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 3dqv_1_C DATA FIRST_RESID 1401 DATA SEQUENCE ESKCPEELAN YCDXLLRKTP LSKKLTSEEI EAKLKEVLKK LKYVQNKDVF DATA SEQUENCE XRYHKAHLTR RLILDISADS EIEENXVEWL REVGXPADYV NKLARXFQDI DATA SEQUENCE KVSEDLNQAF KEXHKXXXXA LPADSVNIKI LNAGAWSRSS EKVFVSLPTE DATA SEQUENCE LEDLIPEVEE FYKKNHSGRK LHWHHLXSNG IITFKNEVGQ YDLEVTTFQL DATA SEQUENCE AVLFAWNQRP REKISFENLK LATELPDAEL RRTLWSLVAF PKLKRQVLLY DATA SEQUENCE EPQVNSPKDF TEGTLFSVNQ EFSLIKNAKV QKRGKINLIG RLQLTTERXR DATA SEQUENCE EEENEGIVQL RILRTQEAII QIXKXRKKIS NAQLQTELVE ILKNXFLPQK DATA SEQUENCE KXIKEQIEWL IEHKYIRRDE SDINTFIYXA 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 1401 E HA 0.000 nan 4.350 nan 0.000 0.291 1401 E C 0.000 176.539 176.600 -0.101 0.000 1.382 1401 E CA 0.000 56.346 56.400 -0.091 0.000 0.976 1401 E CB 0.000 29.655 29.700 -0.075 0.000 0.812 1402 S N 1.165 116.817 115.700 -0.079 0.000 2.911 1402 S HA -0.085 4.384 4.470 -0.002 0.000 0.837 1402 S C 0.130 174.713 174.600 -0.030 0.000 0.825 1402 S CA 0.795 58.955 58.200 -0.067 0.000 1.489 1402 S CB -0.258 62.871 63.200 -0.118 0.000 1.063 1402 S HN 0.594 nan 8.310 nan 0.000 0.469 1403 K N 0.716 121.113 120.400 -0.005 0.000 2.262 1403 K HA 0.309 4.628 4.320 -0.002 0.000 0.200 1403 K C 0.945 177.564 176.600 0.033 0.000 1.058 1403 K CA 0.716 57.017 56.287 0.023 0.000 0.974 1403 K CB -0.391 32.129 32.500 0.034 0.000 0.910 1403 K HN 0.634 nan 8.250 nan 0.000 0.484 1404 C N 3.760 123.072 119.300 0.021 0.000 2.517 1404 C HA 0.148 4.607 4.460 -0.002 0.000 0.403 1404 C C -1.250 173.769 174.990 0.049 0.000 1.467 1404 C CA -1.453 57.577 59.018 0.021 0.000 1.542 1404 C CB 0.108 27.847 27.740 -0.002 0.000 2.482 1404 C HN 0.469 nan 8.230 nan 0.000 0.610 1405 P HA -0.119 nan 4.420 nan 0.000 0.223 1405 P C 1.179 178.593 177.300 0.189 0.000 1.144 1405 P CA 1.260 64.442 63.100 0.138 0.000 0.783 1405 P CB 0.093 31.868 31.700 0.125 0.000 0.771 1406 E N 0.019 120.240 120.200 0.035 0.000 2.079 1406 E HA -0.095 4.254 4.350 -0.002 0.000 0.191 1406 E C 1.678 178.265 176.600 -0.022 0.000 0.961 1406 E CA 0.375 56.695 56.400 -0.133 0.000 0.823 1406 E CB -0.190 29.234 29.700 -0.459 0.000 0.789 1406 E HN 0.144 nan 8.360 nan 0.000 0.459 1407 E N 0.861 121.059 120.200 -0.003 0.000 2.171 1407 E HA -0.214 4.135 4.350 -0.002 0.000 0.197 1407 E C 2.232 178.918 176.600 0.144 0.000 0.997 1407 E CA 0.921 57.353 56.400 0.052 0.000 0.810 1407 E CB -0.069 29.647 29.700 0.027 0.000 0.738 1407 E HN 0.348 nan 8.360 nan 0.000 0.467 1408 L N 0.370 121.700 121.223 0.178 0.000 2.056 1408 L HA -0.166 4.173 4.340 -0.002 0.000 0.207 1408 L C 2.571 179.741 176.870 0.500 0.000 1.078 1408 L CA 1.013 56.011 54.840 0.262 0.000 0.749 1408 L CB -0.388 41.786 42.059 0.192 0.000 0.901 1408 L HN 0.152 nan 8.230 nan 0.000 0.433 1409 A N -0.447 122.699 122.820 0.543 0.000 1.969 1409 A HA -0.204 4.115 4.320 -0.002 0.000 0.218 1409 A C 2.065 179.863 177.584 0.356 0.000 1.169 1409 A CA 1.562 53.848 52.037 0.415 0.000 0.635 1409 A CB -0.551 18.529 19.000 0.133 0.000 0.810 1409 A HN 0.414 nan 8.150 nan 0.000 0.445 1410 N N -1.776 117.094 118.700 0.284 0.000 2.459 1410 N HA -0.110 4.629 4.740 -0.002 0.000 0.181 1410 N C 1.291 176.883 175.510 0.137 0.000 1.046 1410 N CA 0.854 54.017 53.050 0.187 0.000 0.904 1410 N CB -0.229 38.358 38.487 0.168 0.000 0.964 1410 N HN 0.597 nan 8.380 nan 0.000 0.444 1411 Y N 0.485 120.843 120.300 0.097 0.000 2.314 1411 Y HA -0.015 4.534 4.550 -0.002 0.000 0.294 1411 Y C 2.483 178.434 175.900 0.084 0.000 1.119 1411 Y CA 0.835 58.979 58.100 0.074 0.000 1.179 1411 Y CB -0.392 38.118 38.460 0.084 0.000 1.025 1411 Y HN 0.073 nan 8.280 nan 0.000 0.541 1412 C N 0.191 119.633 119.300 0.236 0.000 2.425 1412 C HA -0.127 4.332 4.460 -0.002 0.000 0.277 1412 C C 1.450 176.483 174.990 0.071 0.000 1.280 1412 C CA 0.678 59.813 59.018 0.194 0.000 1.744 1412 C CB -1.344 26.608 27.740 0.353 0.000 1.989 1412 C HN 0.578 nan 8.230 nan 0.000 0.491 1416 L N 0.805 122.028 121.223 -0.001 0.000 2.418 1416 L HA 0.093 4.432 4.340 -0.002 0.000 0.218 1416 L C 1.329 178.215 176.870 0.026 0.000 1.125 1416 L CA 0.698 55.565 54.840 0.045 0.000 0.835 1416 L CB 0.005 42.121 42.059 0.096 0.000 0.953 1416 L HN 0.172 nan 8.230 nan 0.000 0.454 1417 R N 0.770 121.265 120.500 -0.008 0.000 2.643 1417 R HA 0.235 4.574 4.340 -0.002 0.000 0.272 1417 R C -0.300 175.996 176.300 -0.007 0.000 0.995 1417 R CA -0.684 55.413 56.100 -0.005 0.000 1.032 1417 R CB 0.897 31.183 30.300 -0.023 0.000 1.126 1417 R HN -0.106 nan 8.270 nan 0.000 0.505 1418 K N 2.104 122.508 120.400 0.007 0.000 2.079 1418 K HA 0.030 4.349 4.320 -0.002 0.000 0.255 1418 K C -0.305 176.297 176.600 0.004 0.000 1.114 1418 K CA 0.291 56.584 56.287 0.009 0.000 1.056 1418 K CB 0.496 33.008 32.500 0.020 0.000 1.176 1418 K HN 0.424 nan 8.250 nan 0.000 0.353 1419 T N 1.015 115.564 114.554 -0.009 0.000 2.858 1419 T HA 0.318 4.667 4.350 -0.002 0.000 0.285 1419 T C -1.849 172.844 174.700 -0.011 0.000 1.052 1419 T CA -2.323 59.770 62.100 -0.013 0.000 1.009 1419 T CB 1.145 69.994 68.868 -0.033 0.000 1.241 1419 T HN 0.052 nan 8.240 nan 0.000 0.542 1420 P HA -0.000 nan 4.420 nan 0.000 0.214 1420 P C 1.663 178.957 177.300 -0.011 0.000 1.162 1420 P CA 0.546 63.643 63.100 -0.005 0.000 0.879 1420 P CB -0.026 31.674 31.700 -0.000 0.000 0.786 1421 L N 0.152 121.360 121.223 -0.025 0.000 2.051 1421 L HA -0.228 4.111 4.340 -0.002 0.000 0.214 1421 L C 2.141 178.988 176.870 -0.038 0.000 1.076 1421 L CA 2.511 57.329 54.840 -0.037 0.000 0.758 1421 L CB -1.230 40.781 42.059 -0.080 0.000 0.890 1421 L HN 0.025 nan 8.230 nan 0.000 0.433 1422 S N -2.051 113.625 115.700 -0.041 0.000 2.496 1422 S HA -0.131 4.338 4.470 -0.002 0.000 0.224 1422 S C 1.967 176.563 174.600 -0.006 0.000 0.996 1422 S CA 0.745 58.928 58.200 -0.027 0.000 0.927 1422 S CB -0.332 62.850 63.200 -0.029 0.000 0.774 1422 S HN 0.562 nan 8.310 nan 0.000 0.524 1423 K N 1.478 121.876 120.400 -0.003 0.000 2.323 1423 K HA 0.193 4.512 4.320 -0.002 0.000 0.197 1423 K C 0.917 177.521 176.600 0.006 0.000 1.043 1423 K CA 0.232 56.522 56.287 0.005 0.000 0.997 1423 K CB 0.086 32.590 32.500 0.008 0.000 0.807 1423 K HN 0.224 nan 8.250 nan 0.000 0.497 1424 K N 1.195 121.597 120.400 0.004 0.000 2.627 1424 K HA 0.194 4.513 4.320 -0.002 0.000 0.212 1424 K C -0.220 176.385 176.600 0.007 0.000 1.041 1424 K CA 0.058 56.349 56.287 0.006 0.000 1.205 1424 K CB 0.190 32.694 32.500 0.006 0.000 0.936 1424 K HN 0.092 nan 8.250 nan 0.000 0.489 1425 L N -1.312 119.915 121.223 0.007 0.000 2.461 1425 L HA 0.420 4.759 4.340 -0.002 0.000 0.242 1425 L C -0.425 176.452 176.870 0.012 0.000 1.143 1425 L CA -1.074 53.772 54.840 0.009 0.000 0.984 1425 L CB 2.200 44.263 42.059 0.007 0.000 1.573 1425 L HN -0.002 nan 8.230 nan 0.000 0.404 1426 T N -4.054 110.508 114.554 0.014 0.000 2.900 1426 T HA 0.279 4.628 4.350 -0.002 0.000 0.303 1426 T C 0.424 175.138 174.700 0.023 0.000 1.142 1426 T CA -0.395 61.716 62.100 0.018 0.000 1.007 1426 T CB 1.688 70.565 68.868 0.016 0.000 1.156 1426 T HN 0.410 nan 8.240 nan 0.000 0.490 1427 S N 0.779 116.497 115.700 0.030 0.000 2.413 1427 S HA -0.216 4.253 4.470 -0.002 0.000 0.237 1427 S C 1.735 176.358 174.600 0.037 0.000 1.044 1427 S CA 2.057 60.283 58.200 0.043 0.000 1.024 1427 S CB -0.488 62.742 63.200 0.050 0.000 0.829 1427 S HN 0.836 nan 8.310 nan 0.000 0.475 1428 E N 1.149 121.362 120.200 0.023 0.000 2.015 1428 E HA -0.083 4.266 4.350 -0.002 0.000 0.191 1428 E C 2.183 178.781 176.600 -0.003 0.000 0.991 1428 E CA 1.213 57.618 56.400 0.009 0.000 0.802 1428 E CB -0.325 29.378 29.700 0.006 0.000 0.759 1428 E HN 0.581 nan 8.360 nan 0.000 0.447 1429 E N 0.419 120.621 120.200 0.004 0.000 2.033 1429 E HA -0.212 4.137 4.350 -0.002 0.000 0.199 1429 E C 2.210 178.813 176.600 0.006 0.000 1.011 1429 E CA 1.379 57.781 56.400 0.004 0.000 0.815 1429 E CB -0.333 29.373 29.700 0.011 0.000 0.755 1429 E HN 0.208 nan 8.360 nan 0.000 0.451 1430 I N 1.067 121.646 120.570 0.014 0.000 2.087 1430 I HA -0.352 3.817 4.170 -0.002 0.000 0.240 1430 I C 2.710 178.838 176.117 0.017 0.000 1.054 1430 I CA 1.604 62.917 61.300 0.021 0.000 1.311 1430 I CB -0.476 37.543 38.000 0.033 0.000 1.024 1430 I HN 0.185 nan 8.210 nan 0.000 0.402 1431 E N 0.776 120.983 120.200 0.012 0.000 2.187 1431 E HA -0.281 4.068 4.350 -0.002 0.000 0.199 1431 E C 2.129 178.638 176.600 -0.150 0.000 1.004 1431 E CA 1.470 57.838 56.400 -0.054 0.000 0.813 1431 E CB -0.003 29.671 29.700 -0.044 0.000 0.736 1431 E HN 0.548 nan 8.360 nan 0.000 0.468 1432 A N 0.933 123.700 122.820 -0.089 0.000 1.840 1432 A HA -0.111 4.208 4.320 -0.002 0.000 0.214 1432 A C 2.016 179.570 177.584 -0.050 0.000 1.198 1432 A CA 1.296 53.279 52.037 -0.090 0.000 0.608 1432 A CB -0.311 18.658 19.000 -0.053 0.000 0.839 1432 A HN 0.080 nan 8.150 nan 0.000 0.443 1433 K N -0.691 119.712 120.400 0.004 0.000 2.519 1433 K HA 0.041 4.360 4.320 -0.002 0.000 0.196 1433 K C 1.488 178.145 176.600 0.096 0.000 1.041 1433 K CA 0.514 56.842 56.287 0.069 0.000 0.954 1433 K CB -0.220 32.350 32.500 0.117 0.000 0.774 1433 K HN 0.480 nan 8.250 nan 0.000 0.480 1434 L N -0.212 121.032 121.223 0.035 0.000 2.269 1434 L HA -0.056 4.283 4.340 -0.002 0.000 0.200 1434 L C 2.080 178.940 176.870 -0.016 0.000 1.069 1434 L CA 0.400 55.273 54.840 0.056 0.000 0.804 1434 L CB -0.104 41.999 42.059 0.073 0.000 0.987 1434 L HN -0.069 nan 8.230 nan 0.000 0.468 1435 K N 0.818 121.134 120.400 -0.140 0.000 2.127 1435 K HA -0.258 4.061 4.320 -0.002 0.000 0.208 1435 K C 1.807 178.342 176.600 -0.108 0.000 1.047 1435 K CA 2.059 58.218 56.287 -0.213 0.000 0.927 1435 K CB -0.277 32.030 32.500 -0.322 0.000 0.716 1435 K HN 0.573 nan 8.250 nan 0.000 0.450 1436 E N 0.446 120.607 120.200 -0.066 0.000 2.058 1436 E HA -0.152 4.196 4.350 -0.002 0.000 0.194 1436 E C 1.966 178.546 176.600 -0.033 0.000 0.997 1436 E CA 1.574 57.949 56.400 -0.042 0.000 0.801 1436 E CB -0.573 29.113 29.700 -0.024 0.000 0.746 1436 E HN -0.040 nan 8.360 nan 0.000 0.450 1437 V N 1.883 121.789 119.914 -0.012 0.000 2.237 1437 V HA -0.264 3.855 4.120 -0.002 0.000 0.245 1437 V C 2.618 178.660 176.094 -0.087 0.000 1.046 1437 V CA 1.884 64.166 62.300 -0.031 0.000 1.007 1437 V CB -0.764 31.080 31.823 0.034 0.000 0.638 1437 V HN 0.298 nan 8.190 nan 0.000 0.445 1438 L N -0.090 121.087 121.223 -0.076 0.000 2.197 1438 L HA -0.260 4.079 4.340 -0.002 0.000 0.215 1438 L C 2.555 179.386 176.870 -0.064 0.000 1.095 1438 L CA 1.717 56.500 54.840 -0.096 0.000 0.764 1438 L CB -0.675 41.377 42.059 -0.012 0.000 0.897 1438 L HN 0.336 nan 8.230 nan 0.000 0.436 1439 K N 1.009 121.389 120.400 -0.033 0.000 2.062 1439 K HA -0.130 4.189 4.320 -0.002 0.000 0.205 1439 K C 1.942 178.586 176.600 0.075 0.000 1.051 1439 K CA 1.375 57.669 56.287 0.012 0.000 0.941 1439 K CB 0.022 32.528 32.500 0.009 0.000 0.719 1439 K HN 0.160 nan 8.250 nan 0.000 0.440 1440 K N 0.389 120.816 120.400 0.045 0.000 2.362 1440 K HA -0.023 4.296 4.320 -0.002 0.000 0.200 1440 K C 1.829 178.493 176.600 0.107 0.000 1.046 1440 K CA 0.826 57.178 56.287 0.109 0.000 0.952 1440 K CB -0.085 32.419 32.500 0.005 0.000 0.753 1440 K HN 0.138 nan 8.250 nan 0.000 0.466 1441 L N 1.253 122.453 121.223 -0.038 0.000 2.191 1441 L HA -0.153 4.186 4.340 -0.002 0.000 0.212 1441 L C 2.426 179.273 176.870 -0.040 0.000 1.103 1441 L CA 1.045 55.824 54.840 -0.102 0.000 0.769 1441 L CB -0.349 41.563 42.059 -0.244 0.000 0.908 1441 L HN 0.183 nan 8.230 nan 0.000 0.438 1442 K N 0.043 120.409 120.400 -0.057 0.000 2.442 1442 K HA -0.172 4.147 4.320 -0.002 0.000 0.198 1442 K C 0.148 176.529 176.600 -0.364 0.000 1.044 1442 K CA 1.089 57.240 56.287 -0.226 0.000 0.948 1442 K CB 0.111 32.405 32.500 -0.344 0.000 0.762 1442 K HN 0.283 nan 8.250 nan 0.000 0.472 1443 Y N -0.152 120.164 120.300 0.027 0.000 2.669 1443 Y HA 0.258 4.807 4.550 -0.002 0.000 0.302 1443 Y C -0.988 174.982 175.900 0.117 0.000 1.000 1443 Y CA -0.782 57.367 58.100 0.082 0.000 1.222 1443 Y CB 1.136 39.630 38.460 0.057 0.000 1.209 1443 Y HN -0.293 nan 8.280 nan 0.000 0.571 1444 V N 0.825 120.843 119.914 0.174 0.000 2.447 1444 V HA 0.127 4.245 4.120 -0.002 0.000 0.292 1444 V C 0.514 176.672 176.094 0.107 0.000 1.021 1444 V CA -1.099 61.284 62.300 0.138 0.000 0.850 1444 