REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3pve_1_A DATA FIRST_RESID 1454 DATA SEQUENCE SRPFLADFNG FSYLELKGLH TFXXXXXXXM ALEMVFLARG PSGLLLYNGQ DATA SEQUENCE KTXGKGDFVS LALHNRHLEF RYDLGKGAAI IRSKEPIALG TWVRVFLERN DATA SEQUENCE GRKGALQVGD GPRVLGESPV PHTMLNLKEP LYVGGAPDFS KLARGAAVAS DATA SEQUENCE GFDGAIQLVS LRGHQLLTQE HVLRAVDVAP FAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1454 S HA 0.000 nan 4.470 nan 0.000 0.327 1454 S C 0.000 174.651 174.600 0.085 0.000 1.055 1454 S CA 0.000 58.248 58.200 0.081 0.000 1.107 1454 S CB 0.000 63.239 63.200 0.066 0.000 0.593 1455 R N 2.481 123.034 120.500 0.089 0.000 2.421 1455 R HA 0.371 4.712 4.340 0.003 0.000 0.305 1455 R C -2.693 173.707 176.300 0.167 0.000 1.039 1455 R CA -1.053 55.106 56.100 0.098 0.000 1.003 1455 R CB 0.084 30.432 30.300 0.081 0.000 0.959 1455 R HN 0.163 nan 8.270 nan 0.000 0.427 1456 P HA 0.091 nan 4.420 nan 0.000 0.272 1456 P C -1.228 176.221 177.300 0.248 0.000 1.230 1456 P CA -0.002 63.170 63.100 0.121 0.000 0.788 1456 P CB 0.385 32.089 31.700 0.006 0.000 0.949 1457 F N -0.842 119.120 119.950 0.021 0.000 2.581 1457 F HA 0.579 5.108 4.527 0.003 0.000 0.311 1457 F C -1.396 174.440 175.800 0.059 0.000 1.113 1457 F CA -1.643 56.380 58.000 0.037 0.000 0.935 1457 F CB 0.965 39.986 39.000 0.035 0.000 1.232 1457 F HN -0.039 nan 8.300 nan 0.000 0.445 1458 L N 3.923 125.228 121.223 0.137 0.000 2.302 1458 L HA 0.701 5.043 4.340 0.003 0.000 0.285 1458 L C -0.022 176.974 176.870 0.209 0.000 1.090 1458 L CA -0.423 54.487 54.840 0.117 0.000 0.866 1458 L CB 0.032 42.206 42.059 0.193 0.000 1.244 1458 L HN 0.861 nan 8.230 nan 0.000 0.435 1459 A N 3.908 126.814 122.820 0.143 0.000 2.328 1459 A HA 0.420 4.742 4.320 0.003 0.000 0.284 1459 A C -0.413 177.211 177.584 0.067 0.000 1.160 1459 A CA -0.535 51.578 52.037 0.127 0.000 0.818 1459 A CB 0.208 19.273 19.000 0.109 0.000 1.087 1459 A HN 0.659 nan 8.150 nan 0.000 0.504 1460 D N 2.186 122.537 120.400 -0.081 0.000 2.308 1460 D HA 0.558 5.200 4.640 0.003 0.000 0.242 1460 D C -1.398 174.744 176.300 -0.264 0.000 1.059 1460 D CA -0.023 53.983 54.000 0.010 0.000 0.830 1460 D CB 0.677 41.578 40.800 0.169 0.000 1.161 1460 D HN 0.279 nan 8.370 nan 0.000 0.494 1461 F N 2.413 122.402 119.950 0.065 0.000 2.480 1461 F HA 0.254 4.783 4.527 0.003 0.000 0.329 1461 F C 1.346 177.108 175.800 -0.064 0.000 1.091 1461 F CA -0.929 57.100 58.000 0.048 0.000 0.972 1461 F CB 1.416 40.498 39.000 0.137 0.000 1.150 1461 F HN 0.285 nan 8.300 nan 0.000 0.467 1462 N N 0.426 119.195 118.700 0.115 0.000 2.204 1462 N HA 0.286 5.028 4.740 0.003 0.000 0.219 1462 N C 0.939 176.393 175.510 -0.093 0.000 1.151 1462 N CA 0.319 53.359 53.050 -0.017 0.000 0.867 1462 N CB 0.992 39.461 38.487 -0.030 0.000 1.043 1462 N HN 0.852 nan 8.380 nan 0.000 0.516 1463 G N -0.029 108.774 108.800 0.005 0.000 2.308 1463 G HA2 -0.255 3.707 3.960 0.003 0.000 0.221 1463 G HA3 -0.255 3.707 3.960 0.003 0.000 0.221 1463 G C 0.048 175.051 174.900 0.172 0.000 1.032 1463 G CA 0.211 45.284 45.100 -0.045 0.000 0.623 1463 G HN 0.234 nan 8.290 nan 0.000 0.506 1464 F N 2.906 122.950 119.950 0.158 0.000 2.698 1464 F HA 0.553 5.081 4.527 0.003 0.000 0.304 1464 F C 1.043 176.991 175.800 0.247 0.000 1.108 1464 F CA -0.627 57.489 58.000 0.194 0.000 1.263 1464 F CB 0.521 39.598 39.000 0.128 0.000 1.013 1464 F HN 0.087 nan 8.300 nan 0.000 0.532 1465 S N 0.293 116.260 115.700 0.445 0.000 2.654 1465 S HA 0.737 5.209 4.470 0.003 0.000 0.283 1465 S C -0.985 173.969 174.600 0.590 0.000 1.180 1465 S CA -0.398 58.040 58.200 0.397 0.000 1.021 1465 S CB 1.715 65.118 63.200 0.338 0.000 1.018 1465 S HN 0.307 nan 8.310 nan 0.000 0.532 1466 Y N -1.341 119.199 120.300 0.401 0.000 2.604 1466 Y HA 0.672 5.223 4.550 0.003 0.000 0.331 1466 Y C -2.149 174.012 175.900 0.436 0.000 1.158 1466 Y CA -1.400 56.969 58.100 0.449 0.000 1.056 1466 Y CB 0.474 39.093 38.460 0.265 0.000 1.330 1466 Y HN 0.446 nan 8.280 nan 0.000 0.457 1467 L N 2.756 124.370 121.223 0.652 0.000 2.317 1467 L HA 0.564 4.906 4.340 0.003 0.000 0.281 1467 L C -0.460 176.740 176.870 0.550 0.000 1.024 1467 L CA -0.782 54.349 54.840 0.485 0.000 0.810 1467 L CB 2.013 44.362 42.059 0.484 0.000 1.240 1467 L HN 0.810 nan 8.230 nan 0.000 0.427 1468 E N 2.923 123.384 120.200 0.435 0.000 2.145 1468 E HA 0.543 4.895 4.350 0.003 0.000 0.270 1468 E C -1.536 175.174 176.600 0.184 0.000 0.906 1468 E CA -0.680 55.895 56.400 0.292 0.000 0.761 1468 E CB 1.385 31.298 29.700 0.355 0.000 1.116 1468 E HN 0.294 nan 8.360 nan 0.000 0.408 1469 L N 2.963 124.258 121.223 0.119 0.000 2.286 1469 L HA 0.439 4.781 4.340 0.003 0.000 0.265 1469 L C 0.043 176.993 176.870 0.134 0.000 1.012 1469 L CA -0.788 54.159 54.840 0.178 0.000 0.818 1469 L CB 1.203 43.392 42.059 0.216 0.000 1.337 1469 L HN 0.502 nan 8.230 nan 0.000 0.438 1470 K N 0.225 120.747 120.400 0.203 0.000 2.414 1470 K HA 0.316 4.638 4.320 0.003 0.000 0.272 1470 K C 0.335 176.963 176.600 0.045 0.000 0.993 1470 K CA 0.030 56.356 56.287 0.065 0.000 0.964 1470 K CB 0.090 32.559 32.500 -0.051 0.000 0.925 1470 K HN 0.806 nan 8.250 nan 0.000 0.487 1471 G N 1.365 110.104 108.800 -0.101 0.000 2.614 1471 G HA2 0.013 3.975 3.960 0.003 0.000 0.239 1471 G HA3 0.013 3.975 3.960 0.003 0.000 0.239 1471 G C 1.061 175.870 174.900 -0.152 0.000 1.240 1471 G CA -0.529 44.563 45.100 -0.014 0.000 0.842 1471 G HN 0.607 nan 8.290 nan 0.000 0.584 1472 L N 0.770 122.065 121.223 0.120 0.000 2.127 1472 L HA -0.186 4.156 4.340 0.003 0.000 0.211 1472 L C 2.861 179.759 176.870 0.047 0.000 1.089 1472 L CA 1.613 56.569 54.840 0.193 0.000 0.757 1472 L CB -0.518 41.643 42.059 0.171 0.000 0.899 1472 L HN 0.838 nan 8.230 nan 0.000 0.434 1473 H N -1.321 117.740 119.070 -0.016 0.000 2.460 1473 H HA -0.151 4.407 4.556 0.003 0.000 0.297 1473 H C 1.760 176.992 175.328 -0.160 0.000 1.103 1473 H CA 1.727 57.738 56.048 -0.062 0.000 1.292 1473 H CB -1.215 28.513 29.762 -0.057 0.000 1.376 1473 H HN 0.275 nan 8.280 nan 0.000 0.531 1474 T N 0.630 114.647 114.554 -0.896 0.000 2.915 1474 T HA 0.014 4.366 4.350 0.003 0.000 0.269 1474 T C 0.334 174.581 174.700 -0.754 