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 1a4m_1_D DATA FIRST_RESID 1504 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGEVGSPEV VREAVDILKT ERVGHGYHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ 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 1504 T HA 0.000 nan 4.350 nan 0.000 0.228 1504 T C 0.000 174.678 174.700 -0.036 0.000 1.109 1504 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 1504 T CB 0.000 68.855 68.868 -0.021 0.000 0.612 1505 P HA 0.380 nan 4.420 nan 0.000 0.268 1505 P C 0.299 177.580 177.300 -0.032 0.000 1.208 1505 P CA -0.055 63.002 63.100 -0.071 0.000 0.777 1505 P CB 0.398 32.031 31.700 -0.111 0.000 0.875 1506 A N 1.419 124.224 122.820 -0.026 0.000 1.935 1506 A HA 0.048 4.368 4.320 -0.000 0.000 0.214 1506 A C 0.549 178.221 177.584 0.147 0.000 1.178 1506 A CA 1.014 53.096 52.037 0.075 0.000 0.640 1506 A CB -0.453 18.604 19.000 0.096 0.000 0.825 1506 A HN 0.506 nan 8.150 nan 0.000 0.447 1507 F N 0.549 120.341 119.950 -0.264 0.000 2.959 1507 F HA 0.411 4.938 4.527 -0.000 0.000 0.379 1507 F C -0.478 175.146 175.800 -0.293 0.000 1.215 1507 F CA -1.726 56.103 58.000 -0.286 0.000 1.190 1507 F CB 0.634 39.272 39.000 -0.603 0.000 1.574 1507 F HN 0.044 nan 8.300 nan 0.000 0.575 1508 N N 5.008 123.476 118.700 -0.388 0.000 3.254 1508 N HA 0.172 4.912 4.740 -0.000 0.000 0.308 1508 N C -0.955 174.248 175.510 -0.512 0.000 1.281 1508 N CA 0.372 53.195 53.050 -0.378 0.000 1.212 1508 N CB -0.144 38.217 38.487 -0.210 0.000 1.478 1508 N HN 0.595 nan 8.380 nan 0.000 0.548 1509 K N 0.148 120.064 120.400 -0.808 0.000 2.533 1509 K HA 0.457 4.777 4.320 -0.000 0.000 0.272 1509 K C -2.741 173.652 176.600 -0.345 0.000 0.985 1509 K CA -1.880 54.024 56.287 -0.638 0.000 0.876 1509 K CB 1.997 33.918 32.500 -0.964 0.000 1.452 1509 K HN 0.050 nan 8.250 nan 0.000 0.439 1510 P HA -0.030 nan 4.420 nan 0.000 0.264 1510 P C -1.269 176.157 177.300 0.209 0.000 1.183 1510 P CA 0.407 63.540 63.100 0.055 0.000 0.763 1510 P CB 0.463 32.176 31.700 0.022 0.000 0.807 1511 K N 1.308 121.794 120.400 0.144 0.000 2.350 1511 K HA 0.672 4.992 4.320 -0.000 0.000 0.241 1511 K C -0.900 175.812 176.600 0.187 0.000 0.994 1511 K CA -1.203 55.220 56.287 0.227 0.000 0.839 1511 K CB 2.028 34.616 32.500 0.147 0.000 1.244 1511 K HN 0.100 nan 8.250 nan 0.000 0.443 1512 V N 1.259 121.306 119.914 0.222 0.000 2.531 1512 V HA 0.264 4.384 4.120 -0.000 0.000 0.301 1512 V C -0.867 175.332 176.094 0.176 0.000 1.034 1512 V CA -0.667 61.754 62.300 0.201 0.000 0.865 1512 V CB 1.559 33.516 31.823 0.224 0.000 0.995 1512 V HN 0.728 nan 8.190 nan 0.000 0.424 1513 E N 3.407 123.676 120.200 0.114 0.000 2.165 1513 E HA 0.432 4.782 4.350 -0.000 0.000 0.266 1513 E C -0.625 176.014 176.600 0.065 0.000 0.889 1513 E CA -0.634 55.838 56.400 0.120 0.000 0.756 1513 E CB 1.659 31.435 29.700 0.128 0.000 1.131 1513 E HN 0.488 nan 8.360 nan 0.000 0.411 1514 L N 3.096 124.380 121.223 0.103 0.000 2.664 1514 L HA 0.210 4.550 4.340 -0.000 0.000 0.233 1514 L C -0.022 176.911 176.870 0.105 0.000 1.113 1514 L CA 0.349 55.222 54.840 0.055 0.000 0.896 1514 L CB -0.178 41.888 42.059 0.011 0.000 1.163 1514 L HN 0.540 nan 8.230 nan 0.000 0.497 1515 H N -0.598 118.495 119.070 0.038 0.000 2.607 1515 H HA 0.627 5.183 4.556 -0.000 0.000 0.248 1515 H C -1.516 173.855 175.328 0.072 0.000 1.355 1515 H CA -0.225 55.827 56.048 0.007 0.000 1.524 1515 H CB 1.078 30.825 29.762 -0.026 0.000 1.563 1515 H HN -0.201 nan 8.280 nan 0.000 0.509 1516 V N 4.847 124.779 119.914 0.031 0.000 2.851 1516 V HA 0.305 4.425 4.120 -0.000 0.000 0.307 1516 V C -1.326 174.790 176.094 0.036 0.000 1.129 1516 V CA -0.581 61.824 62.300 0.175 0.000 0.932 1516 V CB 1.869 33.901 31.823 0.347 0.000 1.024 1516 V HN 0.753 nan 8.190 nan 0.000 0.426 1517 H N 6.028 125.234 119.070 0.227 0.000 2.527 1517 H HA 0.273 4.829 4.556 -0.000 0.000 0.321 1517 H C 0.614 176.027 175.328 0.142 0.000 1.087 1517 H CA -0.073 56.097 56.048 0.204 0.000 1.337 1517 H CB 2.280 32.246 29.762 0.341 0.000 1.440 1517 H HN 0.690 nan 8.280 nan 0.000 0.490 1518 L N 3.667 124.963 121.223 0.120 0.000 2.017 1518 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 1518 L C 1.831 178.791 176.870 0.150 0.000 1.073 1518 L CA 1.950 56.748 54.840 -0.069 0.000 0.745 1518 L CB -0.501 41.428 42.059 -0.216 0.000 0.894 1518 L HN 0.691 nan 8.230 nan 0.000 0.432 1519 D N -1.352 119.214 120.400 0.276 0.000 2.350 1519 D HA -0.052 4.588 4.640 -0.000 0.000 0.216 1519 D C 1.724 178.296 176.300 0.454 0.000 0.968 1519 D CA 1.027 55.249 54.000 0.370 0.000 0.894 1519 D CB -0.726 40.331 40.800 0.428 0.000 0.909 1519 D HN 0.429 nan 8.370 nan 0.000 0.520 1520 G N -0.897 108.156 108.800 0.422 0.000 3.393 1520 G HA2 0.426 4.386 3.960 -0.000 0.000 0.255 1520 G HA3 0.426 4.386 3.960 -0.000 0.000 0.255 1520 G C 0.632 175.643 174.900 0.184 0.000 1.097 1520 G CA 0.070 45.327 45.100 0.261 0.000 0.780 1520 G HN 0.416 nan 8.290 nan 0.000 0.540 1521 A N 0.545 123.493 122.820 0.212 0.000 2.585 1521 A HA 0.581 4.901 4.320 -0.000 0.000 0.281 1521 A C 0.163 177.851 177.584 0.173 0.000 0.945 1521 A CA -0.376 51.803 52.037 0.237 0.000 1.031 1521 A CB -0.024 19.271 19.000 0.492 0.000 1.221 1521 A HN 0.212 nan 8.150 nan 0.000 0.496 1522 I N 0.467 121.062 120.570 0.042 0.000 2.532 1522 I HA 0.184 4.354 4.170 -0.000 0.000 0.292 1522 I C 0.317 176.406 176.117 -0.047 0.000 1.014 1522 I CA -0.537 60.769 61.300 0.009 0.000 1.340 1522 I CB 1.292 39.268 38.000 -0.041 0.000 1.422 1522 I HN 0.148 nan 8.210 nan 0.000 0.528 1523 K N 5.880 126.281 120.400 0.001 0.000 2.379 1523 K HA 0.137 4.457 4.320 -0.000 0.000 0.284 1523 K C -1.733 174.846 176.600 -0.036 0.000 1.044 1523 K CA -1.218 55.062 56.287 -0.012 0.000 0.974 1523 K CB 0.797 33.309 32.500 0.021 0.000 0.962 1523 K HN 0.270 nan 8.250 nan 0.000 0.474 1524 P HA -0.166 nan 4.420 nan 0.000 0.218 1524 P C 0.249 177.539 177.300 -0.018 0.000 1.148 1524 P CA 1.182 64.239 63.100 -0.071 0.000 0.822 1524 P CB 0.343 32.004 31.700 -0.066 0.000 0.784 1525 E N -1.288 118.911 120.200 -0.002 0.000 2.106 1525 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 1525 E C 1.917 178.555 176.600 0.064 0.000 0.984 1525 E CA 1.446 57.855 56.400 0.015 0.000 0.806 1525 E CB -1.304 28.390 29.700 -0.010 0.000 0.750 1525 E HN 0.205 nan 8.360 nan 0.000 0.458 1526 T N 0.571 115.179 114.554 0.091 0.000 2.904 1526 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 1526 T C 1.887 176.779 174.700 0.320 0.000 1.059 1526 T CA 0.630 62.859 62.100 0.215 0.000 1.137 1526 T CB -0.134 68.873 68.868 0.232 0.000 0.879 1526 T HN 0.067 nan 8.240 nan 0.000 0.467 1527 I N 0.655 121.331 120.570 0.176 0.000 2.113 1527 I HA -0.140 4.030 4.170 -0.000 0.000 0.238 1527 I C 2.336 178.538 176.117 0.142 0.000 1.070 1527 I CA 0.944 62.334 61.300 0.150 0.000 1.332 1527 I CB -0.350 37.661 38.000 0.017 0.000 1.044 1527 I HN 0.166 nan 8.210 nan 0.000 0.402 1528 L N 0.329 121.604 121.223 0.085 0.000 2.012 1528 L HA -0.301 4.039 4.340 -0.000 0.000 0.210 1528 L C 2.516 179.421 176.870 0.058 0.000 1.073 1528 L CA 1.976 56.849 54.840 0.056 0.000 0.748 1528 L CB -1.047 41.032 42.059 0.034 0.000 0.891 1528 L HN 0.269 nan 8.230 nan 0.000 0.431 1529 Y N -0.550 119.717 120.300 -0.055 0.000 2.114 1529 Y HA -0.331 4.219 4.550 -0.000 0.000 0.282 1529 Y C 2.147 177.920 175.900 -0.212 0.000 1.165 1529 Y CA 2.174 60.170 58.100 -0.172 0.000 1.148 1529 Y CB -0.697 37.593 38.460 -0.284 0.000 0.972 1529 Y HN 0.235 nan 8.280 nan 0.000 0.504 1530 F N -0.159 119.718 119.950 -0.122 0.000 2.259 1530 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 1530 F C 2.585 178.298 175.800 -0.145 0.000 1.088 1530 F CA 1.186 59.067 58.000 -0.198 0.000 1.358 1530 F CB -1.033 37.939 39.000 -0.046 0.000 1.040 1530 F HN 0.124 nan 8.300 nan 0.000 0.505 1531 G N 0.102 108.946 108.800 0.074 0.000 2.433 1531 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 1531 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 1531 G C 1.757 176.643 174.900 -0.023 0.000 1.186 1531 G CA 0.739 45.858 45.100 0.033 0.000 0.779 1531 G HN 0.244 nan 8.290 nan 0.000 0.543 1532 K N 0.203 120.562 120.400 -0.069 0.000 2.026 1532 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 1532 K C 2.456 178.976 176.600 -0.133 0.000 1.048 1532 K CA 1.321 57.553 56.287 -0.091 0.000 0.929 1532 K CB -0.142 32.302 32.500 -0.094 0.000 0.713 1532 K HN 0.244 nan 8.250 nan 0.000 0.439 1533 K N 1.077 121.326 120.400 -0.251 0.000 2.097 1533 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 1533 K C 1.898 178.440 176.600 -0.098 0.000 1.049 1533 K CA 1.289 57.423 56.287 -0.256 0.000 0.933 1533 K CB 0.149 32.340 32.500 -0.516 0.000 0.717 1533 K HN 0.052 nan 8.250 nan 0.000 0.442 1534 R N -1.123 119.355 120.500 -0.037 0.000 2.246 1534 R HA 0.077 4.417 4.340 -0.000 0.000 0.199 1534 R C 0.764 177.065 176.300 0.002 0.000 0.984 1534 R CA 0.594 56.700 56.100 0.010 0.000 1.015 1534 R CB 0.440 30.769 30.300 0.049 0.000 0.930 1534 R HN 0.400 nan 8.270 nan 0.000 0.475 1535 G N 1.943 110.737 108.800 -0.011 0.000 2.212 1535 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.255 1535 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.255 1535 G C -0.068 174.837 174.900 0.008 0.000 1.062 1535 G CA -0.142 44.955 45.100 -0.005 0.000 0.815 1535 G HN 0.220 nan 8.290 nan 0.000 0.497 1536 I N 0.768 121.346 120.570 0.013 0.000 2.404 1536 I HA 0.599 4.769 4.170 -0.000 0.000 0.293 1536 I C 1.030 177.161 176.117 0.022 0.000 0.992 1536 I CA -0.762 60.551 61.300 0.022 0.000 1.149 1536 I CB 1.771 39.787 38.000 0.027 0.000 1.315 1536 I HN 0.346 nan 8.210 nan 0.000 0.446 1537 A N 6.475 129.311 122.820 0.027 0.000 2.547 1537 A HA 0.403 4.723 4.320 -0.000 0.000 0.233 1537 A C -0.671 176.932 177.584 0.031 0.000 1.067 1537 A CA 0.423 52.477 52.037 0.027 0.000 0.763 1537 A CB 0.223 19.244 19.000 0.035 0.000 1.007 1537 A HN 0.527 nan 8.150 nan 0.000 0.506 1538 L N 1.978 123.213 121.223 0.020 0.000 2.466 1538 L HA 0.548 4.888 4.340 -0.000 0.000 0.258 1538 L C -1.631 175.223 176.870 -0.026 0.000 0.973 1538 L CA -1.108 53.738 54.840 0.010 0.000 0.826 1538 L CB 2.102 44.164 42.059 0.004 0.000 1.372 1538 L HN 0.557 nan 8.230 nan 0.000 0.409 1539 P HA 0.140 nan 4.420 nan 0.000 0.239 1539 P C -0.427 176.781 177.300 -0.153 0.000 1.184 1539 P CA 0.457 63.448 63.100 -0.181 0.000 0.760 1539 P CB 0.616 31.983 31.700 -0.555 0.000 0.884 1540 A N -0.304 122.453 122.820 -0.105 0.000 2.606 1540 A HA 0.474 4.794 4.320 -0.000 0.000 0.293 1540 A C -0.260 177.298 177.584 -0.044 0.000 1.082 1540 A CA -0.554 51.437 52.037 -0.076 0.000 0.685 1540 A CB 0.733 19.679 19.000 -0.090 0.000 1.284 1540 A HN -0.211 nan 8.150 nan 0.000 0.408 1541 D N 0.429 120.810 120.400 -0.031 0.000 2.407 1541 D HA 0.129 4.769 4.640 -0.000 0.000 0.208 1541 D C 0.597 176.887 176.300 -0.016 0.000 1.083 1541 D CA 1.481 55.469 54.000 -0.020 0.000 0.844 1541 D CB 0.806 41.597 40.800 -0.015 0.000 0.967 1541 D HN 0.754 nan 8.370 nan 0.000 0.506 1542 T N -2.406 112.136 114.554 -0.019 0.000 2.916 1542 T HA 0.311 4.661 4.350 -0.000 0.000 0.292 1542 T C 1.109 175.797 174.700 -0.019 0.000 1.055 1542 T CA -0.752 61.339 62.100 -0.015 0.000 1.009 1542 T CB 2.421 71.281 68.868 -0.013 0.000 1.118 1542 T HN -0.202 nan 8.240 nan 0.000 0.497 1543 V N 0.509 120.414 119.914 -0.014 0.000 2.809 1543 V HA 0.021 4.141 4.120 -0.000 0.000 0.256 1543 V C 2.204 178.286 176.094 -0.021 0.000 1.080 1543 V CA 2.299 64.588 62.300 -0.019 0.000 1.102 1543 V CB -0.934 30.881 31.823 -0.014 0.000 0.705 1543 V HN 1.034 nan 8.190 nan 0.000 0.475 1544 E N 0.621 120.811 120.200 -0.016 0.000 2.031 1544 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 1544 E C 2.049 178.640 176.600 -0.015 0.000 0.994 1544 E CA 2.077 58.470 56.400 -0.012 0.000 0.800 1544 E CB -0.424 29.271 29.700 -0.008 0.000 0.752 1544 E HN 0.605 nan 8.360 nan 0.000 0.447 1545 E N -0.127 120.060 120.200 -0.021 0.000 2.358 1545 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 1545 E C 1.860 178.430 176.600 -0.050 0.000 1.010 1545 E CA 0.197 56.579 56.400 -0.029 0.000 0.856 1545 E CB -0.058 29.624 29.700 -0.030 0.000 0.795 1545 E HN 0.282 nan 8.360 nan 0.000 0.504 1546 L N 0.981 122.172 121.223 -0.053 0.000 2.044 1546 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 1546 L C 2.173 179.004 176.870 -0.065 0.000 1.075 1546 L CA 1.557 56.352 54.840 -0.075 0.000 0.747 1546 L CB -0.272 41.751 42.059 -0.062 0.000 0.903 1546 L HN -0.069 nan 8.230 nan 0.000 0.435 1547 R N -0.697 119.779 120.500 -0.040 0.000 2.105 1547 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 1547 R C 1.920 178.223 176.300 0.006 0.000 1.135 1547 R CA 1.375 57.463 56.100 -0.020 0.000 0.967 1547 R CB -0.413 29.883 30.300 -0.006 