V CB 1.642 33.511 31.823 0.077 0.000 1.005 1444 V HN 0.314 nan 8.190 nan 0.000 0.426 1445 Q N 3.238 123.093 119.800 0.091 0.000 2.143 1445 Q HA -0.246 4.093 4.340 -0.002 0.000 0.261 1445 Q C 0.707 176.716 176.000 0.015 0.000 1.076 1445 Q CA 2.372 58.178 55.803 0.005 0.000 0.929 1445 Q CB -0.461 28.235 28.738 -0.069 0.000 1.005 1445 Q HN 0.988 nan 8.270 nan 0.000 0.477 1446 N N 0.473 119.181 118.700 0.013 0.000 2.626 1446 N HA 0.213 4.952 4.740 -0.002 0.000 0.242 1446 N C -0.092 175.448 175.510 0.051 0.000 1.005 1446 N CA -0.188 52.873 53.050 0.019 0.000 0.905 1446 N CB 1.113 39.598 38.487 -0.004 0.000 1.128 1446 N HN 0.116 nan 8.380 nan 0.000 0.512 1447 K N 0.706 121.141 120.400 0.059 0.000 2.304 1447 K HA -0.254 4.065 4.320 -0.002 0.000 0.204 1447 K C 1.430 178.103 176.600 0.120 0.000 1.044 1447 K CA 1.936 58.283 56.287 0.101 0.000 0.932 1447 K CB 0.060 32.604 32.500 0.074 0.000 0.735 1447 K HN 0.659 nan 8.250 nan 0.000 0.468 1448 D N 0.583 121.008 120.400 0.040 0.000 2.123 1448 D HA -0.170 4.469 4.640 -0.002 0.000 0.196 1448 D C 1.717 178.032 176.300 0.025 0.000 0.992 1448 D CA 1.349 55.337 54.000 -0.021 0.000 0.833 1448 D CB -0.373 40.398 40.800 -0.049 0.000 0.954 1448 D HN 0.068 nan 8.370 nan 0.000 0.455 1449 V N 0.480 120.450 119.914 0.092 0.000 2.469 1449 V HA -0.133 3.986 4.120 -0.002 0.000 0.251 1449 V C 1.610 177.855 176.094 0.252 0.000 1.064 1449 V CA 0.947 63.346 62.300 0.165 0.000 1.066 1449 V CB -1.013 30.913 31.823 0.171 0.000 0.667 1449 V HN 0.161 nan 8.190 nan 0.000 0.461 1453 Y N 0.938 121.150 120.300 -0.146 0.000 2.574 1453 Y HA -0.115 4.434 4.550 -0.002 0.000 0.294 1453 Y C 2.147 177.920 175.900 -0.213 0.000 1.142 1453 Y CA 1.929 59.906 58.100 -0.205 0.000 1.314 1453 Y CB -0.155 38.233 38.460 -0.119 0.000 0.991 1453 Y HN 0.414 nan 8.280 nan 0.000 0.555 1454 H N 0.001 118.976 119.070 -0.160 0.000 2.344 1454 H HA -0.018 4.537 4.556 -0.002 0.000 0.307 1454 H C 2.291 177.600 175.328 -0.030 0.000 1.057 1454 H CA 1.691 57.658 56.048 -0.134 0.000 1.373 1454 H CB -0.004 29.525 29.762 -0.388 0.000 1.421 1454 H HN 0.084 nan 8.280 nan 0.000 0.532 1455 K N 0.196 120.519 120.400 -0.129 0.000 2.044 1455 K HA -0.192 4.127 4.320 -0.002 0.000 0.210 1455 K C 2.275 178.730 176.600 -0.243 0.000 1.049 1455 K CA 1.415 57.593 56.287 -0.182 0.000 0.927 1455 K CB -0.402 32.105 32.500 0.013 0.000 0.713 1455 K HN 0.349 nan 8.250 nan 0.000 0.443 1456 A N 1.260 123.950 122.820 -0.218 0.000 1.873 1456 A HA -0.250 4.069 4.320 -0.002 0.000 0.218 1456 A C 1.997 179.473 177.584 -0.179 0.000 1.193 1456 A CA 1.945 53.846 52.037 -0.226 0.000 0.629 1456 A CB -1.057 17.753 19.000 -0.317 0.000 0.826 1456 A HN 0.444 nan 8.150 nan 0.000 0.447 1457 H N -1.060 117.924 119.070 -0.142 0.000 2.319 1457 H HA -0.129 4.427 4.556 -0.002 0.000 0.299 1457 H C 2.126 177.352 175.328 -0.170 0.000 1.092 1457 H CA 1.816 57.793 56.048 -0.119 0.000 1.302 1457 H CB -0.778 28.931 29.762 -0.088 0.000 1.373 1457 H HN 0.407 nan 8.280 nan 0.000 0.497 1458 L N 0.656 121.772 121.223 -0.179 0.000 1.990 1458 L HA -0.211 4.128 4.340 -0.002 0.000 0.213 1458 L C 2.386 179.142 176.870 -0.189 0.000 1.072 1458 L CA 2.129 56.822 54.840 -0.244 0.000 0.755 1458 L CB -0.953 40.856 42.059 -0.417 0.000 0.889 1458 L HN 0.215 nan 8.230 nan 0.000 0.432 1459 T N -0.813 113.618 114.554 -0.206 0.000 2.653 1459 T HA -0.300 4.049 4.350 -0.002 0.000 0.268 1459 T C 2.000 176.724 174.700 0.040 0.000 1.035 1459 T CA 1.877 63.941 62.100 -0.061 0.000 1.154 1459 T CB -0.323 68.529 68.868 -0.025 0.000 0.862 1459 T HN 0.193 nan 8.240 nan 0.000 0.441 1460 R N 0.800 121.306 120.500 0.010 0.000 2.080 1460 R HA 0.065 4.404 4.340 -0.002 0.000 0.236 1460 R C 2.678 178.997 176.300 0.032 0.000 1.137 1460 R CA 1.466 57.585 56.100 0.032 0.000 0.943 1460 R CB -0.401 29.936 30.300 0.062 0.000 0.846 1460 R HN 0.401 nan 8.270 nan 0.000 0.431 1461 R N -0.083 120.429 120.500 0.020 0.000 2.070 1461 R HA -0.066 4.273 4.340 -0.002 0.000 0.233 1461 R C 2.365 178.679 176.300 0.023 0.000 1.137 1461 R CA 1.504 57.616 56.100 0.020 0.000 0.945 1461 R CB -0.624 29.683 30.300 0.012 0.000 0.845 1461 R HN 0.184 nan 8.270 nan 0.000 0.430 1462 L N 0.547 121.775 121.223 0.008 0.000 1.971 1462 L HA -0.267 4.072 4.340 -0.002 0.000 0.215 1462 L C 2.501 179.419 176.870 0.081 0.000 1.072 1462 L CA 1.196 56.062 54.840 0.043 0.000 0.758 1462 L CB -0.537 41.555 42.059 0.056 0.000 0.889 1462 L HN 0.202 nan 8.230 nan 0.000 0.433 1463 I N 0.187 120.813 120.570 0.094 0.000 2.058 1463 I HA -0.302 3.867 4.170 -0.002 0.000 0.235 1463 I C 2.364 178.479 176.117 -0.004 0.000 1.053 1463 I CA 1.794 63.097 61.300 0.006 0.000 1.313 1463 I CB -0.978 37.008 38.000 -0.023 0.000 1.039 1463 I HN 0.258 nan 8.210 nan 0.000 0.396 1464 L N 1.600 122.829 121.223 0.009 0.000 2.633 1464 L HA -0.119 4.220 4.340 -0.002 0.000 0.235 1464 L C 0.507 177.390 176.870 0.022 0.000 1.163 1464 L CA 0.462 55.309 54.840 0.013 0.000 0.859 1464 L CB -1.041 41.031 42.059 0.021 0.000 0.973 1464 L HN 0.497 nan 8.230 nan 0.000 0.451 1465 D N 0.954 121.369 120.400 0.025 0.000 2.733 1465 D HA -0.271 4.368 4.640 -0.002 0.000 0.232 1465 D C 0.376 176.698 176.300 0.037 0.000 1.161 1465 D CA 1.061 55.081 54.000 0.034 0.000 0.653 1465 D CB -1.633 39.185 40.800 0.031 0.000 1.052 1465 D HN 0.711 nan 8.370 nan 0.000 0.424 1466 I N -3.494 117.098 120.570 0.036 0.000 3.626 1466 I HA 0.297 4.466 4.170 -0.002 0.000 0.345 1466 I C 0.216 176.356 176.117 0.038 0.000 1.502 1466 I CA -0.830 60.492 61.300 0.036 0.000 1.135 1466 I CB 0.748 38.769 38.000 0.035 0.000 1.456 1466 I HN 0.011 nan 8.210 nan 0.000 0.460 1467 S N 1.157 116.885 115.700 0.046 0.000 2.545 1467 S HA 0.622 5.091 4.470 -0.002 0.000 0.275 1467 S C 1.306 175.936 174.600 0.050 0.000 1.299 1467 S CA 0.215 58.448 58.200 0.054 0.000 1.048 1467 S CB 1.570 64.818 63.200 0.080 0.000 0.938 1467 S HN 0.610 nan 8.310 nan 0.000 0.496 1468 A N 3.435 126.282 122.820 0.044 0.000 1.854 1468 A HA 0.080 4.399 4.320 -0.002 0.000 0.214 1468 A C 0.963 178.574 177.584 0.045 0.000 1.192 1468 A CA 0.927 52.987 52.037 0.038 0.000 0.611 1468 A CB -0.239 18.778 19.000 0.028 0.000 0.832 1468 A HN 0.787 nan 8.150 nan 0.000 0.442 1469 D N -0.290 120.143 120.400 0.055 0.000 2.472 1469 D HA 0.306 4.945 4.640 -0.002 0.000 0.234 1469 D C 0.900 177.237 176.300 0.063 0.000 1.088 1469 D CA 0.465 54.499 54.000 0.057 0.000 0.882 1469 D CB 1.049 41.887 40.800 0.063 0.000 1.037 1469 D HN 0.247 nan 8.370 nan 0.000 0.520 1470 S N 2.773 118.508 115.700 0.058 0.000 2.419 1470 S HA -0.252 4.217 4.470 -0.002 0.000 0.235 1470 S C 1.612 176.226 174.600 0.025 0.000 1.019 1470 S CA 0.982 59.221 58.200 0.065 0.000 0.982 1470 S CB 0.064 63.301 63.200 0.061 0.000 0.789 1470 S HN 0.565 nan 8.310 nan 0.000 0.490 1471 E N 2.051 122.256 120.200 0.008 0.000 2.028 1471 E HA -0.045 4.304 4.350 -0.002 0.000 0.190 1471 E C 1.845 178.400 176.600 -0.075 0.000 0.984 1471 E CA 1.234 57.614 56.400 -0.033 0.000 0.800 1471 E CB -0.574 29.125 29.700 -0.002 0.000 0.758 1471 E HN 0.581 nan 8.360 nan 0.000 0.448 1472 I N 0.540 121.108 120.570 -0.002 0.000 2.099 1472 I HA -0.272 3.897 4.170 -0.002 0.000 0.239 1472 I C 2.524 178.607 176.117 -0.057 0.000 1.066 1472 I CA 1.632 62.947 61.300 0.025 0.000 1.324 1472 I CB -0.539 37.553 38.000 0.153 0.000 1.037 1472 I HN 0.227 nan 8.210 nan 0.000 0.401 1473 E N 1.222 121.434 120.200 0.021 0.000 2.172 1473 E HA -0.299 4.050 4.350 -0.002 0.000 0.213 1473 E C 1.863 178.313 176.600 -0.250 0.000 1.051 1473 E CA 2.180 58.632 56.400 0.086 0.000 0.860 1473 E CB -0.093 29.763 29.700 0.259 0.000 0.755 1473 E HN 0.531 nan 8.360 nan 0.000 0.462 1474 E N -0.009 119.875 120.200 -0.527 0.000 2.001 1474 E HA -0.095 4.254 4.350 -0.002 0.000 0.193 1474 E C 0.909 177.113 176.600 -0.659 0.000 0.994 1474 E CA 0.639 56.477 56.400 -0.937 0.000 0.815 1474 E CB -0.350 28.984 29.700 -0.609 0.000 0.770 1474 E HN 0.215 nan 8.360 nan 0.000 0.453 1478 E N 0.685 120.699 120.200 -0.310 0.000 2.085 1478 E HA -0.166 4.183 4.350 -0.002 0.000 0.194 1478 E C 1.829 178.385 176.600 -0.073 0.000 0.994 1478 E CA 2.122 58.383 56.400 -0.231 0.000 0.801 1478 E CB -0.207 29.298 29.700 -0.325 0.000 0.743 1478 E HN 0.708 nan 8.360 nan 0.000 0.453 1479 W N -0.172 121.117 121.300 -0.018 0.000 2.364 1479 W HA -0.083 4.576 4.660 -0.002 0.000 0.281 1479 W C 1.928 178.450 176.519 0.005 0.000 1.219 1479 W CA 0.379 57.721 57.345 -0.006 0.000 1.220 1479 W CB -0.995 28.463 29.460 -0.003 0.000 1.127 1479 W HN 0.179 nan 8.180 nan 0.000 0.556 1480 L N 0.679 122.018 121.223 0.193 0.000 2.179 1480 L HA -0.028 4.311 4.340 -0.002 0.000 0.208 1480 L C 2.622 179.560 176.870 0.113 0.000 1.096 1480 L CA 1.712 56.638 54.840 0.143 0.000 0.779 1480 L CB -0.763 41.355 42.059 0.098 0.000 0.922 1480 L HN -0.121 nan 8.230 nan 0.000 0.443 1481 R N -0.666 119.876 120.500 0.071 0.000 2.080 1481 R HA -0.086 4.253 4.340 -0.002 0.000 0.222 1481 R C 2.049 178.392 176.300 0.071 0.000 1.107 1481 R CA 1.138 57.274 56.100 0.059 0.000 0.980 1481 R CB -0.094 30.215 30.300 0.015 0.000 0.879 1481 R HN 0.403 nan 8.270 nan 0.000 0.439 1482 E N 0.080 120.333 120.200 0.088 0.000 2.049 1482 E HA -0.201 4.148 4.350 -0.002 0.000 0.198 1482 E C 1.869 178.516 176.600 0.079 0.000 1.007 1482 E CA 1.870 58.326 56.400 0.095 0.000 0.809 1482 E CB -0.075 29.718 29.700 0.154 0.000 0.749 1482 E HN 0.137 nan 8.360 nan 0.000 0.450 1483 V N -0.049 119.918 119.914 0.089 0.000 2.688 1483 V HA -0.127 3.992 4.120 -0.002 0.000 0.256 1483 V C 1.056 177.175 176.094 0.042 0.000 1.084 1483 V CA 1.333 63.666 62.300 0.056 0.000 1.103 1483 V CB -0.989 30.865 31.823 0.051 0.000 0.688 1483 V HN 0.533 nan 8.190 nan 0.000 0.480 1487 A N 0.505 123.384 122.820 0.098 0.000 1.823 1487 A HA -0.056 4.263 4.320 -0.002 0.000 0.214 1487 A C 1.538 179.176 177.584 0.091 0.000 1.225 1487 A CA 2.194 54.278 52.037 0.078 0.000 0.604 1487 A CB -1.381 17.650 19.000 0.052 0.000 0.878 1487 A HN 0.867 nan 8.150 nan 0.000 0.450 1488 D N -2.330 118.122 120.400 0.087 0.000 2.322 1488 D HA -0.263 4.376 4.640 -0.002 0.000 0.210 1488 D C 1.451 177.836 176.300 0.142 0.000 0.983 1488 D CA 1.669 55.721 54.000 0.086 0.000 0.902 1488 D CB -0.275 40.566 40.800 0.068 0.000 0.905 1488 D HN 0.510 nan 8.370 nan 0.000 0.483 1489 Y N 1.361 121.670 120.300 0.014 0.000 2.138 1489 Y HA -0.041 4.508 4.550 -0.002 0.000 0.286 1489 Y C 2.277 178.190 175.900 0.022 0.000 1.115 1489 Y CA 0.881 58.991 58.100 0.017 0.000 1.105 1489 Y CB -0.690 37.793 38.460 0.038 0.000 1.004 1489 Y HN -0.066 nan 8.280 nan 0.000 0.494 1490 V N 2.319 122.212 119.914 -0.034 0.000 2.217 1490 V HA -0.472 3.647 4.120 -0.002 0.000 0.248 1490 V C 2.257 178.290 176.094 -0.102 0.000 1.050 1490 V CA 2.740 64.958 62.300 -0.137 0.000 1.007 1490 V CB -1.519 30.284 31.823 -0.032 0.000 0.639 1490 V HN 0.658 nan 8.190 nan 0.000 0.452 1491 N N 1.158 119.835 118.700 -0.038 0.000 2.258 1491 N HA -0.270 4.469 4.740 -0.002 0.000 0.187 1491 N C 1.567 177.057 175.510 -0.033 0.000 1.012 1491 N CA 2.153 55.187 53.050 -0.026 0.000 0.870 1491 N CB -0.633 37.851 38.487 -0.006 0.000 0.977 1491 N HN 0.626 nan 8.380 nan 0.000 0.434 1492 K N 0.409 120.782 120.400 -0.045 0.000 2.057 1492 K HA 0.023 4.342 4.320 -0.002 0.000 0.207 1492 K C 1.933 178.447 176.600 -0.144 0.000 1.049 1492 K CA 0.974 57.225 56.287 -0.061 0.000 0.931 1492 K CB -0.118 32.374 32.500 -0.013 0.000 0.714 1492 K HN 0.208 nan 8.250 nan 0.000 0.440 1493 L N 0.322 121.427 121.223 -0.196 0.000 2.056 1493 L HA -0.134 4.205 4.340 -0.002 0.000 0.207 1493 L C 2.594 179.445 176.870 -0.031 0.000 1.078 1493 L CA 1.180 55.882 54.840 -0.230 0.000 0.749 1493 L CB -0.570 41.368 42.059 -0.201 0.000 0.901 1493 L HN 0.245 nan 8.230 nan 0.000 0.433 1494 A N -0.032 122.832 122.820 0.074 0.000 1.908 1494 A HA -0.202 4.117 4.320 -0.002 0.000 0.218 1494 A C 1.721 179.396 177.584 0.152 0.000 1.181 1494 A CA 1.020 53.172 52.037 0.192 0.000 0.627 1494 A CB -0.436 18.585 19.000 0.034 0.000 0.818 1494 A HN 0.276 nan 8.150 nan 0.000 0.445 1498 Q N 1.120 121.048 119.800 0.213 0.000 2.170 1498 Q HA -0.149 4.190 4.340 -0.002 0.000 0.203 1498 Q C 0.684 176.753 176.000 0.114 0.000 0.976 1498 Q CA 1.857 57.741 55.803 0.136 0.000 0.858 1498 Q CB -0.175 