0.000 1.071 1474 T CA 0.880 62.409 62.100 -0.951 0.000 1.132 1474 T CB -0.188 67.791 68.868 -1.482 0.000 0.878 1474 T HN 0.140 nan 8.240 nan 0.000 0.479 1484 A N 2.476 125.304 122.820 0.012 0.000 2.375 1484 A HA 0.958 5.279 4.320 0.003 0.000 0.295 1484 A C -1.267 176.318 177.584 0.003 0.000 1.066 1484 A CA -0.623 51.422 52.037 0.014 0.000 0.722 1484 A CB 1.234 20.251 19.000 0.029 0.000 1.206 1484 A HN 2.417 nan 8.150 nan 0.000 0.435 1485 L N 1.593 122.799 121.223 -0.029 0.000 2.386 1485 L HA 0.706 5.047 4.340 0.003 0.000 0.271 1485 L C -0.450 176.374 176.870 -0.077 0.000 0.993 1485 L CA -0.257 54.545 54.840 -0.062 0.000 0.819 1485 L CB 1.862 43.860 42.059 -0.102 0.000 1.294 1485 L HN 0.830 nan 8.230 nan 0.000 0.414 1486 E N 5.052 125.189 120.200 -0.105 0.000 2.222 1486 E HA 0.474 4.826 4.350 0.003 0.000 0.267 1486 E C -1.678 174.793 176.600 -0.215 0.000 0.884 1486 E CA -0.777 55.490 56.400 -0.222 0.000 0.764 1486 E CB 2.141 31.712 29.700 -0.215 0.000 1.169 1486 E HN 0.663 nan 8.360 nan 0.000 0.413 1487 M N 3.957 123.413 119.600 -0.240 0.000 2.457 1487 M HA 0.427 4.909 4.480 0.003 0.000 0.300 1487 M C -1.925 174.317 176.300 -0.096 0.000 1.141 1487 M CA -0.840 54.383 55.300 -0.129 0.000 0.901 1487 M CB 1.995 34.551 32.600 -0.074 0.000 1.687 1487 M HN 0.305 nan 8.290 nan 0.000 0.449 1488 V N 5.612 125.507 119.914 -0.032 0.000 2.448 1488 V HA 0.684 4.806 4.120 0.003 0.000 0.295 1488 V C -0.994 175.220 176.094 0.200 0.000 1.025 1488 V CA -0.416 61.876 62.300 -0.013 0.000 0.859 1488 V CB 1.360 33.137 31.823 -0.076 0.000 0.988 1488 V HN 0.804 nan 8.190 nan 0.000 0.431 1489 F N 3.665 123.700 119.950 0.142 0.000 2.686 1489 F HA 0.867 5.395 4.527 0.002 0.000 0.311 1489 F C -1.570 174.199 175.800 -0.052 0.000 1.128 1489 F CA -1.367 56.702 58.000 0.115 0.000 0.946 1489 F CB 1.993 40.942 39.000 -0.084 0.000 1.336 1489 F HN 0.430 nan 8.300 nan 0.000 0.457 1490 L N 2.422 123.543 121.223 -0.170 0.000 2.409 1490 L HA 0.924 5.266 4.340 0.003 0.000 0.272 1490 L C -1.255 175.619 176.870 0.008 0.000 0.980 1490 L CA -0.722 53.793 54.840 -0.542 0.000 0.826 1490 L CB 1.638 42.723 42.059 -1.623 0.000 1.268 1490 L HN 1.103 nan 8.230 nan 0.000 0.407 1491 A N 4.659 127.569 122.820 0.149 0.000 2.292 1491 A HA 0.604 4.925 4.320 0.003 0.000 0.319 1491 A C 0.360 177.922 177.584 -0.037 0.000 1.206 1491 A CA -0.591 51.568 52.037 0.204 0.000 0.835 1491 A CB 1.107 20.349 19.000 0.404 0.000 1.164 1491 A HN 0.971 nan 8.150 nan 0.000 0.505 1492 R N 1.923 122.335 120.500 -0.146 0.000 2.206 1492 R HA 0.147 4.489 4.340 0.003 0.000 0.198 1492 R C 0.935 177.185 176.300 -0.084 0.000 0.986 1492 R CA 0.705 56.738 56.100 -0.112 0.000 1.029 1492 R CB 0.618 30.841 30.300 -0.128 0.000 0.966 1492 R HN 0.721 nan 8.270 nan 0.000 0.487 1493 G N 0.883 109.626 108.800 -0.096 0.000 2.416 1493 G HA2 0.292 4.253 3.960 0.003 0.000 0.329 1493 G HA3 0.292 4.253 3.960 0.003 0.000 0.329 1493 G C -2.129 172.778 174.900 0.011 0.000 1.173 1493 G CA -1.261 43.808 45.100 -0.052 0.000 0.929 1493 G HN -0.151 nan 8.290 nan 0.000 0.475 1494 P HA 0.070 nan 4.420 nan 0.000 0.236 1494 P C 0.268 177.594 177.300 0.043 0.000 1.177 1494 P CA 0.322 63.449 63.100 0.044 0.000 0.773 1494 P CB 0.644 32.368 31.700 0.041 0.000 0.878 1495 S N -1.018 114.695 115.700 0.021 0.000 2.549 1495 S HA 0.739 5.210 4.470 0.003 0.000 0.280 1495 S C -0.064 174.517 174.600 -0.031 0.000 1.109 1495 S CA -0.248 57.939 58.200 -0.023 0.000 0.905 1495 S CB 2.336 65.541 63.200 0.008 0.000 1.081 1495 S HN 0.367 nan 8.310 nan 0.000 0.477 1496 G N 0.591 109.327 108.800 -0.107 0.000 2.350 1496 G HA2 0.342 4.304 3.960 0.003 0.000 0.304 1496 G HA3 0.342 4.304 3.960 0.003 0.000 0.304 1496 G C -2.115 172.733 174.900 -0.086 0.000 1.421 1496 G CA -1.037 44.035 45.100 -0.048 0.000 0.934 1496 G HN 0.687 nan 8.290 nan 0.000 0.632 1497 L N 0.540 121.773 121.223 0.017 0.000 2.367 1497 L HA 0.632 4.974 4.340 0.003 0.000 0.275 1497 L C 0.847 177.652 176.870 -0.107 0.000 1.129 1497 L CA -0.059 54.794 54.840 0.021 0.000 0.839 1497 L CB 0.642 42.825 42.059 0.207 0.000 1.133 1497 L HN 0.578 nan 8.230 nan 0.000 0.453 1498 L N 4.742 125.829 121.223 -0.227 0.000 2.362 1498 L HA 0.342 4.683 4.340 0.003 0.000 0.204 1498 L C 0.028 176.764 176.870 -0.223 0.000 1.060 1498 L CA 0.119 54.700 54.840 -0.432 0.000 0.827 1498 L CB 0.246 41.924 42.059 -0.636 0.000 1.027 1498 L HN 0.549 nan 8.230 nan 0.000 0.474 1499 L N -0.934 120.255 121.223 -0.057 0.000 2.482 1499 L HA 0.461 4.803 4.340 0.003 0.000 0.263 1499 L C -2.001 174.999 176.870 0.216 0.000 0.957 1499 L CA -0.664 54.208 54.840 0.053 0.000 0.836 1499 L CB 2.540 44.596 42.059 -0.004 0.000 1.324 1499 L HN -0.091 nan 8.230 nan 0.000 0.406 1500 Y N 4.058 124.440 120.300 0.136 0.000 2.479 1500 Y HA 0.526 5.078 4.550 0.003 0.000 0.338 1500 Y C -1.479 174.552 175.900 0.218 0.000 1.055 1500 Y CA -0.588 57.627 58.100 0.193 0.000 1.023 1500 Y CB 2.019 40.572 38.460 0.154 0.000 1.287 1500 Y HN 0.719 nan 8.280 nan 0.000 0.447 1501 N N 3.237 121.724 118.700 -0.354 0.000 2.425 1501 N HA 0.670 5.412 4.740 0.003 0.000 0.289 1501 N C -1.112 174.195 175.510 -0.339 0.000 1.074 1501 N CA -0.529 52.430 53.050 -0.152 0.000 0.905 1501 N CB 1.764 40.255 38.487 0.007 0.000 1.586 1501 N HN 0.914 nan 8.380 nan 0.000 0.490 1502 G N 0.439 109.200 108.800 -0.066 0.000 3.013 1502 G HA2 0.179 4.141 3.960 0.003 0.000 0.278 1502 G HA3 0.179 4.141 3.960 0.003 0.000 0.278 1502 G C -0.093 174.866 174.900 0.099 0.000 1.353 1502 G CA -0.148 44.991 45.100 0.066 0.000 1.043 1502 G HN 0.561 nan 8.290 nan 0.000 0.523 1503 Q N -1.212 118.656 119.800 0.113 0.000 2.200 1503 Q HA 0.352 4.694 4.340 0.003 0.000 0.197 1503 Q C 1.315 177.357 176.000 0.070 0.000 0.953 1503 Q CA 1.534 57.376 55.803 0.065 0.000 0.851 1503 Q CB 0.004 28.781 28.738 0.065 0.000 0.938 1503 Q HN 0.633 nan 8.270 nan 0.000 0.488 1504 K N -0.319 120.142 120.400 0.102 0.000 2.175 1504 K HA 0.572 4.894 4.320 0.003 0.000 0.257 1504 K C -0.265 176.393 176.600 0.096 0.000 1.026 1504 K CA -0.082 56.254 56.287 0.081 0.000 0.866 1504 K CB 0.828 33.364 32.500 0.060 0.000 1.474 1504 K HN 0.313 