0.000 0.861 1547 R HN 0.431 nan 8.270 nan 0.000 0.442 1548 N N 0.763 119.464 118.700 0.002 0.000 2.188 1548 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 1548 N C 1.719 177.241 175.510 0.020 0.000 1.018 1548 N CA 0.974 54.036 53.050 0.020 0.000 0.858 1548 N CB -0.023 38.471 38.487 0.013 0.000 0.989 1548 N HN 0.245 nan 8.380 nan 0.000 0.426 1549 I N 0.174 120.726 120.570 -0.030 0.000 2.480 1549 I HA -0.004 4.165 4.170 -0.000 0.000 0.251 1549 I C 1.572 177.699 176.117 0.017 0.000 1.124 1549 I CA 0.611 61.877 61.300 -0.057 0.000 1.444 1549 I CB 0.174 38.042 38.000 -0.221 0.000 1.098 1549 I HN -0.034 nan 8.210 nan 0.000 0.428 1550 I N 0.829 121.402 120.570 0.006 0.000 2.406 1550 I HA -0.008 4.162 4.170 -0.000 0.000 0.249 1550 I C 1.587 177.784 176.117 0.133 0.000 1.122 1550 I CA 0.473 61.857 61.300 0.140 0.000 1.431 1550 I CB -0.832 37.196 38.000 0.047 0.000 1.087 1550 I HN 0.225 nan 8.210 nan 0.000 0.424 1551 G N 1.723 110.579 108.800 0.095 0.000 2.599 1551 G HA2 0.549 4.509 3.960 -0.000 0.000 0.264 1551 G HA3 0.549 4.509 3.960 -0.000 0.000 0.264 1551 G C -0.364 174.641 174.900 0.174 0.000 1.200 1551 G CA -0.410 44.769 45.100 0.131 0.000 0.896 1551 G HN 0.186 nan 8.290 nan 0.000 0.536 1552 M N -0.105 119.631 119.600 0.227 0.000 2.421 1552 M HA 0.441 4.921 4.480 -0.000 0.000 0.287 1552 M C -1.515 174.931 176.300 0.242 0.000 1.183 1552 M CA -0.922 54.508 55.300 0.217 0.000 0.916 1552 M CB 2.935 35.672 32.600 0.229 0.000 1.701 1552 M HN 0.409 nan 8.290 nan 0.000 0.470 1553 D N 0.772 121.292 120.400 0.201 0.000 2.620 1553 D HA 0.335 4.975 4.640 -0.000 0.000 0.260 1553 D C -0.747 175.672 176.300 0.199 0.000 1.367 1553 D CA -0.224 53.931 54.000 0.258 0.000 0.805 1553 D CB 0.652 41.617 40.800 0.276 0.000 1.096 1553 D HN 0.702 nan 8.370 nan 0.000 0.488 1554 K N 0.814 121.258 120.400 0.074 0.000 2.523 1554 K HA 0.444 4.764 4.320 -0.000 0.000 0.257 1554 K C -3.032 173.459 176.600 -0.181 0.000 0.932 1554 K CA -1.771 54.507 56.287 -0.016 0.000 0.812 1554 K CB 2.787 35.301 32.500 0.024 0.000 1.326 1554 K HN -0.224 nan 8.250 nan 0.000 0.433 1555 P HA 0.060 nan 4.420 nan 0.000 0.266 1555 P C -0.531 176.652 177.300 -0.195 0.000 1.195 1555 P CA 0.111 62.939 63.100 -0.453 0.000 0.768 1555 P CB 0.668 32.009 31.700 -0.599 0.000 0.838 1556 L N 0.821 121.971 121.223 -0.121 0.000 2.825 1556 L HA 0.536 4.876 4.340 -0.000 0.000 0.222 1556 L C 0.393 177.253 176.870 -0.017 0.000 1.823 1556 L CA -0.268 54.557 54.840 -0.024 0.000 2.706 1556 L CB 0.408 42.506 42.059 0.064 0.000 2.541 1556 L HN 0.462 nan 8.230 nan 0.000 0.690 1557 S N -1.532 114.197 115.700 0.049 0.000 2.596 1557 S HA 0.280 4.750 4.470 -0.000 0.000 0.270 1557 S C -0.018 174.665 174.600 0.138 0.000 1.155 1557 S CA -0.622 57.610 58.200 0.053 0.000 0.827 1557 S CB 1.591 64.813 63.200 0.036 0.000 1.130 1557 S HN 0.340 nan 8.310 nan 0.000 0.467 1558 L N 1.476 122.780 121.223 0.135 0.000 2.012 1558 L HA 0.187 4.527 4.340 -0.000 0.000 0.210 1558 L C -1.161 175.850 176.870 0.235 0.000 1.073 1558 L CA 1.952 56.933 54.840 0.235 0.000 0.748 1558 L CB -1.472 40.686 42.059 0.166 0.000 0.891 1558 L HN 0.606 nan 8.230 nan 0.000 0.431 1559 P HA -0.084 nan 4.420 nan 0.000 0.216 1559 P C 1.615 178.950 177.300 0.059 0.000 1.153 1559 P CA 1.727 64.863 63.100 0.060 0.000 0.848 1559 P CB -0.356 31.359 31.700 0.024 0.000 0.787 1560 G N -0.661 108.189 108.800 0.084 0.000 2.442 1560 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 1560 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 1560 G C 1.397 176.369 174.900 0.121 0.000 1.141 1560 G CA 0.466 45.612 45.100 0.076 0.000 0.763 1560 G HN 0.203 nan 8.290 nan 0.000 0.554 1561 F N 1.389 121.391 119.950 0.087 0.000 2.102 1561 F HA 0.055 4.582 4.527 -0.000 0.000 0.298 1561 F C 2.330 178.243 175.800 0.188 0.000 1.105 1561 F CA 1.074 59.161 58.000 0.145 0.000 1.239 1561 F CB -0.434 38.690 39.000 0.207 0.000 0.991 1561 F HN 0.052 nan 8.300 nan 0.000 0.474 1562 L N 0.305 121.387 121.223 -0.235 0.000 2.191 1562 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 1562 L C 2.669 179.480 176.870 -0.098 0.000 1.103 1562 L CA 0.955 55.628 54.840 -0.279 0.000 0.769 1562 L CB -1.121 40.849 42.059 -0.147 0.000 0.908 1562 L HN 0.309 nan 8.230 nan 0.000 0.438 1563 A N -0.531 122.230 122.820 -0.099 0.000 2.121 1563 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 1563 A C 2.203 179.656 177.584 -0.220 0.000 1.154 1563 A CA 1.015 52.979 52.037 -0.122 0.000 0.679 1563 A CB -0.202 18.723 19.000 -0.125 0.000 0.795 1563 A HN 0.197 nan 8.150 nan 0.000 0.458 1564 K N -0.615 119.674 120.400 -0.186 0.000 2.148 1564 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 1564 K C 1.357 177.807 176.600 -0.250 0.000 1.050 1564 K CA 0.958 57.121 56.287 -0.207 0.000 0.942 1564 K CB -0.552 31.884 32.500 -0.107 0.000 0.724 1564 K HN 0.565 nan 8.250 nan 0.000 0.446 1565 F N 2.403 122.116 119.950 -0.395 0.000 2.216 1565 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 1565 F C 1.836 177.174 175.800 -0.769 0.000 1.085 1565 F CA 1.103 58.655 58.000 -0.747 0.000 1.326 1565 F CB -0.509 38.245 39.000 -0.411 0.000 1.027 1565 F HN 0.043 nan 8.300 nan 0.000 0.497 1566 D N -0.787 119.507 120.400 -0.177 0.000 2.182 1566 D HA -0.221 4.419 4.640 -0.000 0.000 0.201 1566 D C 2.091 178.305 176.300 -0.142 0.000 0.986 1566 D CA 1.350 55.303 54.000 -0.078 0.000 0.847 1566 D CB -0.601 40.187 40.800 -0.021 0.000 0.942 1566 D HN 0.248 nan 8.370 nan 0.000 0.467 1567 Y N -0.107 120.100 120.300 -0.155 0.000 2.181 1567 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 1567 Y C 2.214 178.075 175.900 -0.066 0.000 1.146 1567 Y CA 0.886 58.950 58.100 -0.059 0.000 1.164 1567 Y CB -0.850 37.639 38.460 0.048 0.000 0.982 1567 Y HN 0.260 nan 8.280 nan 0.000 0.515 1568 Y N -5.318 114.968 120.300 -0.024 0.000 2.535 1568 Y HA 0.225 4.775 4.550 -0.000 0.000 0.264 1568 Y C 1.877 177.620 175.900 -0.263 0.000 1.087 1568 Y CA -0.125 57.905 58.100 -0.117 0.000 1.285 1568 Y CB -0.861 37.547 38.460 -0.088 0.000 1.200 1568 Y HN -0.219 nan 8.280 nan 0.000 0.514 1569 M N 1.492 120.603 119.600 -0.815 0.000 2.143 1569 M HA -0.112 4.368 4.480 -0.000 0.000 0.258 1569 M C -0.834 175.008 176.300 -0.764 0.000 1.071 1569 M CA 1.622 56.385 55.300 -0.895 0.000 1.088 1569 M CB -2.126 29.484 32.600 -1.649 0.000 1.360 1569 M HN 0.238 nan 8.290 nan 0.000 0.404 1570 P HA -0.068 nan 4.420 nan 0.000 0.220 1570 P C 1.868 179.094 177.300 -0.123 0.000 1.148 1570 P CA 0.871 63.805 63.100 -0.277 0.000 0.803 1570 P CB -0.039 31.602 31.700 -0.099 0.000 0.782 1571 V N -0.795 119.059 119.914 -0.100 0.000 2.719 1571 V HA -0.128 3.992 4.120 -0.000 0.000 0.252 1571 V C 1.954 178.012 176.094 -0.060 0.000 1.065 1571 V CA 1.383 63.674 62.300 -0.016 0.000 1.086 1571 V CB -0.615 31.241 31.823 0.055 0.000 0.700 1571 V HN 0.044 nan 8.190 nan 0.000 0.467 1572 I N -0.351 120.154 120.570 -0.108 0.000 2.947 1572 I HA 0.250 4.420 4.170 -0.000 0.000 0.263 1572 I C 1.522 177.555 176.117 -0.141 0.000 1.130 1572 I CA 0.619 61.822 61.300 -0.162 0.000 1.448 1572 I CB -1.303 36.644 38.000 -0.087 0.000 1.222 1572 I HN 0.205 nan 8.210 nan 0.000 0.453 1573 A N 1.125 123.887 122.820 -0.097 0.000 2.584 1573 A HA 0.305 4.625 4.320 -0.000 0.000 0.239 1573 A C 1.524 179.107 177.584 -0.002 0.000 1.043 1573 A CA 1.075 53.110 52.037 -0.002 0.000 0.756 1573 A CB -0.691 18.381 19.000 0.119 0.000 0.963 1573 A HN 0.923 nan 8.150 nan 0.000 0.511 1574 G N 0.372 109.172 108.800 -0.001 0.000 2.162 1574 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 1574 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 1574 G C 0.408 175.283 174.900 -0.041 0.000 0.976 1574 G CA 0.511 45.607 45.100 -0.007 0.000 0.655 1574 G HN 1.889 nan 8.290 nan 0.000 0.533 1575 C N 1.468 120.712 119.300 -0.094 0.000 2.258 1575 C HA 0.665 5.125 4.460 -0.000 0.000 0.321 1575 C C 2.055 176.962 174.990 -0.139 0.000 1.168 1575 C CA -0.449 58.491 59.018 -0.131 0.000 1.531 1575 C CB -0.380 27.212 27.740 -0.248 0.000 2.095 1575 C HN 0.538 nan 8.230 nan 0.000 0.449 1576 R N 1.765 122.220 120.500 -0.074 0.000 2.115 1576 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 1576 R C 2.102 178.366 176.300 -0.059 0.000 1.133 1576 R CA 2.393 58.460 56.100 -0.055 0.000 0.935 1576 R CB -0.253 30.035 30.300 -0.020 0.000 0.853 1576 R HN 0.882 nan 8.270 nan 0.000 0.433 1577 E N 0.424 120.607 120.200 -0.028 0.000 2.070 1577 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 1577 E C 1.918 178.499 176.600 -0.031 0.000 1.004 1577 E CA 1.558 57.979 56.400 0.035 0.000 0.805 1577 E CB -0.073 29.719 29.700 0.153 0.000 0.744 1577 E HN 0.425 nan 8.360 nan 0.000 0.451 1578 A N 0.811 123.427 122.820 -0.340 0.000 1.897 1578 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 1578 A C 2.177 179.598 177.584 -0.271 0.000 1.181 1578 A CA 1.123 52.763 52.037 -0.662 0.000 0.620 1578 A CB -0.507 17.663 19.000 -1.384 0.000 0.821 1578 A HN 0.335 nan 8.150 nan 0.000 0.443 1579 I N -0.486 119.960 120.570 -0.206 0.000 2.208 1579 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 1579 I C 2.560 178.621 176.117 -0.094 0.000 1.097 1579 I CA 1.931 63.144 61.300 -0.145 0.000 1.363 1579 I CB -0.239 37.681 38.000 -0.134 0.000 1.051 1579 I HN 0.355 nan 8.210 nan 0.000 0.413 1580 K N 0.930 121.298 120.400 -0.053 0.000 2.097 1580 K HA -0.186 4.133 4.320 -0.000 0.000 0.205 1580 K C 2.411 179.049 176.600 0.063 0.000 1.050 1580 K CA 1.044 57.331 56.287 0.000 0.000 0.938 1580 K CB -0.021 32.485 32.500 0.010 0.000 0.718 1580 K HN 0.129 nan 8.250 nan 0.000 0.442 1581 R N 1.371 121.918 120.500 0.078 0.000 2.075 1581 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 1581 R C 2.372 178.784 176.300 0.187 0.000 1.126 1581 R CA 1.688 57.883 56.100 0.158 0.000 0.963 1581 R CB -0.427 30.011 30.300 0.231 0.000 0.858 1581 R HN 0.415 nan 8.270 nan 0.000 0.435 1582 I N -1.739 118.901 120.570 0.118 0.000 2.454 1582 I HA -0.065 4.105 4.170 -0.000 0.000 0.254 1582 I C 2.170 178.368 176.117 0.135 0.000 1.156 1582 I CA 1.519 62.888 61.300 0.116 0.000 1.433 1582 I CB -0.427 37.604 38.000 0.051 0.000 1.082 1582 I HN 0.048 nan 8.210 nan 0.000 0.432 1583 A N 0.995 123.874 122.820 0.098 0.000 1.872 1583 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 1583 A C 2.346 180.055 177.584 0.208 0.000 1.187 1583 A CA 1.412 53.508 52.037 0.098 0.000 0.614 1583 A CB -1.184 17.825 19.000 0.015 0.000 0.826 1583 A HN 0.625 nan 8.150 nan 0.000 0.442 1584 Y N 1.022 121.390 120.300 0.114 0.000 2.145 1584 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 1584 Y C 2.201 178.186 175.900 0.142 0.000 1.145 1584 Y CA 2.345 60.537 58.100 0.153 0.000 1.148 1584 Y CB -0.263 38.281 38.460 0.141 0.000 0.981 1584 Y HN 0.450 nan 8.280 nan 0.000 0.507 1585 E N -0.644 119.698 120.200 0.235 0.000 2.204 1585 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 1585 E C 1.882 178.454 176.600 -0.047 0.000 0.990 1585 E CA 1.031 57.476 56.400 0.074 0.000 0.821 1585 E CB -0.409 29.384 29.700 0.154 0.000 0.750 1585 E HN 0.570 nan 8.360 nan 0.000 0.477 1586 F N 1.226 121.133 119.950 -0.073 0.000 2.102 1586 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 1586 F C 2.071 177.775 175.800 -0.160 0.000 1.105 1586 F CA 1.179 59.129 58.000 -0.082 0.000 1.239 1586 F CB -0.255 38.725 39.000 -0.034 0.000 0.991 1586 F HN -0.213 nan 8.300 nan 0.000 0.474 1587 V N 0.716 120.555 119.914 -0.124 0.000 2.287 1587 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 1587 V C 2.389 178.116 176.094 -0.612 0.000 1.053 1587 V CA 2.274 64.424 62.300 -0.251 0.000 1.027 1587 V CB -0.998 30.792 31.823 -0.055 0.000 0.646 1587 V HN 0.482 nan 8.190 nan 0.000 0.447 1588 E N -0.123 119.521 120.200 -0.928 0.000 2.070 1588 E HA -0.279 4.071 4.350 -0.000 0.000 0.197 1588 E C 2.248 178.372 176.600 -0.792 0.000 1.004 1588 E CA 1.959 57.490 56.400 -1.449 0.000 0.805 1588 E CB -0.178 28.882 29.700 -1.067 0.000 0.744 1588 E HN 0.554 nan 8.360 nan 0.000 0.451 1589 M N -0.086 119.186 119.600 -0.547 0.000 2.175 1589 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 1589 M C 2.173 178.230 176.300 -0.406 0.000 1.063 1589 M CA 1.041 56.097 55.300 -0.406 0.000 1.119 1589 M CB -0.017 32.378 32.600 -0.342 0.000 1.377 1589 M HN -0.059 nan 8.290 nan 0.000 0.415 1590 K N 0.389 120.483 120.400 -0.509 0.000 2.155 1590 K HA 0.035 4.355 4.320 -0.000 0.000 0.203 1590 K C 1.998 178.437 176.600 -0.267 0.000 1.052 1590 K CA 1.318 57.367 56.287 -0.398 0.000 0.948 1590 K CB -0.580 31.639 32.500 -0.467 0.000 0.728 1590 K HN 0.292 nan 8.250 nan 0.000 0.448 1591 A N 1.719 124.361 122.820 -0.298 0.000 1.898 1591 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 1591 A C 2.006 179.489 177.584 -0.168 0.000 1.181 1591 A CA 