28.621 28.738 0.097 0.000 0.907 1498 Q HN 0.427 nan 8.270 nan 0.000 0.433 1499 D N 0.767 121.253 120.400 0.143 0.000 2.149 1499 D HA -0.024 4.615 4.640 -0.002 0.000 0.201 1499 D C 1.933 178.270 176.300 0.063 0.000 0.972 1499 D CA 0.602 54.664 54.000 0.103 0.000 0.835 1499 D CB -0.090 40.801 40.800 0.152 0.000 0.966 1499 D HN 0.231 nan 8.370 nan 0.000 0.476 1500 I N 0.782 121.413 120.570 0.101 0.000 2.493 1500 I HA -0.213 3.956 4.170 -0.002 0.000 0.254 1500 I C 2.094 178.249 176.117 0.063 0.000 1.160 1500 I CA 0.969 62.307 61.300 0.063 0.000 1.445 1500 I CB -0.016 38.037 38.000 0.089 0.000 1.086 1500 I HN -0.031 nan 8.210 nan 0.000 0.433 1501 K N 0.420 120.869 120.400 0.083 0.000 2.005 1501 K HA -0.053 4.266 4.320 -0.002 0.000 0.206 1501 K C 2.075 178.713 176.600 0.063 0.000 1.044 1501 K CA 0.999 57.331 56.287 0.074 0.000 0.942 1501 K CB -0.320 32.227 32.500 0.079 0.000 0.727 1501 K HN 0.055 nan 8.250 nan 0.000 0.439 1502 V N 1.644 121.593 119.914 0.059 0.000 2.453 1502 V HA -0.276 3.843 4.120 -0.002 0.000 0.252 1502 V C 2.227 178.360 176.094 0.064 0.000 1.068 1502 V CA 1.841 64.174 62.300 0.054 0.000 1.070 1502 V CB -0.416 31.426 31.823 0.033 0.000 0.664 1502 V HN 0.285 nan 8.190 nan 0.000 0.461 1503 S N -1.059 114.665 115.700 0.041 0.000 2.357 1503 S HA -0.148 4.321 4.470 -0.002 0.000 0.221 1503 S C 1.973 176.607 174.600 0.056 0.000 1.031 1503 S CA 1.174 59.392 58.200 0.029 0.000 0.982 1503 S CB -0.165 63.013 63.200 -0.036 0.000 0.853 1503 S HN 0.590 nan 8.310 nan 0.000 0.458 1504 E N 1.534 121.766 120.200 0.053 0.000 2.049 1504 E HA -0.154 4.195 4.350 -0.002 0.000 0.198 1504 E C 1.585 178.235 176.600 0.083 0.000 1.007 1504 E CA 1.575 58.012 56.400 0.061 0.000 0.809 1504 E CB -0.433 29.300 29.700 0.056 0.000 0.749 1504 E HN 0.374 nan 8.360 nan 0.000 0.450 1505 D N -0.677 119.776 120.400 0.088 0.000 2.158 1505 D HA -0.162 4.477 4.640 -0.002 0.000 0.197 1505 D C 1.600 177.992 176.300 0.153 0.000 0.995 1505 D CA 0.633 54.696 54.000 0.105 0.000 0.846 1505 D CB -0.088 40.769 40.800 0.096 0.000 0.941 1505 D HN 0.071 nan 8.370 nan 0.000 0.456 1506 L N 0.161 121.490 121.223 0.177 0.000 2.240 1506 L HA 0.033 4.372 4.340 -0.002 0.000 0.211 1506 L C 1.596 178.634 176.870 0.280 0.000 1.106 1506 L CA 1.246 56.256 54.840 0.282 0.000 0.793 1506 L CB -0.544 41.684 42.059 0.282 0.000 0.927 1506 L HN -0.060 nan 8.230 nan 0.000 0.446 1507 N N -0.946 117.857 118.700 0.172 0.000 2.132 1507 N HA -0.175 4.564 4.740 -0.002 0.000 0.187 1507 N C 1.777 177.374 175.510 0.145 0.000 1.038 1507 N CA 1.410 54.549 53.050 0.149 0.000 0.846 1507 N CB -0.062 38.480 38.487 0.091 0.000 1.012 1507 N HN 0.348 nan 8.380 nan 0.000 0.429 1508 Q N -0.186 119.680 119.800 0.111 0.000 2.133 1508 Q HA -0.225 4.114 4.340 -0.002 0.000 0.208 1508 Q C 2.023 178.074 176.000 0.084 0.000 0.991 1508 Q CA 1.873 57.725 55.803 0.082 0.000 0.867 1508 Q CB -0.336 28.447 28.738 0.074 0.000 0.911 1508 Q HN 0.535 nan 8.270 nan 0.000 0.417 1509 A N 0.745 123.649 122.820 0.140 0.000 1.841 1509 A HA -0.187 4.132 4.320 -0.002 0.000 0.214 1509 A C 1.880 179.516 177.584 0.086 0.000 1.195 1509 A CA 1.243 53.381 52.037 0.169 0.000 0.611 1509 A CB -0.933 18.249 19.000 0.303 0.000 0.835 1509 A HN 0.440 nan 8.150 nan 0.000 0.443 1510 F N 1.017 120.865 119.950 -0.170 0.000 2.120 1510 F HA -0.217 4.309 4.527 -0.002 0.000 0.300 1510 F C 2.143 177.751 175.800 -0.320 0.000 1.095 1510 F CA 2.270 59.859 58.000 -0.685 0.000 1.249 1510 F CB -0.244 38.222 39.000 -0.889 0.000 0.995 1510 F HN 0.147 nan 8.300 nan 0.000 0.480 1511 K N 0.162 120.423 120.400 -0.233 0.000 2.032 1511 K HA -0.155 4.164 4.320 -0.002 0.000 0.209 1511 K C 1.015 177.477 176.600 -0.230 0.000 1.048 1511 K CA 1.412 57.554 56.287 -0.241 0.000 0.927 1511 K CB -0.332 32.139 32.500 -0.047 0.000 0.712 1511 K HN 0.430 nan 8.250 nan 0.000 0.441 1521 L N -0.070 121.186 121.223 0.056 0.000 2.710 1521 L HA 0.473 4.812 4.340 -0.002 0.000 0.260 1521 L C -2.774 174.124 176.870 0.046 0.000 0.993 1521 L CA -1.731 53.140 54.840 0.051 0.000 0.877 1521 L CB 1.941 44.032 42.059 0.055 0.000 1.461 1521 L HN 0.276 nan 8.230 nan 0.000 0.413 1522 P HA 0.069 nan 4.420 nan 0.000 0.267 1522 P C 0.341 177.652 177.300 0.018 0.000 1.201 1522 P CA 0.226 63.337 63.100 0.017 0.000 0.775 1522 P CB 0.714 32.423 31.700 0.015 0.000 0.854 1523 A N 2.692 125.508 122.820 -0.006 0.000 1.873 1523 A HA -0.254 4.065 4.320 -0.002 0.000 0.219 1523 A C 1.379 178.967 177.584 0.007 0.000 1.269 1523 A CA 2.209 54.233 52.037 -0.021 0.000 0.671 1523 A CB -1.365 17.608 19.000 -0.046 0.000 0.842 1523 A HN 0.597 nan 8.150 nan 0.000 0.460 1524 D N -0.718 119.688 120.400 0.010 0.000 2.400 1524 D HA 0.185 4.824 4.640 -0.002 0.000 0.243 1524 D C 1.237 177.558 176.300 0.034 0.000 1.184 1524 D CA 0.778 54.792 54.000 0.024 0.000 0.853 1524 D CB 0.251 41.062 40.800 0.018 0.000 0.944 1524 D HN 0.344 nan 8.370 nan 0.000 0.501 1525 S N -0.890 114.834 115.700 0.040 0.000 2.492 1525 S HA 0.096 4.565 4.470 -0.002 0.000 0.218 1525 S C 0.567 175.201 174.600 0.056 0.000 1.016 1525 S CA -0.093 58.133 58.200 0.045 0.000 0.916 1525 S CB 0.499 63.725 63.200 0.043 0.000 0.791 1525 S HN -0.062 nan 8.310 nan 0.000 0.513 1526 V N 3.225 123.184 119.914 0.075 0.000 2.459 1526 V HA 0.532 4.651 4.120 -0.002 0.000 0.295 1526 V C -0.474 175.685 176.094 0.109 0.000 1.029 1526 V CA -0.909 61.450 62.300 0.098 0.000 0.874 1526 V CB 1.682 33.597 31.823 0.153 0.000 0.985 1526 V HN 0.378 nan 8.190 nan 0.000 0.438 1527 N N 4.795 123.541 118.700 0.078 0.000 2.461 1527 N HA 0.469 5.208 4.740 -0.002 0.000 0.284 1527 N C -1.008 174.518 175.510 0.027 0.000 1.049 1527 N CA -0.370 52.717 53.050 0.062 0.000 0.889 1527 N CB 1.678 40.190 38.487 0.041 0.000 1.365 1527 N HN 0.573 nan 8.380 nan 0.000 0.499 1528 I N 1.599 122.173 120.570 0.007 0.000 3.021 1528 I HA 0.281 4.450 4.170 -0.002 0.000 0.303 1528 I C 0.403 176.474 176.117 -0.076 0.000 1.044 1528 I CA -0.316 60.949 61.300 -0.059 0.000 1.266 1528 I CB 0.904 38.816 38.000 -0.146 0.000 1.447 1528 I HN 0.379 nan 8.210 nan 0.000 0.593 1529 K N 4.434 124.745 120.400 -0.148 0.000 2.664 1529 K HA 0.420 4.739 4.320 -0.002 0.000 0.298 1529 K C -1.720 174.680 176.600 -0.334 0.000 1.152 1529 K CA -0.283 55.879 56.287 -0.208 0.000 1.038 1529 K CB 0.928 33.296 32.500 -0.220 0.000 1.342 1529 K HN 0.447 nan 8.250 nan 0.000 0.496 1530 I N 6.595 126.971 120.570 -0.323 0.000 2.328 1530 I HA 0.339 4.508 4.170 -0.002 0.000 0.287 1530 I C -0.464 175.422 176.117 -0.386 0.000 1.012 1530 I CA -0.811 60.229 61.300 -0.432 0.000 1.195 1530 I CB 0.827 38.523 38.000 -0.507 0.000 1.350 1530 I HN 0.346 nan 8.210 nan 0.000 0.464 1531 L N 5.310 126.231 121.223 -0.503 0.000 2.330 1531 L HA 0.508 4.847 4.340 -0.002 0.000 0.271 1531 L C 0.350 177.054 176.870 -0.277 0.000 1.013 1531 L CA -0.960 53.571 54.840 -0.516 0.000 0.816 1531 L CB 1.117 42.377 42.059 -1.332 0.000 1.287 1531 L HN 0.510 nan 8.230 nan 0.000 0.435 1532 N N 0.989 119.676 118.700 -0.023 0.000 2.412 1532 N HA 0.018 4.757 4.740 -0.002 0.000 0.258 1532 N C 0.608 176.172 175.510 0.091 0.000 1.236 1532 N CA 0.588 53.672 53.050 0.057 0.000 0.882 1532 N CB 1.815 40.379 38.487 0.129 0.000 1.066 1532 N HN 0.851 nan 8.380 nan 0.000 0.465 1533 A N 3.613 126.452 122.820 0.032 0.000 1.968 1533 A HA 0.032 4.351 4.320 -0.002 0.000 0.217 1533 A C 1.897 179.532 177.584 0.085 0.000 1.169 1533 A CA 1.517 53.586 52.037 0.053 0.000 0.638 1533 A CB -0.670 18.351 19.000 0.035 0.000 0.812 1533 A HN 0.756 nan 8.150 nan 0.000 0.446 1534 G N -0.545 108.298 108.800 0.072 0.000 2.421 1534 G HA2 0.150 4.109 3.960 -0.002 0.000 0.217 1534 G HA3 0.150 4.109 3.960 -0.002 0.000 0.217 1534 G C 1.612 176.550 174.900 0.063 0.000 1.143 1534 G CA 1.240 46.375 45.100 0.058 0.000 0.784 1534 G HN 0.678 nan 8.290 nan 0.000 0.541 1535 A N 0.717 123.590 122.820 0.087 0.000 1.822 1535 A HA 0.149 4.468 4.320 -0.002 0.000 0.214 1535 A C 1.874 179.461 177.584 0.006 0.000 1.245 1535 A CA 1.313 53.367 52.037 0.028 0.000 0.608 1535 A CB -0.970 18.053 19.000 0.039 0.000 0.896 1535 A HN 0.372 nan 8.150 nan 0.000 0.457 1536 W N 0.263 121.520 121.300 -0.072 0.000 1.579 1536 W HA -0.004 4.655 4.660 -0.002 0.000 0.279 1536 W C 1.774 178.252 176.519 -0.069 0.000 0.896 1536 W CA 1.469 58.757 57.345 -0.095 0.000 0.930 1536 W CB -1.340 28.040 29.460 -0.134 0.000 1.041 1536 W HN 0.331 nan 8.180 nan 0.000 0.529 1537 S N 1.448 117.310 115.700 0.269 0.000 2.605 1537 S HA -0.104 4.365 4.470 -0.002 0.000 0.309 1537 S C 0.772 175.427 174.600 0.090 0.000 1.257 1537 S CA 0.192 58.491 58.200 0.165 0.000 1.033 1537 S CB 0.360 63.661 63.200 0.168 0.000 0.742 1537 S HN 0.177 nan 8.310 nan 0.000 0.487 1538 R N 1.376 121.915 120.500 0.064 0.000 2.624 1538 R HA 0.322 4.661 4.340 -0.002 0.000 0.104 1538 R C 0.325 176.630 176.300 0.008 0.000 1.178 1538 R CA 0.263 56.374 56.100 0.018 0.000 0.986 1538 R CB -1.212 29.081 30.300 -0.011 0.000 0.855 1538 R HN 0.896 nan 8.270 nan 0.000 0.386 1539 S N 1.523 117.217 115.700 -0.010 0.000 3.074 1539 S HA -0.033 4.436 4.470 -0.002 0.000 0.359 1539 S C -0.267 174.314 174.600 -0.032 0.000 1.207 1539 S CA 0.052 58.239 58.200 -0.023 0.000 1.061 1539 S CB -0.253 62.931 63.200 -0.027 0.000 0.769 1539 S HN 0.315 nan 8.310 nan 0.000 0.512 1540 S N 3.521 119.193 115.700 -0.047 0.000 2.528 1540 S HA 0.346 4.815 4.470 -0.002 0.000 0.303 1540 S C -0.141 174.404 174.600 -0.092 0.000 1.123 1540 S CA -0.814 57.338 58.200 -0.080 0.000 1.138 1540 S CB 0.312 63.465 63.200 -0.079 0.000 0.984 1540 S HN 0.873 nan 8.310 nan 0.000 0.474 1541 E N 2.988 123.122 120.200 -0.110 0.000 2.241 1541 E HA 0.273 4.622 4.350 -0.002 0.000 0.263 1541 E C -1.169 175.316 176.600 -0.192 0.000 0.882 1541 E CA -0.880 55.452 56.400 -0.114 0.000 0.769 1541 E CB 0.948 30.606 29.700 -0.070 0.000 1.185 1541 E HN 0.238 nan 8.360 nan 0.000 0.415 1542 K N 1.674 121.921 120.400 -0.256 0.000 2.530 1542 K HA 0.103 4.422 4.320 -0.002 0.000 0.280 1542 K C -0.411 175.785 176.600 -0.674 0.000 1.004 1542 K CA 0.329 56.328 56.287 -0.480 0.000 1.071 1542 K CB 0.560 32.732 32.500 -0.546 0.000 0.876 1542 K HN 0.332 nan 8.250 nan 0.000 0.487 1543 V N 5.318 124.859 119.914 -0.622 0.000 2.483 1543 V HA 0.354 4.473 4.120 -0.002 0.000 0.297 1543 V C -0.756 175.082 176.094 -0.426 0.000 1.027 1543 V CA -0.958 61.096 62.300 -0.411 0.000 0.855 1543 V CB 0.540 32.350 31.823 -0.022 0.000 0.995 1543 V HN 0.453 nan 8.190 nan 0.000 0.424 1544 F N 3.712 123.622 119.950 -0.066 0.000 2.425 1544 F HA 0.908 5.435 4.527 0.001 0.000 0.331 1544 F C 0.079 175.729 175.800 -0.249 0.000 1.085 1544 F CA -1.155 56.779 58.000 -0.110 0.000 1.028 1544 F CB 1.595 40.533 39.000 -0.103 0.000 1.177 1544 F HN 0.217 nan 8.300 nan 0.000 0.487 1545 V N 0.020 119.885 119.914 -0.081 0.000 3.120 1545 V HA 0.401 4.520 4.120 -0.002 0.000 0.303 1545 V C -0.838 175.133 176.094 -0.205 0.000 1.238 1545 V CA -1.103 61.045 62.300 -0.254 0.000 1.008 1545 V CB 2.103 33.682 31.823 -0.407 0.000 1.064 1545 V HN 0.741 nan 8.190 nan 0.000 0.434 1546 S N 3.384 118.970 115.700 -0.191 0.000 2.438 1546 S HA 0.687 5.156 4.470 -0.002 0.000 0.293 1546 S C -0.356 174.149 174.600 -0.158 0.000 1.141 1546 S CA -0.462 57.650 58.200 -0.148 0.000 1.080 1546 S CB 0.385 63.512 63.200 -0.122 0.000 0.978 1546 S HN 0.482 nan 8.310 nan 0.000 0.479 1547 L N 5.190 126.321 121.223 -0.155 0.000 2.357 1547 L HA 0.510 4.849 4.340 -0.002 0.000 0.273 1547 L C -1.898 174.920 176.870 -0.085 0.000 1.080 1547 L CA -2.117 52.630 54.840 -0.154 0.000 0.803 1547 L CB 0.319 42.274 42.059 -0.173 0.000 1.174 1547 L HN 0.349 nan 8.230 nan 0.000 0.443 1548 P HA 0.119 nan 4.420 nan 0.000 0.277 1548 P C 0.430 177.749 177.300 0.033 0.000 1.240 1548 P CA -0.382 62.759 63.100 0.067 0.000 0.798 1548 P CB 0.977 32.826 31.700 0.249 0.000 0.979 1549 T N 1.014 115.596 114.554 0.047 0.000 2.649 1549 T HA -0.228 4.121 4.350 -0.002 0.000 0.268 1549 T C 1.568 176.276 174.700 0.013 0.000 1.036 1549 T CA 1.973 64.083 62.100 0.017 0.000 1.157 1549 T CB -0.449 68.432 68.868 0.021 0.000 0.861 1549 T HN 0.592 nan 8.240 nan 0.000 0.445 1550 E N 1.630 121.860 120.200 0.049 0.000 2.048 1550 E HA -0.175 4.174 4.350 -0.002 0.000 0.202 1550 E C 2.339 178.933 176.600 -0.009 