nan 8.250 nan 0.000 0.442 1508 K N 0.190 120.614 120.400 0.041 0.000 2.082 1508 K HA 0.993 5.314 4.320 0.003 0.000 0.246 1508 K C 1.108 177.776 176.600 0.114 0.000 1.061 1508 K CA 0.380 56.711 56.287 0.073 0.000 0.952 1508 K CB -0.085 32.446 32.500 0.052 0.000 1.513 1508 K HN 2.015 nan 8.250 nan 0.000 0.631 1509 G N 0.319 109.186 108.800 0.112 0.000 2.814 1509 G HA2 -0.053 3.909 3.960 0.003 0.000 0.677 1509 G HA3 -0.053 3.909 3.960 0.003 0.000 0.677 1509 G C -0.817 174.195 174.900 0.186 0.000 1.429 1509 G CA -0.033 45.139 45.100 0.119 0.000 0.868 1509 G HN 0.912 nan 8.290 nan 0.000 0.553 1510 D N -0.263 120.214 120.400 0.129 0.000 2.400 1510 D HA 0.577 5.219 4.640 0.003 0.000 0.238 1510 D C 0.586 177.001 176.300 0.193 0.000 1.157 1510 D CA 1.629 55.687 54.000 0.097 0.000 0.889 1510 D CB 0.419 41.237 40.800 0.031 0.000 1.199 1510 D HN 0.972 nan 8.370 nan 0.000 0.436 1511 F N -1.409 118.532 119.950 -0.015 0.000 2.770 1511 F HA 0.559 5.088 4.527 0.003 0.000 0.313 1511 F C -1.934 173.827 175.800 -0.065 0.000 1.154 1511 F CA -1.231 56.696 58.000 -0.123 0.000 0.923 1511 F CB 0.965 39.864 39.000 -0.167 0.000 1.301 1511 F HN 0.172 nan 8.300 nan 0.000 0.449 1512 V N 2.138 122.010 119.914 -0.070 0.000 2.709 1512 V HA 0.892 5.014 4.120 0.003 0.000 0.308 1512 V C -1.185 175.041 176.094 0.221 0.000 1.062 1512 V CA 0.314 62.637 62.300 0.037 0.000 0.901 1512 V CB 1.949 33.829 31.823 0.094 0.000 1.003 1512 V HN 1.515 nan 8.190 nan 0.000 0.425 1513 S N 6.234 122.165 115.700 0.385 0.000 2.588 1513 S HA 0.874 5.346 4.470 0.003 0.000 0.275 1513 S C -1.505 173.321 174.600 0.378 0.000 1.130 1513 S CA -0.786 57.650 58.200 0.394 0.000 0.855 1513 S CB 1.903 65.421 63.200 0.530 0.000 1.116 1513 S HN 1.236 nan 8.310 nan 0.000 0.472 1514 L N 1.112 122.476 121.223 0.235 0.000 2.431 1514 L HA 0.977 5.319 4.340 0.003 0.000 0.266 1514 L C -0.697 176.181 176.870 0.014 0.000 0.978 1514 L CA -0.128 54.791 54.840 0.131 0.000 0.822 1514 L CB 1.562 43.621 42.059 -0.001 0.000 1.310 1514 L HN 1.393 nan 8.230 nan 0.000 0.409 1515 A N 4.273 127.074 122.820 -0.032 0.000 2.610 1515 A HA 0.746 5.068 4.320 0.003 0.000 0.291 1515 A C -1.991 175.454 177.584 -0.232 0.000 1.086 1515 A CA -0.611 51.324 52.037 -0.170 0.000 0.677 1515 A CB 1.213 20.112 19.000 -0.168 0.000 1.278 1515 A HN 0.660 nan 8.150 nan 0.000 0.414 1516 L N 1.986 123.016 121.223 -0.321 0.000 2.307 1516 L HA 0.526 4.868 4.340 0.003 0.000 0.282 1516 L C -0.729 175.934 176.870 -0.344 0.000 1.051 1516 L CA -0.493 54.217 54.840 -0.216 0.000 0.804 1516 L CB 1.137 43.116 42.059 -0.133 0.000 1.197 1516 L HN 0.673 nan 8.230 nan 0.000 0.431 1517 H N 4.536 123.652 119.070 0.077 0.000 3.078 1517 H HA 0.210 4.768 4.556 0.003 0.000 0.319 1517 H C -0.496 174.899 175.328 0.112 0.000 0.995 1517 H CA -0.711 55.381 56.048 0.073 0.000 1.417 1517 H CB 1.419 31.216 29.762 0.058 0.000 1.598 1517 H HN 0.574 nan 8.280 nan 0.000 0.515 1518 N N 3.074 121.888 118.700 0.189 0.000 2.714 1518 N HA -0.249 4.493 4.740 0.003 0.000 0.252 1518 N C 0.402 176.026 175.510 0.191 0.000 1.014 1518 N CA 1.094 54.241 53.050 0.162 0.000 0.735 1518 N CB -0.667 37.910 38.487 0.151 0.000 0.924 1518 N HN 0.840 nan 8.380 nan 0.000 0.540 1519 R N -2.929 117.648 120.500 0.128 0.000 3.922 1519 R HA -0.198 4.143 4.340 0.003 0.000 0.447 1519 R C -0.406 175.891 176.300 -0.006 0.000 1.035 1519 R CA 1.192 57.329 56.100 0.062 0.000 1.289 1519 R CB -1.437 28.875 30.300 0.018 0.000 1.906 1519 R HN 0.571 nan 8.270 nan 0.000 0.540 1520 H N 0.908 120.030 119.070 0.086 0.000 2.502 1520 H HA 0.271 4.828 4.556 0.002 0.000 0.327 1520 H C 0.529 175.910 175.328 0.089 0.000 1.099 1520 H CA -0.461 55.644 56.048 0.094 0.000 1.323 1520 H CB 0.942 30.765 29.762 0.101 0.000 1.450 1520 H HN -0.027 nan 8.280 nan 0.000 0.502 1521 L N 2.621 123.943 121.223 0.165 0.000 2.416 1521 L HA 0.119 4.461 4.340 0.003 0.000 0.272 1521 L C 0.572 177.556 176.870 0.190 0.000 1.161 1521 L CA 0.492 55.408 54.840 0.127 0.000 0.845 1521 L CB 0.455 42.583 42.059 0.116 0.000 1.119 1521 L HN 0.571 nan 8.230 nan 0.000 0.464 1522 E N 2.629 122.939 120.200 0.184 0.000 2.241 1522 E HA 0.301 4.652 4.350 0.003 0.000 0.263 1522 E C -1.663 175.107 176.600 0.283 0.000 0.882 1522 E CA -0.708 55.835 56.400 0.238 0.000 0.769 1522 E CB 1.495 31.372 29.700 0.295 0.000 1.185 1522 E HN 0.317 nan 8.360 nan 0.000 0.415 1523 F N 4.912 124.925 119.950 0.106 0.000 2.411 1523 F HA 0.547 5.076 4.527 0.002 0.000 0.352 1523 F C -0.923 174.932 175.800 0.091 0.000 1.123 1523 F CA -0.763 57.307 58.000 0.117 0.000 1.044 1523 F CB 0.626 39.704 39.000 0.129 0.000 1.135 1523 F HN 0.418 nan 8.300 nan 0.000 0.461 1524 R N 5.628 126.158 120.500 0.050 0.000 2.744 1524 R HA 0.601 4.943 4.340 0.003 0.000 0.279 1524 R C -1.791 174.331 176.300 -0.297 0.000 0.977 1524 R CA -0.967 55.019 56.100 -0.189 0.000 0.906 1524 R CB 2.625 33.018 30.300 0.154 0.000 1.197 1524 R HN 0.722 nan 8.270 nan 0.000 0.463 1525 Y N -1.844 118.129 120.300 -0.544 0.000 2.592 1525 Y HA 0.519 5.071 4.550 0.003 0.000 0.334 1525 Y C -1.532 173.920 175.900 -0.748 0.000 1.136 1525 Y CA -1.405 56.227 58.100 -0.779 0.000 1.042 1525 Y CB 1.767 39.919 38.460 -0.513 0.000 1.325 1525 Y HN 0.370 nan 8.280 nan 0.000 0.457 1526 D N 2.422 122.380 120.400 -0.735 0.000 2.696 1526 D HA 0.381 5.023 4.640 0.003 0.000 0.251 1526 D C -0.537 175.663 176.300 -0.166 0.000 1.188 1526 D CA -0.493 53.296 54.000 -0.352 0.000 0.876 1526 D CB 1.971 42.633 40.800 -0.232 0.000 1.334 1526 D HN 0.812 nan 8.370 nan 0.000 0.540 1527 L N 2.536 123.727 121.223 -0.052 0.000 2.667 1527 L HA 0.407 4.749 4.340 0.003 0.000 0.232 1527 L C 1.473 178.357 176.870 0.022 0.000 1.138 1527 L CA 0.182 55.030 54.840 0.013 0.000 0.921 1527 L CB 0.414 42.517 42.059 0.073 0.000 1.180 1527 L HN 0.705 nan 8.230 nan 0.000 0.487 1528 G N 0.551 109.287 108.800 -0.106 0.000 2.260 1528 G HA2 -0.225 3.737 3.960 0.003 0.000 0.179 1528 G HA3 -0.225 3.737 3.960 0.003 0.000 0.179 1528 G C 0.541 175.102 174.900 -0.564 0.000 1.002 1528 G CA -0.135 44.802 45.100 -0.272 0.000 0.677 1528 G HN 0.178 nan 8.290 nan 0.000 0.486 1529 K N 