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 3n85_1_A DATA FIRST_RESID 1 DATA SEQUENCE TQVcTGTDMK LRLPASPETH LDMLRHLYQG cQVVQGNLEL TYLPTNASLS DATA SEQUENCE FLQDIQEVQG YVLIAHNQVR QVPLQRLRIV RGTQLFEDNY ALAVLDNGDP DATA SEQUENCE XXXXXXXXXX SPGGLRELQL RSLTEILKGG VLIQRNPQLc YQDTILWKDI DATA SEQUENCE FHKNNQLALT LIDTNRSRAc HPcSPMcKGS RcWGESSEDc QSLTRTVcAG DATA SEQUENCE GcARcKGPLP TDccHEQcAA GcTGPKHSDc LAcLHFNHSG IcELHcPXXX DATA SEQUENCE XXNTDTFESM PNPEGRYTFG AScVTAcPYN YLSTDVGScT LVcPLHNQEV DATA SEQUENCE TAEDGTQRcE KcSKPcARVc YGLGMEHLRE VRAVTSANIQ EFAGcKKIFG DATA SEQUENCE SLAFLPESFD GDPASNTAPL QPEQLQVFET LEEITGYLYI SAWPDSLPDL DATA SEQUENCE SVFQNLQVIR GRILHNGAYS LTLQGLGISW LGLRSLRELG SGLALIHHNT DATA SEQUENCE HLcFVHTVPW DQLFRNPHQA LLHTANRPED EcVGEGLAcH QLcARGHcWG DATA SEQUENCE PGPTQcVNcS QFLRGQEcVE EcRVLQGLPR EYVNARHcLP cHPEcQPQNG DATA SEQUENCE SVTcFGPEAD QcVAcAHYKD PPFcVARcPS GVKPDLSYMP IWKFPDEEGA DATA SEQUENCE cQPcPINcTH ScVDLDDKGc 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.710 174.700 0.016 0.000 1.109 1 T CA 0.000 62.194 62.100 0.156 0.000 1.349 1 T CB 0.000 68.974 68.868 0.177 0.000 0.612 2 Q N -0.218 119.600 119.800 0.031 0.000 2.402 2 Q HA 0.431 4.771 4.340 0.000 0.000 0.231 2 Q C 0.234 176.244 176.000 0.017 0.000 0.888 2 Q CA 0.045 55.857 55.803 0.015 0.000 0.938 2 Q CB 0.518 29.277 28.738 0.035 0.000 1.086 2 Q HN 0.371 nan 8.270 nan 0.000 0.543 3 V N 2.814 122.760 119.914 0.053 0.000 2.394 3 V HA 0.360 4.480 4.120 0.000 0.000 0.282 3 V C 0.007 176.143 176.094 0.071 0.000 1.031 3 V CA -0.900 61.448 62.300 0.081 0.000 0.881 3 V CB 1.083 33.015 31.823 0.182 0.000 0.982 3 V HN 0.576 nan 8.190 nan 0.000 0.451 4 c N 2.283 120.914 118.600 0.053 0.000 2.889 4 c HA 0.794 5.364 4.570 0.000 0.000 0.307 4 c C 0.400 174.520 174.090 0.048 0.000 1.251 4 c CA -0.617 55.729 56.329 0.027 0.000 1.593 4 c CB 1.193 43.683 42.510 -0.034 0.000 2.104 4 c HN 0.726 nan 8.230 nan 0.000 0.476 5 T N 1.786 116.348 114.554 0.013 0.000 2.860 5 T HA 0.526 4.876 4.350 0.000 0.000 0.299 5 T C 0.876 175.568 174.700 -0.013 0.000 1.045 5 T CA 0.696 62.800 62.100 0.007 0.000 1.071 5 T CB 0.682 69.532 68.868 -0.029 0.000 0.985 5 T HN 1.191 nan 8.240 nan 0.000 0.537 6 G N 0.689 109.495 108.800 0.010 0.000 2.543 6 G HA2 0.593 4.553 3.960 0.000 0.000 0.267 6 G HA3 0.593 4.553 3.960 0.000 0.000 0.267 6 G C -0.000 174.884 174.900 -0.027 0.000 