1.504 53.427 52.037 -0.191 0.000 0.620 1591 A CB -0.305 18.585 19.000 -0.184 0.000 0.819 1591 A HN 0.273 nan 8.150 nan 0.000 0.442 1592 K N -0.140 120.129 120.400 -0.219 0.000 2.211 1592 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 1592 K C 1.583 178.096 176.600 -0.144 0.000 1.047 1592 K CA 1.546 57.734 56.287 -0.164 0.000 0.935 1592 K CB -0.128 32.266 32.500 -0.177 0.000 0.728 1592 K HN 0.623 nan 8.250 nan 0.000 0.452 1593 E N -0.621 119.483 120.200 -0.160 0.000 2.435 1593 E HA -0.000 4.350 4.350 -0.000 0.000 0.195 1593 E C 0.753 177.267 176.600 -0.143 0.000 1.029 1593 E CA 0.361 56.673 56.400 -0.146 0.000 0.865 1593 E CB 0.417 30.032 29.700 -0.141 0.000 0.833 1593 E HN 0.475 nan 8.360 nan 0.000 0.510 1594 G N 1.043 109.768 108.800 -0.124 0.000 2.131 1594 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.223 1594 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.223 1594 G C 0.180 175.039 174.900 -0.067 0.000 0.990 1594 G CA -0.019 45.018 45.100 -0.105 0.000 0.671 1594 G HN 0.125 nan 8.290 nan 0.000 0.521 1595 V N 1.336 121.214 119.914 -0.060 0.000 2.530 1595 V HA 0.374 4.494 4.120 -0.000 0.000 0.282 1595 V C 1.814 177.917 176.094 0.014 0.000 1.048 1595 V CA 0.306 62.599 62.300 -0.011 0.000 0.997 1595 V CB 1.479 33.284 31.823 -0.029 0.000 0.987 1595 V HN 0.865 nan 8.190 nan 0.000 0.477 1596 V N 1.991 121.943 119.914 0.063 0.000 3.431 1596 V HA 0.317 4.437 4.120 -0.000 0.000 0.253 1596 V C 0.134 176.335 176.094 0.177 0.000 1.184 1596 V CA 0.418 62.770 62.300 0.087 0.000 1.104 1596 V CB -0.399 31.462 31.823 0.063 0.000 0.799 1596 V HN 0.682 nan 8.190 nan 0.000 0.462 1597 Y N 0.912 121.234 120.300 0.036 0.000 2.401 1597 Y HA 0.711 5.261 4.550 -0.000 0.000 0.330 1597 Y C -1.224 174.718 175.900 0.070 0.000 1.071 1597 Y CA -1.536 56.593 58.100 0.048 0.000 1.049 1597 Y CB 2.115 40.595 38.460 0.033 0.000 1.239 1597 Y HN -0.021 nan 8.280 nan 0.000 0.437 1598 V N 3.935 123.486 119.914 -0.606 0.000 2.760 1598 V HA 0.541 4.661 4.120 -0.000 0.000 0.309 1598 V C -0.947 174.829 176.094 -0.530 0.000 1.077 1598 V CA -1.138 60.922 62.300 -0.401 0.000 0.910 1598 V CB 1.993 33.806 31.823 -0.017 0.000 1.008 1598 V HN 0.748 nan 8.190 nan 0.000 0.424 1599 E N 2.214 122.214 120.200 -0.333 0.000 2.129 1599 E HA 0.608 4.958 4.350 -0.000 0.000 0.268 1599 E C -1.151 175.411 176.600 -0.064 0.000 0.900 1599 E CA -0.559 55.735 56.400 -0.176 0.000 0.755 1599 E CB 2.265 31.911 29.700 -0.091 0.000 1.117 1599 E HN 0.644 nan 8.360 nan 0.000 0.410 1600 V N 3.213 123.085 119.914 -0.070 0.000 2.472 1600 V HA 0.507 4.627 4.120 -0.000 0.000 0.290 1600 V C 0.188 176.245 176.094 -0.062 0.000 1.037 1600 V CA -0.974 61.231 62.300 -0.158 0.000 0.908 1600 V CB 1.050 32.584 31.823 -0.482 0.000 0.985 1600 V HN 0.642 nan 8.190 nan 0.000 0.454 1601 R N 3.424 123.880 120.500 -0.073 0.000 2.787 1601 R HA 0.884 5.224 4.340 -0.000 0.000 0.271 1601 R C -1.263 175.154 176.300 0.195 0.000 0.993 1601 R CA -0.705 55.378 56.100 -0.028 0.000 0.993 1601 R CB 1.943 32.142 30.300 -0.168 0.000 1.155 1601 R HN 0.888 nan 8.270 nan 0.000 0.486 1602 Y N -3.066 117.279 120.300 0.075 0.000 2.717 1602 Y HA 0.336 4.886 4.550 -0.000 0.000 0.345 1602 Y C -1.749 174.218 175.900 0.111 0.000 1.187 1602 Y CA -1.179 57.003 58.100 0.138 0.000 1.128 1602 Y CB 0.942 39.440 38.460 0.064 0.000 1.360 1602 Y HN 0.670 nan 8.280 nan 0.000 0.467 1603 S N 3.712 119.539 115.700 0.212 0.000 2.422 1603 S HA 0.416 4.886 4.470 -0.000 0.000 0.298 1603 S C -1.724 172.990 174.600 0.190 0.000 1.118 1603 S CA -1.614 56.662 58.200 0.127 0.000 1.083 1603 S CB 0.845 64.166 63.200 0.202 0.000 0.971 1603 S HN 0.592 nan 8.310 nan 0.000 0.478 1604 P HA -0.119 nan 4.420 nan 0.000 0.220 1604 P C 0.585 177.770 177.300 -0.191 0.000 1.148 1604 P CA 1.318 64.426 63.100 0.012 0.000 0.803 1604 P CB -0.047 31.557 31.700 -0.160 0.000 0.782 1605 H N -0.274 118.649 119.070 -0.246 0.000 2.423 1605 H HA 0.038 4.594 4.556 -0.000 0.000 0.297 1605 H C 2.058 177.198 175.328 -0.314 0.000 1.075 1605 H CA 0.895 56.608 56.048 -0.558 0.000 1.342 1605 H CB -0.761 28.143 29.762 -1.431 0.000 1.395 1605 H HN 0.054 nan 8.280 nan 0.000 0.530 1606 L N -0.060 121.196 121.223 0.056 0.000 2.465 1606 L HA -0.078 4.262 4.340 -0.000 0.000 0.224 1606 L C 0.769 177.855 176.870 0.359 0.000 1.145 1606 L CA 0.217 55.218 54.840 0.269 0.000 0.834 1606 L CB 0.120 42.407 42.059 0.380 0.000 0.944 1606 L HN 0.307 nan 8.230 nan 0.000 0.451 1607 L N -0.934 120.393 121.223 0.173 0.000 2.766 1607 L HA 0.350 4.690 4.340 -0.000 0.000 0.242 1607 L C 1.084 177.986 176.870 0.054 0.000 1.136 1607 L CA 0.163 55.073 54.840 0.116 0.000 0.933 1607 L CB -0.489 41.596 42.059 0.044 0.000 1.241 1607 L HN -0.011 nan 8.230 nan 0.000 0.522 1608 A N 0.587 123.418 122.820 0.018 0.000 2.264 1608 A HA 0.528 4.848 4.320 -0.000 0.000 0.304 1608 A C 0.757 178.356 177.584 0.025 0.000 1.100 1608 A CA -0.041 51.983 52.037 -0.021 0.000 0.839 1608 A CB 0.213 19.149 19.000 -0.106 0.000 1.121 1608 A HN 0.512 nan 8.150 nan 0.000 0.496 1609 N N -1.067 117.641 118.700 0.015 0.000 2.167 1609 N HA 0.205 4.945 4.740 -0.000 0.000 0.234 1609 N C -0.574 174.949 175.510 0.021 0.000 1.312 1609 N CA 0.080 53.151 53.050 0.035 0.000 0.861 1609 N CB 0.823 39.337 38.487 0.046 0.000 1.217 1609 N HN 0.402 nan 8.380 nan 0.000 0.504 1610 S N 0.686 116.388 115.700 0.003 0.000 2.546 1610 S HA 0.297 4.767 4.470 -0.000 0.000 0.272 1610 S C -0.871 173.725 174.600 -0.006 0.000 1.140 1610 S CA -0.465 57.738 58.200 0.004 0.000 0.920 1610 S CB 0.947 64.147 63.200 0.001 0.000 1.083 1610 S HN 0.306 nan 8.310 nan 0.000 0.476 1611 K N 1.054 121.460 120.400 0.010 0.000 3.096 1611 K HA -0.129 4.191 4.320 -0.000 0.000 0.266 1611 K C -1.009 175.602 176.600 0.019 0.000 1.043 1611 K CA 0.779 57.076 56.287 0.016 0.000 0.758 1611 K CB -1.805 30.700 32.500 0.007 0.000 1.260 1611 K HN 0.372 nan 8.250 nan 0.000 0.481 1612 V N 0.329 120.264 119.914 0.036 0.000 2.638 1612 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 1612 V C -0.676 175.518 176.094 0.166 0.000 1.052 1612 V CA -0.778 61.556 62.300 0.055 0.000 0.885 1612 V CB 2.152 33.952 31.823 -0.039 0.000 0.999 1612 V HN 0.277 nan 8.190 nan 0.000 0.424 1613 D N 5.418 126.014 120.400 0.327 0.000 2.788 1613 D HA 0.611 5.251 4.640 -0.000 0.000 0.247 1613 D C -2.682 173.832 176.300 0.356 0.000 1.236 1613 D CA -1.253 52.912 54.000 0.275 0.000 0.898 1613 D CB 3.035 43.931 40.800 0.160 0.000 1.401 1613 D HN 0.367 nan 8.370 nan 0.000 0.549 1614 P HA 0.212 nan 4.420 nan 0.000 0.276 1614 P C -0.395 177.012 177.300 0.179 0.000 1.244 1614 P CA -0.748 62.429 63.100 0.128 0.000 0.801 1614 P CB 0.812 32.525 31.700 0.021 0.000 1.006 1615 M N 3.358 123.015 119.600 0.095 0.000 2.284 1615 M HA 0.179 4.659 4.480 -0.000 0.000 0.351 1615 M C -2.337 173.969 176.300 0.011 0.000 1.443 1615 M CA -1.414 53.927 55.300 0.068 0.000 1.031 1615 M CB -0.742 31.889 32.600 0.051 0.000 1.893 1615 M HN 0.157 nan 8.290 nan 0.000 0.456 1616 P HA 0.199 nan 4.420 nan 0.000 0.277 1616 P C -1.108 176.049 177.300 -0.239 0.000 1.240 1616 P CA 0.097 62.994 63.100 -0.337 0.000 0.798 1616 P CB 0.243 31.699 31.700 -0.407 0.000 0.979 1617 W N 0.501 121.835 121.300 0.056 0.000 5.692 1617 W HA -0.277 4.383 4.660 -0.000 0.000 0.371 1617 W C 0.133 176.669 176.519 0.028 0.000 1.354 1617 W CA 0.575 57.937 57.345 0.030 0.000 0.955 1617 W CB -3.270 26.203 29.460 0.022 0.000 2.465 1617 W HN 0.558 nan 8.180 nan 0.000 1.554 1618 N N -1.285 117.484 118.700 0.114 0.000 2.693 1618 N HA -0.273 4.467 4.740 -0.000 0.000 0.249 1618 N C 0.501 176.074 175.510 0.104 0.000 1.119 1618 N CA 1.300 54.404 53.050 0.089 0.000 0.717 1618 N CB -0.700 37.838 38.487 0.085 0.000 1.071 1618 N HN 0.601 nan 8.380 nan 0.000 0.555 1619 Q N 0.025 119.903 119.800 0.130 0.000 2.524 1619 Q HA 0.181 4.521 4.340 -0.000 0.000 0.246 1619 Q C 0.242 176.287 176.000 0.075 0.000 1.063 1619 Q CA 0.380 56.252 55.803 0.115 0.000 0.945 1619 Q CB 0.531 29.352 28.738 0.138 0.000 1.292 1619 Q HN 0.122 nan 8.270 nan 0.000 0.518 1620 T N 1.711 116.302 114.554 0.062 0.000 2.909 1620 T HA 0.081 4.431 4.350 -0.000 0.000 0.286 1620 T C -0.126 174.599 174.700 0.041 0.000 1.002 1620 T CA -0.758 61.369 62.100 0.045 0.000 1.074 1620 T CB 0.822 69.712 68.868 0.038 0.000 0.984 1620 T HN 0.327 nan 8.240 nan 0.000 0.495 1621 E N 1.675 121.895 120.200 0.034 0.000 2.585 1621 E HA 0.155 4.505 4.350 -0.000 0.000 0.252 1621 E C 0.534 177.149 176.600 0.025 0.000 0.981 1621 E CA 0.295 56.712 56.400 0.029 0.000 0.943 1621 E CB 0.666 30.381 29.700 0.025 0.000 0.923 1621 E HN 0.828 nan 8.360 nan 0.000 0.486 1622 G N 2.390 111.204 108.800 0.023 0.000 3.211 1622 G HA2 0.184 4.144 3.960 -0.000 0.000 0.167 1622 G HA3 0.184 4.144 3.960 -0.000 0.000 0.167 1622 G C 0.009 174.917 174.900 0.013 0.000 1.212 1622 G CA -0.032 45.078 45.100 0.018 0.000 0.928 1622 G HN 0.506 nan 8.290 nan 0.000 0.607 1623 D N -1.467 118.938 120.400 0.008 0.000 2.520 1623 D HA 0.086 4.726 4.640 -0.000 0.000 0.223 1623 D C 0.247 176.546 176.300 -0.001 0.000 1.186 1623 D CA -0.137 53.866 54.000 0.005 0.000 0.821 1623 D CB 0.234 41.038 40.800 0.007 0.000 1.072 1623 D HN 0.153 nan 8.370 nan 0.000 0.518 1624 V N 2.506 122.417 119.914 -0.005 0.000 2.372 1624 V HA 0.330 4.450 4.120 -0.000 0.000 0.261 1624 V C 0.910 176.986 176.094 -0.029 0.000 1.055 1624 V CA -0.146 62.144 62.300 -0.017 0.000 0.930 1624 V CB 0.057 31.868 31.823 -0.020 0.000 1.031 1624 V HN 0.363 nan 8.190 nan 0.000 0.479 1625 T N 3.246 117.778 114.554 -0.035 0.000 2.902 1625 T HA 0.377 4.727 4.350 -0.000 0.000 0.280 1625 T C -1.771 172.866 174.700 -0.104 0.000 0.992 1625 T CA -2.054 60.011 62.100 -0.059 0.000 1.015 1625 T CB 1.701 70.547 68.868 -0.037 0.000 1.044 1625 T HN 0.314 nan 8.240 nan 0.000 0.520 1626 P HA -0.123 nan 4.420 nan 0.000 0.217 1626 P C 1.275 178.470 177.300 -0.175 0.000 1.148 1626 P CA 0.921 63.836 63.100 -0.309 0.000 0.828 1626 P CB 0.052 31.372 31.700 -0.633 0.000 0.783 1627 D N -0.614 119.734 120.400 -0.086 0.000 2.097 1627 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 1627 D C 1.249 177.556 176.300 0.011 0.000 0.984 1627 D CA 1.173 55.188 54.000 0.025 0.000 0.826 1627 D CB -0.223 40.625 40.800 0.080 0.000 0.973 1627 D HN 0.024 nan 8.370 nan 0.000 0.460 1628 D N 0.521 120.916 120.400 -0.009 0.000 2.123 1628 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 1628 D C 2.195 178.464 176.300 -0.051 0.000 0.992 1628 D CA 1.074 55.067 54.000 -0.012 0.000 0.833 1628 D CB -0.486 40.306 40.800 -0.014 0.000 0.954 1628 D HN 0.275 nan 8.370 nan 0.000 0.455 1629 V N 0.159 120.032 119.914 -0.068 0.000 2.490 1629 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 1629 V C 2.166 178.206 176.094 -0.090 0.000 1.061 1629 V CA 1.374 63.629 62.300 -0.075 0.000 1.064 1629 V CB -0.418 31.372 31.823 -0.055 0.000 0.670 1629 V HN 0.034 nan 8.190 nan 0.000 0.461 1630 V N 1.114 120.957 119.914 -0.119 0.000 2.358 1630 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 1630 V C 2.498 178.366 176.094 -0.378 0.000 1.047 1630 V CA 2.528 64.693 62.300 -0.224 0.000 1.035 1630 V CB -0.982 30.556 31.823 -0.475 0.000 0.658 1630 V HN 0.720 nan 8.190 nan 0.000 0.452 1631 D N -0.071 120.121 120.400 -0.347 0.000 2.097 1631 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 1631 D C 1.971 178.219 176.300 -0.086 0.000 0.989 1631 D CA 1.136 55.032 54.000 -0.173 0.000 0.827 1631 D CB -0.113 40.702 40.800 0.024 0.000 0.966 1631 D HN 0.154 nan 8.370 nan 0.000 0.456 1632 L N 0.232 121.409 121.223 -0.078 0.000 2.042 1632 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 1632 L C 2.574 179.400 176.870 -0.073 0.000 1.076 1632 L CA 0.939 55.743 54.840 -0.059 0.000 0.749 1632 L CB -1.103 40.916 42.059 -0.067 0.000 0.893 1632 L HN 0.101 nan 8.230 nan 0.000 0.432 1633 V N -0.272 119.566 119.914 -0.126 0.000 2.358 1633 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 1633 V C 2.180 178.236 176.094 -0.063 0.000 1.047 1633 V CA 1.730 63.938 62.300 -0.154 0.000 1.035 1633 V CB -0.736 30.903 31.823 -0.307 0.000 0.658 1633 V HN 0.528 nan 8.190 nan 0.000 0.452 1634 N N -0.175 118.491 118.700 -0.057 0.000 2.036 1634 N HA -0.287 4.453 4.740 -0.000 0.000 0.195 1634 N C 1.933 177.465 175.510 0.036 0.000 1.037 1634 N CA 1.722 54.770 53.050 -0.003 0.000 0.855 1634 N CB -0.212 38.267 38.487 -0.012 0.000 1.033 1634 N HN 0.589 nan 8.380 nan 0.000 0.423 1635 Q N 0.045 119.863 119.800 0.030 0.000 2.045 1635 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 1635 Q C 2.425 178.477 176.000 0.086 0.000 0.991 1635 Q CA 1.556 57.391 55.803 0.054 0.000 0.851 1635 Q CB -0.376 28.385 28.738 0.038 0.000 0.911 1635 Q HN 0.475 nan 8.270 nan 0.000 0.418 1636 G N 0.819 109.669 