0.524 120.658 120.400 -0.444 0.000 2.536 1529 K HA 0.560 4.881 4.320 0.003 0.000 0.203 1529 K C 0.719 177.231 176.600 -0.147 0.000 1.063 1529 K CA 1.084 57.178 56.287 -0.323 0.000 1.063 1529 K CB 0.677 33.014 32.500 -0.272 0.000 0.843 1529 K HN 1.703 nan 8.250 nan 0.000 0.521 1530 G N -0.249 108.483 108.800 -0.113 0.000 2.570 1530 G HA2 0.180 4.141 3.960 0.003 0.000 0.686 1530 G HA3 0.180 4.141 3.960 0.003 0.000 0.686 1530 G C -1.073 173.768 174.900 -0.098 0.000 1.257 1530 G CA -0.667 44.394 45.100 -0.066 0.000 0.846 1530 G HN 0.305 nan 8.290 nan 0.000 0.627 1531 A N 0.184 122.956 122.820 -0.080 0.000 2.328 1531 A HA 0.935 5.256 4.320 0.003 0.000 0.284 1531 A C 0.982 178.403 177.584 -0.272 0.000 1.160 1531 A CA 0.993 52.928 52.037 -0.170 0.000 0.818 1531 A CB 0.632 19.637 19.000 0.008 0.000 1.087 1531 A HN 2.554 nan 8.150 nan 0.000 0.504 1532 A N 2.400 124.897 122.820 -0.538 0.000 2.462 1532 A HA 0.544 4.866 4.320 0.003 0.000 0.243 1532 A C -0.122 177.164 177.584 -0.497 0.000 1.076 1532 A CA 0.156 51.809 52.037 -0.639 0.000 0.773 1532 A CB -0.235 18.024 19.000 -1.236 0.000 1.010 1532 A HN 0.781 nan 8.150 nan 0.000 0.493 1533 I N 3.006 123.398 120.570 -0.296 0.000 2.476 1533 I HA 0.307 4.479 4.170 0.003 0.000 0.281 1533 I C -0.930 175.128 176.117 -0.100 0.000 1.040 1533 I CA 0.130 61.335 61.300 -0.158 0.000 1.094 1533 I CB 1.305 39.256 38.000 -0.081 0.000 1.219 1533 I HN 0.458 nan 8.210 nan 0.000 0.450 1534 I N 6.161 126.703 120.570 -0.046 0.000 2.411 1534 I HA 0.460 4.632 4.170 0.003 0.000 0.284 1534 I C -0.155 176.047 176.117 0.142 0.000 1.012 1534 I CA -0.511 60.824 61.300 0.059 0.000 1.119 1534 I CB 1.596 39.672 38.000 0.126 0.000 1.261 1534 I HN 0.541 nan 8.210 nan 0.000 0.448 1535 R N 4.631 125.204 120.500 0.121 0.000 2.514 1535 R HA 0.487 4.829 4.340 0.003 0.000 0.301 1535 R C -0.014 176.399 176.300 0.188 0.000 0.962 1535 R CA -0.451 55.740 56.100 0.152 0.000 0.882 1535 R CB 1.704 32.055 30.300 0.084 0.000 1.143 1535 R HN 0.772 nan 8.270 nan 0.000 0.452 1536 S N 2.351 118.199 115.700 0.246 0.000 2.563 1536 S HA 0.077 4.549 4.470 0.003 0.000 0.284 1536 S C 1.443 176.213 174.600 0.283 0.000 1.331 1536 S CA 0.136 58.471 58.200 0.225 0.000 1.047 1536 S CB 1.429 64.727 63.200 0.162 0.000 0.859 1536 S HN 0.843 nan 8.310 nan 0.000 0.514 1537 K N 2.321 122.829 120.400 0.180 0.000 2.025 1537 K HA 0.012 4.334 4.320 0.003 0.000 0.207 1537 K C 0.937 177.663 176.600 0.211 0.000 1.049 1537 K CA 1.562 57.950 56.287 0.169 0.000 0.933 1537 K CB -0.985 31.577 32.500 0.104 0.000 0.714 1537 K HN 0.895 nan 8.250 nan 0.000 0.438 1538 E N 0.394 120.646 120.200 0.087 0.000 2.222 1538 E HA 0.280 4.632 4.350 0.003 0.000 0.272 1538 E C -2.587 173.790 176.600 -0.373 0.000 0.982 1538 E CA -2.616 53.766 56.400 -0.031 0.000 0.842 1538 E CB 1.771 31.459 29.700 -0.020 0.000 1.144 1538 E HN 0.250 nan 8.360 nan 0.000 0.397 1539 P HA 0.083 nan 4.420 nan 0.000 0.275 1539 P C -0.168 177.007 177.300 -0.208 0.000 1.228 1539 P CA -0.160 62.618 63.100 -0.538 0.000 0.786 1539 P CB 0.520 32.062 31.700 -0.262 0.000 0.927 1540 I N -0.673 119.818 120.570 -0.131 0.000 2.823 1540 I HA 0.543 4.715 4.170 0.003 0.000 0.290 1540 I C 0.066 176.163 176.117 -0.034 0.000 1.091 1540 I CA -1.064 60.208 61.300 -0.047 0.000 1.365 1540 I CB 0.730 38.747 38.000 0.028 0.000 1.427 1540 I HN 0.237 nan 8.210 nan 0.000 0.583 1541 A N 6.619 129.418 122.820 -0.034 0.000 2.309 1541 A HA 0.518 4.840 4.320 0.003 0.000 0.290 1541 A C 0.068 177.632 177.584 -0.032 0.000 1.206 1541 A CA -0.631 51.388 52.037 -0.029 0.000 0.850 1541 A CB -0.066 18.915 19.000 -0.032 0.000 1.118 1541 A HN 0.735 nan 8.150 nan 0.000 0.523 1542 L N 2.025 123.237 121.223 -0.018 0.000 2.506 1542 L HA 0.319 4.661 4.340 0.003 0.000 0.281 1542 L C 1.539 178.372 176.870 -0.061 0.000 1.228 1542 L CA 1.097 55.922 54.840 -0.024 0.000 0.850 1542 L CB 0.139 42.191 42.059 -0.013 0.000 1.110 1542 L HN 1.170 nan 8.230 nan 0.000 0.496 1543 G N 1.005 109.743 108.800 -0.103 0.000 2.143 1543 G HA2 -0.247 3.715 3.960 0.003 0.000 0.249 1543 G HA3 -0.247 3.715 3.960 0.003 0.000 0.249 1543 G C 0.172 174.960 174.900 -0.187 0.000 0.981 1543 G CA 0.269 45.289 45.100 -0.133 0.000 0.665 1543 G HN 0.910 nan 8.290 nan 0.000 0.528 1544 T N -3.168 111.245 114.554 -0.235 0.000 2.916 1544 T HA 0.607 4.958 4.350 0.003 0.000 0.292 1544 T C -0.348 174.118 174.700 -0.390 0.000 1.055 1544 T CA -0.947 61.017 62.100 -0.227 0.000 1.009 1544 T CB 1.694 70.503 68.868 -0.098 0.000 1.118 1544 T HN 0.425 nan 8.240 nan 0.000 0.497 1545 W N 1.404 122.617 121.300 -0.145 0.000 2.311 1545 W HA 0.568 5.230 4.660 0.003 0.000 0.310 1545 W C -0.582 175.750 176.519 -0.313 0.000 1.274 1545 W CA -0.504 56.702 57.345 -0.232 0.000 1.215 1545 W CB 1.029 30.390 29.460 -0.165 0.000 1.227 1545 W HN 0.487 nan 8.180 nan 0.000 0.523 1546 V N 4.452 124.154 119.914 -0.354 0.000 2.604 1546 V HA 0.500 4.622 4.120 0.003 0.000 0.305 1546 V C -0.252 175.567 176.094 -0.459 0.000 1.043 1546 V CA -1.467 60.539 62.300 -0.490 0.000 0.888 1546 V CB 1.739 33.031 31.823 -0.886 0.000 0.995 1546 V HN 0.472 nan 8.190 nan 0.000 0.429 1547 R N 2.660 122.996 120.500 -0.273 0.000 2.445 1547 R HA 0.803 5.145 4.340 0.003 0.000 0.308 1547 R C -1.672 174.439 176.300 -0.315 0.000 0.961 1547 R CA -0.349 55.567 56.100 -0.307 0.000 0.862 1547 R CB 1.878 32.030 30.300 -0.248 0.000 1.144 1547 R HN 0.565 nan 8.270 nan 0.000 0.447 1548 V N 6.011 125.688 119.914 -0.394 0.000 2.656 1548 V HA 0.610 4.732 4.120 0.003 0.000 0.307 1548 V C -1.664 174.122 176.094 -0.514 0.000 1.051 1548 V CA -0.639 61.505 62.300 -0.260 0.000 0.893 1548 V CB 1.615 33.435 31.823 -0.005 0.000 0.999 1548 V HN 0.725 nan 8.190 nan 0.000 0.426 1549 F N 6.327 126.246 119.950 -0.052 0.000 2.507 1549 F HA 0.676 5.204 4.527 0.002 0.000 0.325 1549 F C -0.133 175.574 175.800 -0.154 0.000 1.116 1549 F CA -0.682 57.265 58.000 -0.088 0.000 0.930 1549 F CB 1.794 40.761 39.000 -0.056 0.000 1.146 1549 F HN 0.212 nan 8.300 nan 0.000 0.447 1550 L N 3.188 124.350 121.223 -0.103 0.000 2.329 1550 L HA 0.631 4.973 4.340 0.003 0.000 0.279 1550 L C -0.681 176.090 