1.406 6 G CA -0.593 44.533 45.100 0.043 0.000 1.048 6 G HN 0.854 nan 8.290 nan 0.000 0.548 7 T N -3.003 111.554 114.554 0.005 0.000 2.938 7 T HA 0.576 4.926 4.350 0.000 0.000 0.285 7 T C -1.309 173.381 174.700 -0.016 0.000 1.028 7 T CA -0.578 61.507 62.100 -0.024 0.000 1.005 7 T CB 2.267 71.145 68.868 0.017 0.000 1.157 7 T HN 0.378 nan 8.240 nan 0.000 0.550 8 D N 0.417 120.816 120.400 -0.001 0.000 2.668 8 D HA 0.260 4.900 4.640 0.000 0.000 0.247 8 D C 0.334 176.661 176.300 0.045 0.000 1.268 8 D CA -0.481 53.543 54.000 0.039 0.000 0.842 8 D CB 0.076 40.888 40.800 0.021 0.000 1.399 8 D HN 0.702 nan 8.370 nan 0.000 0.530 9 M N -0.542 119.118 119.600 0.099 0.000 2.268 9 M HA 0.326 4.806 4.480 0.000 0.000 0.355 9 M C 0.610 177.007 176.300 0.162 0.000 0.938 9 M CA -0.337 55.018 55.300 0.092 0.000 1.025 9 M CB 0.337 32.986 32.600 0.083 0.000 1.773 9 M HN -0.078 nan 8.290 nan 0.000 0.613 10 K N 1.260 121.808 120.400 0.247 0.000 1.721 10 K HA -0.227 4.093 4.320 0.000 0.000 0.121 10 K C 0.669 177.443 176.600 0.288 0.000 1.152 10 K CA 2.156 58.652 56.287 0.348 0.000 0.360 10 K CB -1.457 31.255 32.500 0.354 0.000 0.626 10 K HN 0.393 nan 8.250 nan 0.000 0.878 11 L N 1.064 122.460 121.223 0.288 0.000 2.628 11 L HA 0.131 4.471 4.340 0.000 0.000 0.229 11 L C 0.992 177.995 176.870 0.223 0.000 1.137 11 L CA -0.168 54.832 54.840 0.267 0.000 0.909 11 L CB -0.029 42.200 42.059 0.283 0.000 1.137 11 L HN 0.250 nan 8.230 nan 0.000 0.470 12 R N 1.275 121.868 120.500 0.155 0.000 2.489 12 R HA 0.134 4.474 4.340 0.000 0.000 0.287 12 R C -0.217 176.050 176.300 -0.055 0.000 1.053 12 R CA -0.234 55.897 56.100 0.052 0.000 1.036 12 R CB 0.603 30.923 30.300 0.033 0.000 0.966 12 R HN 0.080 nan 8.270 nan 0.000 0.432 13 L N 7.265 128.350 121.223 -0.231 0.000 2.462 13 L HA 0.203 4.543 4.340 0.000 0.000 0.272 13 L C -1.819 174.808 176.870 -0.405 0.000 1.166 13 L CA -1.477 53.001 54.840 -0.603 0.000 0.880 13 L CB 0.758 42.513 42.059 -0.506 0.000 1.142 13 L HN 0.598 nan 8.230 nan 0.000 0.473 14 P HA -0.090 nan 4.420 nan 0.000 0.263 14 P C -0.031 177.166 177.300 -0.172 0.000 1.168 14 P CA 0.363 63.264 63.100 -0.332 0.000 0.759 14 P CB 0.799 32.181 31.700 -0.529 0.000 0.782 15 A N 2.724 125.511 122.820 -0.056 0.000 1.969 15 A HA 0.009 4.329 4.320 0.000 0.000 0.218 15 A C 0.911 178.451 177.584 -0.074 0.000 1.169 15 A CA 1.615 53.653 52.037 0.002 0.000 0.635 