108.800 0.083 0.000 2.418 1636 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 1636 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 1636 G C 1.407 176.422 174.900 0.191 0.000 1.158 1636 G CA 0.602 45.796 45.100 0.155 0.000 0.771 1636 G HN 0.160 nan 8.290 nan 0.000 0.545 1637 L N -0.273 121.023 121.223 0.123 0.000 2.056 1637 L HA -0.086 4.253 4.340 -0.000 0.000 0.207 1637 L C 3.128 180.080 176.870 0.137 0.000 1.078 1637 L CA 1.107 56.024 54.840 0.127 0.000 0.749 1637 L CB -0.490 41.623 42.059 0.090 0.000 0.901 1637 L HN 0.281 nan 8.230 nan 0.000 0.433 1638 Q N -0.230 119.644 119.800 0.122 0.000 2.167 1638 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 1638 Q C 2.036 178.112 176.000 0.128 0.000 0.970 1638 Q CA 1.212 57.084 55.803 0.114 0.000 0.855 1638 Q CB 0.023 28.819 28.738 0.096 0.000 0.911 1638 Q HN 0.539 nan 8.270 nan 0.000 0.438 1639 E N -0.068 120.233 120.200 0.168 0.000 2.046 1639 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 1639 E C 2.082 178.839 176.600 0.262 0.000 0.982 1639 E CA 0.882 57.410 56.400 0.214 0.000 0.800 1639 E CB -0.147 29.710 29.700 0.262 0.000 0.756 1639 E HN 0.447 nan 8.360 nan 0.000 0.449 1640 G N 1.276 110.245 108.800 0.281 0.000 2.432 1640 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 1640 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 1640 G C 1.390 176.428 174.900 0.231 0.000 1.135 1640 G CA 0.873 46.085 45.100 0.188 0.000 0.767 1640 G HN 0.270 nan 8.290 nan 0.000 0.550 1641 E N -0.191 120.106 120.200 0.162 0.000 2.031 1641 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 1641 E C 2.484 179.133 176.600 0.081 0.000 0.994 1641 E CA 1.174 57.654 56.400 0.133 0.000 0.800 1641 E CB -0.118 29.653 29.700 0.119 0.000 0.752 1641 E HN 0.307 nan 8.360 nan 0.000 0.447 1642 Q N -0.114 119.720 119.800 0.056 0.000 2.226 1642 Q HA -0.023 4.317 4.340 -0.000 0.000 0.204 1642 Q C 1.647 177.610 176.000 -0.062 0.000 0.975 1642 Q CA 1.540 57.351 55.803 0.014 0.000 0.866 1642 Q CB -0.108 28.646 28.738 0.026 0.000 0.915 1642 Q HN 0.415 nan 8.270 nan 0.000 0.440 1643 A N -1.538 121.192 122.820 -0.151 0.000 1.984 1643 A HA 0.043 4.363 4.320 -0.000 0.000 0.214 1643 A C 1.041 178.203 177.584 -0.702 0.000 1.173 1643 A CA 0.580 52.348 52.037 -0.448 0.000 0.673 1643 A CB -0.074 18.566 19.000 -0.600 0.000 0.830 1643 A HN 0.339 nan 8.150 nan 0.000 0.453 1644 F N -0.814 119.122 119.950 -0.022 0.000 2.678 1644 F HA 0.379 4.906 4.527 -0.000 0.000 0.305 1644 F C 1.685 177.471 175.800 -0.023 0.000 1.090 1644 F CA 0.054 58.029 58.000 -0.042 0.000 1.272 1644 F CB 0.097 39.040 39.000 -0.094 0.000 1.060 1644 F HN 0.275 nan 8.300 nan 0.000 0.576 1645 G N 2.303 111.153 108.800 0.084 0.000 2.249 1645 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.273 1645 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.273 1645 G C 0.125 175.075 174.900 0.084 0.000 1.036 1645 G CA 0.673 45.813 45.100 0.067 0.000 0.824 1645 G HN 0.555 nan 8.290 nan 0.000 0.504 1646 I N -3.896 116.739 120.570 0.108 0.000 2.892 1646 I HA 0.885 5.055 4.170 -0.000 0.000 0.306 1646 I C -0.351 175.843 176.117 0.129 0.000 1.078 1646 I CA -1.913 59.450 61.300 0.104 0.000 1.032 1646 I CB 2.005 40.053 38.000 0.079 0.000 1.229 1646 I HN -0.038 nan 8.210 nan 0.000 0.435 1647 K N 3.550 124.056 120.400 0.177 0.000 2.227 1647 K HA 0.651 4.971 4.320 -0.000 0.000 0.280 1647 K C -1.452 175.280 176.600 0.221 0.000 1.041 1647 K CA -0.443 55.990 56.287 0.243 0.000 0.905 1647 K CB 1.376 34.069 32.500 0.322 0.000 1.068 1647 K HN 0.593 nan 8.250 nan 0.000 0.470 1648 V N 5.183 125.193 119.914 0.160 0.000 2.588 1648 V HA 0.603 4.723 4.120 -0.000 0.000 0.304 1648 V C -0.390 175.766 176.094 0.103 0.000 1.042 1648 V CA -1.046 61.297 62.300 0.072 0.000 0.877 1648 V CB 1.542 33.430 31.823 0.108 0.000 0.996 1648 V HN 0.731 nan 8.190 nan 0.000 0.425 1649 R N 1.891 122.415 120.500 0.040 0.000 2.867 1649 R HA 0.798 5.138 4.340 -0.000 0.000 0.268 1649 R C -0.443 175.893 176.300 0.060 0.000 1.014 1649 R CA -0.591 55.574 56.100 0.107 0.000 0.946 1649 R CB 2.387 32.817 30.300 0.217 0.000 1.208 1649 R HN 0.895 nan 8.270 nan 0.000 0.477 1650 S N 0.200 115.953 115.700 0.090 0.000 2.689 1650 S HA 0.772 5.242 4.470 -0.000 0.000 0.306 1650 S C 0.017 174.649 174.600 0.054 0.000 1.104 1650 S CA -0.783 57.463 58.200 0.078 0.000 0.973 1650 S CB 1.645 64.938 63.200 0.155 0.000 1.121 1650 S HN 0.452 nan 8.310 nan 0.000 0.523 1651 I N 0.736 121.303 120.570 -0.006 0.000 2.647 1651 I HA 0.374 4.544 4.170 -0.000 0.000 0.295 1651 I C -1.254 174.743 176.117 -0.200 0.000 1.078 1651 I CA -0.855 60.422 61.300 -0.038 0.000 1.048 1651 I CB 1.994 40.008 38.000 0.023 0.000 1.239 1651 I HN 0.479 nan 8.210 nan 0.000 0.421 1652 L N 4.828 125.930 121.223 -0.202 0.000 2.282 1652 L HA 0.489 4.829 4.340 -0.000 0.000 0.288 1652 L C -0.794 176.003 176.870 -0.123 0.000 1.033 1652 L CA -0.639 54.019 54.840 -0.304 0.000 0.807 1652 L CB 1.479 43.387 42.059 -0.252 0.000 1.209 1652 L HN 0.586 nan 8.230 nan 0.000 0.423 1653 C N 1.875 121.123 119.300 -0.086 0.000 2.369 1653 C HA 0.409 4.869 4.460 -0.000 0.000 0.358 1653 C C 0.687 175.738 174.990 0.103 0.000 1.274 1653 C CA -0.938 58.111 59.018 0.052 0.000 1.935 1653 C CB 0.219 28.027 27.740 0.114 0.000 2.431 1653 C HN 0.794 nan 8.230 nan 0.000 0.545 1654 C N 4.952 124.325 119.300 0.122 0.000 2.466 1654 C HA 0.520 4.980 4.460 -0.000 0.000 0.379 1654 C C 0.346 175.391 174.990 0.091 0.000 1.251 1654 C CA -0.491 58.623 59.018 0.159 0.000 2.263 1654 C CB 0.139 27.994 27.740 0.191 0.000 2.511 1654 C HN 0.756 nan 8.230 nan 0.000 0.573 1655 M N 2.648 122.306 119.600 0.097 0.000 2.180 1655 M HA 0.309 4.789 4.480 -0.000 0.000 0.350 1655 M C 1.217 177.484 176.300 -0.054 0.000 1.125 1655 M CA -0.095 55.180 55.300 -0.042 0.000 1.031 1655 M CB 0.889 33.385 32.600 -0.174 0.000 1.623 1655 M HN 0.737 nan 8.290 nan 0.000 0.451 1656 R N 1.229 121.696 120.500 -0.056 0.000 2.133 1656 R HA -0.197 4.143 4.340 -0.000 0.000 0.247 1656 R C 1.828 178.269 176.300 0.234 0.000 1.151 1656 R CA 1.954 58.075 56.100 0.034 0.000 0.971 1656 R CB -0.331 29.944 30.300 -0.042 0.000 0.866 1656 R HN 0.724 nan 8.270 nan 0.000 0.447 1657 H N -0.956 118.169 119.070 0.093 0.000 2.547 1657 H HA 0.066 4.622 4.556 -0.000 0.000 0.272 1657 H C 0.114 175.389 175.328 -0.089 0.000 0.989 1657 H CA 0.436 56.513 56.048 0.048 0.000 1.214 1657 H CB 0.410 30.137 29.762 -0.060 0.000 1.389 1657 H HN 0.071 nan 8.280 nan 0.000 0.577 1658 Q N 1.784 121.234 119.800 -0.583 0.000 2.851 1658 Q HA 0.202 4.542 4.340 -0.000 0.000 0.331 1658 Q C -1.924 173.821 176.000 -0.426 0.000 0.979 1658 Q CA -1.779 53.594 55.803 -0.717 0.000 0.955 1658 Q CB 1.742 29.588 28.738 -1.487 0.000 1.298 1658 Q HN 0.402 nan 8.270 nan 0.000 0.432 1659 P HA -0.172 nan 4.420 nan 0.000 0.221 1659 P C 1.151 178.305 177.300 -0.243 0.000 1.145 1659 P CA 1.157 63.998 63.100 -0.432 0.000 0.795 1659 P CB 0.241 31.648 31.700 -0.489 0.000 0.775 1660 S N -2.641 112.887 115.700 -0.286 0.000 2.469 1660 S HA -0.107 4.363 4.470 -0.000 0.000 0.238 1660 S C 1.522 176.127 174.600 0.008 0.000 0.998 1660 S CA 0.373 58.471 58.200 -0.170 0.000 0.957 1660 S CB -1.086 61.984 63.200 -0.217 0.000 0.764 1660 S HN 0.139 nan 8.310 nan 0.000 0.514 1661 W N 1.815 122.993 121.300 -0.205 0.000 2.996 1661 W HA 0.456 5.116 4.660 -0.000 0.000 0.270 1661 W C 2.383 178.831 176.519 -0.119 0.000 1.280 1661 W CA -0.870 56.285 57.345 -0.318 0.000 1.549 1661 W CB -1.284 27.737 29.460 -0.731 0.000 1.079 1661 W HN 0.281 nan 8.180 nan 0.000 0.629 1662 S N 1.416 117.225 115.700 0.182 0.000 2.359 1662 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 1662 S C 1.976 176.659 174.600 0.138 0.000 1.039 1662 S CA 1.521 59.838 58.200 0.194 0.000 1.042 1662 S CB -0.776 62.578 63.200 0.258 0.000 0.915 1662 S HN 0.168 nan 8.310 nan 0.000 0.439 1663 L N 1.021 122.308 121.223 0.106 0.000 2.083 1663 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 1663 L C 2.722 179.641 176.870 0.080 0.000 1.083 1663 L CA 1.435 56.321 54.840 0.076 0.000 0.752 1663 L CB -0.469 41.624 42.059 0.057 0.000 0.899 1663 L HN 0.435 nan 8.230 nan 0.000 0.433 1664 E N 0.083 120.355 120.200 0.120 0.000 2.072 1664 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 1664 E C 2.220 178.898 176.600 0.130 0.000 0.985 1664 E CA 1.126 57.605 56.400 0.132 0.000 0.801 1664 E CB 0.176 29.996 29.700 0.199 0.000 0.750 1664 E HN 0.247 nan 8.360 nan 0.000 0.452 1665 V N 1.546 121.565 119.914 0.175 0.000 2.332 1665 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 1665 V C 2.476 178.592 176.094 0.037 0.000 1.055 1665 V CA 1.610 63.983 62.300 0.120 0.000 1.038 1665 V CB -0.613 31.290 31.823 0.133 0.000 0.651 1665 V HN 0.362 nan 8.190 nan 0.000 0.450 1666 L N 0.358 121.594 121.223 0.021 0.000 2.012 1666 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 1666 L C 2.487 179.350 176.870 -0.011 0.000 1.073 1666 L CA 1.961 56.785 54.840 -0.027 0.000 0.748 1666 L CB -0.885 41.152 42.059 -0.036 0.000 0.891 1666 L HN 0.278 nan 8.230 nan 0.000 0.431 1667 E N -0.456 119.752 120.200 0.013 0.000 2.153 1667 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 1667 E C 2.204 178.820 176.600 0.027 0.000 0.988 1667 E CA 0.918 57.325 56.400 0.012 0.000 0.811 1667 E CB -0.359 29.353 29.700 0.020 0.000 0.746 1667 E HN 0.348 nan 8.360 nan 0.000 0.466 1668 L N 0.203 121.460 121.223 0.058 0.000 2.109 1668 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 1668 L C 2.392 179.353 176.870 0.151 0.000 1.086 1668 L CA 0.996 55.918 54.840 0.137 0.000 0.760 1668 L CB -1.074 41.039 42.059 0.091 0.000 0.910 1668 L HN 0.166 nan 8.230 nan 0.000 0.437 1669 C N -0.765 118.566 119.300 0.052 0.000 2.440 1669 C HA -0.128 4.332 4.460 -0.000 0.000 0.278 1669 C C 2.692 177.695 174.990 0.021 0.000 1.295 1669 C CA 0.304 59.338 59.018 0.026 0.000 1.738 1669 C CB -0.565 27.150 27.740 -0.041 0.000 1.987 1669 C HN 0.466 nan 8.230 nan 0.000 0.492 1670 K N 1.066 121.462 120.400 -0.006 0.000 2.001 1670 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 1670 K C 2.211 178.787 176.600 -0.039 0.000 1.048 1670 K CA 1.267 57.536 56.287 -0.030 0.000 0.932 1670 K CB -0.246 32.230 32.500 -0.039 0.000 0.715 1670 K HN 0.439 nan 8.250 nan 0.000 0.437 1671 K N 0.266 120.630 120.400 -0.059 0.000 2.057 1671 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 1671 K C 0.833 177.276 176.600 -0.262 0.000 1.050 1671 K CA 1.396 57.567 56.287 -0.193 0.000 0.935 1671 K CB 0.068 32.393 32.500 -0.291 0.000 0.715 1671 K HN 0.130 nan 8.250 nan 0.000 0.439 1672 Y N 1.223 121.520 120.300 -0.005 0.000 2.683 1672 Y HA 0.170 4.720 4.550 -0.000 0.000 0.297 1672 Y C 0.062 175.971 175.900 0.014 0.000 1.147 1672 Y CA -0.733 57.372 58.100 0.009 0.000 1.274 1672 Y CB -0.150 38.321 38.460 0.017 0.000 1.143 1672 Y HN 0.035 nan 8.280 nan 0.000 0.527 1673 N N 2.022 120.779 118.700 0.095 0.000 2.411 1673 N HA -0.105 4.635 4.740 -0.000 0.000 0.265 1673 N C 0.517 176.075 175.510 0.080 0.000 1.266 1673 N CA 0.998 54.087 53.050 0.064 0.000 0.889 1673 N CB 0.457 38.951 38.487 0.011 0.000 1.069 1673 N HN 0.429 nan 8.380 nan 0.000 0.476 1674 Q N 0.794 120.654 119.800 0.100 0.000 2.217 1674 Q HA -0.250 4.090 4.340 -0.000 0.000 0.170 1674 Q C -0.538 175.534 176.000 0.119 0.000 0.597 1674 Q CA 1.356 57.225 55.803 0.110 0.000 1.426 1674 Q CB -1.118 27.672 28.738 0.088 0.000 1.504 1674 Q HN 0.721 nan 8.270 nan 0.000 0.860 1675 K N 1.778 122.260 120.400 0.137 0.000 2.737 1675 K HA 0.129 4.449 4.320 -0.000 0.000 0.251 1675 K C 1.009 177.701 176.600 0.153 0.000 1.280 1675 K CA 0.832 57.212 56.287 0.156 0.000 1.219 1675 K CB -0.256 32.377 32.500 0.222 0.000 1.587 1675 K HN 0.486 nan 8.250 nan 0.000 0.279 1676 T N -3.765 110.870 114.554 0.134 0.000 12.127 1676 T HA -0.217 4.133 4.350 -0.000 0.000 0.407 1676 T C 0.507 175.283 174.700 0.126 0.000 1.530 1676 T CA 0.975 63.151 62.100 0.127 0.000 2.499 1676 T CB -1.458 67.473 68.868 0.104 0.000 2.756 1676 T HN 0.125 nan 8.240 nan 0.000 0.804 1677 V N 4.046 124.032 119.914 0.119 0.000 2.425 1677 V HA 0.446 4.566 4.120 -0.000 0.000 0.276 1677 V C 1.902 178.061 176.094 0.109 0.000 1.017 1677 V CA 0.474 62.832 62.300 0.096 0.000 1.062 1677 V CB 0.972 32.846 31.823 0.084 0.000 0.997 1677 V HN 1.024 nan 8.190 nan 0.000 0.476 1678 V N 2.077 122.068 119.914 0.128 0.000 3.477 1678 V HA 0.853 4.973 4.120 -0.000 0.000 0.297 1678 V C 0.433 176.598 176.094 0.119 0.000 1.433 1678 V CA 0.592 62.997 62.300 0.175 0.000 1.052 1678 V CB 0.013 32.005 31.823 0.282 0.000 0.895 1678 V HN 0.955 nan 8.190 nan 0.000 0.438 1679 A N 0.290 123.132 122.820 0.037 0.000 2.544 1679 A HA 0.777 5.097 4.320 -0.000 0.000 0.291 1679 A C -1.240 176.297 177.584 -0.078 0.000 1.055 