0.000 1.021 1550 E CA 1.252 57.675 56.400 0.040 0.000 0.825 1550 E CB -1.028 28.726 29.700 0.089 0.000 0.756 1550 E HN 0.447 nan 8.360 nan 0.000 0.454 1551 L N 0.717 121.916 121.223 -0.040 0.000 2.056 1551 L HA -0.146 4.193 4.340 -0.002 0.000 0.207 1551 L C 2.885 179.670 176.870 -0.142 0.000 1.078 1551 L CA 1.517 56.300 54.840 -0.096 0.000 0.749 1551 L CB -0.425 41.562 42.059 -0.120 0.000 0.901 1551 L HN 0.210 nan 8.230 nan 0.000 0.433 1552 E N 0.271 120.400 120.200 -0.119 0.000 2.085 1552 E HA -0.265 4.084 4.350 -0.002 0.000 0.194 1552 E C 1.600 178.124 176.600 -0.126 0.000 0.994 1552 E CA 1.557 57.876 56.400 -0.135 0.000 0.801 1552 E CB 0.118 29.764 29.700 -0.090 0.000 0.743 1552 E HN 0.391 nan 8.360 nan 0.000 0.453 1553 D N 0.077 120.430 120.400 -0.078 0.000 2.264 1553 D HA -0.115 4.524 4.640 -0.002 0.000 0.208 1553 D C 1.862 178.125 176.300 -0.061 0.000 0.966 1553 D CA 0.415 54.383 54.000 -0.053 0.000 0.864 1553 D CB 0.093 40.882 40.800 -0.019 0.000 0.933 1553 D HN 0.227 nan 8.370 nan 0.000 0.499 1554 L N 0.598 121.766 121.223 -0.092 0.000 2.127 1554 L HA 0.024 4.363 4.340 -0.002 0.000 0.203 1554 L C 2.096 178.859 176.870 -0.180 0.000 1.080 1554 L CA 0.971 55.760 54.840 -0.085 0.000 0.768 1554 L CB -0.355 41.662 42.059 -0.071 0.000 0.924 1554 L HN -0.110 nan 8.230 nan 0.000 0.444 1555 I N 1.201 121.542 120.570 -0.381 0.000 2.091 1555 I HA -0.286 3.883 4.170 -0.002 0.000 0.240 1555 I C -0.260 175.698 176.117 -0.264 0.000 1.046 1555 I CA 2.075 62.956 61.300 -0.699 0.000 1.306 1555 I CB -2.055 35.382 38.000 -0.938 0.000 1.018 1555 I HN 0.308 nan 8.210 nan 0.000 0.404 1556 P HA -0.215 nan 4.420 nan 0.000 0.216 1556 P C 1.452 178.788 177.300 0.059 0.000 1.153 1556 P CA 1.706 64.806 63.100 0.001 0.000 0.848 1556 P CB -0.165 31.529 31.700 -0.011 0.000 0.787 1557 E N -0.052 120.171 120.200 0.039 0.000 2.160 1557 E HA -0.122 4.227 4.350 -0.002 0.000 0.195 1557 E C 1.831 178.542 176.600 0.185 0.000 0.991 1557 E CA 1.050 57.505 56.400 0.092 0.000 0.810 1557 E CB -0.170 29.570 29.700 0.068 0.000 0.742 1557 E HN 0.006 nan 8.360 nan 0.000 0.466 1558 V N 0.402 120.394 119.914 0.130 0.000 2.535 1558 V HA -0.138 3.981 4.120 -0.002 0.000 0.246 1558 V C 2.198 178.459 176.094 0.280 0.000 1.045 1558 V CA 1.705 64.071 62.300 0.110 0.000 1.058 1558 V CB -0.354 31.492 31.823 0.039 0.000 0.689 1558 V HN 0.251 nan 8.190 nan 0.000 0.461 1559 E N 0.610 120.984 120.200 0.290 0.000 2.118 1559 E HA -0.266 4.083 4.350 -0.002 0.000 0.195 1559 E C 2.135 178.862 176.600 0.211 0.000 0.992 1559 E CA 1.782 58.349 56.400 0.280 0.000 0.804 1559 E CB -0.041 29.816 29.700 0.262 0.000 0.741 1559 E HN 0.670 nan 8.360 nan 0.000 0.458 1560 E N -0.931 119.383 120.200 0.190 0.000 2.216 1560 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 1560 E C 1.620 178.321 176.600 0.168 0.000 0.988 1560 E CA 0.523 57.010 56.400 0.146 0.000 0.834 1560 E CB -0.125 29.647 29.700 0.120 0.000 0.772 1560 E HN 0.308 nan 8.360 nan 0.000 0.479 1561 F N 0.255 120.286 119.950 0.135 0.000 2.171 1561 F HA -0.242 4.283 4.527 -0.002 0.000 0.300 1561 F C 1.960 177.847 175.800 0.144 0.000 1.090 1561 F CA 1.233 59.334 58.000 0.168 0.000 1.293 1561 F CB -0.265 38.910 39.000 0.291 0.000 1.013 1561 F HN 0.017 nan 8.300 nan 0.000 0.486 1562 Y N 1.331 121.478 120.300 -0.254 0.000 2.439 1562 Y HA -0.025 4.524 4.550 -0.002 0.000 0.292 1562 Y C 2.179 177.907 175.900 -0.288 0.000 1.130 1562 Y CA 1.245 59.141 58.100 -0.340 0.000 1.254 1562 Y CB -0.426 37.982 38.460 -0.086 0.000 1.000 1562 Y HN 0.050 nan 8.280 nan 0.000 0.554 1563 K N 0.506 120.838 120.400 -0.113 0.000 2.002 1563 K HA -0.187 4.132 4.320 -0.002 0.000 0.209 1563 K C 1.502 177.964 176.600 -0.231 0.000 1.048 1563 K CA 1.962 58.169 56.287 -0.132 0.000 0.930 1563 K CB -0.250 32.232 32.500 -0.030 0.000 0.714 1563 K HN 0.337 nan 8.250 nan 0.000 0.438 1564 K N 0.522 120.781 120.400 -0.234 0.000 2.589 1564 K HA 0.081 4.400 4.320 -0.002 0.000 0.204 1564 K C 0.715 177.094 176.600 -0.368 0.000 1.029 1564 K CA 0.386 56.535 56.287 -0.230 0.000 1.177 1564 K CB 0.181 32.599 32.500 -0.137 0.000 0.902 1564 K HN 0.062 nan 8.250 nan 0.000 0.501 1565 N N 0.753 119.088 118.700 -0.609 0.000 2.742 1565 N HA 0.034 4.773 4.740 -0.002 0.000 0.233 1565 N C -0.388 174.447 175.510 -1.125 0.000 1.033 1565 N CA 0.473 52.919 53.050 -1.007 0.000 0.993 1565 N CB 0.673 38.221 38.487 -1.566 0.000 1.544 1565 N HN 0.343 nan 8.380 nan 0.000 0.459 1566 H N 0.681 119.463 119.070 -0.481 0.000 2.651 1566 H HA 0.276 4.831 4.556 -0.002 0.000 0.252 1566 H C -0.273 174.872 175.328 -0.303 0.000 1.365 1566 H CA -0.512 55.302 56.048 -0.390 0.000 1.539 1566 H CB 0.191 29.651 29.762 -0.503 0.000 1.621 1566 H HN 0.056 nan 8.280 nan 0.000 0.526 1567 S N 0.090 115.700 115.700 -0.151 0.000 2.580 1567 S HA 0.321 4.790 4.470 -0.002 0.000 0.266 1567 S C 1.511 176.081 174.600 -0.050 0.000 1.354 1567 S CA 0.390 58.533 58.200 -0.095 0.000 1.008 1567 S CB 0.978 64.130 63.200 -0.080 0.000 0.898 1567 S HN 0.954 nan 8.310 nan 0.000 0.555 1568 G N 0.569 109.350 108.800 -0.031 0.000 2.159 1568 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.256 1568 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.256 1568 G C -0.036 174.859 174.900 -0.007 0.000 0.977 1568 G CA 0.219 45.309 45.100 -0.016 0.000 0.652 1568 G HN 0.868 nan 8.290 nan 0.000 0.531 1569 R N -0.437 120.063 120.500 0.001 0.000 2.750 1569 R HA 0.724 5.063 4.340 -0.002 0.000 0.281 1569 R C -0.412 175.904 176.300 0.026 0.000 0.972 1569 R CA -0.876 55.242 56.100 0.030 0.000 0.912 1569 R CB 1.963 32.327 30.300 0.107 0.000 1.187 1569 R HN 0.137 nan 8.270 nan 0.000 0.464 1570 K N 2.919 123.280 120.400 -0.065 0.000 2.443 1570 K HA 0.387 4.706 4.320 -0.002 0.000 0.252 1570 K C -1.015 175.366 176.600 -0.365 0.000 0.933 1570 K CA -0.573 55.616 56.287 -0.162 0.000 0.792 1570 K CB 1.353 33.728 32.500 -0.208 0.000 1.185 1570 K HN 0.436 nan 8.250 nan 0.000 0.425 1571 L N 3.910 124.935 121.223 -0.330 0.000 2.395 1571 L HA 0.298 4.637 4.340 -0.002 0.000 0.269 1571 L C -0.171 176.350 176.870 -0.581 0.000 1.133 1571 L CA -0.614 53.898 54.840 -0.546 0.000 0.812 1571 L CB 0.589 42.264 42.059 -0.640 0.000 1.125 1571 L HN 0.523 nan 8.230 nan 0.000 0.452 1572 H N 1.449 120.241 119.070 -0.463 0.000 2.762 1572 H HA 0.169 4.724 4.556 -0.001 0.000 0.310 1572 H C -1.101 173.937 175.328 -0.483 0.000 1.004 1572 H CA -1.148 54.705 56.048 -0.325 0.000 1.267 1572 H CB 0.659 30.303 29.762 -0.196 0.000 1.437 1572 H HN 0.460 nan 8.280 nan 0.000 0.498 1573 W N 3.001 124.250 121.300 -0.086 0.000 2.397 1573 W HA 0.034 4.693 4.660 -0.002 0.000 0.327 1573 W C 1.080 177.324 176.519 -0.460 0.000 1.421 1573 W CA 0.171 57.367 57.345 -0.248 0.000 1.288 1573 W CB 0.209 29.529 29.460 -0.232 0.000 1.312 1573 W HN 0.479 nan 8.180 nan 0.000 0.559 1574 H N 4.865 123.775 119.070 -0.267 0.000 2.787 1574 H HA 0.106 4.661 4.556 -0.001 0.000 0.275 1574 H C 0.948 176.172 175.328 -0.173 0.000 1.183 1574 H CA 0.058 55.957 56.048 -0.247 0.000 1.290 1574 H CB 0.293 29.931 29.762 -0.206 0.000 1.438 1574 H HN 0.555 nan 8.280 nan 0.000 0.487 1575 H N 3.724 122.893 119.070 0.165 0.000 2.529 1575 H HA 0.014 4.570 4.556 -0.001 0.000 0.277 1575 H C 1.216 176.601 175.328 0.095 0.000 0.999 1575 H CA 0.086 56.251 56.048 0.195 0.000 1.256 1575 H CB 0.920 30.858 29.762 0.294 0.000 1.402 1575 H HN 0.452 nan 8.280 nan 0.000 0.566 1579 N N -0.304 118.396 118.700 0.001 0.000 2.934 1579 N HA 0.886 5.625 4.740 -0.002 0.000 0.253 1579 N C -0.355 175.150 175.510 -0.009 0.000 1.466 1579 N CA -0.562 52.480 53.050 -0.013 0.000 0.858 1579 N CB 1.046 39.521 38.487 -0.020 0.000 1.459 1579 N HN 0.915 nan 8.380 nan 0.000 0.532 1580 G N -0.975 107.816 108.800 -0.015 0.000 2.490 1580 G HA2 0.550 4.509 3.960 -0.002 0.000 0.308 1580 G HA3 0.550 4.509 3.960 -0.002 0.000 0.308 1580 G C -1.928 172.972 174.900 -0.000 0.000 1.286 1580 G CA -0.857 44.240 45.100 -0.005 0.000 0.825 1580 G HN 0.609 nan 8.290 nan 0.000 0.479 1581 I N 1.050 121.631 120.570 0.017 0.000 2.466 1581 I HA 0.543 4.712 4.170 -0.002 0.000 0.289 1581 I C -0.259 175.891 176.117 0.056 0.000 1.026 1581 I CA -0.871 60.450 61.300 0.035 0.000 1.078 1581 I CB 2.002 40.031 38.000 0.048 0.000 1.249 1581 I HN 0.643 nan 8.210 nan 0.000 0.429 1582 I N 1.346 121.960 120.570 0.073 0.000 2.569 1582 I HA 0.614 4.783 4.170 -0.002 0.000 0.296 1582 I C -0.082 176.128 176.117 0.156 0.000 1.028 1582 I CA -0.417 60.962 61.300 0.130 0.000 1.082 1582 I CB 2.065 40.167 38.000 0.170 0.000 1.264 1582 I HN 0.358 nan 8.210 nan 0.000 0.429 1583 T N 4.324 118.978 114.554 0.168 0.000 2.813 1583 T HA 0.286 4.635 4.350 -0.002 0.000 0.297 1583 T C -0.602 174.256 174.700 0.263 0.000 1.036 1583 T CA 0.289 62.493 62.100 0.173 0.000 1.044 1583 T CB 0.656 69.593 68.868 0.115 0.000 0.993 1583 T HN 0.531 nan 8.240 nan 0.000 0.535 1584 F N 1.868 121.852 119.950 0.057 0.000 2.946 1584 F HA 0.338 4.864 4.527 -0.002 0.000 0.375 1584 F C -0.458 175.369 175.800 0.045 0.000 1.320 1584 F CA -1.414 56.612 58.000 0.044 0.000 1.181 1584 F CB 0.162 39.185 39.000 0.038 0.000 2.051 1584 F HN 0.195 nan 8.300 nan 0.000 0.622 1585 K N 3.480 123.931 120.400 0.084 0.000 2.402 1585 K HA 0.033 4.352 4.320 -0.002 0.000 0.279 1585 K C 0.027 176.503 176.600 -0.206 0.000 1.082 1585 K CA 0.477 56.703 56.287 -0.100 0.000 1.080 1585 K CB 0.174 32.654 32.500 -0.034 0.000 0.899 1585 K HN 0.737 nan 8.250 nan 0.000 0.469 1586 N N 1.800 120.265 118.700 -0.393 0.000 2.867 1586 N HA 0.098 4.837 4.740 -0.002 0.000 0.326 1586 N C 0.561 175.992 175.510 -0.132 0.000 1.355 1586 N CA -0.209 52.628 53.050 -0.355 0.000 0.830 1586 N CB 0.694 38.916 38.487 -0.442 0.000 1.152 1586 N HN 0.537 nan 8.380 nan 0.000 0.569 1587 E N -1.132 119.032 120.200 -0.060 0.000 2.452 1587 E HA 0.156 4.505 4.350 -0.002 0.000 0.197 1587 E C 0.546 177.133 176.600 -0.022 0.000 1.022 1587 E CA 0.131 56.515 56.400 -0.027 0.000 0.890 1587 E CB 0.392 30.093 29.700 0.002 0.000 0.918 1587 E HN 0.336 nan 8.360 nan 0.000 0.496 1588 V N -0.543 119.367 119.914 -0.007 0.000 3.621 1588 V HA 0.359 4.478 4.120 -0.002 0.000 0.263 1588 V C 0.756 176.838 176.094 -0.020 0.000 1.272 1588 V CA 0.638 62.949 62.300 0.018 0.000 1.080 1588 V CB 1.049 32.917 31.823 0.075 0.000 0.816 1588 V HN 0.307 nan 8.190 nan 0.000 0.451 1589 G N -0.592 108.132 108.800 -0.127 0.000 2.327 1589 G HA2 0.291 4.250 3.960 -0.002 0.000 0.291 1589 G HA3 0.291 4.250 3.960 -0.002 0.000 0.291 1589 G C -1.831 172.670 174.900 -0.666 0.000 1.290 1589 G CA -0.625 44.256 45.100 -0.365 0.000 0.857 1589 G HN -0.025 nan 8.290 nan 0.000 0.520 1590 Q N -0.278 119.054 119.800 -0.781 0.000 2.322 1590 Q HA 0.675 5.014 4.340 -0.002 0.000 0.265 1590 Q C -1.528 174.026 176.000 -0.743 0.000 0.985 1590 Q CA -0.623 54.819 55.803 -0.603 0.000 0.849 1590 Q CB 1.479 30.057 28.738 -0.267 0.000 1.274 1590 Q HN 0.509 nan 8.270 nan 0.000 0.449 1591 Y N 0.532 120.873 120.300 0.069 0.000 2.576 1591 Y HA 0.362 4.911 4.550 -0.002 0.000 0.346 1591 Y C -0.708 175.298 175.900 0.176 0.000 1.018 1591 Y CA -1.312 56.880 58.100 0.153 0.000 1.050 1591 Y CB 1.539 40.171 38.460 0.287 0.000 1.280 1591 Y HN 0.509 nan 8.280 nan 0.000 0.474 1592 D N 2.142 122.726 120.400 0.308 0.000 2.274 1592 D HA 0.440 5.079 4.640 -0.002 0.000 0.239 1592 D C -0.929 175.484 176.300 0.188 0.000 1.104 1592 D CA -0.090 54.032 54.000 0.204 0.000 0.840 1592 D CB 0.996 41.881 40.800 0.142 0.000 1.100 1592 D HN 0.337 nan 8.370 nan 0.000 0.477 1593 L N 2.105 123.411 121.223 0.137 0.000 2.296 1593 L HA 0.349 4.688 4.340 -0.002 0.000 0.286 1593 L C 0.444 177.325 176.870 0.017 0.000 1.023 1593 L CA -0.719 54.157 54.840 0.060 0.000 0.812 1593 L CB 1.456 43.512 42.059 -0.005 0.000 1.223 1593 L HN 0.188 nan 8.230 nan 0.000 0.421 1594 E N 3.557 123.751 120.200 -0.009 0.000 2.130 1594 E HA 0.461 4.810 4.350 -0.002 0.000 0.284 1594 E C -0.910 175.651 176.600 -0.065 0.000 1.018 1594 E CA -0.304 56.084 56.400 -0.020 0.000 0.817 1594 E CB 1.739 31.437 29.700 -0.003 0.000 1.078 1594 E HN 0.390 nan 8.360 nan 0.000 0.396 1595 V N -0.014 119.867 119.914 -0.056 0.000 3.206 1595 V HA 0.501 4.620 4.120 -0.002 0.000 0.305 1595 V C 0.022 176.083 176.094 -0.055 0.000 1.257 1595 V CA -1.094 61.162 