15 A CB -0.416 18.649 19.000 0.107 0.000 0.810 15 A HN 0.579 nan 8.150 nan 0.000 0.445 16 S N -1.821 113.757 115.700 -0.202 0.000 2.775 16 S HA 0.535 5.005 4.470 0.000 0.000 0.277 16 S C -2.480 172.037 174.600 -0.137 0.000 1.156 16 S CA -1.099 56.915 58.200 -0.310 0.000 1.081 16 S CB 1.852 64.532 63.200 -0.867 0.000 1.054 16 S HN 0.016 nan 8.310 nan 0.000 0.482 17 P HA -0.009 nan 4.420 nan 0.000 0.223 17 P C 1.324 178.640 177.300 0.027 0.000 1.151 17 P CA 0.708 63.789 63.100 -0.031 0.000 0.787 17 P CB 0.193 31.858 31.700 -0.058 0.000 0.788 18 E N -0.111 120.084 120.200 -0.009 0.000 2.070 18 E HA -0.133 4.217 4.350 0.000 0.000 0.197 18 E C 1.175 177.779 176.600 0.007 0.000 1.004 18 E CA 2.045 58.448 56.400 0.004 0.000 0.805 18 E CB -1.086 28.611 29.700 -0.004 0.000 0.744 18 E HN 0.371 nan 8.360 nan 0.000 0.451 19 T N -2.275 112.268 114.554 -0.018 0.000 3.293 19 T HA 0.169 4.519 4.350 0.000 0.000 0.276 19 T C 0.918 175.639 174.700 0.036 0.000 1.003 19 T CA -0.264 61.825 62.100 -0.019 0.000 0.916 19 T CB 0.001 68.823 68.868 -0.078 0.000 1.134 19 T HN 0.096 nan 8.240 nan 0.000 0.530 20 H N 1.214 120.278 119.070 -0.009 0.000 2.372 20 H HA 0.291 4.847 4.556 0.000 0.000 0.301 20 H C 1.800 177.158 175.328 0.050 0.000 1.065 20 H CA 1.204 57.271 56.048 0.031 0.000 1.364 20 H CB -0.202 29.581 29.762 0.035 0.000 1.406 20 H HN 0.355 nan 8.280 nan 0.000 0.521 21 L N 0.042 121.236 121.223 -0.049 0.000 2.093 21 L HA -0.103 4.237 4.340 0.000 0.000 0.208 21 L C 1.439 178.230 176.870 -0.130 0.000 1.085 21 L CA 1.844 56.643 54.840 -0.069 0.000 0.755 21 L CB -0.239 41.868 42.059 0.080 0.000 0.904 21 L HN 0.250 nan 8.230 nan 0.000 0.435 22 D N -0.491 119.861 120.400 -0.079 0.000 2.149 22 D HA -0.258 4.382 4.640 0.000 0.000 0.198 22 D C 2.092 178.367 176.300 -0.041 0.000 0.990 22 D CA 1.390 55.361 54.000 -0.049 0.000 0.839 22 D CB -0.143 40.660 40.800 0.005 0.000 0.948 22 D HN 0.303 nan 8.370 nan 0.000 0.460 23 M N 0.349 119.885 119.600 -0.106 0.000 2.115 23 M HA -0.184 4.296 4.480 0.000 0.000 0.258 23 M C 2.014 178.155 176.300 -0.266 0.000 1.071 23 M CA 1.498 56.700 55.300 -0.164 0.000 1.100 23 M CB -0.702 31.826 32.600 -0.119 0.000 1.292 23 M HN 0.076 nan 8.290 nan 0.000 0.415 24 L N -0.496 120.550 121.223 -0.295 0.000 2.021 24 L HA -0.306 4.034 4.340 0.000 0.000 0.215 24 L C 2.789 179.346 176.870 -0.522 0.000 1.074 24 L CA 1.930 56.645 