1679 A CA -0.354 51.624 52.037 -0.099 0.000 0.651 1679 A CB 1.544 20.453 19.000 -0.152 0.000 1.296 1679 A HN 0.364 nan 8.150 nan 0.000 0.431 1680 M N 0.700 120.219 119.600 -0.136 0.000 2.578 1680 M HA 0.676 5.156 4.480 -0.000 0.000 0.321 1680 M C -1.414 174.880 176.300 -0.010 0.000 1.182 1680 M CA -0.306 54.917 55.300 -0.128 0.000 0.965 1680 M CB 1.852 34.276 32.600 -0.293 0.000 1.694 1680 M HN 0.904 nan 8.290 nan 0.000 0.461 1681 D N 2.195 122.641 120.400 0.077 0.000 2.552 1681 D HA 0.592 5.232 4.640 -0.000 0.000 0.239 1681 D C -2.174 174.289 176.300 0.271 0.000 1.139 1681 D CA -0.479 53.659 54.000 0.230 0.000 0.914 1681 D CB 2.071 42.987 40.800 0.194 0.000 1.461 1681 D HN 0.494 nan 8.370 nan 0.000 0.462 1682 L N 1.912 123.312 121.223 0.296 0.000 2.372 1682 L HA 0.891 5.231 4.340 -0.000 0.000 0.274 1682 L C -1.137 175.773 176.870 0.067 0.000 0.988 1682 L CA -0.226 54.681 54.840 0.112 0.000 0.833 1682 L CB 0.651 42.686 42.059 -0.040 0.000 1.236 1682 L HN 0.586 nan 8.230 nan 0.000 0.410 1683 A N 2.925 125.689 122.820 -0.093 0.000 2.548 1683 A HA 1.059 5.379 4.320 -0.000 0.000 0.262 1683 A C 0.315 177.789 177.584 -0.184 0.000 1.271 1683 A CA -0.207 51.600 52.037 -0.383 0.000 0.839 1683 A CB 0.566 19.364 19.000 -0.338 0.000 1.381 1683 A HN 1.870 nan 8.150 nan 0.000 0.468 1684 G N -0.802 107.904 108.800 -0.157 0.000 2.500 1684 G HA2 0.145 4.105 3.960 -0.000 0.000 0.209 1684 G HA3 0.145 4.105 3.960 -0.000 0.000 0.209 1684 G C -0.924 173.978 174.900 0.003 0.000 1.283 1684 G CA 0.088 45.168 45.100 -0.033 0.000 0.960 1684 G HN 1.125 nan 8.290 nan 0.000 0.528 1685 D N 0.524 120.945 120.400 0.034 0.000 2.338 1685 D HA 0.276 4.916 4.640 -0.000 0.000 0.255 1685 D C 1.324 177.636 176.300 0.019 0.000 1.237 1685 D CA 0.200 54.222 54.000 0.035 0.000 0.883 1685 D CB 1.062 41.874 40.800 0.020 0.000 1.087 1685 D HN 0.536 nan 8.370 nan 0.000 0.485 1686 E N 1.746 121.962 120.200 0.026 0.000 2.274 1686 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 1686 E C 1.426 178.017 176.600 -0.015 0.000 0.996 1686 E CA 0.868 57.269 56.400 0.002 0.000 0.840 1686 E CB 0.323 30.041 29.700 0.029 0.000 0.772 1686 E HN 0.618 nan 8.360 nan 0.000 0.491 1687 T N -1.014 113.539 114.554 -0.002 0.000 2.962 1687 T HA -0.046 4.304 4.350 -0.000 0.000 0.270 1687 T C 1.092 175.788 174.700 -0.008 0.000 1.088 1687 T CA 0.096 62.190 62.100 -0.010 0.000 1.127 1687 T CB -0.399 68.468 68.868 -0.002 0.000 0.883 1687 T HN 0.049 nan 8.240 nan 0.000 0.493 1688 I N 2.772 123.342 120.570 -0.001 0.000 2.680 1688 I HA 0.037 4.207 4.170 -0.000 0.000 0.286 1688 I C 0.746 176.856 176.117 -0.011 0.000 1.144 1688 I CA -0.002 61.311 61.300 0.022 0.000 1.370 1688 I CB 0.015 38.050 38.000 0.058 0.000 1.420 1688 I HN 0.407 nan 8.210 nan 0.000 0.540 1689 E N 5.816 126.027 120.200 0.018 0.000 2.465 1689 E HA 0.059 4.409 4.350 -0.000 0.000 0.260 1689 E C 1.256 177.856 176.600 0.000 0.000 0.980 1689 E CA 0.776 57.178 56.400 0.004 0.000 0.927 1689 E CB 0.398 30.112 29.700 0.024 0.000 0.934 1689 E HN 0.867 nan 8.360 nan 0.000 0.459 1690 G N 3.220 111.978 108.800 -0.069 0.000 2.175 1690 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.265 1690 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.265 1690 G C 0.937 175.563 174.900 -0.457 0.000 0.979 1690 G CA 0.945 45.982 45.100 -0.105 0.000 0.663 1690 G HN 0.754 nan 8.290 nan 0.000 0.533 1691 S N -0.153 115.101 115.700 -0.744 0.000 2.402 1691 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 1691 S C 2.287 176.385 174.600 -0.835 0.000 1.030 1691 S CA 1.996 59.288 58.200 -1.513 0.000 1.003 1691 S CB -0.412 62.347 63.200 -0.734 0.000 0.813 1691 S HN 0.726 nan 8.310 nan 0.000 0.477 1692 S N 1.899 117.355 115.700 -0.407 0.000 2.399 1692 S HA 0.122 4.592 4.470 -0.000 0.000 0.231 1692 S C 1.421 175.955 174.600 -0.109 0.000 1.022 1692 S CA 0.813 58.880 58.200 -0.222 0.000 0.983 1692 S CB -0.326 62.773 63.200 -0.169 0.000 0.803 1692 S HN 0.366 nan 8.310 nan 0.000 0.480 1693 L N 0.765 121.919 121.223 -0.116 0.000 2.591 1693 L HA 0.260 4.600 4.340 -0.000 0.000 0.228 1693 L C -0.203 176.777 176.870 0.183 0.000 1.133 1693 L CA 0.304 55.162 54.840 0.030 0.000 0.880 1693 L CB -1.616 40.468 42.059 0.042 0.000 1.033 1693 L HN 0.201 nan 8.230 nan 0.000 0.450 1694 F N 1.938 121.911 119.950 0.039 0.000 2.571 1694 F HA 0.135 4.662 4.527 -0.000 0.000 0.384 1694 F C -0.668 175.075 175.800 -0.095 0.000 1.058 1694 F CA -2.582 55.373 58.000 -0.074 0.000 1.200 1694 F CB -0.378 38.495 39.000 -0.212 0.000 1.077 1694 F HN -0.053 nan 8.300 nan 0.000 0.558 1695 P HA -0.216 nan 4.420 nan 0.000 0.219 1695 P C 1.752 179.065 177.300 0.021 0.000 1.158 1695 P CA 2.381 65.504 63.100 0.039 0.000 0.895 1695 P CB 0.107 31.804 31.700 -0.004 0.000 0.792 1696 G N -1.431 107.335 108.800 -0.056 0.000 2.440 1696 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 1696 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 1696 G C 1.181 176.109 174.900 0.046 0.000 1.154 1696 G CA 1.235 46.297 45.100 -0.063 0.000 0.767 1696 G HN 0.385 nan 8.290 nan 0.000 0.552 1697 H N -0.501 118.650 119.070 0.134 0.000 2.299 1697 H HA -0.015 4.541 4.556 -0.000 0.000 0.302 1697 H C 2.813 178.255 175.328 0.189 0.000 1.078 1697 H CA 0.822 56.969 56.048 0.165 0.000 1.323 1697 H CB -0.045 29.767 29.762 0.083 0.000 1.381 1697 H HN 0.188 nan 8.280 nan 0.000 0.498 1698 V N 1.353 121.406 119.914 0.231 0.000 2.324 1698 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 1698 V C 1.992 178.184 176.094 0.163 0.000 1.060 1698 V CA 2.139 64.535 62.300 0.160 0.000 1.042 1698 V CB -0.490 31.393 31.823 0.100 0.000 0.650 1698 V HN 0.481 nan 8.190 nan 0.000 0.450 1699 E N 0.230 120.508 120.200 0.129 0.000 2.072 1699 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 1699 E C 2.351 179.014 176.600 0.106 0.000 0.985 1699 E CA 1.252 57.709 56.400 0.095 0.000 0.801 1699 E CB -0.384 29.352 29.700 0.062 0.000 0.750 1699 E HN 0.614 nan 8.360 nan 0.000 0.452 1700 A N 0.702 123.608 122.820 0.143 0.000 1.858 1700 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 1700 A C 1.899 179.513 177.584 0.050 0.000 1.190 1700 A CA 1.357 53.452 52.037 0.097 0.000 0.617 1700 A CB -0.914 18.166 19.000 0.134 0.000 0.827 1700 A HN 0.266 nan 8.150 nan 0.000 0.443 1701 Y N 0.343 120.675 120.300 0.052 0.000 2.274 1701 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 1701 Y C 2.481 178.392 175.900 0.018 0.000 1.145 1701 Y CA 1.792 59.912 58.100 0.032 0.000 1.203 1701 Y CB -0.201 38.283 38.460 0.040 0.000 0.984 1701 Y HN 0.467 nan 8.280 nan 0.000 0.533 1702 E N -1.098 119.192 120.200 0.150 0.000 2.107 1702 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 1702 E C 2.496 179.116 176.600 0.033 0.000 0.982 1702 E CA 0.793 57.243 56.400 0.083 0.000 0.809 1702 E CB -0.414 29.329 29.700 0.071 0.000 0.756 1702 E HN 0.524 nan 8.360 nan 0.000 0.459 1703 G N 1.094 109.906 108.800 0.020 0.000 2.443 1703 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 1703 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 1703 G C 1.625 176.499 174.900 -0.044 0.000 1.131 1703 G CA 0.736 45.831 45.100 -0.010 0.000 0.775 1703 G HN 0.316 nan 8.290 nan 0.000 0.547 1704 A N 0.314 123.091 122.820 -0.072 0.000 1.873 1704 A HA 0.098 4.418 4.320 -0.000 0.000 0.215 1704 A C 2.591 180.119 177.584 -0.092 0.000 1.186 1704 A CA 1.678 53.639 52.037 -0.126 0.000 0.616 1704 A CB -0.671 18.192 19.000 -0.229 0.000 0.823 1704 A HN 0.219 nan 8.150 nan 0.000 0.442 1705 V N 0.465 120.354 119.914 -0.042 0.000 2.287 1705 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 1705 V C 2.420 178.494 176.094 -0.033 0.000 1.053 1705 V CA 2.464 64.750 62.300 -0.023 0.000 1.027 1705 V CB -0.732 31.102 31.823 0.018 0.000 0.646 1705 V HN 0.553 nan 8.190 nan 0.000 0.447 1706 K N 0.092 120.476 120.400 -0.026 0.000 2.209 1706 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 1706 K C 1.339 177.915 176.600 -0.040 0.000 1.048 1706 K CA 1.146 57.418 56.287 -0.025 0.000 0.940 1706 K CB -0.155 32.336 32.500 -0.016 0.000 0.729 1706 K HN 0.501 nan 8.250 nan 0.000 0.451 1707 N N -0.098 118.567 118.700 -0.059 0.000 2.204 1707 N HA 0.030 4.770 4.740 -0.000 0.000 0.219 1707 N C 0.064 175.512 175.510 -0.103 0.000 1.151 1707 N CA 0.403 53.411 53.050 -0.071 0.000 0.867 1707 N CB 1.463 39.910 38.487 -0.067 0.000 1.043 1707 N HN 0.213 nan 8.380 nan 0.000 0.516 1708 G N 1.958 110.687 108.800 -0.120 0.000 2.350 1708 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.298 1708 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.298 1708 G C -0.219 174.510 174.900 -0.285 0.000 1.037 1708 G CA -0.039 44.951 45.100 -0.185 0.000 1.074 1708 G HN 0.219 nan 8.290 nan 0.000 0.511 1709 I N 0.791 121.204 120.570 -0.262 0.000 2.339 1709 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 1709 I C 1.065 176.968 176.117 -0.356 0.000 0.994 1709 I CA -1.366 59.760 61.300 -0.289 0.000 1.191 1709 I CB 0.642 38.522 38.000 -0.201 0.000 1.343 1709 I HN 0.221 nan 8.210 nan 0.000 0.458 1710 H N 5.957 124.809 119.070 -0.364 0.000 2.929 1710 H HA 0.213 4.769 4.556 -0.000 0.000 0.358 1710 H C -0.137 174.815 175.328 -0.627 0.000 1.111 1710 H CA 0.487 56.122 56.048 -0.688 0.000 1.409 1710 H CB 0.680 29.622 29.762 -1.367 0.000 1.373 1710 H HN 0.403 nan 8.280 nan 0.000 0.610 1711 R N 0.852 121.122 120.500 -0.385 0.000 2.621 1711 R HA 0.411 4.751 4.340 -0.000 0.000 0.284 1711 R C -1.007 175.430 176.300 0.229 0.000 0.998 1711 R CA -0.667 55.409 56.100 -0.040 0.000 0.895 1711 R CB 2.348 32.734 30.300 0.143 0.000 1.195 1711 R HN 0.543 nan 8.270 nan 0.000 0.450 1712 T N 1.063 115.804 114.554 0.313 0.000 2.896 1712 T HA 0.716 5.065 4.350 -0.000 0.000 0.297 1712 T C -1.508 173.380 174.700 0.314 0.000 1.108 1712 T CA -0.579 61.723 62.100 0.336 0.000 1.004 1712 T CB 1.545 70.623 68.868 0.350 0.000 1.159 1712 T HN 0.210 nan 8.240 nan 0.000 0.499 1713 V N 3.620 123.676 119.914 0.237 0.000 2.777 1713 V HA 0.365 4.485 4.120 -0.000 0.000 0.306 1713 V C -1.144 175.098 176.094 0.248 0.000 1.112 1713 V CA -1.023 61.410 62.300 0.222 0.000 0.917 1713 V CB 1.824 33.679 31.823 0.053 0.000 1.018 1713 V HN 1.003 nan 8.190 nan 0.000 0.426 1714 H N 2.759 121.939 119.070 0.184 0.000 2.848 1714 H HA 0.716 5.272 4.556 -0.000 0.000 0.317 1714 H C 0.335 175.752 175.328 0.149 0.000 1.046 1714 H CA 0.951 57.151 56.048 0.254 0.000 1.470 1714 H CB 0.998 30.946 29.762 0.310 0.000 1.483 1714 H HN 1.040 nan 8.280 nan 0.000 0.548 1715 A N 1.493 124.457 122.820 0.240 0.000 2.565 1715 A HA 0.532 4.852 4.320 -0.000 0.000 0.298 1715 A C 0.723 178.381 177.584 0.123 0.000 1.062 1715 A CA -0.274 51.848 52.037 0.143 0.000 0.723 1715 A CB 0.566 19.629 19.000 0.105 0.000 1.282 1715 A HN 1.124 nan 8.150 nan 0.000 0.400 1716 G N 1.055 109.916 108.800 0.102 0.000 2.136 1716 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 1716 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 1716 G C 0.668 175.664 174.900 0.161 0.000 0.989 1716 G CA 1.264 46.447 45.100 0.138 0.000 0.682 1716 G HN 1.217 nan 8.290 nan 0.000 0.522 1717 E N -1.056 119.182 120.200 0.064 0.000 2.024 1717 E HA 0.208 4.557 4.350 -0.000 0.000 0.190 1717 E C 2.130 178.843 176.600 0.188 0.000 0.974 1717 E CA 1.395 57.757 56.400 -0.063 0.000 0.810 1717 E CB 0.029 29.529 29.700 -0.334 0.000 0.775 1717 E HN 0.568 nan 8.360 nan 0.000 0.453 1718 V N 0.021 119.976 119.914 0.069 0.000 3.612 1718 V HA 0.334 4.454 4.120 -0.000 0.000 0.268 1718 V C 0.765 176.743 176.094 -0.194 0.000 1.365 1718 V CA 0.532 62.830 62.300 -0.002 0.000 1.044 1718 V CB 0.913 32.741 31.823 0.008 0.000 0.820 1718 V HN 0.340 nan 8.190 nan 0.000 0.444 1719 G N 0.570 109.291 108.800 -0.132 0.000 2.557 1719 G HA2 0.445 4.405 3.960 -0.000 0.000 0.292 1719 G HA3 0.445 4.405 3.960 -0.000 0.000 0.292 1719 G C 0.153 174.916 174.900 -0.227 0.000 1.237 1719 G CA 0.441 45.449 45.100 -0.154 0.000 0.978 1719 G HN 0.537 nan 8.290 nan 0.000 0.498 1720 S N -0.399 115.221 115.700 -0.134 0.000 2.686 1720 S HA 0.369 4.839 4.470 -0.000 0.000 0.270 1720 S C -1.756 172.853 174.600 0.016 0.000 1.194 1720 S CA -0.942 57.214 58.200 -0.074 0.000 0.990 1720 S CB 1.789 64.957 63.200 -0.053 0.000 1.029 1720 S HN 0.202 nan 8.310 nan 0.000 0.560 1721 P HA -0.060 nan 4.420 nan 0.000 0.219 1721 P C 1.210 178.544 177.300 0.056 0.000 1.146 1721 P CA 0.929 64.074 63.100 0.075 0.000 0.808 1721 P CB 0.023 31.768 31.700 0.076 0.000 0.779 1722 E N -0.655 119.563 120.200 0.030 0.000 2.153 1722 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 1722 E C 1.938 178.545 176.600 0.012 0.000 0.988 1722 E CA 0.933 57.344 56.400 0.019 0.000 0.811 1722 E CB -0.724 28.979 29.700 0.005 0.000 0.746 1722 E HN 0.159 nan 8.360 nan 0.000 0.466 1723 V N 0.524 120.443 