62.300 -0.074 0.000 1.057 1595 V CB 1.819 33.590 31.823 -0.088 0.000 1.075 1595 V HN 0.446 nan 8.190 nan 0.000 0.443 1596 T N 0.963 115.485 114.554 -0.054 0.000 2.874 1596 T HA 0.308 4.657 4.350 -0.002 0.000 0.281 1596 T C 1.386 176.081 174.700 -0.008 0.000 0.994 1596 T CA 0.553 62.623 62.100 -0.050 0.000 1.015 1596 T CB 1.389 70.195 68.868 -0.103 0.000 1.028 1596 T HN 0.978 nan 8.240 nan 0.000 0.523 1597 T N 2.188 116.765 114.554 0.038 0.000 2.597 1597 T HA -0.142 4.207 4.350 -0.002 0.000 0.267 1597 T C 1.715 176.538 174.700 0.204 0.000 1.053 1597 T CA 1.572 63.735 62.100 0.106 0.000 1.165 1597 T CB -0.474 68.526 68.868 0.220 0.000 0.863 1597 T HN 0.487 nan 8.240 nan 0.000 0.427 1598 F N 1.963 121.887 119.950 -0.043 0.000 2.111 1598 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 1598 F C 2.597 178.366 175.800 -0.052 0.000 1.088 1598 F CA 0.948 58.923 58.000 -0.042 0.000 1.243 1598 F CB -1.301 37.698 39.000 -0.001 0.000 0.996 1598 F HN 0.335 nan 8.300 nan 0.000 0.483 1599 Q N -0.679 119.211 119.800 0.150 0.000 2.049 1599 Q HA -0.157 4.182 4.340 -0.002 0.000 0.198 1599 Q C 2.277 178.271 176.000 -0.009 0.000 0.971 1599 Q CA 1.178 57.009 55.803 0.047 0.000 0.833 1599 Q CB -0.611 28.122 28.738 -0.009 0.000 0.896 1599 Q HN 0.344 nan 8.270 nan 0.000 0.434 1600 L N 1.223 122.403 121.223 -0.073 0.000 2.013 1600 L HA -0.232 4.107 4.340 -0.002 0.000 0.212 1600 L C 2.203 178.959 176.870 -0.190 0.000 1.073 1600 L CA 2.314 57.017 54.840 -0.228 0.000 0.753 1600 L CB -0.985 40.858 42.059 -0.359 0.000 0.890 1600 L HN 0.167 nan 8.230 nan 0.000 0.432 1601 A N -1.053 121.694 122.820 -0.121 0.000 1.873 1601 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 1601 A C 2.275 179.862 177.584 0.005 0.000 1.193 1601 A CA 2.505 54.494 52.037 -0.079 0.000 0.629 1601 A CB -1.298 17.633 19.000 -0.114 0.000 0.826 1601 A HN 0.350 nan 8.150 nan 0.000 0.447 1602 V N 0.093 120.020 119.914 0.022 0.000 2.255 1602 V HA -0.285 3.834 4.120 -0.002 0.000 0.247 1602 V C 2.609 178.856 176.094 0.254 0.000 1.051 1602 V CA 2.102 64.445 62.300 0.073 0.000 1.018 1602 V CB -0.897 30.971 31.823 0.075 0.000 0.641 1602 V HN 0.567 nan 8.190 nan 0.000 0.445 1603 L N -1.446 119.921 121.223 0.241 0.000 1.994 1603 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 1603 L C 2.426 179.572 176.870 0.460 0.000 1.071 1603 L CA 1.643 56.674 54.840 0.318 0.000 0.745 1603 L CB -0.724 41.408 42.059 0.121 0.000 0.892 1603 L HN 0.220 nan 8.230 nan 0.000 0.431 1604 F N 0.528 120.529 119.950 0.085 0.000 2.373 1604 F HA -0.162 4.363 4.527 -0.003 0.000 0.300 1604 F C 2.389 178.217 175.800 0.048 0.000 1.080 1604 F CA 0.667 58.703 58.000 0.060 0.000 1.417 1604 F CB -0.927 38.078 39.000 0.009 0.000 1.070 1604 F HN 0.028 nan 8.300 nan 0.000 0.546 1605 A N -1.714 121.217 122.820 0.184 0.000 2.264 1605 A HA -0.126 4.193 4.320 -0.002 0.000 0.207 1605 A C 1.890 179.361 177.584 -0.188 0.000 1.196 1605 A CA 0.552 52.550 52.037 -0.065 0.000 0.778 1605 A CB -0.911 17.957 19.000 -0.220 0.000 0.779 1605 A HN 0.557 nan 8.150 nan 0.000 0.483 1606 W N -0.613 120.676 121.300 -0.018 0.000 2.792 1606 W HA 0.036 4.697 4.660 0.001 0.000 0.262 1606 W C 1.517 178.005 176.519 -0.051 0.000 1.212 1606 W CA 0.037 57.365 57.345 -0.027 0.000 1.433 1606 W CB -0.551 28.898 29.460 -0.020 0.000 1.004 1606 W HN 0.539 nan 8.180 nan 0.000 0.608 1607 N N 0.547 119.309 118.700 0.104 0.000 2.182 1607 N HA -0.284 4.455 4.740 -0.002 0.000 0.200 1607 N C 1.385 176.888 175.510 -0.012 0.000 0.989 1607 N CA 1.839 54.873 53.050 -0.028 0.000 0.907 1607 N CB -0.236 38.132 38.487 -0.198 0.000 1.048 1607 N HN 0.123 nan 8.380 nan 0.000 0.494 1608 Q N 0.017 119.807 119.800 -0.018 0.000 2.403 1608 Q HA 0.014 4.353 4.340 -0.002 0.000 0.203 1608 Q C 0.139 176.138 176.000 -0.002 0.000 0.932 1608 Q CA 0.595 56.385 55.803 -0.021 0.000 0.945 1608 Q CB 0.471 29.186 28.738 -0.038 0.000 1.045 1608 Q HN 0.597 nan 8.270 nan 0.000 0.511 1609 R N -1.753 118.765 120.500 0.030 0.000 2.583 1609 R HA 0.293 4.632 4.340 -0.002 0.000 0.282 1609 R C -2.552 173.855 176.300 0.179 0.000 1.288 1609 R CA -1.364 54.771 56.100 0.059 0.000 1.415 1609 R CB 0.085 30.383 30.300 -0.002 0.000 1.331 1609 R HN -0.172 nan 8.270 nan 0.000 0.719 1610 P HA -0.253 nan 4.420 nan 0.000 0.225 1610 P C 0.331 177.764 177.300 0.222 0.000 1.154 1610 P CA 1.678 64.894 63.100 0.193 0.000 0.933 1610 P CB 0.149 31.910 31.700 0.102 0.000 0.790 1611 R N -1.386 119.218 120.500 0.174 0.000 2.609 1611 R HA 0.176 4.515 4.340 -0.002 0.000 0.326 1611 R C 0.102 176.512 176.300 0.183 0.000 1.090 1611 R CA -0.116 56.076 56.100 0.154 0.000 1.072 1611 R CB 0.277 30.634 30.300 0.095 0.000 1.330 1611 R HN 0.245 nan 8.270 nan 0.000 0.572 1612 E N 1.092 121.447 120.200 0.259 0.000 2.222 1612 E HA 0.232 4.581 4.350 -0.002 0.000 0.272 1612 E C -0.533 176.253 176.600 0.310 0.000 0.982 1612 E CA -0.796 55.729 56.400 0.209 0.000 0.842 1612 E CB 1.608 31.376 29.700 0.113 0.000 1.144 1612 E HN -0.190 nan 8.360 nan 0.000 0.397 1613 K N 1.096 121.625 120.400 0.214 0.000 2.218 1613 K HA 0.426 4.745 4.320 -0.002 0.000 0.276 1613 K C -0.258 176.442 176.600 0.166 0.000 1.022 1613 K CA -0.001 56.438 56.287 0.254 0.000 0.946 1613 K CB 0.579 33.181 32.500 0.171 0.000 1.000 1613 K HN 0.324 nan 8.250 nan 0.000 0.468 1614 I N 1.971 122.660 120.570 0.199 0.000 2.466 1614 I HA 0.191 4.360 4.170 -0.002 0.000 0.289 1614 I C -0.033 176.174 176.117 0.150 0.000 1.026 1614 I CA -0.805 60.486 61.300 -0.015 0.000 1.078 1614 I CB 2.013 39.749 38.000 -0.440 0.000 1.249 1614 I HN 0.660 nan 8.210 nan 0.000 0.429 1615 S N 4.648 120.407 115.700 0.098 0.000 2.614 1615 S HA 0.229 4.698 4.470 -0.002 0.000 0.265 1615 S C 0.856 175.553 174.600 0.162 0.000 1.303 1615 S CA -0.417 57.902 58.200 0.199 0.000 1.000 1615 S CB 0.999 64.277 63.200 0.130 0.000 0.935 1615 S HN 0.605 nan 8.310 nan 0.000 0.551 1616 F N 1.440 121.459 119.950 0.115 0.000 2.126 1616 F HA -0.102 4.423 4.527 -0.004 0.000 0.299 1616 F C 2.537 178.293 175.800 -0.073 0.000 1.096 1616 F CA 2.186 60.165 58.000 -0.036 0.000 1.255 1616 F CB -0.408 38.617 39.000 0.043 0.000 0.997 1616 F HN 0.907 nan 8.300 nan 0.000 0.479 1617 E N 0.496 120.653 120.200 -0.071 0.000 2.051 1617 E HA -0.301 4.048 4.350 -0.002 0.000 0.192 1617 E C 2.033 178.496 176.600 -0.229 0.000 0.991 1617 E CA 1.561 57.855 56.400 -0.178 0.000 0.799 1617 E CB -0.901 28.779 29.700 -0.033 0.000 0.748 1617 E HN 0.531 nan 8.360 nan 0.000 0.449 1618 N N 0.699 119.297 118.700 -0.170 0.000 2.188 1618 N HA -0.126 4.613 4.740 -0.002 0.000 0.184 1618 N C 2.364 177.716 175.510 -0.264 0.000 1.018 1618 N CA 0.785 53.721 53.050 -0.190 0.000 0.858 1618 N CB -0.189 38.205 38.487 -0.156 0.000 0.989 1618 N HN 0.227 nan 8.380 nan 0.000 0.426 1619 L N 1.015 122.044 121.223 -0.324 0.000 2.191 1619 L HA -0.115 4.224 4.340 -0.002 0.000 0.212 1619 L C 2.537 179.187 176.870 -0.366 0.000 1.103 1619 L CA 0.999 55.617 54.840 -0.370 0.000 0.769 1619 L CB -0.232 41.576 42.059 -0.420 0.000 0.908 1619 L HN 0.148 nan 8.230 nan 0.000 0.438 1620 K N -0.202 119.938 120.400 -0.432 0.000 2.283 1620 K HA -0.182 4.137 4.320 -0.002 0.000 0.202 1620 K C 1.922 178.356 176.600 -0.276 0.000 1.048 1620 K CA 0.891 56.941 56.287 -0.395 0.000 0.948 1620 K CB 0.141 32.365 32.500 -0.459 0.000 0.742 1620 K HN 0.127 nan 8.250 nan 0.000 0.458 1621 L N -0.556 120.519 121.223 -0.246 0.000 2.253 1621 L HA 0.190 4.529 4.340 -0.002 0.000 0.205 1621 L C 1.879 178.638 176.870 -0.186 0.000 1.078 1621 L CA 1.176 55.898 54.840 -0.196 0.000 0.805 1621 L CB -0.084 41.875 42.059 -0.167 0.000 0.963 1621 L HN 0.020 nan 8.230 nan 0.000 0.459 1622 A N -1.617 121.081 122.820 -0.204 0.000 2.016 1622 A HA -0.034 4.285 4.320 -0.002 0.000 0.217 1622 A C 1.975 179.452 177.584 -0.177 0.000 1.162 1622 A CA 1.813 53.738 52.037 -0.187 0.000 0.662 1622 A CB -0.631 18.237 19.000 -0.220 0.000 0.812 1622 A HN 0.467 nan 8.150 nan 0.000 0.450 1623 T N -1.483 112.949 114.554 -0.203 0.000 2.990 1623 T HA 0.177 4.526 4.350 -0.002 0.000 0.250 1623 T C 0.592 175.167 174.700 -0.207 0.000 1.041 1623 T CA 0.444 62.425 62.100 -0.199 0.000 1.010 1623 T CB 0.121 68.862 68.868 -0.211 0.000 1.003 1623 T HN 0.599 nan 8.240 nan 0.000 0.499 1624 E N 0.169 120.247 120.200 -0.203 0.000 3.991 1624 E HA -0.179 4.170 4.350 -0.002 0.000 0.331 1624 E C -0.247 176.247 176.600 -0.177 0.000 0.628 1624 E CA 0.397 56.683 56.400 -0.191 0.000 1.192 1624 E CB -1.793 27.813 29.700 -0.157 0.000 1.683 1624 E HN 0.476 nan 8.360 nan 0.000 0.416 1625 L N 3.375 124.463 121.223 -0.225 0.000 2.601 1625 L HA 0.055 4.394 4.340 -0.002 0.000 0.277 1625 L C -1.463 175.326 176.870 -0.134 0.000 1.219 1625 L CA -0.886 53.809 54.840 -0.241 0.000 0.915 1625 L CB -0.453 41.432 42.059 -0.289 0.000 1.160 1625 L HN -0.058 nan 8.230 nan 0.000 0.494 1626 P HA -0.081 nan 4.420 nan 0.000 0.269 1626 P C 0.343 177.648 177.300 0.008 0.000 1.217 1626 P CA -0.267 62.834 63.100 0.002 0.000 0.783 1626 P CB 0.758 32.506 31.700 0.081 0.000 0.898 1627 D N 1.514 121.930 120.400 0.026 0.000 2.160 1627 D HA -0.261 4.378 4.640 -0.002 0.000 0.189 1627 D C 1.748 178.164 176.300 0.194 0.000 1.003 1627 D CA 2.452 56.516 54.000 0.107 0.000 0.846 1627 D CB -0.341 40.539 40.800 0.134 0.000 0.949 1627 D HN 0.385 nan 8.370 nan 0.000 0.446 1628 A N 1.420 124.331 122.820 0.151 0.000 1.859 1628 A HA -0.241 4.078 4.320 -0.002 0.000 0.218 1628 A C 2.141 179.831 177.584 0.177 0.000 1.209 1628 A CA 2.195 54.323 52.037 0.152 0.000 0.639 1628 A CB -0.792 18.275 19.000 0.111 0.000 0.835 1628 A HN 0.311 nan 8.150 nan 0.000 0.450 1629 E N -0.596 119.706 120.200 0.169 0.000 2.097 1629 E HA -0.227 4.122 4.350 -0.002 0.000 0.196 1629 E C 1.981 178.715 176.600 0.223 0.000 1.000 1629 E CA 1.432 57.967 56.400 0.224 0.000 0.804 1629 E CB -0.685 29.171 29.700 0.260 0.000 0.740 1629 E HN 0.516 nan 8.360 nan 0.000 0.454 1630 L N 1.520 122.839 121.223 0.160 0.000 2.012 1630 L HA -0.207 4.132 4.340 -0.002 0.000 0.210 1630 L C 2.344 179.394 176.870 0.300 0.000 1.073 1630 L CA 1.820 56.753 54.840 0.154 0.000 0.748 1630 L CB -0.370 41.717 42.059 0.046 0.000 0.891 1630 L HN -0.028 nan 8.230 nan 0.000 0.431 1631 R N -0.518 120.214 120.500 0.387 0.000 2.094 1631 R HA -0.228 4.111 4.340 -0.002 0.000 0.239 1631 R C 2.363 178.891 176.300 0.379 0.000 1.137 1631 R CA 2.167 58.520 56.100 0.422 0.000 0.943 1631 R CB -0.571 29.914 30.300 0.309 0.000 0.850 1631 R HN 0.565 nan 8.270 nan 0.000 0.433 1632 R N 0.229 120.896 120.500 0.279 0.000 2.070 1632 R HA -0.070 4.269 4.340 -0.002 0.000 0.233 1632 R C 1.969 178.461 176.300 0.321 0.000 1.137 1632 R CA 2.045 58.309 56.100 0.272 0.000 0.945 1632 R CB -1.088 29.329 30.300 0.195 0.000 0.845 1632 R HN -0.008 nan 8.270 nan 0.000 0.430 1633 T N 1.809 116.529 114.554 0.277 0.000 2.720 1633 T HA -0.083 4.266 4.350 -0.002 0.000 0.268 1633 T C 1.910 176.738 174.700 0.213 0.000 1.037 1633 T CA 1.634 63.876 62.100 0.237 0.000 1.144 1633 T CB -0.185 68.828 68.868 0.242 0.000 0.864 1633 T HN 0.159 nan 8.240 nan 0.000 0.444 1634 L N -0.410 120.954 121.223 0.235 0.000 2.027 1634 L HA -0.053 4.286 4.340 -0.002 0.000 0.206 1634 L C 2.575 179.641 176.870 0.327 0.000 1.074 1634 L CA 1.319 56.279 54.840 0.199 0.000 0.745 1634 L CB -0.515 41.583 42.059 0.065 0.000 0.898 1634 L HN 0.480 nan 8.230 nan 0.000 0.433 1635 W N 1.159 122.637 121.300 0.296 0.000 2.325 1635 W HA -0.286 4.372 4.660 -0.003 0.000 0.299 1635 W C 2.706 179.324 176.519 0.167 0.000 1.215 1635 W CA 2.040 59.508 57.345 0.205 0.000 1.244 1635 W CB -0.150 29.379 29.460 0.114 0.000 1.140 1635 W HN 0.358 nan 8.180 nan 0.000 0.523 1636 S N 0.065 115.937 115.700 0.288 0.000 2.474 1636 S HA -0.142 4.327 4.470 -0.002 0.000 0.235 1636 S C 1.703 176.354 174.600 0.085 0.000 0.997 1636 S CA 1.077 59.407 58.200 0.217 0.000 0.949 1636 S CB -0.556 62.771 63.200 0.212 0.000 0.766 1636 S HN 0.356 nan 8.310 nan 0.000 0.517 1637 L N 0.917 122.165 121.223 0.042 0.000 2.664 1637 L HA 0.277 4.616 4.340 -0.002 0.000 0.233 1637 L C 1.708 178.567 176.870 -0.018 0.000 1.113 1637 L CA 0.227 55.059 54.840 -0.015 0.000 0.896 1637 L CB 0.792 42.839 42.059 -0.019 0.000 1.163 1637 L HN 0.418 nan 8.230 nan 0.000 0.497 1638 V N -5.040 114.832 119.914 -0.070 