54.840 -0.209 0.000 0.760 24 L CB -0.894 41.198 42.059 0.055 0.000 0.889 24 L HN 0.441 nan 8.230 nan 0.000 0.433 25 R N -0.965 118.947 120.500 -0.980 0.000 2.080 25 R HA -0.179 4.161 4.340 0.000 0.000 0.236 25 R C 2.477 178.342 176.300 -0.725 0.000 1.137 25 R CA 1.579 56.752 56.100 -1.544 0.000 0.943 25 R CB -0.258 29.421 30.300 -1.034 0.000 0.846 25 R HN 0.457 nan 8.270 nan 0.000 0.431 26 H N -0.200 118.600 119.070 -0.450 0.000 2.353 26 H HA -0.156 4.400 4.556 0.000 0.000 0.300 26 H C 2.128 177.281 175.328 -0.292 0.000 1.090 26 H CA 1.581 57.455 56.048 -0.290 0.000 1.327 26 H CB -0.014 29.595 29.762 -0.254 0.000 1.383 26 H HN 0.162 nan 8.280 nan 0.000 0.508 27 L N 0.179 121.227 121.223 -0.292 0.000 2.046 27 L HA -0.189 4.151 4.340 0.000 0.000 0.208 27 L C 1.631 178.213 176.870 -0.480 0.000 1.077 27 L CA 1.670 56.221 54.840 -0.482 0.000 0.747 27 L CB -0.430 41.165 42.059 -0.774 0.000 0.896 27 L HN 0.197 nan 8.230 nan 0.000 0.432 28 Y N -2.499 117.754 120.300 -0.078 0.000 2.481 28 Y HA 0.191 4.741 4.550 0.000 0.000 0.258 28 Y C 0.912 176.840 175.900 0.048 0.000 1.103 28 Y CA -0.613 57.505 58.100 0.031 0.000 1.287 28 Y CB 0.053 38.634 38.460 0.203 0.000 1.108 28 Y HN 0.087 nan 8.280 nan 0.000 0.529 29 Q N 1.422 121.284 119.800 0.103 0.000 2.362 29 Q HA 0.177 4.517 4.340 0.000 0.000 0.305 29 Q C 1.147 177.169 176.000 0.038 0.000 1.120 29 Q CA 1.290 57.145 55.803 0.086 0.000 1.011 29 Q CB -0.050 28.674 28.738 -0.025 0.000 1.048 29 Q HN 0.612 nan 8.270 nan 0.000 0.386 30 G N 2.472 111.308 108.800 0.060 0.000 2.253 30 G HA2 -0.352 3.608 3.960 0.000 0.000 0.251 30 G HA3 -0.352 3.608 3.960 0.000 0.000 0.251 30 G C 0.445 175.336 174.900 -0.014 0.000 0.998 30 G CA -0.139 44.975 45.100 0.022 0.000 0.621 30 G HN 1.002 nan 8.290 nan 0.000 0.524 31 c N 1.052 119.643 118.600 -0.015 0.000 2.642 31 c HA 0.592 5.162 4.570 0.000 0.000 0.420 31 c C 1.800 175.903 174.090 0.021 0.000 1.349 31 c CA 1.309 57.639 56.329 0.000 0.000 1.821 31 c CB 0.617 43.177 42.510 0.084 0.000 2.637 31 c HN 0.639 nan 8.230 nan 0.000 0.605 32 Q N 2.463 122.267 119.800 0.006 0.000 2.532 32 Q HA 0.249 4.589 4.340 0.000 0.000 0.247 32 Q C -0.372 175.619 176.000 -0.015 0.000 0.872 32 Q CA 0.389 56.187 55.803 -0.007 0.000 0.963 32 Q CB 0.620 29.355 28.738 -0.005 0.000 1.159 32 Q HN 0.649 nan 8.270 nan 0.000 0.598 33 V N 1.978 121.889 119.914 -0.005 0.000 2.384 33 