176.870 -0.165 0.000 1.014 1550 L CA -0.670 53.936 54.840 -0.390 0.000 0.814 1550 L CB 2.054 43.556 42.059 -0.927 0.000 1.257 1550 L HN 0.621 nan 8.230 nan 0.000 0.424 1551 E N 2.737 122.924 120.200 -0.021 0.000 2.293 1551 E HA 0.588 4.940 4.350 0.003 0.000 0.270 1551 E C -1.252 175.462 176.600 0.190 0.000 0.879 1551 E CA -0.959 55.485 56.400 0.073 0.000 0.756 1551 E CB 3.527 33.268 29.700 0.068 0.000 1.208 1551 E HN 0.387 nan 8.360 nan 0.000 0.428 1552 R N 2.205 122.758 120.500 0.089 0.000 2.564 1552 R HA 0.349 4.691 4.340 0.003 0.000 0.284 1552 R C -1.673 174.604 176.300 -0.039 0.000 1.031 1552 R CA -0.635 55.461 56.100 -0.007 0.000 0.904 1552 R CB 1.258 31.431 30.300 -0.212 0.000 1.199 1552 R HN 0.444 nan 8.270 nan 0.000 0.443 1553 N N 2.803 121.483 118.700 -0.034 0.000 2.573 1553 N HA 0.332 5.073 4.740 0.003 0.000 0.262 1553 N C 0.258 175.749 175.510 -0.033 0.000 1.029 1553 N CA 0.905 53.940 53.050 -0.025 0.000 0.882 1553 N CB 1.608 40.095 38.487 -0.000 0.000 1.204 1553 N HN 0.903 nan 8.380 nan 0.000 0.519 1554 G N 3.529 112.298 108.800 -0.051 0.000 2.629 1554 G HA2 -0.391 3.571 3.960 0.003 0.000 0.313 1554 G HA3 -0.391 3.571 3.960 0.003 0.000 0.313 1554 G C 0.924 175.798 174.900 -0.042 0.000 1.217 1554 G CA 0.552 45.628 45.100 -0.040 0.000 0.994 1554 G HN 0.638 nan 8.290 nan 0.000 0.549 1555 R N 0.687 121.201 120.500 0.022 0.000 2.193 1555 R HA 0.064 4.406 4.340 0.003 0.000 0.213 1555 R C 0.343 176.730 176.300 0.147 0.000 1.055 1555 R CA 0.778 56.936 56.100 0.097 0.000 0.995 1555 R CB -0.087 30.264 30.300 0.084 0.000 0.893 1555 R HN 0.217 nan 8.270 nan 0.000 0.459 1556 K N 1.167 121.615 120.400 0.079 0.000 2.201 1556 K HA 0.338 4.660 4.320 0.003 0.000 0.278 1556 K C 0.159 176.837 176.600 0.131 0.000 1.027 1556 K CA -0.164 56.185 56.287 0.104 0.000 0.909 1556 K CB 1.790 34.327 32.500 0.063 0.000 1.062 1556 K HN 0.083 nan 8.250 nan 0.000 0.465 1557 G N -0.004 108.927 108.800 0.218 0.000 2.574 1557 G HA2 0.759 4.721 3.960 0.003 0.000 0.299 1557 G HA3 0.759 4.721 3.960 0.003 0.000 0.299 1557 G C -1.498 173.575 174.900 0.289 0.000 1.298 1557 G CA -0.720 44.568 45.100 0.312 0.000 0.952 1557 G HN 0.588 nan 8.290 nan 0.000 0.477 1558 A N 0.201 123.239 122.820 0.364 0.000 2.520 1558 A HA 0.757 5.079 4.320 0.003 0.000 0.298 1558 A C -1.516 176.239 177.584 0.286 0.000 1.051 1558 A CA -0.533 51.661 52.037 0.261 0.000 0.690 1558 A CB 1.794 20.883 19.000 0.149 0.000 1.281 1558 A HN 1.291 nan 8.150 nan 0.000 0.402 1559 L N 1.414 122.782 121.223 0.242 0.000 2.362 1559 L HA 0.725 5.067 4.340 0.003 0.000 0.275 1559 L C -0.572 176.389 176.870 0.151 0.000 0.998 1559 L CA -0.274 54.678 54.840 0.185 0.000 0.820 1559 L CB 1.729 43.931 42.059 0.238 0.000 1.270 1559 L HN 0.857 nan 8.230 nan 0.000 0.415 1560 Q N 3.860 123.758 119.800 0.164 0.000 2.304 1560 Q HA 0.555 4.896 4.340 0.003 0.000 0.270 1560 Q C -1.975 174.164 176.000 0.232 0.000 1.035 1560 Q CA -0.747 55.167 55.803 0.185 0.000 0.781 1560 Q CB 2.530 31.371 28.738 0.171 0.000 1.261 1560 Q HN 0.573 nan 8.270 nan 0.000 0.444 1561 V N 3.958 123.969 119.914 0.161 0.000 2.417 1561 V HA 0.615 4.737 4.120 0.003 0.000 0.291 1561 V C 0.992 177.159 176.094 0.121 0.000 1.024 1561 V CA 0.415 62.787 62.300 0.119 0.000 0.861 1561 V CB 0.597 32.464 31.823 0.073 0.000 0.985 1561 V HN 1.110 nan 8.190 nan 0.000 0.436 1562 G N 5.136 114.010 108.800 0.124 0.000 2.651 1562 G HA2 -0.336 3.626 3.960 0.003 0.000 0.315 1562 G HA3 -0.336 3.626 3.960 0.003 0.000 0.315 1562 G C 0.441 175.443 174.900 0.169 0.000 1.258 1562 G CA 0.760 45.937 45.100 0.129 0.000 1.002 1562 G HN 1.014 nan 8.290 nan 0.000 0.551 1563 D N 1.562 122.014 120.400 0.087 0.000 2.363 1563 D HA 0.410 5.051 4.640 0.003 0.000 0.214 1563 D C 1.254 177.574 176.300 0.034 0.000 1.093 1563 D CA 0.932 54.961 54.000 0.048 0.000 0.837 1563 D CB -0.597 40.221 40.800 0.029 0.000 0.948 1563 D HN 0.837 nan 8.370 nan 0.000 0.507 1564 G N 0.925 109.755 108.800 0.050 0.000 2.667 1564 G HA2 0.380 4.342 3.960 0.003 0.000 0.250 1564 G HA3 0.380 4.342 3.960 0.003 0.000 0.250 1564 G C -2.394 172.528 174.900 0.038 0.000 1.212 1564 G CA -0.960 44.165 45.100 0.042 0.000 0.874 1564 G HN 0.024 nan 8.290 nan 0.000 0.561 1565 P HA 0.144 nan 4.420 nan 0.000 0.269 1565 P C 0.025 177.353 177.300 0.046 0.000 1.209 1565 P CA -0.082 63.036 63.100 0.031 0.000 0.776 1565 P CB 0.511 32.230 31.700 0.031 0.000 0.876 1566 R N 0.910 121.434 120.500 0.040 0.000 2.537 1566 R HA 0.250 4.592 4.340 0.003 0.000 0.280 1566 R C -0.459 175.885 176.300 0.072 0.000 1.058 1566 R CA -0.402 55.733 56.100 0.059 0.000 1.057 1566 R CB 0.128 30.456 30.300 0.046 0.000 0.973 1566 R HN 0.253 nan 8.270 nan 0.000 0.438 1567 V N 5.708 125.680 119.914 0.097 0.000 2.407 1567 V HA 0.283 4.404 4.120 0.003 0.000 0.278 1567 V C 0.230 176.393 176.094 0.114 0.000 1.037 1567 V CA -0.505 61.855 62.300 0.100 0.000 0.900 1567 V CB 1.119 33.011 31.823 0.115 0.000 0.983 1567 V HN 0.524 nan 8.190 nan 0.000 0.459 1568 L N 4.280 125.557 121.223 0.090 0.000 2.334 1568 L HA 1.001 5.343 4.340 0.003 0.000 0.272 1568 L C 0.613 177.527 176.870 0.073 0.000 1.020 1568 L CA -0.237 54.658 54.840 0.092 0.000 0.812 1568 L CB 1.861 43.962 42.059 0.070 0.000 1.264 1568 L HN 0.794 nan 8.230 nan 0.000 0.439 1569 G N 0.787 109.632 108.800 0.076 0.000 2.606 1569 G HA2 0.629 4.591 3.960 0.003 0.000 0.300 1569 G HA3 0.629 4.591 3.960 0.003 0.000 0.300 1569 G C -2.073 172.848 174.900 0.035 0.000 1.360 1569 G CA -0.412 44.703 45.100 0.025 0.000 0.783 1569 G HN 0.694 nan 8.290 nan 0.000 0.484 1570 E N -1.198 118.989 120.200 -0.022 0.000 2.388 1570 E HA 0.569 4.921 4.350 0.003 0.000 0.280 1570 E C -0.629 175.922 176.600 -0.082 0.000 1.019 1570 E CA -0.807 55.599 56.400 0.009 0.000 0.806 1570 E CB 1.467 31.190 29.700 0.039 0.000 1.246 1570 E HN 0.803 nan 8.360 nan 0.000 0.443 1571 S N 1.143 116.819 115.700 -0.040 0.000 2.652 1571 S HA 0.573 5.045 4.470 0.003 0.000 0.270 1571 S C -2.365 172.226 174.600 -0.016 0.000 1.243 1571 S CA -1.144 57.007 58.200 -0.082 0.000 0.999 1571 S CB 0.643 63.822 63.200 -0.035 0.000 0.973 1571 S HN 0.398 nan 8.310 