0.000 3.635 1638 V HA 0.432 4.551 4.120 -0.002 0.000 0.266 1638 V C 1.087 177.021 176.094 -0.268 0.000 1.316 1638 V CA 0.528 62.775 62.300 -0.089 0.000 1.060 1638 V CB 0.575 32.358 31.823 -0.067 0.000 0.820 1638 V HN 0.132 nan 8.190 nan 0.000 0.447 1639 A N -0.220 122.317 122.820 -0.471 0.000 2.663 1639 A HA 0.525 4.844 4.320 -0.002 0.000 0.273 1639 A C -0.161 177.342 177.584 -0.134 0.000 0.932 1639 A CA -0.411 51.323 52.037 -0.506 0.000 1.055 1639 A CB -0.305 17.894 19.000 -1.335 0.000 1.206 1639 A HN 0.336 nan 8.150 nan 0.000 0.485 1640 F N 3.284 123.156 119.950 -0.130 0.000 2.590 1640 F HA 0.291 4.817 4.527 -0.002 0.000 0.389 1640 F C -1.693 174.111 175.800 0.008 0.000 1.049 1640 F CA -1.961 56.026 58.000 -0.022 0.000 1.199 1640 F CB 0.573 39.578 39.000 0.008 0.000 1.058 1640 F HN 0.215 nan 8.300 nan 0.000 0.556 1641 P HA -0.048 nan 4.420 nan 0.000 0.269 1641 P C -0.590 176.484 177.300 -0.377 0.000 1.209 1641 P CA -0.003 62.905 63.100 -0.320 0.000 0.776 1641 P CB 0.623 32.158 31.700 -0.274 0.000 0.876 1642 K N -1.215 119.086 120.400 -0.165 0.000 3.129 1642 K HA -0.190 4.129 4.320 -0.002 0.000 0.273 1642 K C -0.281 176.296 176.600 -0.038 0.000 1.123 1642 K CA 0.597 56.824 56.287 -0.101 0.000 0.800 1642 K CB -2.286 30.143 32.500 -0.119 0.000 1.238 1642 K HN 0.452 nan 8.250 nan 0.000 0.492 1643 L N 0.449 121.677 121.223 0.008 0.000 2.349 1643 L HA 0.282 4.621 4.340 -0.002 0.000 0.278 1643 L C 1.226 178.131 176.870 0.059 0.000 0.996 1643 L CA -0.245 54.654 54.840 0.099 0.000 0.825 1643 L CB 1.367 43.581 42.059 0.258 0.000 1.243 1643 L HN 0.047 nan 8.230 nan 0.000 0.412 1644 K N 2.957 123.371 120.400 0.023 0.000 2.002 1644 K HA 0.061 4.380 4.320 -0.002 0.000 0.209 1644 K C 0.011 176.610 176.600 -0.003 0.000 1.048 1644 K CA 1.098 57.380 56.287 -0.009 0.000 0.930 1644 K CB 0.070 32.542 32.500 -0.047 0.000 0.714 1644 K HN 0.371 nan 8.250 nan 0.000 0.438 1645 R N 1.600 122.089 120.500 -0.018 0.000 2.387 1645 R HA 0.248 4.587 4.340 -0.002 0.000 0.314 1645 R C -0.287 176.153 176.300 0.235 0.000 0.958 1645 R CA -0.441 55.678 56.100 0.031 0.000 0.846 1645 R CB 1.394 31.608 30.300 -0.142 0.000 1.147 1645 R HN 0.125 nan 8.270 nan 0.000 0.447 1646 Q N 1.183 121.117 119.800 0.223 0.000 2.312 1646 Q HA 0.170 4.509 4.340 -0.002 0.000 0.236 1646 Q C 1.148 177.295 176.000 0.244 0.000 0.965 1646 Q CA -0.230 55.705 55.803 0.220 0.000 0.894 1646 Q CB 1.570 30.376 28.738 0.112 0.000 1.225 1646 Q HN 0.301 nan 8.270 nan 0.000 0.478 1647 V N 0.885 120.812 119.914 0.023 0.000 2.649 1647 V HA -0.007 4.112 4.120 -0.002 0.000 0.248 1647 V C 0.854 176.825 176.094 -0.205 0.000 1.054 1647 V CA 1.042 63.190 62.300 -0.254 0.000 1.073 1647 V CB 0.060 31.568 31.823 -0.524 0.000 0.699 1647 V HN 0.454 nan 8.190 nan 0.000 0.463 1648 L N 0.956 122.115 121.223 -0.106 0.000 2.349 1648 L HA 0.476 4.815 4.340 -0.002 0.000 0.278 1648 L C -0.961 175.960 176.870 0.086 0.000 0.996 1648 L CA -0.388 54.408 54.840 -0.072 0.000 0.825 1648 L CB 1.917 43.961 42.059 -0.026 0.000 1.243 1648 L HN 0.104 nan 8.230 nan 0.000 0.412 1649 L N 4.669 125.935 121.223 0.071 0.000 2.302 1649 L HA 0.256 4.595 4.340 -0.002 0.000 0.285 1649 L C -0.035 176.895 176.870 0.099 0.000 1.090 1649 L CA -0.653 54.242 54.840 0.092 0.000 0.866 1649 L CB -0.486 41.596 42.059 0.037 0.000 1.244 1649 L HN 0.479 nan 8.230 nan 0.000 0.435 1650 Y N 0.616 120.858 120.300 -0.098 0.000 2.260 1650 Y HA 0.392 4.940 4.550 -0.003 0.000 0.339 1650 Y C 0.806 176.564 175.900 -0.235 0.000 1.317 1650 Y CA -0.680 57.197 58.100 -0.372 0.000 1.514 1650 Y CB 0.512 38.626 38.460 -0.577 0.000 1.382 1650 Y HN 0.414 nan 8.280 nan 0.000 0.581 1651 E N 1.317 121.320 120.200 -0.328 0.000 3.277 1651 E HA 0.274 4.623 4.350 -0.002 0.000 0.426 1651 E C -2.325 174.082 176.600 -0.322 0.000 0.326 1651 E CA -0.804 55.432 56.400 -0.273 0.000 2.454 1651 E CB -0.942 28.688 29.700 -0.118 0.000 2.219 1651 E HN 0.650 nan 8.360 nan 0.000 0.459 1652 P HA -0.083 nan 4.420 nan 0.000 0.250 1652 P C -0.792 176.479 177.300 -0.048 0.000 1.161 1652 P CA 0.371 63.434 63.100 -0.061 0.000 0.863 1652 P CB 0.159 31.881 31.700 0.036 0.000 0.827 1653 Q N 1.694 121.367 119.800 -0.212 0.000 2.414 1653 Q HA 0.175 4.514 4.340 -0.002 0.000 0.288 1653 Q C 0.773 176.888 176.000 0.192 0.000 1.086 1653 Q CA 0.378 56.104 55.803 -0.128 0.000 0.943 1653 Q CB 0.749 29.407 28.738 -0.132 0.000 1.282 1653 Q HN 0.478 nan 8.270 nan 0.000 0.438 1654 V N -1.337 118.807 119.914 0.383 0.000 3.181 1654 V HA 0.455 4.574 4.120 -0.002 0.000 0.307 1654 V C -0.479 175.760 176.094 0.242 0.000 1.310 1654 V CA -0.846 61.579 62.300 0.209 0.000 1.067 1654 V CB 2.065 33.929 31.823 0.069 0.000 1.081 1654 V HN 0.689 nan 8.190 nan 0.000 0.453 1655 N N 0.005 118.756 118.700 0.084 0.000 2.227 1655 N HA 0.392 5.131 4.740 -0.002 0.000 0.196 1655 N C 0.011 175.395 175.510 -0.210 0.000 1.142 1655 N CA 0.593 53.694 53.050 0.084 0.000 0.887 1655 N CB 1.028 39.533 38.487 0.029 0.000 1.022 1655 N HN 0.748 nan 8.380 nan 0.000 0.500 1656 S N -0.743 114.697 115.700 -0.432 0.000 2.536 1656 S HA 0.383 4.852 4.470 -0.002 0.000 0.271 1656 S C -2.296 171.803 174.600 -0.835 0.000 1.134 1656 S CA -1.465 56.257 58.200 -0.797 0.000 0.897 1656 S CB 1.341 64.270 63.200 -0.451 0.000 1.094 1656 S HN -0.247 nan 8.310 nan 0.000 0.473 1657 P HA -0.090 nan 4.420 nan 0.000 0.218 1657 P C 0.686 177.775 177.300 -0.351 0.000 1.146 1657 P CA 1.243 63.969 63.100 -0.623 0.000 0.813 1657 P CB 0.114 31.622 31.700 -0.320 0.000 0.778 1658 K N -0.714 119.509 120.400 -0.294 0.000 2.211 1658 K HA -0.133 4.186 4.320 -0.002 0.000 0.204 1658 K C 1.226 177.753 176.600 -0.122 0.000 1.047 1658 K CA 1.196 57.391 56.287 -0.153 0.000 0.935 1658 K CB -0.427 31.989 32.500 -0.139 0.000 0.728 1658 K HN 0.232 nan 8.250 nan 0.000 0.452 1659 D N 0.022 120.310 120.400 -0.187 0.000 2.355 1659 D HA 0.008 4.647 4.640 -0.002 0.000 0.218 1659 D C 0.361 176.656 176.300 -0.008 0.000 1.004 1659 D CA 0.284 54.224 54.000 -0.098 0.000 0.880 1659 D CB 0.018 40.758 40.800 -0.101 0.000 0.911 1659 D HN 0.083 nan 8.370 nan 0.000 0.528 1660 F N 1.512 121.399 119.950 -0.105 0.000 2.589 1660 F HA -0.003 4.524 4.527 -0.001 0.000 0.352 1660 F C 1.425 177.095 175.800 -0.217 0.000 1.168 1660 F CA 0.129 58.019 58.000 -0.182 0.000 1.353 1660 F CB 0.660 39.398 39.000 -0.436 0.000 1.116 1660 F HN -0.178 nan 8.300 nan 0.000 0.608 1661 T N -1.189 113.424 114.554 0.100 0.000 2.864 1661 T HA 0.196 4.545 4.350 -0.002 0.000 0.299 1661 T C 0.510 175.352 174.700 0.238 0.000 1.166 1661 T CA -1.026 61.144 62.100 0.115 0.000 1.007 1661 T CB 1.804 70.749 68.868 0.129 0.000 1.219 1661 T HN 0.460 nan 8.240 nan 0.000 0.506 1662 E N 1.286 121.671 120.200 0.307 0.000 2.136 1662 E HA -0.197 4.152 4.350 -0.002 0.000 0.208 1662 E C 2.155 178.899 176.600 0.240 0.000 1.035 1662 E CA 2.199 58.785 56.400 0.309 0.000 0.838 1662 E CB -1.010 28.799 29.700 0.182 0.000 0.748 1662 E HN 0.939 nan 8.360 nan 0.000 0.459 1663 G N 0.885 109.792 108.800 0.178 0.000 2.534 1663 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.217 1663 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.217 1663 G C 0.571 175.566 174.900 0.159 0.000 1.128 1663 G CA 0.470 45.655 45.100 0.142 0.000 0.784 1663 G HN 0.153 nan 8.290 nan 0.000 0.542 1664 T N 1.478 116.150 114.554 0.197 0.000 2.849 1664 T HA 0.221 4.570 4.350 -0.002 0.000 0.289 1664 T C 0.074 174.885 174.700 0.185 0.000 1.010 1664 T CA 0.482 62.681 62.100 0.164 0.000 1.161 1664 T CB 0.751 69.731 68.868 0.187 0.000 0.989 1664 T HN -0.001 nan 8.240 nan 0.000 0.523 1665 L N 3.590 124.829 121.223 0.026 0.000 2.334 1665 L HA 0.672 5.011 4.340 -0.002 0.000 0.276 1665 L C -0.677 176.174 176.870 -0.032 0.000 1.014 1665 L CA -0.923 53.993 54.840 0.127 0.000 0.815 1665 L CB 1.221 43.343 42.059 0.105 0.000 1.268 1665 L HN 0.515 nan 8.230 nan 0.000 0.428 1666 F N 0.391 120.492 119.950 0.252 0.000 2.563 1666 F HA 0.683 5.208 4.527 -0.004 0.000 0.316 1666 F C 0.160 176.246 175.800 0.477 0.000 1.076 1666 F CA -0.709 57.502 58.000 0.351 0.000 0.921 1666 F CB 2.333 41.597 39.000 0.440 0.000 1.209 1666 F HN 0.393 nan 8.300 nan 0.000 0.462 1667 S N -0.072 115.862 115.700 0.390 0.000 2.556 1667 S HA 0.681 5.150 4.470 -0.002 0.000 0.271 1667 S C -1.442 173.017 174.600 -0.235 0.000 1.135 1667 S CA -0.977 57.330 58.200 0.179 0.000 0.858 1667 S CB 1.345 64.646 63.200 0.169 0.000 1.114 1667 S HN 0.379 nan 8.310 nan 0.000 0.468 1668 V N 3.687 123.284 119.914 -0.528 0.000 2.421 1668 V HA 0.153 4.272 4.120 -0.002 0.000 0.271 1668 V C 1.121 177.149 176.094 -0.110 0.000 1.031 1668 V CA -0.443 61.573 62.300 -0.472 0.000 1.032 1668 V CB -0.338 31.210 31.823 -0.459 0.000 1.009 1668 V HN 0.961 nan 8.190 nan 0.000 0.477 1669 N N 5.614 124.294 118.700 -0.033 0.000 2.417 1669 N HA -0.033 4.706 4.740 -0.002 0.000 0.272 1669 N C 0.879 176.489 175.510 0.167 0.000 1.304 1669 N CA -0.168 52.933 53.050 0.085 0.000 0.906 1669 N CB 0.876 39.441 38.487 0.131 0.000 1.135 1669 N HN 0.616 nan 8.380 nan 0.000 0.483 1670 Q N 2.354 122.220 119.800 0.111 0.000 2.432 1670 Q HA 0.001 4.340 4.340 -0.002 0.000 0.205 1670 Q C 0.249 176.307 176.000 0.097 0.000 0.945 1670 Q CA 0.725 56.586 55.803 0.097 0.000 0.924 1670 Q CB 0.323 29.097 28.738 0.059 0.000 1.016 1670 Q HN 0.726 nan 8.270 nan 0.000 0.503 1671 E N 0.095 120.361 120.200 0.110 0.000 2.394 1671 E HA 0.070 4.419 4.350 -0.002 0.000 0.191 1671 E C -0.421 176.244 176.600 0.108 0.000 1.044 1671 E CA -0.452 55.997 56.400 0.082 0.000 0.939 1671 E CB 0.067 29.797 29.700 0.051 0.000 1.089 1671 E HN 0.081 nan 8.360 nan 0.000 0.456 1672 F N 1.861 121.817 119.950 0.009 0.000 2.440 1672 F HA 0.172 4.699 4.527 -0.001 0.000 0.323 1672 F C 0.314 176.050 175.800 -0.107 0.000 1.192 1672 F CA 0.272 58.261 58.000 -0.017 0.000 1.252 1672 F CB 0.696 39.748 39.000 0.087 0.000 1.214 1672 F HN -0.054 nan 8.300 nan 0.000 0.578 1673 S N 2.727 117.604 115.700 -1.371 0.000 2.758 1673 S HA 0.300 4.769 4.470 -0.002 0.000 0.278 1673 S C -1.460 172.509 174.600 -1.051 0.000 0.905 1673 S CA -1.264 56.260 58.200 -1.127 0.000 0.960 1673 S CB -0.218 62.790 63.200 -0.320 0.000 1.211 1673 S HN 0.799 nan 8.310 nan 0.000 0.462 1674 L N 0.879 121.659 121.223 -0.738 0.000 2.657 1674 L HA 0.734 5.073 4.340 -0.002 0.000 0.240 1674 L C -0.217 176.518 176.870 -0.225 0.000 1.151 1674 L CA -1.180 53.412 54.840 -0.412 0.000 0.831 1674 L CB 0.446 42.363 42.059 -0.237 0.000 1.539 1674 L HN 0.720 nan 8.230 nan 0.000 0.511 1675 I N 0.510 121.000 120.570 -0.132 0.000 2.680 1675 I HA 0.258 4.427 4.170 -0.002 0.000 0.291 1675 I C -0.965 175.126 176.117 -0.045 0.000 1.244 1675 I CA -0.549 60.704 61.300 -0.079 0.000 1.042 1675 I CB 2.396 40.349 38.000 -0.077 0.000 1.277 1675 I HN 0.448 nan 8.210 nan 0.000 0.423 1676 K N 6.152 126.537 120.400 -0.025 0.000 2.640 1676 K HA 0.332 4.651 4.320 -0.002 0.000 0.245 1676 K C -0.303 176.292 176.600 -0.008 0.000 0.962 1676 K CA -0.321 55.959 56.287 -0.011 0.000 0.896 1676 K CB 0.818 33.319 32.500 0.000 0.000 1.147 1676 K HN 0.684 nan 8.250 nan 0.000 0.445 1677 N N 3.175 121.870 118.700 -0.008 0.000 2.780 1677 N HA -0.226 4.513 4.740 -0.002 0.000 0.247 1677 N C -0.198 175.306 175.510 -0.010 0.000 1.076 1677 N CA 1.007 54.053 53.050 -0.007 0.000 0.688 1677 N CB -0.969 37.517 38.487 -0.003 0.000 0.957 1677 N HN 0.992 nan 8.380 nan 0.000 0.551 1678 A N -1.329 121.483 122.820 -0.015 0.000 2.790 1678 A HA -0.274 4.045 4.320 -0.002 0.000 0.277 1678 A C -0.018 177.556 177.584 -0.016 0.000 1.435 1678 A CA 1.882 53.909 52.037 -0.017 0.000 0.877 1678 A CB -0.762 18.231 19.000 -0.012 0.000 1.007 1678 A HN 0.375 nan 8.150 nan 0.000 0.613 1679 K N 0.027 120.418 120.400 -0.016 0.000 2.358 1679 K HA 0.517 4.836 4.320 -0.002 0.000 0.260 1679 K C -0.291 176.298 176.600 -0.017 0.000 0.956 1679 K CA -0.652 55.627 56.287 -0.012 0.000 0.834 1679 K CB 1.812 34.308 32.500 -0.006 0.000 1.102 1679 K HN 0.234 nan 8.250 nan 0.000 0.431 1680 V N 3.673 123.576 119.914 -0.018 0.000 2.390 1680 V HA -0.028 4.091 4.120 -0.002 0.000 0.260 1680 V C 0.609 176.705 176.094 0.004 0.000 1.043 1680 V CA -0.198 62.089 62.300 -0.022 0.000 1.047 1680 V CB -0.096 31.714 31.823 -0.021 0.000 1.066 1680 V HN 0.546 nan 8.190 nan 0.000 