46 3.97 0.00 2.21 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 0.00 2.31 2.40 0.00 227 K 8.39 4.09 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.72 7.81 228 I 8.14 3.67 2.06 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 1.53 0.70 0.93 0.00 0.00 229 K 8.05 3.94 0.00 1.95 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 230 L 8.38 4.13 0.00 1.85 1.71 0.92 0.47 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 0.00 231 K 7.87 3.98 0.00 1.95 1.93 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 232 K 7.94 4.22 0.00 1.94 1.85 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.66 7.81 233 I 7.22 3.85 1.94 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 1.53 0.74 0.91 0.00 0.00 234 P 0.00 4.42 0.00 2.04 1.97 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.