nan 0.000 0.544 1572 P HA 0.218 nan 4.420 nan 0.000 0.272 1572 P C -0.727 176.594 177.300 0.034 0.000 1.223 1572 P CA -0.606 62.490 63.100 -0.005 0.000 0.784 1572 P CB 0.360 32.046 31.700 -0.024 0.000 0.923 1573 V N 5.703 125.641 119.914 0.040 0.000 2.493 1573 V HA 0.049 4.171 4.120 0.003 0.000 0.292 1573 V C -1.136 175.024 176.094 0.110 0.000 1.016 1573 V CA 0.510 62.848 62.300 0.064 0.000 1.097 1573 V CB 0.386 32.232 31.823 0.039 0.000 0.947 1573 V HN 0.781 nan 8.190 nan 0.000 0.479 1574 P HA 0.159 nan 4.420 nan 0.000 0.491 1574 P C -0.172 177.176 177.300 0.081 0.000 1.114 1574 P CA -0.247 62.906 63.100 0.087 0.000 2.071 1574 P CB 0.703 32.422 31.700 0.030 0.000 1.292 1575 H N 1.406 120.477 119.070 0.002 0.000 2.964 1575 H HA 0.278 4.835 4.556 0.003 0.000 0.328 1575 H C 1.508 176.837 175.328 0.002 0.000 1.030 1575 H CA 1.671 57.719 56.048 0.001 0.000 1.445 1575 H CB 0.417 30.179 29.762 0.001 0.000 1.449 1575 H HN 0.052 nan 8.280 nan 0.000 0.581 1576 T N -0.690 113.905 114.554 0.068 0.000 3.004 1576 T HA 0.308 4.660 4.350 0.003 0.000 0.266 1576 T C 0.393 175.096 174.700 0.006 0.000 0.986 1576 T CA -0.290 61.828 62.100 0.030 0.000 0.902 1576 T CB 0.348 69.218 68.868 0.004 0.000 1.118 1576 T HN 0.333 nan 8.240 nan 0.000 0.522 1577 M N 1.759 121.369 119.600 0.017 0.000 2.393 1577 M HA 0.596 5.078 4.480 0.003 0.000 0.316 1577 M C -1.659 174.643 176.300 0.004 0.000 1.087 1577 M CA -1.047 54.251 55.300 -0.003 0.000 0.937 1577 M CB 2.929 35.525 32.600 -0.007 0.000 1.668 1577 M HN 0.042 nan 8.290 nan 0.000 0.438 1578 L N 3.565 124.774 121.223 -0.022 0.000 2.264 1578 L HA 0.456 4.798 4.340 0.003 0.000 0.289 1578 L C -0.601 176.262 176.870 -0.011 0.000 1.044 1578 L CA 0.059 54.884 54.840 -0.026 0.000 0.807 1578 L CB 0.673 42.696 42.059 -0.059 0.000 1.192 1578 L HN 0.603 nan 8.230 nan 0.000 0.425 1579 N N 5.716 124.415 118.700 -0.003 0.000 2.699 1579 N HA 0.335 5.076 4.740 0.003 0.000 0.232 1579 N C -1.467 174.034 175.510 -0.016 0.000 1.027 1579 N CA -0.228 52.818 53.050 -0.008 0.000 0.920 1579 N CB 0.180 38.668 38.487 0.002 0.000 1.148 1579 N HN 0.601 nan 8.380 nan 0.000 0.509 1580 L N 2.095 123.302 121.223 -0.026 0.000 2.289 1580 L HA 0.517 4.859 4.340 0.003 0.000 0.285 1580 L C 1.347 178.107 176.870 -0.183 0.000 1.049 1580 L CA -0.384 54.437 54.840 -0.032 0.000 0.804 1580 L CB 1.359 43.448 42.059 0.049 0.000 1.195 1580 L HN 0.533 nan 8.230 nan 0.000 0.428 1581 K N 2.091 122.390 120.400 -0.169 0.000 2.548 1581 K HA 0.226 4.548 4.320 0.003 0.000 0.209 1581 K C 0.646 177.163 176.600 -0.139 0.000 1.420 1581 K CA 0.020 56.133 56.287 -0.291 0.000 0.985 1581 K CB 0.401 32.815 32.500 -0.144 0.000 1.249 1581 K HN 0.565 nan 8.250 nan 0.000 0.557 1582 E N 0.713 120.919 120.200 0.010 0.000 2.322 1582 E HA 0.343 4.694 4.350 0.003 0.000 0.257 1582 E C -2.420 174.235 176.600 0.090 0.000 1.155 1582 E CA -2.120 54.330 56.400 0.083 0.000 0.936 1582 E CB 1.141 30.936 29.700 0.157 0.000 1.130 1582 E HN 0.110 nan 8.360 nan 0.000 0.465 1583 P HA 0.067 nan 4.420 nan 0.000 0.273 1583 P C -0.473 176.669 177.300 -0.263 0.000 1.250 1583 P CA -0.458 62.553 63.100 -0.148 0.000 0.793 1583 P CB 0.376 31.873 31.700 -0.338 0.000 1.011 1584 L N 2.113 123.231 121.223 -0.176 0.000 2.290 1584 L HA 0.347 4.689 4.340 0.003 0.000 0.284 1584 L C -1.259 175.488 176.870 -0.204 0.000 1.078 1584 L CA -0.274 54.514 54.840 -0.087 0.000 0.815 1584 L CB -0.547 41.556 42.059 0.074 0.000 1.162 1584 L HN 0.190 nan 8.230 nan 0.000 0.435 1585 Y N 4.134 124.546 120.300 0.187 0.000 2.341 1585 Y HA 0.635 5.187 4.550 0.003 0.000 0.337 1585 Y C -0.151 175.831 175.900 0.135 0.000 1.014 1585 Y CA -0.733 57.466 58.100 0.165 0.000 1.111 1585 Y CB 1.886 40.393 38.460 0.079 0.000 1.194 1585 Y HN 0.314 nan 8.280 nan 0.000 0.462 1586 V N 2.065 122.157 119.914 0.297 0.000 2.540 1586 V HA 0.608 4.729 4.120 0.003 0.000 0.302 1586 V C 0.571 176.670 176.094 0.007 0.000 1.035 1586 V CA -0.197 62.169 62.300 0.110 0.000 0.873 1586 V CB 1.225 33.111 31.823 0.105 0.000 0.992 1586 V HN 1.010 nan 8.190 nan 0.000 0.428 1587 G N 3.235 111.861 108.800 -0.291 0.000 2.205 1587 G HA2 0.109 4.070 3.960 0.003 0.000 0.261 1587 G HA3 0.109 4.070 3.960 0.003 0.000 0.261 1587 G C 0.648 175.546 174.900 -0.003 0.000 0.980 1587 G CA 0.127 44.859 45.100 -0.613 0.000 0.632 1587 G HN 2.046 nan 8.290 nan 0.000 0.533 1588 G N -1.654 107.240 108.800 0.157 0.000 2.344 1588 G HA2 0.758 4.720 3.960 0.003 0.000 0.282 1588 G HA3 0.758 4.720 3.960 0.003 0.000 0.282 1588 G C -0.773 174.102 174.900 -0.041 0.000 1.281 1588 G CA 1.139 46.391 45.100 0.253 0.000 0.877 1588 G HN 2.196 nan 8.290 nan 0.000 0.494 1589 A N -0.796 121.758 122.820 -0.443 0.000 2.612 1589 A HA 0.895 5.216 4.320 0.003 0.000 0.293 1589 A C -2.229 174.656 177.584 -1.166 0.000 1.075 1589 A CA -0.245 51.113 52.037 -1.131 0.000 0.680 1589 A CB 1.593 19.729 19.000 -1.440 0.000 1.279 1589 A HN 0.565 nan 8.150 nan 0.000 0.411 1590 P HA 0.044 nan 4.420 nan 0.000 0.222 1590 P C -0.265 176.769 177.300 -0.444 0.000 1.153 1590 P CA 1.437 64.056 63.100 -0.802 0.000 0.798 1590 P CB 0.264 31.582 31.700 -0.637 0.000 0.796 1591 D N -1.555 118.502 120.400 -0.571 0.000 2.365 1591 D HA 0.139 4.780 4.640 0.003 0.000 0.235 1591 D C 0.079 176.132 176.300 -0.411 0.000 1.368 1591 D CA -0.676 53.125 54.000 -0.332 0.000 1.001 1591 D CB 0.062 40.724 40.800 -0.230 0.000 1.364 1591 D HN -0.273 nan 8.370 nan 0.000 0.577 1592 F N 1.425 121.240 119.950 -0.226 0.000 2.451 1592 F HA -0.093 4.436 4.527 0.003 0.000 0.299 1592 F C 2.601 178.283 175.800 -0.197 0.000 1.101 1592 F CA 1.100 58.965 58.000 -0.226 0.000 1.436 1592 F CB 0.091 38.996 39.000 -0.158 0.000 1.074 1592 F HN 0.375 nan 8.300 nan 0.000 0.553 1593 S N 0.011 115.690 115.700 -0.035 0.000 2.515 1593 S HA -0.059 4.413 4.470 0.003 0.000 0.231 1593 S C 1.870 176.412 174.600 -0.096 0.000 0.987 1593 S CA 0.941 59.109 58.200 -0.054 0.000 0.936 1593 S CB -0.578 62.600 63.200 -0.037 0.000 0.766 1593 S HN 0.353 nan 8.310 nan 0.000 0.528 1594 K N 0.904 121.208 120.400 -0.159 0.000 2.404 1594 K HA 0.533 4.855 4.320 0.003 0.000 0.194 1594 K C 