0.481 1681 Q N 3.984 123.790 119.800 0.011 0.000 2.330 1681 Q HA 0.117 4.456 4.340 -0.002 0.000 0.279 1681 Q C 1.050 177.139 176.000 0.148 0.000 1.024 1681 Q CA 0.657 56.498 55.803 0.063 0.000 0.900 1681 Q CB 0.662 29.441 28.738 0.067 0.000 1.221 1681 Q HN 0.562 nan 8.270 nan 0.000 0.396 1682 K N 1.840 122.301 120.400 0.101 0.000 2.352 1682 K HA 0.158 4.477 4.320 -0.002 0.000 0.194 1682 K C -0.066 176.475 176.600 -0.099 0.000 1.038 1682 K CA 0.333 56.646 56.287 0.043 0.000 1.023 1682 K CB 0.687 33.170 32.500 -0.028 0.000 0.840 1682 K HN 0.281 nan 8.250 nan 0.000 0.519 1683 R N 0.254 120.770 120.500 0.027 0.000 2.561 1683 R HA 0.477 4.816 4.340 -0.002 0.000 0.297 1683 R C -0.270 176.166 176.300 0.228 0.000 0.969 1683 R CA -0.428 55.660 56.100 -0.021 0.000 0.879 1683 R CB 1.998 32.283 30.300 -0.024 0.000 1.178 1683 R HN 0.184 nan 8.270 nan 0.000 0.445 1684 G N 1.050 110.103 108.800 0.421 0.000 2.608 1684 G HA2 0.572 4.531 3.960 -0.002 0.000 0.291 1684 G HA3 0.572 4.531 3.960 -0.002 0.000 0.291 1684 G C -1.592 173.507 174.900 0.332 0.000 1.425 1684 G CA -0.686 44.638 45.100 0.374 0.000 0.787 1684 G HN 0.262 nan 8.290 nan 0.000 0.484 1685 K N 0.205 120.733 120.400 0.214 0.000 2.588 1685 K HA 0.479 4.798 4.320 -0.002 0.000 0.250 1685 K C -0.877 175.810 176.600 0.145 0.000 0.972 1685 K CA -0.542 55.856 56.287 0.185 0.000 0.821 1685 K CB 2.422 35.004 32.500 0.135 0.000 1.249 1685 K HN 0.733 nan 8.250 nan 0.000 0.442 1686 I N -0.961 119.699 120.570 0.150 0.000 2.934 1686 I HA 0.541 4.710 4.170 -0.002 0.000 0.306 1686 I C -1.101 175.059 176.117 0.071 0.000 1.110 1686 I CA -0.777 60.596 61.300 0.123 0.000 1.019 1686 I CB 2.267 40.361 38.000 0.157 0.000 1.227 1686 I HN 0.416 nan 8.210 nan 0.000 0.434 1687 N N 4.277 123.019 118.700 0.070 0.000 2.430 1687 N HA 0.489 5.228 4.740 -0.002 0.000 0.292 1687 N C -0.892 174.537 175.510 -0.135 0.000 1.051 1687 N CA -0.456 52.604 53.050 0.016 0.000 0.917 1687 N CB 1.955 40.491 38.487 0.081 0.000 1.164 1687 N HN 0.805 nan 8.380 nan 0.000 0.484 1688 L N 4.243 125.280 121.223 -0.311 0.000 3.347 1688 L HA 0.429 4.768 4.340 -0.002 0.000 0.306 1688 L C -0.075 176.596 176.870 -0.332 0.000 1.301 1688 L CA -0.041 54.322 54.840 -0.796 0.000 0.985 1688 L CB 0.131 41.749 42.059 -0.735 0.000 1.400 1688 L HN 0.415 nan 8.230 nan 0.000 0.601 1689 I N -1.039 119.498 120.570 -0.055 0.000 3.449 1689 I HA 0.776 4.945 4.170 -0.002 0.000 0.294 1689 I C 0.813 177.004 176.117 0.124 0.000 1.163 1689 I CA -0.916 60.401 61.300 0.028 0.000 1.010 1689 I CB 1.676 39.679 38.000 0.005 0.000 1.307 1689 I HN 0.042 nan 8.210 nan 0.000 0.518 1690 G N 1.283 110.131 108.800 0.080 0.000 2.325 1690 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.214 1690 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.214 1690 G C -0.261 174.676 174.900 0.062 0.000 1.087 1690 G CA -0.763 44.391 45.100 0.089 0.000 0.811 1690 G HN 0.278 nan 8.290 nan 0.000 0.486 1691 R N -0.600 119.909 120.500 0.016 0.000 2.580 1691 R HA 0.871 5.210 4.340 -0.002 0.000 0.267 1691 R C 0.674 176.960 176.300 -0.024 0.000 1.125 1691 R CA -0.362 55.729 56.100 -0.015 0.000 1.188 1691 R CB 0.520 30.771 30.300 -0.083 0.000 1.155 1691 R HN 0.364 nan 8.270 nan 0.000 0.586 1692 L N -0.212 120.990 121.223 -0.035 0.000 2.170 1692 L HA 0.341 4.680 4.340 -0.002 0.000 0.247 1692 L C -0.085 176.769 176.870 -0.028 0.000 1.078 1692 L CA -1.008 53.810 54.840 -0.035 0.000 0.936 1692 L CB 1.483 43.524 42.059 -0.030 0.000 1.528 1692 L HN 0.510 nan 8.230 nan 0.000 0.455 1693 Q N 1.686 121.467 119.800 -0.031 0.000 2.276 1693 Q HA 0.239 4.578 4.340 -0.002 0.000 0.267 1693 Q C -0.637 175.357 176.000 -0.010 0.000 1.135 1693 Q CA -0.155 55.639 55.803 -0.016 0.000 0.910 1693 Q CB 0.053 28.759 28.738 -0.054 0.000 1.271 1693 Q HN 0.372 nan 8.270 nan 0.000 0.417 1694 L N 3.420 124.650 121.223 0.011 0.000 3.184 1694 L HA -0.276 4.063 4.340 -0.002 0.000 0.355 1694 L C 1.272 178.156 176.870 0.024 0.000 1.167 1694 L CA 0.627 55.485 54.840 0.031 0.000 0.816 1694 L CB -0.275 41.812 42.059 0.048 0.000 1.165 1694 L HN 0.936 nan 8.230 nan 0.000 0.603 1695 T N 1.457 116.035 114.554 0.040 0.000 2.616 1695 T HA -0.335 4.014 4.350 -0.002 0.000 0.261 1695 T C 1.676 176.388 174.700 0.020 0.000 1.105 1695 T CA 2.386 64.506 62.100 0.033 0.000 1.159 1695 T CB -0.347 68.554 68.868 0.055 0.000 0.856 1695 T HN 0.804 nan 8.240 nan 0.000 0.449 1696 T N 1.158 115.728 114.554 0.028 0.000 2.802 1696 T HA -0.183 4.166 4.350 -0.002 0.000 0.269 1696 T C 1.844 176.544 174.700 -0.000 0.000 1.062 1696 T CA 1.699 63.809 62.100 0.017 0.000 1.133 1696 T CB -0.314 68.567 68.868 0.022 0.000 0.852 1696 T HN 0.594 nan 8.240 nan 0.000 0.485 1697 E N 0.372 120.567 120.200 -0.008 0.000 2.046 1697 E HA -0.074 4.275 4.350 -0.002 0.000 0.190 1697 E C 1.458 178.036 176.600 -0.037 0.000 0.982 1697 E CA 0.273 56.657 56.400 -0.027 0.000 0.800 1697 E CB 0.130 29.809 29.700 -0.034 0.000 0.756 1697 E HN 0.157 nan 8.360 nan 0.000 0.449 1701 E N 1.624 121.800 120.200 -0.041 0.000 2.085 1701 E HA -0.116 4.233 4.350 -0.002 0.000 0.194 1701 E C 1.329 177.913 176.600 -0.026 0.000 0.994 1701 E CA 2.059 58.433 56.400 -0.043 0.000 0.801 1701 E CB -0.007 29.654 29.700 -0.065 0.000 0.743 1701 E HN 0.485 nan 8.360 nan 0.000 0.453 1702 E N 0.225 120.417 120.200 -0.014 0.000 2.035 1702 E HA -0.303 4.046 4.350 -0.002 0.000 0.204 1702 E C 2.111 178.705 176.600 -0.009 0.000 1.025 1702 E CA 1.498 57.901 56.400 0.005 0.000 0.835 1702 E CB -0.243 29.466 29.700 0.015 0.000 0.764 1702 E HN 0.151 nan 8.360 nan 0.000 0.457 1703 E N 0.642 120.833 120.200 -0.015 0.000 2.164 1703 E HA -0.255 4.094 4.350 -0.002 0.000 0.206 1703 E C 1.733 178.314 176.600 -0.032 0.000 1.032 1703 E CA 1.572 57.959 56.400 -0.022 0.000 0.832 1703 E CB -0.160 29.527 29.700 -0.021 0.000 0.742 1703 E HN 0.201 nan 8.360 nan 0.000 0.460 1704 N N -0.180 118.498 118.700 -0.035 0.000 2.220 1704 N HA -0.108 4.631 4.740 -0.002 0.000 0.182 1704 N C 1.438 176.917 175.510 -0.052 0.000 1.023 1704 N CA 1.031 54.052 53.050 -0.048 0.000 0.856 1704 N CB 0.074 38.533 38.487 -0.047 0.000 0.997 1704 N HN 0.233 nan 8.380 nan 0.000 0.429 1705 E N -0.134 120.044 120.200 -0.036 0.000 2.160 1705 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 1705 E C 1.838 178.414 176.600 -0.039 0.000 0.991 1705 E CA 1.060 57.442 56.400 -0.030 0.000 0.810 1705 E CB -0.235 29.466 29.700 0.002 0.000 0.742 1705 E HN 0.441 nan 8.360 nan 0.000 0.466 1706 G N 1.294 110.072 108.800 -0.036 0.000 2.404 1706 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.215 1706 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.215 1706 G C 1.601 176.461 174.900 -0.067 0.000 1.174 1706 G CA 0.375 45.450 45.100 -0.042 0.000 0.780 1706 G HN 0.109 nan 8.290 nan 0.000 0.537 1707 I N 0.447 120.971 120.570 -0.078 0.000 2.163 1707 I HA -0.195 3.974 4.170 -0.002 0.000 0.243 1707 I C 2.827 178.851 176.117 -0.156 0.000 1.085 1707 I CA 0.653 61.885 61.300 -0.114 0.000 1.347 1707 I CB -0.242 37.689 38.000 -0.115 0.000 1.044 1707 I HN 0.032 nan 8.210 nan 0.000 0.408 1708 V N 0.471 120.304 119.914 -0.135 0.000 2.255 1708 V HA -0.360 3.759 4.120 -0.002 0.000 0.247 1708 V C 2.407 178.416 176.094 -0.143 0.000 1.051 1708 V CA 2.040 64.250 62.300 -0.149 0.000 1.018 1708 V CB -0.853 30.907 31.823 -0.106 0.000 0.641 1708 V HN 0.486 nan 8.190 nan 0.000 0.445 1709 Q N -0.799 118.935 119.800 -0.110 0.000 2.152 1709 Q HA -0.273 4.066 4.340 -0.002 0.000 0.206 1709 Q C 2.226 178.157 176.000 -0.114 0.000 0.985 1709 Q CA 2.007 57.745 55.803 -0.108 0.000 0.863 1709 Q CB -0.395 28.294 28.738 -0.082 0.000 0.904 1709 Q HN 0.544 nan 8.270 nan 0.000 0.422 1710 L N 0.677 121.833 121.223 -0.112 0.000 2.056 1710 L HA -0.144 4.195 4.340 -0.002 0.000 0.207 1710 L C 2.101 178.907 176.870 -0.105 0.000 1.078 1710 L CA 1.691 56.474 54.840 -0.095 0.000 0.749 1710 L CB -0.253 41.755 42.059 -0.086 0.000 0.901 1710 L HN 0.025 nan 8.230 nan 0.000 0.433 1711 R N -0.426 119.931 120.500 -0.238 0.000 2.070 1711 R HA -0.113 4.226 4.340 -0.002 0.000 0.233 1711 R C 2.307 178.588 176.300 -0.032 0.000 1.137 1711 R CA 1.993 57.881 56.100 -0.353 0.000 0.945 1711 R CB -0.568 29.301 30.300 -0.720 0.000 0.845 1711 R HN 0.389 nan 8.270 nan 0.000 0.430 1712 I N 1.201 121.711 120.570 -0.100 0.000 2.145 1712 I HA -0.366 3.803 4.170 -0.002 0.000 0.244 1712 I C 2.388 178.446 176.117 -0.098 0.000 1.075 1712 I CA 1.559 62.801 61.300 -0.097 0.000 1.332 1712 I CB -0.413 37.490 38.000 -0.162 0.000 1.033 1712 I HN 0.207 nan 8.210 nan 0.000 0.410 1713 L N -0.117 121.046 121.223 -0.099 0.000 2.017 1713 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 1713 L C 2.880 179.731 176.870 -0.032 0.000 1.073 1713 L CA 1.241 56.024 54.840 -0.094 0.000 0.745 1713 L CB -0.552 41.460 42.059 -0.079 0.000 0.894 1713 L HN 0.206 nan 8.230 nan 0.000 0.432 1714 R N -0.475 120.055 120.500 0.050 0.000 2.075 1714 R HA -0.082 4.257 4.340 -0.002 0.000 0.232 1714 R C 2.251 178.589 176.300 0.064 0.000 1.126 1714 R CA 1.722 57.879 56.100 0.095 0.000 0.963 1714 R CB -1.184 29.279 30.300 0.272 0.000 0.858 1714 R HN 0.364 nan 8.270 nan 0.000 0.435 1715 T N 1.514 116.146 114.554 0.129 0.000 2.622 1715 T HA -0.235 4.114 4.350 -0.002 0.000 0.266 1715 T C 1.894 176.587 174.700 -0.010 0.000 1.047 1715 T CA 1.634 63.773 62.100 0.065 0.000 1.159 1715 T CB -0.270 68.656 68.868 0.097 0.000 0.863 1715 T HN 0.322 nan 8.240 nan 0.000 0.422 1716 Q N 0.504 120.283 119.800 -0.035 0.000 2.082 1716 Q HA -0.252 4.087 4.340 -0.002 0.000 0.211 1716 Q C 2.416 178.377 176.000 -0.065 0.000 1.002 1716 Q CA 2.180 57.947 55.803 -0.061 0.000 0.868 1716 Q CB -0.139 28.516 28.738 -0.138 0.000 0.931 1716 Q HN 0.664 nan 8.270 nan 0.000 0.414 1717 E N -0.747 119.416 120.200 -0.062 0.000 2.047 1717 E HA -0.213 4.136 4.350 -0.002 0.000 0.191 1717 E C 1.884 178.446 176.600 -0.063 0.000 0.987 1717 E CA 0.982 57.345 56.400 -0.062 0.000 0.799 1717 E CB -0.207 29.467 29.700 -0.044 0.000 0.752 1717 E HN 0.423 nan 8.360 nan 0.000 0.449 1718 A N 1.467 124.251 122.820 -0.060 0.000 1.948 1718 A HA -0.193 4.126 4.320 -0.002 0.000 0.220 1718 A C 2.208 179.745 177.584 -0.077 0.000 1.177 1718 A CA 1.510 53.502 52.037 -0.074 0.000 0.636 1718 A CB -0.690 18.254 19.000 -0.094 0.000 0.815 1718 A HN 0.376 nan 8.150 nan 0.000 0.449 1719 I N -0.793 119.733 120.570 -0.073 0.000 2.090 1719 I HA -0.258 3.911 4.170 -0.002 0.000 0.236 1719 I C 2.223 178.289 176.117 -0.085 0.000 1.064 1719 I CA 1.681 62.935 61.300 -0.077 0.000 1.324 1719 I CB -0.351 37.603 38.000 -0.077 0.000 1.044 1719 I HN 0.250 nan 8.210 nan 0.000 0.399 1720 I N 0.561 121.083 120.570 -0.080 0.000 2.800 1720 I HA -0.294 3.875 4.170 -0.002 0.000 0.266 1720 I C 2.430 178.449 176.117 -0.163 0.000 1.249 1720 I CA 0.947 62.192 61.300 -0.092 0.000 1.458 1720 I CB -0.159 37.806 38.000 -0.057 0.000 1.093 1720 I HN 0.348 nan 8.210 nan 0.000 0.466 1721 Q N 1.028 120.753 119.800 -0.125 0.000 2.123 1721 Q HA 0.027 4.366 4.340 -0.002 0.000 0.196 1721 Q C 1.110 177.027 176.000 -0.139 0.000 0.958 1721 Q CA 1.056 56.785 55.803 -0.122 0.000 0.841 1721 Q CB 0.055 28.743 28.738 -0.084 0.000 0.915 1721 Q HN 0.397 nan 8.270 nan 0.000 0.455 1727 K N 0.380 120.809 120.400 0.047 0.000 2.631 1727 K HA 0.216 4.535 4.320 -0.002 0.000 0.200 1727 K C -0.231 176.449 176.600 0.134 0.000 1.481 1727 K CA 0.286 56.639 56.287 0.109 0.000 1.087 1727 K CB 0.965 33.536 32.500 0.118 0.000 1.502 1727 K HN 0.296 nan 8.250 nan 0.000 0.560 1728 K N 1.693 122.150 120.400 0.095 0.000 2.559 1728 K HA 0.421 4.740 4.320 -0.002 0.000 0.249 1728 K C -1.442 175.205 176.600 0.079 0.000 0.958 1728 K CA -0.268 56.074 56.287 0.092 0.000 0.901 1728 K CB 1.067 33.603 32.500 0.061 0.000 1.124 1728 K HN 0.019 nan 8.250 nan 0.000 0.437 1729 I N 2.142 122.780 120.570 0.114 0.000 2.828 1729 I HA 0.378 4.547 4.170 -0.002 0.000 0.302 1729 I C -0.563 175.622 176.117 0.114 0.000 1.101 1729 I CA -0.583 60.782 61.300 0.107 0.000 1.031 1729 I CB 2.298 40.373 38.000 0.126 0.000 1.231 1729 I HN 0.715 nan 8.210 nan 0.000 0.427 1730 S N 4.496 120.236 115.700 0.067 0.000 2.617 1730 S HA 0.227 4.696 4.470 -0.002 0.000 0.283 1730 S C 0.812 175.479 174.600 0.111 0.000 1.189 1730 S CA -0.646 57.553 58.200 -0.001 0.000 1.036 1730 S CB 1.480 64.667 63.200 -0.021 0.000 1.014 1730 S HN 0.823 nan 8.310 nan 0.000 0.522 1731 N N 1.854 120.596 118.700 0.071 0.000 2.060 1731 N HA -0.258 4.481 4.740 -0.002 0.000 0.195 1731 N C 1.836 177.449 175.510 0.173 0.000 1.028 1731 N CA 1.859 55.106 53.050 0.329 0.000 0.861 1731 N CB -0.733 37.891 38.487 0.228 0.000 1.029 1731 N HN 0.828 nan 8.380 nan 0.000 0.428 1732 A N 1.096 123.966 122.820 0.082 0.000 1.849 1732 A HA -0.253 4.066 4.320 -0.002 0.000 0.217 1732 A C 2.180 179.798 177.584 0.056 0.000 1.202 1732 A CA 2.009 54.080 52.037 0.055 0.000 0.629 1732 A CB -1.230 17.786 19.000 0.028 0.000 0.834 1732 A HN 0.602 nan 8.150 nan 0.000 0.447 1733 Q N -1.072 118.758 119.800 0.051 0.000 2.181 1733 Q HA -0.185 4.154 4.340 -0.002 0.000 0.205 1733 Q C 1.972 178.002 176.000 0.050 0.000 0.980 1733 Q CA 1.694 57.523 55.803 0.042 0.000 0.862 1733 Q CB -0.220 28.540 28.738 0.037 0.000 0.905 1733 Q HN 0.589 nan 8.270 nan 0.000 0.429 1734 L N 0.479 121.754 121.223 0.086 0.000 2.093 1734 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 1734 L C 2.191 179.088 176.870 0.046 0.000 1.085 1734 L CA 1.564 56.451 54.840 0.078 0.000 0.755 1734 L CB -0.331 41.812 42.059 0.141 0.000 0.904 1734 L HN 0.165 nan 8.230 nan 0.000 0.435 1735 Q N -0.466 119.370 119.800 0.060 0.000 2.084 1735 Q HA -0.204 4.135 4.340 -0.002 0.000 0.202 1735 Q C 2.345 178.353 176.000 0.012 0.000 0.978 1735 Q CA 2.249 58.073 55.803 0.036 0.000 0.844 1735 Q CB -0.928 27.838 28.738 0.047 0.000 0.898 1735 Q HN 0.745 nan 8.270 nan 0.000 0.426 1736 T N -0.499 114.063 114.554 0.014 0.000 2.812 1736 T HA -0.140 4.209 4.350 -0.002 0.000 0.264 1736 T C 1.554 176.246 174.700 -0.012 0.000 1.042 1736 T CA 1.440 63.540 62.100 0.001 0.000 1.140 1736 T CB -0.096 68.775 68.868 0.004 0.000 0.870 1736 T HN 0.542 nan 8.240 nan 0.000 0.445 1737 E N 0.154 120.348 120.200 -0.011 0.000 2.478 1737 E HA 0.083 4.432 4.350 -0.002 0.000 0.194 1737 E C 2.025 178.599 176.600 -0.043 0.000 1.045 1737 E CA -0.061 56.323 56.400 -0.025 0.000 0.868 1737 E CB -0.241 29.447 29.700 -0.020 0.000 0.885 1737 E HN 0.365 nan 8.360 nan 0.000 0.505 1738 L N 1.048 122.246 121.223 -0.041 0.000 2.141 1738 L HA -0.059 4.280 4.340 -0.002 0.000 0.209 1738 L C 2.106 178.917 176.870 -0.098 0.000 1.094 1738 L CA 1.043 55.844 54.840 -0.065 0.000 0.763 1738 L CB -0.133 41.896 42.059 -0.050 0.000 0.908 1738 L HN 0.076 nan 8.230 nan 0.000 0.437 1739 V N -0.783 119.084 119.914 -0.078 0.000 2.548 1739 V HA -0.210 3.909 4.120 -0.002 0.000 0.249 1739 V C 2.440 178.476 176.094 -0.097 0.000 1.055 1739 V CA 1.601 63.846 62.300 -0.092 0.000 1.065 1739 V CB -0.351 31.439 31.823 -0.054 0.000 0.681 1739 V HN 0.539 nan 8.190 nan 0.000 0.462 1740 E N 0.049 120.204 120.200 -0.075 0.000 2.122 1740 E HA -0.083 4.266 4.350 -0.002 0.000 0.190 1740 E C 2.238 178.788 176.600 -0.083 0.000 0.977 1740 E CA 0.689 57.047 56.400 -0.069 0.000 0.820 1740 E CB -0.025 29.646 29.700 -0.048 0.000 0.770 1740 E HN 0.523 nan 8.360 nan 0.000 0.462 1741 I N 0.987 121.503 120.570 -0.090 0.000 2.361 1741 I HA -0.221 3.948 4.170 -0.002 0.000 0.251 1741 I C 1.593 177.632 176.117 -0.128 0.000 1.133 1741 I CA 0.979 62.223 61.300 -0.094 0.000 1.413 1741 I CB 0.050 37.995 38.000 -0.090 0.000 1.073 1741 I HN 0.262 nan 8.210 nan 0.000 0.424 1742 L N 0.546 121.655 121.223 -0.189 0.000 2.653 1742 L HA -0.009 4.330 4.340 -0.002 0.000 0.232 1742 L C 2.119 178.846 176.870 -0.238 0.000 1.169 1742 L CA 0.026 54.691 54.840 -0.291 0.000 0.951 1742 L CB -0.447 41.289 42.059 -0.538 0.000 1.181 1742 L HN 0.194 nan 8.230 nan 0.000 0.460 1743 K N 0.632 120.945 120.400 -0.145 0.000 2.107 1743 K HA -0.173 4.146 4.320 -0.002 0.000 0.211 1743 K C 0.599 177.156 176.600 -0.072 0.000 1.049 1743 K CA 1.259 57.489 56.287 -0.095 0.000 0.927 1743 K CB 0.234 32.694 32.500 -0.066 0.000 0.714 1743 K HN 0.381 nan 8.250 nan 0.000 0.452 1747 L N 5.186 126.489 121.223 0.133 0.000 2.295 1747 L HA 0.537 4.876 4.340 -0.002 0.000 0.288 1747 L C -2.197 174.766 176.870 0.155 0.000 1.079 1747 L CA -1.483 53.376 54.840 0.032 0.000 0.830 1747 L CB 0.411 42.503 42.059 0.055 0.000 1.200 1747 L HN 0.463 nan 8.230 nan 0.000 0.438 1748 P HA 0.026 nan 4.420 nan 0.000 0.268 1748 P C -1.295 176.076 177.300 0.118 0.000 1.204 1748 P CA -0.062 63.142 63.100 0.173 0.000 0.768 1748 P CB 0.683 32.381 31.700 -0.002 0.000 0.842 1749 Q N 1.557 121.437 119.800 0.132 0.000 2.227 1749 Q HA 0.230 4.569 4.340 -0.002 0.000 0.245 1749 Q C 1.197 177.231 176.000 0.056 0.000 0.926 1749 Q CA -0.722 55.126 55.803 0.074 0.000 0.895 1749 Q CB 1.279 30.053 28.738 0.061 0.000 1.230 1749 Q HN 0.356 nan 8.270 nan 0.000 0.450 1750 K N 0.723 121.148 120.400 0.042 0.000 2.362 1750 K HA -0.089 4.230 4.320 -0.002 0.000 0.200 1750 K C 0.735 177.358 176.600 0.038 0.000 1.046 1750 K CA 0.718 57.028 56.287 0.038 0.000 0.952 1750 K CB 0.145 32.666 32.500 0.035 0.000 0.753 1750 K HN 0.375 nan 8.250 nan 0.000 0.466 1754 K N 2.247 122.668 120.400 0.035 0.000 2.034 1754 K HA -0.243 4.076 4.320 -0.002 0.000 0.214 1754 K C 1.581 178.213 176.600 0.054 0.000 1.051 1754 K CA 2.611 58.926 56.287 0.046 0.000 0.931 1754 K CB -0.031 32.500 32.500 0.052 0.000 0.715 1754 K HN 0.340 nan 8.250 nan 0.000 0.446 1755 E N -0.173 120.060 120.200 0.054 0.000 2.077 1755 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 1755 E C 2.234 178.904 176.600 0.117 0.000 0.989 1755 E CA 1.147 57.592 56.400 0.075 0.000 0.800 1755 E CB 0.062 29.793 29.700 0.051 0.000 0.746 1755 E HN 0.346 nan 8.360 nan 0.000 0.452 1756 Q N 0.083 119.933 119.800 0.083 0.000 2.297 1756 Q HA -0.023 4.316 4.340 -0.002 0.000 0.204 1756 Q C 2.133 178.224 176.000 0.152 0.000 0.962 1756 Q CA 0.744 56.623 55.803 0.127 0.000 0.879 1756 Q CB 0.019 28.779 28.738 0.036 0.000 0.947 1756 Q HN 0.421 nan 8.270 nan 0.000 0.462 1757 I N 0.447 121.048 120.570 0.051 0.000 2.252 1757 I HA -0.236 3.933 4.170 -0.002 0.000 0.245 1757 I C 2.081 178.232 176.117 0.057 0.000 1.102 1757 I CA 0.881 62.159 61.300 -0.037 0.000 1.385 1757 I CB -0.005 37.893 38.000 -0.171 0.000 1.064 1757 I HN 0.094 nan 8.210 nan 0.000 0.414 1758 E N 0.308 120.570 120.200 0.105 0.000 2.031 1758 E HA -0.279 4.070 4.350 -0.002 0.000 0.193 1758 E C 1.715 178.416 176.600 0.168 0.000 0.994 1758 E CA 1.460 57.931 56.400 0.119 0.000 0.800 1758 E CB -0.472 29.295 29.700 0.112 0.000 0.752 1758 E HN 0.461 nan 8.360 nan 0.000 0.447 1759 W N 0.721 122.066 121.300 0.076 0.000 2.305 1759 W HA -0.181 4.478 4.660 -0.001 0.000 0.308 1759 W C 1.601 178.264 176.519 0.240 0.000 1.226 1759 W CA 1.611 59.050 57.345 0.157 0.000 1.253 1759 W CB -0.233 29.305 29.460 0.130 0.000 1.146 1759 W HN 0.078 nan 8.180 nan 0.000 0.507 1760 L N -0.122 121.285 121.223 0.305 0.000 2.478 1760 L HA -0.098 4.241 4.340 -0.002 0.000 0.223 1760 L C 2.095 179.049 176.870 0.141 0.000 1.140 1760 L CA 0.504 55.481 54.840 0.228 0.000 0.842 1760 L CB -0.467 41.725 42.059 0.222 0.000 0.953 1760 L HN 0.052 nan 8.230 nan 0.000 0.452 1761 I N -0.097 120.516 120.570 0.071 0.000 2.584 1761 I HA -0.188 3.981 4.170 -0.002 0.000 0.255 1761 I C 2.480 178.575 176.117 -0.036 0.000 1.145 1761 I CA 0.900 62.227 61.300 0.045 0.000 1.462 1761 I CB 0.036 38.076 38.000 0.067 0.000 1.102 1761 I HN 0.360 nan 8.210 nan 0.000 0.433 1762 E N -0.143 119.987 120.200 -0.117 0.000 2.122 1762 E HA -0.157 4.192 4.350 -0.002 0.000 0.190 1762 E C 1.256 177.646 176.600 -0.350 0.000 0.977 1762 E CA 0.770 57.036 56.400 -0.223 0.000 0.820 1762 E CB -0.369 29.177 29.700 -0.257 0.000 0.770 1762 E HN 0.538 nan 8.360 nan 0.000 0.462 1763 H N 1.956 120.830 119.070 -0.327 0.000 2.612 1763 H HA 0.108 4.663 4.556 -0.002 0.000 0.285 1763 H C -0.186 174.889 175.328 -0.421 0.000 1.066 1763 H CA 0.447 56.256 56.048 -0.398 0.000 1.180 1763 H CB 0.092 29.495 29.762 -0.599 0.000 1.312 1763 H HN 0.068 nan 8.280 nan 0.000 0.606 1764 K N -0.213 120.062 120.400 -0.208 0.000 3.451 1764 K HA -0.252 4.067 4.320 -0.002 0.000 0.273 1764 K C -0.151 176.286 176.600 -0.272 0.000 0.944 1764 K CA 0.542 56.706 56.287 -0.205 0.000 0.734 1764 K CB -2.159 30.205 32.500 -0.227 0.000 1.437 1764 K HN 0.560 nan 8.250 nan 0.000 0.454 1765 Y N -0.990 119.289 120.300 -0.035 0.000 2.581 1765 Y HA 0.368 4.917 4.550 -0.002 0.000 0.271 1765 Y C 1.325 177.248 175.900 0.038 0.000 1.100 1765 Y CA -0.151 57.950 58.100 0.002 0.000 1.281 1765 Y CB 0.856 39.358 38.460 0.069 0.000 1.237 1765 Y HN 0.220 nan 8.280 nan 0.000 0.514 1766 I N 0.396 121.096 120.570 0.216 0.000 2.828 1766 I HA 0.379 4.548 4.170 -0.002 0.000 0.302 1766 I C -0.907 175.301 176.117 0.152 0.000 1.101 1766 I CA -1.096 60.322 61.300 0.197 0.000 1.031 1766 I CB 2.443 40.544 38.000 0.168 0.000 1.231 1766 I HN -0.124 nan 8.210 nan 0.000 0.427 1767 R N 5.547 126.154 120.500 0.179 0.000 2.725 1767 R HA 0.574 4.913 4.340 -0.002 0.000 0.277 1767 R C -1.443 174.967 176.300 0.184 0.000 0.987 1767 R CA -0.759 55.426 56.100 0.141 0.000 0.901 1767 R CB 2.101 32.443 30.300 0.070 0.000 1.207 1767 R HN 0.646 nan 8.270 nan 0.000 0.463 1768 R N 1.591 122.173 120.500 0.135 0.000 2.404 1768 R HA 0.144 4.483 4.340 -0.002 0.000 0.291 1768 R C -0.425 175.883 176.300 0.012 0.000 1.025 1768 R CA -0.621 55.518 56.100 0.065 0.000 0.991 1768 R CB 0.844 31.170 30.300 0.043 0.000 1.053 1768 R HN 0.530 nan 8.270 nan 0.000 0.479 1769 D N 2.005 122.385 120.400 -0.033 0.000 2.382 1769 D HA -0.048 4.591 4.640 -0.002 0.000 0.245 1769 D C 0.979 177.262 176.300 -0.028 0.000 1.120 1769 D CA 0.140 54.123 54.000 -0.027 0.000 0.890 1769 D CB 1.082 41.855 40.800 -0.044 0.000 1.201 1769 D HN 0.619 nan 8.370 nan 0.000 0.433 1770 E N 1.147 121.336 120.200 -0.017 0.000 2.106 1770 E HA -0.152 4.197 4.350 -0.002 0.000 0.192 1770 E C 1.516 178.103 176.600 -0.022 0.000 0.984 1770 E CA 0.588 56.978 56.400 -0.016 0.000 0.806 1770 E CB -0.114 29.580 29.700 -0.011 0.000 0.750 1770 E HN 0.216 nan 8.360 nan 0.000 0.458 1771 S N 0.358 116.045 115.700 -0.023 0.000 2.423 1771 S HA -0.109 4.360 4.470 -0.002 0.000 0.231 1771 S C 0.005 174.584 174.600 -0.035 0.000 1.014 1771 S CA 1.009 59.194 58.200 -0.024 0.000 0.965 1771 S CB -0.012 63.176 63.200 -0.020 0.000 0.785 1771 S HN 0.304 nan 8.310 nan 0.000 0.495 1772 D N -0.238 120.132 120.400 -0.050 0.000 2.375 1772 D HA 0.269 4.908 4.640 -0.002 0.000 0.241 1772 D C 0.884 177.123 176.300 -0.102 0.000 1.361 1772 D CA -0.406 53.551 54.000 -0.072 0.000 0.995 1772 D CB 0.128 40.880 40.800 -0.081 0.000 1.312 1772 D HN 0.108 nan 8.370 nan 0.000 0.576 1773 I N 1.658 122.178 120.570 -0.083 0.000 2.229 1773 I HA -0.323 3.846 4.170 -0.002 0.000 0.250 1773 I C 1.244 177.256 176.117 -0.173 0.000 1.096 1773 I CA 1.091 62.337 61.300 -0.089 0.000 1.358 1773 I CB -0.100 37.868 38.000 -0.054 0.000 1.047 1773 I HN 0.398 nan 8.210 nan 0.000 0.422 1774 N N 0.274 118.848 118.700 -0.210 0.000 2.452 1774 N HA 0.129 4.868 4.740 -0.002 0.000 0.296 1774 N C 0.002 175.199 175.510 -0.521 0.000 1.304 1774 N CA 0.225 53.050 53.050 -0.374 0.000 0.956 1774 N CB 0.157 38.516 38.487 -0.213 0.000 1.106 1774 N HN -0.030 nan 8.380 nan 0.000 0.555 1775 T N 0.709 114.884 114.554 -0.632 0.000 0.915 1775 T HA -0.163 4.185 4.350 -0.002 0.000 0.734 1775 T C -1.011 173.390 174.700 -0.498 0.000 0.985 1775 T CA 0.378 62.222 62.100 -0.427 0.000 3.878 1775 T CB -1.470 67.286 68.868 -0.187 0.000 2.195 1775 T HN 0.293 nan 8.240 nan 0.000 0.387 1776 F N 2.846 122.822 119.950 0.044 0.000 2.440 1776 F HA 0.769 5.295 4.527 -0.002 0.000 0.328 1776 F C 1.032 176.875 175.800 0.072 0.000 1.070 1776 F CA -1.370 56.665 58.000 0.059 0.000 1.011 1776 F CB 1.024 40.067 39.000 0.072 0.000 1.226 1776 F HN 0.350 nan 8.300 nan 0.000 0.491 1777 I N 1.675 122.400 120.570 0.258 0.000 2.474 1777 I HA 0.238 4.407 4.170 -0.002 0.000 0.294 1777 I C -0.635 175.630 176.117 0.247 0.000 1.005 1777 I CA -0.994 60.423 61.300 0.195 0.000 1.113 1777 I CB 1.590 39.659 38.000 0.115 0.000 1.289 1777 I HN 0.523 nan 8.210 nan 0.000 0.436 1780 A N 0.000 122.624 122.820 -0.327 0.000 2.254 1780 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 1780 A CA 0.000 51.873 52.037 -0.273 0.000 0.836 1780 A CB 0.000 18.877 19.000 -0.205 0.000 0.831 1780 A HN 0.000 nan 8.150 nan 0.000 0.486