119.914 0.009 0.000 2.548 1723 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 1723 V C 2.466 178.575 176.094 0.024 0.000 1.055 1723 V CA 0.926 63.226 62.300 0.001 0.000 1.065 1723 V CB -0.356 31.465 31.823 -0.003 0.000 0.681 1723 V HN 0.054 nan 8.190 nan 0.000 0.462 1724 V N 0.337 120.286 119.914 0.058 0.000 2.427 1724 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 1724 V C 2.550 178.685 176.094 0.068 0.000 1.051 1724 V CA 2.212 64.565 62.300 0.089 0.000 1.048 1724 V CB -0.814 31.095 31.823 0.143 0.000 0.666 1724 V HN 0.502 nan 8.190 nan 0.000 0.456 1725 R N 0.412 120.945 120.500 0.055 0.000 2.081 1725 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 1725 R C 2.269 178.581 176.300 0.019 0.000 1.131 1725 R CA 2.006 58.132 56.100 0.043 0.000 0.960 1725 R CB -0.208 30.115 30.300 0.038 0.000 0.856 1725 R HN 0.621 nan 8.270 nan 0.000 0.436 1726 E N -0.037 120.165 120.200 0.003 0.000 2.077 1726 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 1726 E C 1.979 178.551 176.600 -0.046 0.000 0.989 1726 E CA 1.232 57.617 56.400 -0.024 0.000 0.800 1726 E CB -0.128 29.546 29.700 -0.042 0.000 0.746 1726 E HN 0.492 nan 8.360 nan 0.000 0.452 1727 A N 0.942 123.739 122.820 -0.038 0.000 1.858 1727 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 1727 A C 2.530 180.098 177.584 -0.027 0.000 1.190 1727 A CA 1.449 53.451 52.037 -0.059 0.000 0.617 1727 A CB -0.792 18.202 19.000 -0.009 0.000 0.827 1727 A HN 0.110 nan 8.150 nan 0.000 0.443 1728 V N 0.657 120.577 119.914 0.011 0.000 2.237 1728 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 1728 V C 2.191 178.299 176.094 0.022 0.000 1.046 1728 V CA 2.324 64.639 62.300 0.024 0.000 1.007 1728 V CB -0.878 30.966 31.823 0.035 0.000 0.638 1728 V HN 0.500 nan 8.190 nan 0.000 0.445 1729 D N -0.445 119.967 120.400 0.019 0.000 2.149 1729 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 1729 D C 2.050 178.359 176.300 0.015 0.000 0.972 1729 D CA 1.050 55.061 54.000 0.019 0.000 0.835 1729 D CB 0.079 40.891 40.800 0.020 0.000 0.966 1729 D HN 0.291 nan 8.370 nan 0.000 0.476 1730 I N 0.227 120.798 120.570 0.001 0.000 2.522 1730 I HA -0.088 4.082 4.170 -0.000 0.000 0.240 1730 I C 2.001 178.116 176.117 -0.002 0.000 1.078 1730 I CA 0.408 61.706 61.300 -0.002 0.000 1.422 1730 I CB -0.892 37.098 38.000 -0.017 0.000 1.188 1730 I HN -0.030 nan 8.210 nan 0.000 0.442 1731 L N 1.074 122.261 121.223 -0.061 0.000 2.465 1731 L HA -0.008 4.332 4.340 -0.000 0.000 0.224 1731 L C 0.657 177.573 176.870 0.077 0.000 1.145 1731 L CA 0.588 55.368 54.840 -0.099 0.000 0.834 1731 L CB -1.036 40.712 42.059 -0.520 0.000 0.944 1731 L HN 0.263 nan 8.230 nan 0.000 0.451 1732 K N 0.036 120.470 120.400 0.057 0.000 3.125 1732 K HA -0.146 4.174 4.320 -0.000 0.000 0.268 1732 K C 0.109 176.784 176.600 0.126 0.000 1.078 1732 K CA 0.737 57.076 56.287 0.088 0.000 0.775 1732 K CB -2.750 29.806 32.500 0.094 0.000 1.253 1732 K HN 0.435 nan 8.250 nan 0.000 0.486 1733 T N -0.446 114.175 114.554 0.113 0.000 2.932 1733 T HA 0.118 4.468 4.350 -0.000 0.000 0.312 1733 T C 1.617 176.400 174.700 0.139 0.000 1.071 1733 T CA -0.250 61.944 62.100 0.156 0.000 1.128 1733 T CB 1.027 69.968 68.868 0.121 0.000 0.984 1733 T HN 0.202 nan 8.240 nan 0.000 0.549 1734 E N 0.864 121.183 120.200 0.198 0.000 2.340 1734 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 1734 E C 0.620 177.327 176.600 0.178 0.000 0.996 1734 E CA 0.415 56.943 56.400 0.214 0.000 0.869 1734 E CB 0.415 30.322 29.700 0.345 0.000 0.835 1734 E HN 0.437 nan 8.360 nan 0.000 0.493 1735 R N 0.420 121.043 120.500 0.205 0.000 2.771 1735 R HA 0.469 4.809 4.340 -0.000 0.000 0.274 1735 R C -1.289 175.069 176.300 0.097 0.000 0.987 1735 R CA -0.679 55.490 56.100 0.115 0.000 0.908 1735 R CB 2.599 32.973 30.300 0.122 0.000 1.213 1735 R HN -0.160 nan 8.270 nan 0.000 0.468 1736 V N 1.063 120.991 119.914 0.023 0.000 2.384 1736 V HA 0.395 4.515 4.120 -0.000 0.000 0.287 1736 V C 0.505 176.669 176.094 0.116 0.000 1.020 1736 V CA -0.776 61.571 62.300 0.077 0.000 0.850 1736 V CB 1.649 33.524 31.823 0.086 0.000 0.987 1736 V HN 0.937 nan 8.190 nan 0.000 0.436 1737 G N 3.201 112.058 108.800 0.096 0.000 2.365 1737 G HA2 0.469 4.429 3.960 -0.000 0.000 0.293 1737 G HA3 0.469 4.429 3.960 -0.000 0.000 0.293 1737 G C 0.385 175.260 174.900 -0.041 0.000 1.128 1737 G CA 0.396 45.475 45.100 -0.036 0.000 0.971 1737 G HN 0.968 nan 8.290 nan 0.000 0.422 1738 H N 2.186 121.113 119.070 -0.239 0.000 4.588 1738 H HA -0.288 4.268 4.556 -0.000 0.000 0.077 1738 H C 2.131 177.134 175.328 -0.541 0.000 0.621 1738 H CA 1.766 57.461 56.048 -0.588 0.000 0.984 1738 H CB -1.432 27.958 29.762 -0.620 0.000 0.679 1738 H HN 1.874 nan 8.280 nan 0.000 0.825 1739 G N 1.206 109.915 108.800 -0.153 0.000 2.258 1739 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.274 1739 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.274 1739 G C 0.497 175.370 174.900 -0.045 0.000 1.021 1739 G CA 1.440 46.574 45.100 0.057 0.000 0.798 1739 G HN 0.543 nan 8.290 nan 0.000 0.507 1740 Y N -0.757 119.552 120.300 0.014 0.000 2.200 1740 Y HA -0.007 4.543 4.550 -0.000 0.000 0.290 1740 Y C 2.511 178.218 175.900 -0.320 0.000 1.137 1740 Y CA 1.522 59.446 58.100 -0.294 0.000 1.163 1740 Y CB -0.821 37.337 38.460 -0.504 0.000 0.988 1740 Y HN 0.547 nan 8.280 nan 0.000 0.518 1741 H N -0.968 118.121 119.070 0.031 0.000 2.563 1741 H HA -0.044 4.512 4.556 -0.000 0.000 0.272 1741 H C 1.853 177.175 175.328 -0.011 0.000 1.005 1741 H CA 1.135 57.182 56.048 -0.001 0.000 1.171 1741 H CB -0.192 29.577 29.762 0.012 0.000 1.351 1741 H HN 0.233 nan 8.280 nan 0.000 0.602 1742 T N 1.154 115.754 114.554 0.076 0.000 2.720 1742 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 1742 T C 2.114 176.817 174.700 0.005 0.000 1.037 1742 T CA 1.491 63.641 62.100 0.084 0.000 1.144 1742 T CB -0.281 68.670 68.868 0.139 0.000 0.864 1742 T HN 0.607 nan 8.240 nan 0.000 0.444 1743 I N 0.327 120.777 120.570 -0.200 0.000 2.800 1743 I HA -0.113 4.057 4.170 -0.000 0.000 0.266 1743 I C 1.855 177.921 176.117 -0.085 0.000 1.249 1743 I CA 1.488 62.595 61.300 -0.322 0.000 1.458 1743 I CB -0.627 37.055 38.000 -0.530 0.000 1.093 1743 I HN 0.231 nan 8.210 nan 0.000 0.466 1744 E N 0.914 121.106 120.200 -0.014 0.000 2.347 1744 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 1744 E C 0.292 176.920 176.600 0.046 0.000 1.008 1744 E CA 0.656 57.072 56.400 0.027 0.000 0.852 1744 E CB -0.019 29.719 29.700 0.063 0.000 0.783 1744 E HN 0.476 nan 8.360 nan 0.000 0.505 1745 D N 0.508 120.949 120.400 0.068 0.000 2.460 1745 D HA 0.022 4.662 4.640 -0.000 0.000 0.268 1745 D C 0.692 177.069 176.300 0.128 0.000 1.153 1745 D CA -0.155 53.896 54.000 0.085 0.000 0.929 1745 D CB 0.435 41.286 40.800 0.085 0.000 1.015 1745 D HN -0.167 nan 8.370 nan 0.000 0.502 1746 E N 1.837 122.111 120.200 0.123 0.000 2.108 1746 E HA -0.269 4.081 4.350 -0.000 0.000 0.203 1746 E C 1.705 178.394 176.600 0.148 0.000 1.022 1746 E CA 1.479 57.980 56.400 0.167 0.000 0.823 1746 E CB -0.173 29.596 29.700 0.116 0.000 0.744 1746 E HN 0.612 nan 8.360 nan 0.000 0.456 1747 A N 1.081 123.960 122.820 0.099 0.000 1.908 1747 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 1747 A C 2.274 179.908 177.584 0.082 0.000 1.181 1747 A CA 1.571 53.651 52.037 0.072 0.000 0.627 1747 A CB -0.587 18.445 19.000 0.055 0.000 0.818 1747 A HN 0.253 nan 8.150 nan 0.000 0.445 1748 L N -1.865 119.425 121.223 0.112 0.000 2.056 1748 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 1748 L C 2.281 179.261 176.870 0.182 0.000 1.078 1748 L CA 2.201 57.117 54.840 0.127 0.000 0.749 1748 L CB -0.876 41.262 42.059 0.132 0.000 0.901 1748 L HN 0.489 nan 8.230 nan 0.000 0.433 1749 Y N 1.081 121.423 120.300 0.069 0.000 2.070 1749 Y HA -0.288 4.261 4.550 -0.000 0.000 0.280 1749 Y C 2.333 178.270 175.900 0.062 0.000 1.148 1749 Y CA 2.294 60.435 58.100 0.069 0.000 1.125 1749 Y CB -0.921 37.564 38.460 0.042 0.000 0.975 1749 Y HN 0.409 nan 8.280 nan 0.000 0.492 1750 N N -0.227 118.379 118.700 -0.156 0.000 2.289 1750 N HA -0.182 4.558 4.740 -0.000 0.000 0.184 1750 N C 2.017 177.449 175.510 -0.130 0.000 1.016 1750 N CA 1.179 54.086 53.050 -0.238 0.000 0.872 1750 N CB -0.273 38.150 38.487 -0.106 0.000 0.973 1750 N HN 0.349 nan 8.380 nan 0.000 0.433 1751 R N 0.584 121.059 120.500 -0.042 0.000 2.062 1751 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 1751 R C 1.509 177.801 176.300 -0.015 0.000 1.128 1751 R CA 0.987 57.078 56.100 -0.014 0.000 0.960 1751 R CB -0.217 30.095 30.300 0.020 0.000 0.855 1751 R HN 0.104 nan 8.270 nan 0.000 0.432 1752 L N 1.008 122.241 121.223 0.017 0.000 2.083 1752 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 1752 L C 2.215 179.077 176.870 -0.014 0.000 1.083 1752 L CA 1.228 56.091 54.840 0.039 0.000 0.752 1752 L CB -0.759 41.418 42.059 0.196 0.000 0.899 1752 L HN 0.219 nan 8.230 nan 0.000 0.433 1753 L N -0.595 120.572 121.223 -0.093 0.000 2.017 1753 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 1753 L C 2.456 179.278 176.870 -0.080 0.000 1.073 1753 L CA 1.708 56.469 54.840 -0.132 0.000 0.745 1753 L CB -0.684 41.194 42.059 -0.302 0.000 0.894 1753 L HN 0.203 nan 8.230 nan 0.000 0.432 1754 K N -0.496 119.858 120.400 -0.076 0.000 2.152 1754 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 1754 K C 1.530 178.113 176.600 -0.029 0.000 1.048 1754 K CA 1.487 57.747 56.287 -0.046 0.000 0.933 1754 K CB -0.111 32.366 32.500 -0.038 0.000 0.721 1754 K HN 0.442 nan 8.250 nan 0.000 0.447 1755 E N 0.504 120.687 120.200 -0.028 0.000 2.476 1755 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 1755 E C -0.300 176.285 176.600 -0.025 0.000 1.064 1755 E CA -0.217 56.171 56.400 -0.020 0.000 0.866 1755 E CB -0.174 29.517 29.700 -0.015 0.000 0.952 1755 E HN 0.276 nan 8.360 nan 0.000 0.492 1756 N N 1.281 119.963 118.700 -0.030 0.000 2.735 1756 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 1756 N C -0.372 175.104 175.510 -0.056 0.000 1.083 1756 N CA -0.234 52.801 53.050 -0.026 0.000 0.703 1756 N CB -0.502 37.981 38.487 -0.005 0.000 1.005 1756 N HN 0.108 nan 8.380 nan 0.000 0.550 1757 M N 1.796 121.321 119.600 -0.126 0.000 2.238 1757 M HA 0.095 4.575 4.480 -0.000 0.000 0.350 1757 M C -0.073 175.969 176.300 -0.429 0.000 1.321 1757 M CA 0.164 55.298 55.300 -0.277 0.000 1.097 1757 M CB 0.222 32.588 32.600 -0.391 0.000 1.713 1757 M HN 0.233 nan 8.290 nan 0.000 0.455 1758 H N 4.205 123.033 119.070 -0.403 0.000 2.562 1758 H HA 0.466 5.022 4.556 -0.000 0.000 0.314 1758 H C -1.641 173.442 175.328 -0.407 0.000 1.079 1758 H CA -0.145 55.726 56.048 -0.295 0.000 1.349 1758 H CB 0.388 30.064 29.762 -0.144 0.000 1.432 1758 H HN 0.613 nan 8.280 nan 0.000 0.479 1759 F N 3.030 122.802 119.950 -0.297 0.000 2.411 1759 F HA 0.215 4.742 4.527 -0.000 0.000 0.352 1759 F C 0.233 176.024 175.800 -0.015 0.000 1.123 1759 F CA -0.783 57.183 58.000 -0.056 0.000 1.044 1759 F CB 1.366 40.385 39.000 0.031 0.000 1.135 1759 F HN 0.571 nan 8.300 nan 0.000 0.461 1760 E N 3.048 123.387 120.200 0.232 0.000 1.893 1760 E HA 0.256 4.606 4.350 -0.000 0.000 0.269 1760 E C -0.791 175.807 176.600 -0.003 0.000 1.129 1760 E CA -0.374 56.111 56.400 0.143 0.000 0.904 1760 E CB 0.824 30.568 29.700 0.073 0.000 1.077 1760 E HN 0.277 nan 8.360 nan 0.000 0.407 1761 V N 3.419 123.450 119.914 0.196 0.000 2.432 1761 V HA 0.051 4.171 4.120 -0.000 0.000 0.271 1761 V C -0.030 176.145 176.094 0.136 0.000 1.046 1761 V CA -0.611 61.851 62.300 0.270 0.000 0.945 1761 V CB 0.827 32.833 31.823 0.305 0.000 0.992 1761 V HN 0.805 nan 8.190 nan 0.000 0.471 1762 C N 7.537 126.947 119.300 0.184 0.000 2.357 1762 C HA 0.332 4.792 4.460 -0.000 0.000 0.300 1762 C C -1.013 174.019 174.990 0.071 0.000 1.074 1762 C CA -1.082 58.014 59.018 0.131 0.000 1.566 1762 C CB 0.229 28.067 27.740 0.163 0.000 1.791 1762 C HN 0.666 nan 8.230 nan 0.000 0.415 1763 P HA -0.180 nan 4.420 nan 0.000 0.210 1763 P C 1.836 179.066 177.300 -0.116 0.000 1.185 1763 P CA 1.396 64.269 63.100 -0.379 0.000 0.924 1763 P CB -0.008 31.414 31.700 -0.463 0.000 0.786 1764 W N 0.302 121.478 121.300 -0.208 0.000 2.335 1764 W HA -0.231 4.428 4.660 -0.000 0.000 0.311 1764 W C 2.501 178.864 176.519 -0.261 0.000 1.213 1764 W CA 1.788 59.047 57.345 -0.144 0.000 1.274 1764 W CB -0.706 28.700 29.460 -0.090 0.000 1.148 1764 W HN -0.020 nan 8.180 nan 0.000 0.498 1765 S N 0.730 116.179 115.700 -0.419 0.000 2.372 1765 S HA -0.296 4.174 4.470 -0.000 0.000 0.227 1765 S C 2.088 176.380 174.600 -0.515 0.000 1.044 1765 S CA 2.903 60.547 58.200 -0.927 0.000 1.050 1765 S CB -0.948 62.154 63.200 -0.162 0.000 0.901 1765 S HN 0.433 nan 8.310 nan 0.000 0.447 1766 S N -0.462 115.176 115.700 -0.103 0.000 2.440 1766 S HA -0.168 4.302 4.470 -0.000 0.000 0.238 1766 S C 1.720 176.364 174.600 0.074 0.000 1.010 1766 S CA 1.256 59.483 58.200 0.045 0.000 0.972 1766 S CB -0.838 62.401 63.200 0.065 0.000 0.774 1766 S HN 0.760 nan 8.310 nan 0.000 0.501 1767 Y N 1.662 121.897 120.300 -0.109 0.000 2.206 1767 Y HA 0.214 4.764 4.550 -0.000 0.000 0.292 1767 Y C 1.866 177.577 175.900 -0.315 0.000 1.123 1767 Y CA 0.792 58.836 58.100 -0.094 0.000 1.142 1767 Y CB -0.506 37.887 38.460 -0.112 0.000 1.006 1767 Y HN 0.206 nan 8.280 nan 0.000 0.518 1768 L N 0.232 121.021 121.223 -0.723 0.000 2.291 1768 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 1768 L C 2.358 179.023 176.870 -0.341 0.000 1.120 1768 L CA 2.157 56.611 54.840 -0.644 0.000 0.799 1768 L CB -1.660 40.017 42.059 -0.638 0.000 0.925 1768 L HN 0.535 nan 8.230 nan 0.000 0.446 1769 T N -4.940 109.435 114.554 -0.299 0.000 3.086 1769 T HA 0.314 4.664 4.350 -0.000 0.000 0.250 1769 T C 1.484 176.130 174.700 -0.090 0.000 1.074 1769 T CA 0.483 62.506 62.100 -0.129 0.000 0.988 1769 T CB 0.249 69.039 68.868 -0.129 0.000 0.988 1769 T HN 0.361 nan 8.240 nan 0.000 0.530 1770 G N 0.897 109.604 108.800 -0.155 0.000 2.179 1770 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 1770 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 1770 G C 1.196 176.092 174.900 -0.007 0.000 0.977 1770 G CA 0.215 45.248 45.100 -0.112 0.000 0.641 1770 G HN 1.080 nan 8.290 nan 0.000 0.533 1771 A N -1.146 121.700 122.820 0.042 0.000 2.024 1771 A HA 0.253 4.573 4.320 -0.000 0.000 0.220 1771 A C 1.061 178.766 177.584 0.202 0.000 1.164 1771 A CA 1.890 54.030 52.037 0.172 0.000 0.643 1771 A CB -0.167 18.935 19.000 0.170 0.000 0.806 1771 A HN 1.513 nan 8.150 nan 0.000 0.451 1772 W N 0.692 121.932 121.300 -0.099 0.000 2.554 1772 W HA 0.527 5.187 4.660 -0.000 0.000 0.324 1772 W C -1.352 175.122 176.519 -0.075 0.000 1.018 1772 W CA -1.876 55.365 57.345 -0.174 0.000 1.243 1772 W CB 0.836 30.155 29.460 -0.235 0.000 1.345 1772 W HN 0.090 nan 8.180 nan 0.000 0.441 1773 D N 8.761 128.912 120.400 -0.414 0.000 2.342 1773 D HA 0.093 4.733 4.640 -0.000 0.000 0.260 1773 D C -0.934 174.744 176.300 -1.036 0.000 1.278 1773 D CA -1.911 51.785 54.000 -0.507 0.000 0.910 1773 D CB 1.537 42.190 40.800 -0.246 0.000 1.079 1773 D HN 0.264 nan 8.370 nan 0.000 0.496 1774 P HA -0.182 nan 4.420 nan 0.000 0.222 1774 P C 0.362 177.321 177.300 -0.568 0.000 1.142 1774 P CA 0.995 63.300 63.100 -1.326 0.000 0.788 1774 P CB 0.186 31.484 31.700 -0.669 0.000 0.767 1775 K N 0.050 120.234 120.400 -0.360 0.000 2.487 1775 K HA 0.064 4.384 4.320 -0.000 0.000 0.192 1775 K C 1.003 177.552 176.600 -0.086 0.000 1.027 1775 K CA 0.419 56.608 56.287 -0.162 0.000 1.054 1775 K CB -0.106 32.319 32.500 -0.125 0.000 0.824 1775 K HN 0.314 nan 8.250 nan 0.000 0.510 1776 T N -2.678 111.832 114.554 -0.074 0.000 2.908 1776 T HA 0.141 4.491 4.350 -0.000 0.000 0.290 1776 T C -0.059 174.800 174.700 0.265 0.000 1.034 1776 T CA -0.824 61.309 62.100 0.055 0.000 1.010 1776 T CB 1.917 70.797 68.868 0.020 0.000 1.068 1776 T HN -0.110 nan 8.240 nan 0.000 0.481 1777 T N 2.180 116.832 114.554 0.165 0.000 2.902 1777 T HA 0.069 4.419 4.350 -0.000 0.000 0.301 1777 T C 0.297 175.058 174.700 0.102 0.000 1.012 1777 T CA -0.194 61.994 62.100 0.145 0.000 1.151 1777 T CB -0.464 68.424 68.868 0.034 0.000 0.946 1777 T HN 0.699 nan 8.240 nan 0.000 0.542 1778 H N 3.721 122.693 119.070 -0.164 0.000 2.897 1778 H HA 0.162 4.718 4.556 -0.000 0.000 0.347 1778 H C 1.373 176.357 175.328 -0.574 0.000 1.068 1778 H CA 0.459 56.083 56.048 -0.706 0.000 1.426 1778 H CB 0.920 29.916 29.762 -1.278 0.000 1.410 1778 H HN 0.874 nan 8.280 nan 0.000 0.597 1779 A N 4.823 127.096 122.820 -0.912 0.000 2.076 1779 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 1779 A C 2.422 179.394 177.584 -1.020 0.000 1.160 1779 A CA 1.383 52.910 52.037 -0.849 0.000 0.653 1779 A CB -0.549 17.897 19.000 -0.923 0.000 0.801 1779 A HN 0.543 nan 8.150 nan 0.000 0.455 1780 V N -0.409 119.101 119.914 -0.673 0.000 2.970 1780 V HA -0.128 3.992 4.120 -0.000 0.000 0.260 1780 V C 2.263 178.186 176.094 -0.285 0.000 1.100 1780 V CA 1.773 63.685 62.300 -0.647 0.000 1.122 1780 V CB -0.199 31.340 31.823 -0.474 0.000 0.721 1780 V HN 0.367 nan 8.190 nan 0.000 0.483 1781 V N 0.276 120.074 119.914 -0.194 0.000 2.453 1781 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 1781 V C 2.560 178.606 176.094 -0.080 0.000 1.048 1781 V CA 2.146 64.407 62.300 -0.065 0.000 1.049 1781 V CB -0.786 31.003 31.823 -0.055 0.000 0.672 1781 V HN 0.543 nan 8.190 nan 0.000 0.457 1782 R N 0.129 120.560 120.500 -0.115 0.000 2.075 1782 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 1782 R C 2.033 178.461 176.300 0.213 0.000 1.126 1782 R CA 1.728 57.840 56.100 0.021 0.000 0.963 1782 R CB -0.654 29.627 30.300 -0.032 0.000 0.858 1782 R HN 0.355 nan 8.270 nan 0.000 0.435 1783 F N 1.427 121.301 119.950 -0.128 0.000 2.095 1783 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 1783 F C 2.196 177.986 175.800 -0.016 0.000 1.104 1783 F CA 1.518 59.457 58.000 -0.101 0.000 1.232 1783 F CB -1.097 37.650 39.000 -0.421 0.000 0.987 1783 F HN 0.158 nan 8.300 nan 0.000 0.475 1784 K N 0.336 120.785 120.400 0.082 0.000 2.026 1784 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 1784 K C 1.853 178.449 176.600 -0.008 0.000 1.048 1784 K CA 1.731 58.031 56.287 0.022 0.000 0.929 1784 K CB -0.186 32.111 32.500 -0.338 0.000 0.713 1784 K HN 0.114 nan 8.250 nan 0.000 0.439 1785 N N 1.476 120.168 118.700 -0.014 0.000 2.166 1785 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 1785 N C 0.684 176.212 175.510 0.030 0.000 1.019 1785 N CA 1.302 54.347 53.050 -0.009 0.000 0.856 1785 N CB -0.273 38.212 38.487 -0.002 0.000 0.993 1785 N HN 0.272 nan 8.380 nan 0.000 0.426 1786 D N 0.929 121.379 120.400 0.083 0.000 2.319 1786 D HA 0.025 4.665 4.640 -0.000 0.000 0.230 1786 D C 0.064 176.401 176.300 0.062 0.000 1.094 1786 D CA 0.119 54.163 54.000 0.072 0.000 0.856 1786 D CB 0.074 40.935 40.800 0.102 0.000 0.915 1786 D HN -0.007 nan 8.370 nan 0.000 0.517 1787 K N -0.268 120.178 120.400 0.076 0.000 3.077 1787 K HA -0.189 4.131 4.320 -0.000 0.000 0.264 1787 K C 0.139 176.803 176.600 0.107 0.000 1.008 1787 K CA 0.501 56.833 56.287 0.075 0.000 0.740 1787 K CB -2.286 30.230 32.500 0.027 0.000 1.273 1787 K HN 0.286 nan 8.250 nan 0.000 0.477 1788 A N 1.079 124.011 122.820 0.188 0.000 2.366 1788 A HA 0.180 4.500 4.320 -0.000 0.000 0.249 1788 A C 0.594 178.331 177.584 0.255 0.000 1.084 1788 A CA -0.113 52.034 52.037 0.183 0.000 0.794 1788 A CB 0.225 19.287 19.000 0.103 0.000 1.034 1788 A HN 0.461 nan 8.150 nan 0.000 0.491 1789 N N 0.664 119.458 118.700 0.156 0.000 2.439 1789 N HA 0.442 5.182 4.740 -0.000 0.000 0.243 1789 N C -1.215 174.271 175.510 -0.041 0.000 1.088 1789 N CA -0.191 52.893 53.050 0.056 0.000 0.940 1789 N CB 0.143 38.656 38.487 0.042 0.000 1.180 1789 N HN 0.605 nan 8.380 nan 0.000 0.505 1790 Y N 0.476 120.675 120.300 -0.169 0.000 2.655 1790 Y HA 0.624 5.174 4.550 -0.000 0.000 0.336 1790 Y C -1.214 174.651 175.900 -0.060 0.000 1.154 1790 Y CA -1.241 56.686 58.100 -0.289 0.000 1.055 1790 Y CB 0.736 39.299 38.460 0.172 0.000 1.295 1790 Y HN 0.219 nan 8.280 nan 0.000 0.465 1791 S N 1.292 117.099 115.700 0.177 0.000 2.570 1791 S HA 0.706 5.176 4.470 -0.000 0.000 0.286 1791 S C -1.772 172.995 174.600 0.279 0.000 1.099 1791 S CA -0.810 57.537 58.200 0.244 0.000 0.913 1791 S CB 1.989 65.422 63.200 0.389 0.000 1.085 1791 S HN 0.657 nan 8.310 nan 0.000 0.480 1792 L N 2.672 123.998 121.223 0.171 0.000 2.276 1792 L HA 0.551 4.891 4.340 -0.000 0.000 0.286 1792 L C -0.427 176.524 176.870 0.135 0.000 1.061 1792 L CA 0.160 55.037 54.840 0.062 0.000 0.807 1792 L CB 0.281 42.169 42.059 -0.285 0.000 1.177 1792 L HN 0.833 nan 8.230 nan 0.000 0.429 1793 N N 0.828 119.606 118.700 0.130 0.000 2.321 1793 N HA 0.453 5.193 4.740 -0.000 0.000 0.290 1793 N C 0.375 176.014 175.510 0.215 0.000 1.212 1793 N CA -0.621 52.542 53.050 0.188 0.000 0.767 1793 N CB 1.719 40.326 38.487 0.199 0.000 1.494 1793 N HN 0.404 nan 8.380 nan 0.000 0.479 1794 T N -0.610 114.109 114.554 0.275 0.000 3.009 1794 T HA -0.021 4.329 4.350 -0.000 0.000 0.258 1794 T C 0.447 175.426 174.700 0.466 0.000 1.063 1794 T CA 0.911 63.211 62.100 0.335 0.000 1.139 1794 T CB -0.309 68.734 68.868 0.292 0.000 0.890 1794 T HN 0.752 nan 8.240 nan 0.000 0.471 1795 D N 0.429 121.126 120.400 0.496 0.000 4.286 1795 D HA -0.142 4.498 4.640 -0.000 0.000 0.203 1795 D C -0.468 176.228 176.300 0.660 0.000 1.071 1795 D CA 1.893 56.290 54.000 0.663 0.000 2.291 1795 D CB -1.104 40.136 40.800 0.734 0.000 1.164 1795 D HN 0.459 nan 8.370 nan 0.000 0.407 1796 D N 0.140 120.902 120.400 0.604 0.000 2.517 1796 D HA 0.182 4.822 4.640 -0.000 0.000 0.263 1796 D C -1.946 174.474 176.300 0.200 0.000 1.233 1796 D CA -0.770 53.421 54.000 0.319 0.000 0.849 1796 D CB 1.950 42.823 40.800 0.123 0.000 1.261 1796 D HN 0.228 nan 8.370 nan 0.000 0.516 1797 P HA -0.177 nan 4.420 nan 0.000 0.219 1797 P C 1.695 179.088 177.300 0.155 0.000 1.146 1797 P CA 0.395 63.654 63.100 0.266 0.000 0.808 1797 P CB 0.755 32.584 31.700 0.215 0.000 0.779 1798 L N -0.015 121.244 121.223 0.059 0.000 1.988 1798 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 1798 L C 2.543 179.386 176.870 -0.045 0.000 1.071 1798 L CA 1.759 56.576 54.840 -0.039 0.000 0.744 1798 L CB -1.352 40.607 42.059 -0.167 0.000 0.893 1798 L HN -0.206 nan 8.230 nan 0.000 0.433 1799 I N -1.133 119.363 120.570 -0.124 0.000 2.394 1799 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 1799 I C 1.458 177.595 176.117 0.033 0.000 1.136 1799 I CA 0.860 62.093 61.300 -0.111 0.000 1.425 1799 I CB -0.281 37.603 38.000 -0.194 0.000 1.079 1799 I HN 0.182 nan 8.210 nan 0.000 0.425 1800 F N 1.296 121.396 119.950 0.250 0.000 2.765 1800 F HA 0.148 4.674 4.527 -0.000 0.000 0.302 1800 F C 0.985 177.025 175.800 0.400 0.000 1.111 1800 F CA -0.548 57.626 58.000 0.291 0.000 1.359 1800 F CB -0.725 38.452 39.000 0.296 0.000 1.097 1800 F HN -0.050 nan 8.300 nan 0.000 0.577 1801 K N 1.189 121.821 120.400 0.387 0.000 3.148 1801 K HA -0.190 4.130 4.320 -0.000 0.000 0.267 1801 K C 0.174 176.935 176.600 0.269 0.000 0.996 1801 K CA 0.750 57.201 56.287 0.274 0.000 0.737 1801 K CB -2.187 30.467 32.500 0.255 0.000 1.308 1801 K HN 0.451 nan 8.250 nan 0.000 0.470 1802 S N -1.790 114.081 115.700 0.284 0.000 2.740 1802 S HA 0.715 5.185 4.470 -0.000 0.000 0.300 1802 S C -0.292 174.380 174.600 0.121 0.000 1.147 1802 S CA -0.381 57.926 58.200 0.179 0.000 0.871 1802 S CB 2.994 66.368 63.200 0.290 0.000 1.173 1802 S HN 0.205 nan 8.310 nan 0.000 0.510 1803 T N -0.591 113.997 114.554 0.056 0.000 2.838 1803 T HA 0.479 4.829 4.350 -0.000 0.000 0.292 1803 T C 0.431 175.160 174.700 0.047 0.000 1.113 1803 T CA -0.611 61.507 62.100 0.031 0.000 1.008 1803 T CB 1.141 69.993 68.868 -0.028 0.000 1.259 1803 T HN 0.517 nan 8.240 nan 0.000 0.520 1804 L N 1.840 123.086 121.223 0.038 0.000 2.187 1804 L HA 0.081 4.421 4.340 -0.000 0.000 0.213 1804 L C 1.918 178.843 176.870 0.093 0.000 1.100 1804 L CA 2.101 56.996 54.840 0.092 0.000 0.765 1804 L CB -0.634 41.454 42.059 0.048 0.000 0.904 1804 L HN 0.821 nan 8.230 nan 0.000 0.437 1805 D N -2.008 118.377 120.400 -0.025 0.000 2.219 1805 D HA -0.145 4.495 4.640 -0.000 0.000 0.205 1805 D C 1.886 178.167 176.300 -0.031 0.000 0.970 1805 D CA 1.262 55.230 54.000 -0.053 0.000 0.851 1805 D CB 0.228 40.967 40.800 -0.103 0.000 0.943 1805 D HN 0.340 nan 8.370 nan 0.000 0.488 1806 T N -0.086 114.426 114.554 -0.071 0.000 2.684 1806 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 1806 T C 1.361 175.963 174.700 -0.164 0.000 1.036 1806 T CA 1.395 63.375 62.100 -0.200 0.000 1.148 1806 T CB -0.276 68.401 68.868 -0.318 0.000 0.863 1806 T HN 0.273 nan 8.240 nan 0.000 0.436 1807 D N 0.017 120.395 120.400 -0.038 0.000 2.144 1807 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 1807 D C 1.865 178.067 176.300 -0.162 0.000 0.978 1807 D CA 1.048 55.002 54.000 -0.076 0.000 0.833 1807 D CB -0.136 40.652 40.800 -0.019 0.000 0.961 1807 D HN 0.421 nan 8.370 nan 0.000 0.470 1808 Y N 1.516 121.699 120.300 -0.194 0.000 2.263 1808 Y HA -0.094 4.456 4.550 -0.000 0.000 0.292 1808 Y C 2.696 178.528 175.900 -0.113 0.000 1.130 1808 Y CA 0.778 58.727 58.100 -0.253 0.000 1.179 1808 Y CB -0.068 38.128 38.460 -0.440 0.000 0.998 1808 Y HN -0.109 nan 8.280 nan 0.000 0.532 1809 Q N -0.466 119.346 119.800 0.020 0.000 2.172 1809 Q HA -0.186 4.153 4.340 -0.000 0.000 0.200 1809 Q C 2.390 178.348 176.000 -0.071 0.000 0.964 1809 Q CA 1.245 57.041 55.803 -0.012 0.000 0.855 1809 Q CB -0.421 28.275 28.738 -0.069 0.000 0.918 1809 Q HN 0.579 nan 8.270 nan 0.000 0.444 1810 M N 0.810 120.322 119.600 -0.147 0.000 2.067 1810 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 1810 M C 2.219 178.373 176.300 -0.243 0.000 1.069 1810 M CA 2.279 57.459 55.300 -0.199 0.000 1.117 1810 M CB -0.228 32.234 32.600 -0.230 0.000 1.334 1810 M HN 0.294 nan 8.290 nan 0.000 0.407 1811 T N -1.592 112.747 114.554 -0.357 0.000 2.867 1811 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 1811 T C 1.771 176.350 174.700 -0.201 0.000 1.057 1811 T CA 1.531 63.271 62.100 -0.600 0.000 1.136 1811 T CB -0.431 67.657 68.868 -1.299 0.000 0.874 1811 T HN 0.481 nan 8.240 nan 0.000 0.466 1812 K N 1.306 121.729 120.400 0.040 0.000 1.973 1812 K HA -0.079 4.241 4.320 -0.000 0.000 0.210 1812 K C 2.442 179.081 176.600 0.065 0.000 1.045 1812 K CA 1.189 57.570 56.287 0.157 0.000 0.937 1812 K CB -0.143 32.519 32.500 0.269 0.000 0.721 1812 K HN 0.277 nan 8.250 nan 0.000 0.438 1813 K N 0.387 120.801 120.400 0.023 0.000 2.032 1813 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 1813 K C 0.079 176.675 176.600 -0.006 0.000 1.048 1813 K CA 1.458 57.747 56.287 0.003 0.000 0.927 1813 K CB -0.066 32.423 32.500 -0.020 0.000 0.712 1813 K HN 0.342 nan 8.250 nan 0.000 0.441 1814 D N -0.814 119.567 120.400 -0.031 0.000 2.252 1814 D HA 0.250 4.890 4.640 -0.000 0.000 0.245 1814 D C 0.650 176.925 176.300 -0.041 0.000 1.009 1814 D CA -0.280 53.703 54.000 -0.027 0.000 0.870 1814 D CB 1.874 42.654 40.800 -0.032 0.000 1.251 1814 D HN 0.015 nan 8.370 nan 0.000 0.460 1815 M N -0.261 119.338 119.600 -0.001 0.000 2.979 1815 M HA -0.200 4.280 4.480 -0.000 0.000 0.202 1815 M C 0.980 177.403 176.300 0.205 0.000 0.602 1815 M CA 0.896 56.234 55.300 0.065 0.000 0.774 1815 M CB -1.546 31.017 32.600 -0.061 0.000 2.769 1815 M HN 0.758 nan 8.290 nan 0.000 0.294 1816 G N 1.290 110.164 108.800 0.123 0.000 2.395 1816 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.300 1816 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.300 1816 G C -0.277 174.678 174.900 0.092 0.000 0.998 1816 G CA 0.410 45.563 45.100 0.088 0.000 1.046 1816 G HN 0.427 nan 8.290 nan 0.000 0.513 1817 F N 0.941 120.769 119.950 -0.203 0.000 2.429 1817 F HA 0.517 5.044 4.527 -0.000 0.000 0.348 1817 F C 1.488 176.973 175.800 -0.525 0.000 1.109 1817 F CA -0.079 57.669 58.000 -0.419 0.000 1.232 1817 F CB 1.035 39.702 39.000 -0.555 0.000 1.157 1817 F HN 0.287 nan 8.300 nan 0.000 0.564 1818 T N -1.401 112.844 114.554 -0.514 0.000 2.938 1818 T HA 0.293 4.643 4.350 -0.000 0.000 0.285 1818 T C 0.947 175.345 174.700 -0.504 0.000 1.028 1818 T CA -0.717 61.157 62.100 -0.377 0.000 1.005 1818 T CB 1.480 70.207 68.868 -0.235 0.000 1.157 1818 T HN 0.691 nan 8.240 nan 0.000 0.550 1819 E N 0.235 120.350 120.200 -0.141 0.000 2.077 1819 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 1819 E C 1.606 178.148 176.600 -0.097 0.000 0.989 1819 E CA 1.500 57.926 56.400 0.044 0.000 0.800 1819 E CB -0.077 29.715 29.700 0.155 0.000 0.746 1819 E HN 0.764 nan 8.360 nan 0.000 0.452 1820 E N 0.647 120.766 120.200 -0.134 0.000 2.077 1820 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 1820 E C 1.911 178.394 176.600 -0.194 0.000 0.989 1820 E CA 1.398 57.717 56.400 -0.134 0.000 0.800 1820 E CB -0.170 29.465 29.700 -0.108 0.000 0.746 1820 E HN 0.195 nan 8.360 nan 0.000 0.452 1821 E N -0.072 119.947 120.200 -0.301 0.000 2.150 1821 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 1821 E C 1.378 177.814 176.600 -0.273 0.000 0.985 1821 E CA 0.847 57.045 56.400 -0.336 0.000 0.814 1821 E CB -0.177 29.213 29.700 -0.516 0.000 0.752 1821 E HN 0.185 nan 8.360 nan 0.000 0.466 1822 F N 1.024 120.783 119.950 -0.317 0.000 2.113 1822 F HA -0.006 4.521 4.527 -0.000 0.000 0.297 1822 F C 2.114 177.585 175.800 -0.549 0.000 1.103 1822 F CA 1.191 58.850 58.000 -0.569 0.000 1.248 1822 F CB -0.649 37.594 39.000 -1.263 0.000 0.999 1822 F HN 0.014 nan 8.300 nan 0.000 0.475 1823 K N -0.153 120.054 120.400 -0.321 0.000 2.032 1823 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 1823 K C 2.300 178.914 176.600 0.022 0.000 1.048 1823 K CA 1.433 57.602 56.287 -0.196 0.000 0.927 1823 K CB -0.263 32.028 32.500 -0.349 0.000 0.712 1823 K HN 0.088 nan 8.250 nan 0.000 0.441 1824 R N 1.614 122.081 120.500 -0.056 0.000 2.081 1824 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 1824 R C 2.389 178.659 176.300 -0.050 0.000 1.131 1824 R CA 1.429 57.506 56.100 -0.038 0.000 0.960 1824 R CB -0.291 29.964 30.300 -0.075 0.000 0.856 1824 R HN 0.283 nan 8.270 nan 0.000 0.436 1825 L N -0.935 120.220 121.223 -0.113 0.000 2.201 1825 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 1825 L C 0.858 177.720 176.870 -0.014 0.000 1.105 1825 L CA 1.968 56.688 54.840 -0.200 0.000 0.775 1825 L CB -1.007 40.787 42.059 -0.441 0.000 0.913 1825 L HN 0.149 nan 8.230 nan 0.000 0.440 1826 N N 0.690 119.452 118.700 0.105 0.000 2.270 1826 N HA 0.022 4.762 4.740 -0.000 0.000 0.181 1826 N C 2.022 177.633 175.510 0.169 0.000 1.016 1826 N CA 1.160 54.335 53.050 0.207 0.000 0.870 1826 N CB -0.048 38.668 38.487 0.382 0.000 0.979 1826 N HN 0.339 nan 8.380 nan 0.000 0.431 1827 I N 0.686 121.347 120.570 0.152 0.000 2.315 1827 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 1827 I C 1.768 177.938 176.117 0.090 0.000 1.117 1827 I CA 0.721 62.090 61.300 0.116 0.000 1.404 1827 I CB -0.145 37.924 38.000 0.115 0.000 1.071 1827 I HN 0.199 nan 8.210 nan 0.000 0.419 1828 N N 1.087 119.830 118.700 0.072 0.000 2.120 1828 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 1828 N C 1.892 177.456 175.510 0.090 0.000 1.024 1828 N CA 1.595 54.691 53.050 0.076 0.000 0.852 1828 N CB -0.250 38.268 38.487 0.052 0.000 1.003 1828 N HN 0.340 nan 8.380 nan 0.000 0.424 1829 A N 0.739 123.627 122.820 0.112 0.000 1.933 1829 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 1829 A C 2.346 179.906 177.584 -0.041 0.000 1.175 1829 A CA 1.904 53.971 52.037 0.049 0.000 0.628 1829 A CB -0.773 18.309 19.000 0.136 0.000 0.814 1829 A HN 0.323 nan 8.150 nan 0.000 0.444 1830 A N -0.097 122.732 122.820 0.015 0.000 1.877 1830 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 1830 A C 2.105 179.644 177.584 -0.075 0.000 1.186 1830 A CA 1.775 53.796 52.037 -0.026 0.000 0.620 1830 A CB -0.444 18.557 19.000 0.001 0.000 0.822 1830 A HN 0.527 nan 8.150 nan 0.000 0.443 1831 K N 0.045 120.422 120.400 -0.038 0.000 2.147 1831 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 1831 K C 1.704 178.244 176.600 -0.100 0.000 1.049 1831 K CA 1.449 57.709 56.287 -0.044 0.000 0.936 1831 K CB -0.111 32.390 32.500 0.002 0.000 0.722 1831 K HN 0.394 nan 8.250 nan 0.000 0.446 1832 S N 1.033 116.629 115.700 -0.173 0.000 2.593 1832 S HA 0.003 4.473 4.470 -0.000 0.000 0.217 1832 S C 0.546 174.853 174.600 -0.489 0.000 0.966 1832 S CA -0.189 57.818 58.200 -0.321 0.000 0.914 1832 S CB 0.060 62.956 63.200 -0.506 0.000 0.776 1832 S HN 0.348 nan 8.310 nan 0.000 0.523 1833 S N 0.967 116.459 115.700 -0.347 0.000 2.580 1833 S HA 0.224 4.694 4.470 -0.000 0.000 0.266 1833 S C 0.016 174.409 174.600 -0.346 0.000 1.354 1833 S CA -0.219 57.780 58.200 -0.334 0.000 1.008 1833 S CB -0.024 63.079 63.200 -0.162 0.000 0.898 1833 S HN 0.194 nan 8.310 nan 0.000 0.555 1834 F N 0.242 120.105 119.950 -0.145 0.000 2.730 1834 F HA 0.453 4.980 4.527 -0.000 0.000 0.295 1834 F C 0.152 175.910 175.800 -0.071 0.000 1.143 1834 F CA -1.102 56.697 58.000 -0.336 0.000 1.367 1834 F CB -0.635 38.211 39.000 -0.257 0.000 0.970 1834 F HN 0.324 nan 8.300 nan 0.000 0.514 1835 L N 1.487 122.753 121.223 0.072 0.000 2.418 1835 L HA 0.465 4.805 4.340 -0.000 0.000 0.265 1835 L C -2.043 174.860 176.870 0.055 0.000 1.143 1835 L CA -2.383 52.478 54.840 0.036 0.000 0.809 1835 L CB 0.354 42.306 42.059 -0.178 0.000 1.124 1835 L HN -0.117 nan 8.230 nan 0.000 0.456 1836 P HA 0.059 nan 4.420 nan 0.000 0.271 1836 P C 0.360 177.673 177.300 0.022 0.000 1.233 1836 P CA -0.261 62.876 63.100 0.063 0.000 0.789 1836 P CB 0.508 32.239 31.700 0.052 0.000 0.951 1837 E N 1.093 121.308 120.200 0.026 0.000 2.097 1837 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 1837 E C 1.490 178.084 176.600 -0.011 0.000 1.000 1837 E CA 1.797 58.201 56.400 0.006 0.000 0.804 1837 E CB -0.226 29.482 29.700 0.013 0.000 0.740 1837 E HN 0.489 nan 8.360 nan 0.000 0.454 1838 E N 0.620 120.816 120.200 -0.006 0.000 2.077 1838 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 1838 E C 2.013 178.598 176.600 -0.026 0.000 0.989 1838 E CA 1.299 57.691 56.400 -0.012 0.000 0.800 1838 E CB -0.274 29.424 29.700 -0.003 0.000 0.746 1838 E HN 0.390 nan 8.360 nan 0.000 0.452 1839 E N 0.741 120.922 120.200 -0.033 0.000 2.107 1839 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 1839 E C 1.963 178.498 176.600 -0.107 0.000 0.982 1839 E CA 0.675 57.039 56.400 -0.060 0.000 0.809 1839 E CB -0.068 29.598 29.700 -0.056 0.000 0.756 1839 E HN 0.119 nan 8.360 nan 0.000 0.459 1840 K N 1.584 121.920 120.400 -0.107 0.000 2.097 1840 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 1840 K C 2.105 178.654 176.600 -0.085 0.000 1.049 1840 K CA 1.230 57.439 56.287 -0.129 0.000 0.933 1840 K CB 0.083 32.526 32.500 -0.094 0.000 0.717 1840 K HN -0.130 nan 8.250 nan 0.000 0.442 1841 K N 0.908 121.273 120.400 -0.057 0.000 2.057 1841 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 1841 K C 1.692 178.268 176.600 -0.040 0.000 1.050 1841 K CA 1.621 57.883 56.287 -0.042 0.000 0.935 1841 K CB 0.131 32.610 32.500 -0.034 0.000 0.715 1841 K HN 0.179 nan 8.250 nan 0.000 0.439 1842 E N 0.532 120.706 120.200 -0.043 0.000 2.110 1842 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 1842 E C 1.983 178.559 176.600 -0.039 0.000 0.988 1842 E CA 0.942 57.321 56.400 -0.034 0.000 0.804 1842 E CB -0.045 29.637 29.700 -0.030 0.000 0.745 1842 E HN 0.299 nan 8.360 nan 0.000 0.458 1843 L N 0.503 121.686 121.223 -0.067 0.000 2.027 1843 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 1843 L C 2.233 179.082 176.870 -0.036 0.000 1.074 1843 L CA 1.121 55.917 54.840 -0.073 0.000 0.745 1843 L CB -0.086 41.881 42.059 -0.153 0.000 0.898 1843 L HN 0.204 nan 8.230 nan 0.000 0.433 1844 L N -0.479 120.738 121.223 -0.010 0.000 2.141 1844 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 1844 L C 2.438 179.376 176.870 0.114 0.000 1.094 1844 L CA 1.196 56.082 54.840 0.077 0.000 0.763 1844 L CB -0.408 41.696 42.059 0.075 0.000 0.908 1844 L HN 0.253 nan 8.230 nan 0.000 0.437 1845 E N -0.478 119.740 120.200 0.030 0.000 2.077 1845 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 1845 E C 2.333 178.950 176.600 0.028 0.000 0.989 1845 E CA 0.691 57.105 56.400 0.024 0.000 0.800 1845 E CB -0.080 29.616 29.700 -0.007 0.000 0.746 1845 E HN 0.281 nan 8.360 nan 0.000 0.452 1846 R N 0.856 121.351 120.500 -0.008 0.000 2.073 1846 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 1846 R C 2.424 178.661 176.300 -0.104 0.000 1.134 1846 R CA 0.952 57.030 56.100 -0.037 0.000 0.952 1846 R CB -0.383 29.896 30.300 -0.035 0.000 0.850 1846 R HN 0.206 nan 8.270 nan 0.000 0.433 1847 L N -0.624 120.499 121.223 -0.166 0.000 1.989 1847 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 1847 L C 2.415 178.959 176.870 -0.544 0.000 1.071 1847 L CA 1.634 56.182 54.840 -0.487 0.000 0.749 1847 L CB -0.723 41.058 42.059 -0.462 0.000 0.890 1847 L HN 0.207 nan 8.230 nan 0.000 0.431 1848 Y N -0.255 119.901 120.300 -0.239 0.000 2.224 1848 Y HA -0.250 4.300 4.550 -0.000 0.000 0.289 1848 Y C 2.869 178.750 175.900 -0.032 0.000 1.146 1848 Y CA 1.472 59.524 58.100 -0.079 0.000 1.182 1848 Y CB -0.292 38.155 38.460 -0.023 0.000 0.983 1848 Y HN 0.087 nan 8.280 nan 0.000 0.524 1849 R N 0.740 121.290 120.500 0.084 0.000 2.075 1849 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 1849 R C 1.487 177.808 176.300 0.035 0.000 1.126 1849 R CA 1.880 58.013 56.100 0.055 0.000 0.963 1849 R CB -0.162 30.153 30.300 0.026 0.000 0.858 1849 R HN 0.396 nan 8.270 nan 0.000 0.435 1850 E N -0.864 119.323 120.200 -0.020 0.000 2.481 1850 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 1850 E C 0.609 177.311 176.600 0.169 0.000 1.047 1850 E CA 0.182 56.593 56.400 0.019 0.000 0.867 1850 E CB 0.316 29.998 29.700 -0.030 0.000 0.858 1850 E HN 0.408 nan 8.360 nan 0.000 0.513 1851 Y N 0.868 121.161 120.300 -0.011 0.000 2.462 1851 Y HA 0.135 4.685 4.550 -0.000 0.000 0.261 1851 Y C 1.293 177.195 175.900 0.004 0.000 1.146 1851 Y CA -0.117 57.973 58.100 -0.016 0.000 1.283 1851 Y CB 0.060 38.483 38.460 -0.061 0.000 1.090 1851 Y HN -0.055 nan 8.280 nan 0.000 0.526 1852 Q N 0.000 119.903 119.800 0.171 0.000 2.315 1852 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1852 Q CA 0.000 55.874 55.803 0.118 0.000 1.022 1852 Q CB 0.000 28.798 28.738 0.099 0.000 1.108 1852 Q HN 0.000 nan 8.270 nan 0.000 0.481