0.663 177.149 176.600 -0.190 0.000 1.023 1594 K CA 0.208 56.405 56.287 -0.150 0.000 1.094 1594 K CB -0.580 31.825 32.500 -0.157 0.000 0.841 1594 K HN 0.587 nan 8.250 nan 0.000 0.523 1595 L N 0.983 122.027 121.223 -0.300 0.000 2.399 1595 L HA 0.543 4.885 4.340 0.003 0.000 0.266 1595 L C 0.893 177.631 176.870 -0.221 0.000 1.114 1595 L CA -1.185 53.391 54.840 -0.439 0.000 0.804 1595 L CB 1.500 43.118 42.059 -0.734 0.000 1.146 1595 L HN 0.272 nan 8.230 nan 0.000 0.451 1596 A N 1.531 124.268 122.820 -0.138 0.000 2.567 1596 A HA 0.250 4.572 4.320 0.003 0.000 0.240 1596 A C 1.421 178.857 177.584 -0.247 0.000 1.053 1596 A CA 0.647 52.571 52.037 -0.189 0.000 0.755 1596 A CB 0.189 18.939 19.000 -0.417 0.000 0.978 1596 A HN 0.957 nan 8.150 nan 0.000 0.507 1597 R N 2.492 122.917 120.500 -0.126 0.000 2.120 1597 R HA -0.062 4.280 4.340 0.003 0.000 0.234 1597 R C 2.204 178.450 176.300 -0.090 0.000 1.123 1597 R CA 2.290 58.338 56.100 -0.086 0.000 0.975 1597 R CB -1.605 28.673 30.300 -0.037 0.000 0.866 1597 R HN 1.432 nan 8.270 nan 0.000 0.446 1598 G N -0.398 108.347 108.800 -0.092 0.000 2.559 1598 G HA2 0.130 4.092 3.960 0.003 0.000 0.216 1598 G HA3 0.130 4.092 3.960 0.003 0.000 0.216 1598 G C 1.752 176.665 174.900 0.022 0.000 1.126 1598 G CA 0.793 45.916 45.100 0.039 0.000 0.778 1598 G HN 0.790 nan 8.290 nan 0.000 0.543 1599 A N 0.191 122.813 122.820 -0.332 0.000 2.066 1599 A HA 0.493 4.815 4.320 0.003 0.000 0.218 1599 A C 2.055 179.686 177.584 0.079 0.000 1.157 1599 A CA 1.418 53.385 52.037 -0.117 0.000 0.670 1599 A CB -0.386 18.500 19.000 -0.191 0.000 0.804 1599 A HN 1.648 nan 8.150 nan 0.000 0.453 1600 A N -1.576 121.257 122.820 0.022 0.000 2.791 1600 A HA -0.003 4.319 4.320 0.003 0.000 0.292 1600 A C 0.462 178.138 177.584 0.153 0.000 1.487 1600 A CA 0.835 52.900 52.037 0.047 0.000 0.760 1600 A CB -2.662 16.337 19.000 -0.001 0.000 1.031 1600 A HN 1.852 nan 8.150 nan 0.000 0.503 1601 V N -5.259 114.733 119.914 0.129 0.000 2.823 1601 V HA 0.976 5.097 4.120 0.003 0.000 0.312 1601 V C 0.551 176.680 176.094 0.059 0.000 1.072 1601 V CA -0.097 62.295 62.300 0.154 0.000 0.937 1601 V CB 1.891 33.824 31.823 0.184 0.000 1.013 1601 V HN 1.761 nan 8.190 nan 0.000 0.430 1602 A N 2.332 125.071 122.820 -0.136 0.000 2.653 1602 A HA 0.752 5.074 4.320 0.003 0.000 0.248 1602 A C 0.588 177.593 177.584 -0.965 0.000 1.211 1602 A CA 0.539 52.332 52.037 -0.407 0.000 0.991 1602 A CB -0.050 18.838 19.000 -0.186 0.000 1.252 1602 A HN 1.830 nan 8.150 nan 0.000 0.593 1603 S N -1.490 113.647 115.700 -0.938 0.000 2.570 1603 S HA 0.721 5.192 4.470 0.003 0.000 0.270 1603 S C 0.158 174.608 174.600 -0.250 0.000 1.149 1603 S CA -0.128 57.634 58.200 -0.731 0.000 0.837 1603 S CB 0.899 63.943 63.200 -0.259 0.000 1.124 1603 S HN 1.061 nan 8.310 nan 0.000 0.465 1604 G N 0.105 108.961 108.800 0.095 0.000 2.547 1604 G HA2 0.528 4.490 3.960 0.003 0.000 0.291 1604 G HA3 0.528 4.490 3.960 0.003 0.000 0.291 1604 G C -0.902 174.115 174.900 0.195 0.000 1.211 1604 G CA -0.722 44.558 45.100 0.301 0.000 0.950 1604 G HN 0.664 nan 8.290 nan 0.000 0.504 1605 F N 0.488 120.440 119.950 0.003 0.000 2.443 1605 F HA 0.363 4.891 4.527 0.002 0.000 0.353 1605 F C -0.130 175.682 175.800 0.021 0.000 1.101 1605 F CA -1.432 56.525 58.000 -0.073 0.000 1.226 1605 F CB 1.494 40.358 39.000 -0.228 0.000 1.140 1605 F HN 0.265 nan 8.300 nan 0.000 0.557 1606 D N 3.955 124.074 120.400 -0.468 0.000 2.454 1606 D HA 0.568 5.209 4.640 0.003 0.000 0.225 1606 D C -0.093 175.619 176.300 -0.981 0.000 1.081 1606 D CA 0.271 53.962 54.000 -0.516 0.000 0.864 1606 D CB 0.521 41.162 40.800 -0.264 0.000 1.040 1606 D HN 0.900 nan 8.370 nan 0.000 0.517 1607 G N 1.192 109.392 108.800 -1.001 0.000 2.333 1607 G HA2 0.542 4.504 3.960 0.003 0.000 0.288 1607 G HA3 0.542 4.504 3.960 0.003 0.000 0.288 1607 G C -1.651 173.111 174.900 -0.229 0.000 1.286 1607 G CA -0.176 44.435 45.100 -0.816 0.000 0.865 1607 G HN 0.581 nan 8.290 nan 0.000 0.506 1608 A N -0.694 122.120 122.820 -0.011 0.000 2.355 1608 A HA 0.883 5.205 4.320 0.003 0.000 0.324 1608 A C -0.600 177.235 177.584 0.418 0.000 1.117 1608 A CA -0.627 51.503 52.037 0.154 0.000 0.785 1608 A CB 0.998 19.732 19.000 -0.444 0.000 1.254 1608 A HN 0.911 nan 8.150 nan 0.000 0.453 1609 I N 1.331 122.190 120.570 0.482 0.000 2.436 1609 I HA 0.292 4.463 4.170 0.003 0.000 0.289 1609 I C 0.894 177.144 176.117 0.222 0.000 1.010 1609 I CA -0.165 61.357 61.300 0.369 0.000 1.098 1609 I CB 2.115 40.282 38.000 0.279 0.000 1.266 1609 I HN 0.996 nan 8.210 nan 0.000 0.434 1610 Q N 6.099 126.007 119.800 0.179 0.000 2.373 1610 Q HA 0.317 4.659 4.340 0.003 0.000 0.210 1610 Q C -0.306 175.631 176.000 -0.106 0.000 0.913 1610 Q CA 0.527 56.321 55.803 -0.014 0.000 0.911 1610 Q CB 1.161 29.809 28.738 -0.149 0.000 1.040 1610 Q HN 0.672 nan 8.270 nan 0.000 0.521 1611 L N 0.615 121.786 121.223 -0.085 0.000 2.482 1611 L HA 0.525 4.867 4.340 0.003 0.000 0.263 1611 L C -1.901 174.885 176.870 -0.139 0.000 0.957 1611 L CA -0.844 53.912 54.840 -0.141 0.000 0.836 1611 L CB 2.467 44.441 42.059 -0.142 0.000 1.324 1611 L HN -0.205 nan 8.230 nan 0.000 0.406 1612 V N 3.210 123.013 119.914 -0.185 0.000 2.524 1612 V HA 0.589 4.711 4.120 0.003 0.000 0.297 1612 V C -0.399 175.561 176.094 -0.223 0.000 1.035 1612 V CA -0.335 61.856 62.300 -0.183 0.000 0.867 1612 V CB 1.770 33.490 31.823 -0.171 0.000 1.004 1612 V HN 0.827 nan 8.190 nan 0.000 0.426 1613 S N 4.969 120.562 115.700 -0.180 0.000 2.568 1613 S HA 0.897 5.369 4.470 0.003 0.000 0.293 1613 S C -1.199 173.335 174.600 -0.110 0.000 1.089 1613 S CA -0.811 57.285 58.200 -0.172 0.000 0.945 1613 S CB 2.365 65.486 63.200 -0.133 0.000 1.077 1613 S HN 0.643 nan 8.310 nan 0.000 0.485 1614 L N 2.234 123.408 121.223 -0.081 0.000 2.343 1614 L HA 0.764 5.105 4.340 0.003 0.000 0.278 1614 L C 0.830 177.723 176.870 0.039 0.000 0.996 1614 L CA 0.874 55.709 54.840 -0.009 0.000 0.831 1614 L CB 0.947 43.020 42.059 0.023 0.000 1.232 1614 L HN 1.347 nan 8.230 nan 0.000 0.413 1615 R N 3.075 123.596 120.500 0.035 0.000 3.405 1615 R HA -0.033 4.309 4.340 0.003 0.000 0.258 1615 R C 1.331 177.662 176.300 0.052 0.000 1.030 1615 R CA 1.569 57.695 56.100 0.043 0.000 0.691 1615 R CB -3.076 27.252 30.300 0.047 0.000 1.093 1615 R HN 2.453 nan 8.270 nan 0.000 0.448 1616 G N -2.503 106.321 108.800 0.040 0.000 2.205 1616 G HA2 -0.336 3.625 3.960 0.003 0.000 0.261 1616 G HA3 -0.336 3.625 3.960 0.003 0.000 0.261 1616 G C 0.122 175.050 174.900 0.048 0.000 0.980 1616 G CA 0.981 46.102 45.100 0.036 0.000 0.632 1616 G HN 1.950 nan 8.290 nan 0.000 0.533 1617 H N 1.323 120.359 119.070 -0.056 0.000 2.620 1617 H HA 0.459 5.016 4.556 0.003 0.000 0.313 1617 H C -0.360 174.867 175.328 -0.170 0.000 1.075 1617 H CA -0.391 55.608 56.048 -0.082 0.000 1.397 1617 H CB 0.712 30.436 29.762 -0.063 0.000 1.446 1617 H HN 0.121 nan 8.280 nan 0.000 0.493 1618 Q N 5.981 125.433 119.800 -0.579 0.000 2.294 1618 Q HA 0.100 4.441 4.340 0.003 0.000 0.257 1618 Q C 0.977 176.476 176.000 -0.836 0.000 0.955 1618 Q CA -0.265 55.220 55.803 -0.530 0.000 0.936 1618 Q CB 1.573 30.117 28.738 -0.324 0.000 1.188 1618 Q HN 0.750 nan 8.270 nan 0.000 0.420 1619 L N 1.653 122.416 121.223 -0.767 0.000 2.416 1619 L HA 0.088 4.429 4.340 0.003 0.000 0.216 1619 L C 0.811 177.279 176.870 -0.669 0.000 1.098 1619 L CA 0.015 54.231 54.840 -1.039 0.000 0.840 1619 L CB 0.174 41.792 42.059 -0.735 0.000 0.981 1619 L HN 0.359 nan 8.230 nan 0.000 0.462 1620 L N 2.009 122.976 121.223 -0.426 0.000 2.480 1620 L HA 0.195 4.537 4.340 0.003 0.000 0.243 1620 L C 0.276 176.993 176.870 -0.254 0.000 1.315 1620 L CA 0.296 54.909 54.840 -0.378 0.000 1.231 1620 L CB -0.480 41.304 42.059 -0.459 0.000 1.444 1620 L HN 0.111 nan 8.230 nan 0.000 0.409 1621 T N -2.553 112.074 114.554 0.122 0.000 2.896 1621 T HA 0.515 4.866 4.350 0.003 0.000 0.297 1621 T C 0.839 175.867 174.700 0.547 0.000 1.108 1621 T CA -0.022 62.297 62.100 0.366 0.000 1.004 1621 T CB 1.602 70.615 68.868 0.240 0.000 1.159 1621 T HN 0.151 nan 8.240 nan 0.000 0.499 1622 Q N 0.417 120.434 119.800 0.361 0.000 2.152 1622 Q HA -0.035 4.307 4.340 0.003 0.000 0.206 1622 Q C 2.475 178.542 176.000 0.112 0.000 0.985 1622 Q CA 3.075 58.934 55.803 0.094 0.000 0.863 1622 Q CB -1.961 26.773 28.738 -0.006 0.000 0.904 1622 Q HN 1.179 nan 8.270 nan 0.000 0.422 1623 E N 0.398 120.677 120.200 0.131 0.000 2.160 1623 E HA -0.236 4.116 4.350 0.003 0.000 0.195 1623 E C 1.758 178.372 176.600 0.024 0.000 0.991 1623 E CA 1.541 57.966 56.400 0.042 0.000 0.810 1623 E CB -0.844 28.844 29.700 -0.020 0.000 0.742 1623 E HN 0.986 nan 8.360 nan 0.000 0.466 1624 H N -1.280 117.869 119.070 0.132 0.000 2.548 1624 H HA 0.266 4.823 4.556 0.003 0.000 0.268 1624 H C 0.409 175.834 175.328 0.162 0.000 0.975 1624 H CA 0.426 56.570 56.048 0.160 0.000 1.195 1624 H CB 0.553 30.390 29.762 0.126 0.000 1.397 1624 H HN 0.273 nan 8.280 nan 0.000 0.572 1625 V N 2.283 122.343 119.914 0.243 0.000 2.427 1625 V HA -0.025 4.097 4.120 0.003 0.000 0.268 1625 V C 1.175 177.342 176.094 0.122 0.000 1.046 1625 V CA 0.163 62.577 62.300 0.189 0.000 0.970 1625 V CB 0.979 32.873 31.823 0.117 0.000 1.001 1625 V HN 0.416 nan 8.190 nan 0.000 0.476 1626 L N 3.832 125.136 121.223 0.135 0.000 2.095 1626 L HA 0.199 4.541 4.340 0.003 0.000 0.204 1626 L C 1.253 178.180 176.870 0.096 0.000 1.080 1626 L CA 1.084 55.988 54.840 0.105 0.000 0.759 1626 L CB 0.001 42.126 42.059 0.112 0.000 0.914 1626 L HN 0.590 nan 8.230 nan 0.000 0.439 1627 R N -0.496 120.076 120.500 0.119 0.000 2.594 1627 R HA 0.610 4.951 4.340 0.003 0.000 0.265 1627 R C -2.003 174.326 176.300 0.050 0.000 1.070 1627 R CA -0.347 55.805 56.100 0.085 0.000 0.909 1627 R CB 1.937 32.324 30.300 0.144 0.000 1.243 1627 R HN -0.050 nan 8.270 nan 0.000 0.455 1628 A N 3.393 126.187 122.820 -0.045 0.000 2.357 1628 A HA 0.549 4.871 4.320 0.003 0.000 0.295 1628 A C -1.373 176.096 177.584 -0.193 0.000 1.121 1628 A CA -0.551 51.428 52.037 -0.096 0.000 0.742 1628 A CB 1.699 20.655 19.000 -0.073 0.000 1.181 1628 A HN 0.334 nan 8.150 nan 0.000 0.454 1629 V N 2.993 122.689 119.914 -0.363 0.000 2.357 1629 V HA 0.361 4.483 4.120 0.003 0.000 0.284 1629 V C 0.341 176.337 176.094 -0.164 0.000 1.018 1629 V CA 0.053 62.154 62.300 -0.331 0.000 0.841 1629 V CB 1.058 32.518 31.823 -0.606 0.000 0.991 1629 V HN 1.057 nan 8.190 nan 0.000 0.437 1630 D N 3.409 123.761 120.400 -0.080 0.000 2.751 1630 D HA -0.164 4.478 4.640 0.003 0.000 0.233 1630 D C -0.237 176.025 176.300 -0.063 0.000 1.149 1630 D CA 0.754 54.738 54.000 -0.027 0.000 0.682 1630 D CB -0.443 40.386 40.800 0.050 0.000 1.068 1630 D HN 0.300 nan 8.370 nan 0.000 0.429 1631 V N 0.190 120.030 119.914 -0.123 0.000 2.407 1631 V HA 0.775 4.897 4.120 0.003 0.000 0.278 1631 V C 0.898 176.914 176.094 -0.131 0.000 1.037 1631 V CA -0.052 62.117 62.300 -0.218 0.000 0.900 1631 V CB 1.496 33.163 31.823 -0.259 0.000 0.983 1631 V HN 0.370 nan 8.190 nan 0.000 0.459 1632 A N 7.553 130.308 122.820 -0.109 0.000 2.322 1632 A HA 0.962 5.284 4.320 0.003 0.000 0.327 1632 A C -2.719 174.883 177.584 0.031 0.000 1.134 1632 A CA -2.024 49.995 52.037 -0.031 0.000 0.831 1632 A CB 1.389 20.381 19.000 -0.015 0.000 1.288 1632 A HN 0.617 nan 8.150 nan 0.000 0.472 1633 P HA 0.174 nan 4.420 nan 0.000 0.271 1633 P C -0.636 176.762 177.300 0.163 0.000 1.216 1633 P CA 0.049 63.228 63.100 0.132 0.000 0.771 1633 P CB 0.232 31.988 31.700 0.092 0.000 0.864 1634 F N 3.396 123.396 119.950 0.083 0.000 2.538 1634 F HA 0.273 4.802 4.527 0.003 0.000 0.371 1634 F C 0.934 176.784 175.800 0.083 0.000 1.087 1634 F CA 0.260 58.318 58.000 0.096 0.000 1.250 1634 F CB 0.679 39.786 39.000 0.178 0.000 1.110 1634 F HN 0.468 nan 8.300 nan 0.000 0.570 1635 A N 4.833 127.299 122.820 -0.590 0.000 2.011 1635 A HA 0.449 4.770 4.320 0.003 0.000 0.204 1635 A C 1.349 178.478 177.584 -0.758 0.000 1.520 1635 A CA 0.524 52.269 52.037 -0.488 0.000 0.819 1635 A CB -1.178 17.669 19.000 -0.254 0.000 1.087 1635 A HN 0.894 nan 8.150 nan 0.000 0.526 1636 G N 0.000 108.279 108.800 -0.868 0.000 5.446 1636 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 1636 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 1636 G CA 0.000 44.788 45.100 -0.519 0.000 0.502 1636 G HN 0.000 nan 8.290 nan 0.000 0.925