V HA 0.249 4.369 4.120 0.000 0.000 0.287 33 V C -0.512 175.583 176.094 0.002 0.000 1.020 33 V CA -0.533 61.755 62.300 -0.019 0.000 0.850 33 V CB 1.761 33.564 31.823 -0.033 0.000 0.987 33 V HN -0.041 nan 8.190 nan 0.000 0.436 34 V N 5.695 125.609 119.914 -0.001 0.000 2.339 34 V HA 0.208 4.328 4.120 0.000 0.000 0.261 34 V C 0.628 176.720 176.094 -0.003 0.000 1.058 34 V CA -0.479 61.843 62.300 0.038 0.000 0.897 34 V CB 1.052 32.902 31.823 0.045 0.000 1.052 34 V HN 0.797 nan 8.190 nan 0.000 0.480 35 Q N 4.290 124.092 119.800 0.003 0.000 3.107 35 Q HA 0.382 4.722 4.340 0.000 0.000 0.268 35 Q C 0.735 176.736 176.000 0.000 0.000 1.382 35 Q CA 0.545 56.336 55.803 -0.020 0.000 0.927 35 Q CB 0.518 29.260 28.738 0.007 0.000 1.755 35 Q HN 1.053 nan 8.270 nan 0.000 0.545 36 G N 0.943 109.729 108.800 -0.024 0.000 2.403 36 G HA2 -0.069 3.891 3.960 0.000 0.000 0.223 36 G HA3 -0.069 3.891 3.960 0.000 0.000 0.223 36 G C -1.251 173.583 174.900 -0.110 0.000 1.287 36 G CA -0.971 44.101 45.100 -0.046 0.000 0.982 36 G HN 0.330 nan 8.290 nan 0.000 0.471 37 N N 0.525 119.110 118.700 -0.192 0.000 2.438 37 N HA 0.484 5.224 4.740 0.000 0.000 0.282 37 N C -0.787 174.613 175.510 -0.183 0.000 1.037 37 N CA -0.406 52.414 53.050 -0.384 0.000 0.942 37 N CB 2.218 40.178 38.487 -0.878 0.000 1.136 37 N HN 0.505 nan 8.380 nan 0.000 0.481 38 L N 1.961 123.084 121.223 -0.167 0.000 2.312 38 L HA 0.221 4.561 4.340 0.000 0.000 0.287 38 L C -0.197 176.630 176.870 -0.071 0.000 1.091 38 L CA 0.050 54.823 54.840 -0.112 0.000 0.846 38 L CB -0.219 41.720 42.059 -0.200 0.000 1.219 38 L HN 0.415 nan 8.230 nan 0.000 0.439 39 E N 6.387 126.602 120.200 0.026 0.000 2.102 39 E HA 0.322 4.672 4.350 0.000 0.000 0.263 39 E C -1.038 175.630 176.600 0.112 0.000 0.894 39 E CA -0.263 56.181 56.400 0.074 0.000 0.746 39 E CB 1.147 30.921 29.700 0.123 0.000 1.129 39 E HN 0.557 nan 8.360 nan 0.000 0.416 40 L N 3.939 125.197 121.223 0.058 0.000 2.321 40 L HA 0.301 4.641 4.340 0.000 0.000 0.272 40 L C 0.081 177.008 176.870 0.095 0.000 1.050 40 L CA -0.469 54.420 54.840 0.081 0.000 0.893 40 L CB 0.345 42.402 42.059 -0.005 0.000 1.272 40 L HN 0.467 nan 8.230 nan 0.000 0.435 41 T N -2.726 111.947 114.554 0.200 0.000 2.932 41 T HA 0.500 4.850 4.350 0.000 0.000 0.289 41 T C 0.067 174.938 174.700 0.286 0.000 1.039 41 T CA -0.603 61.597 62.100 0.166 0.000 1.024 41 T CB 1.150 70.153 68.868 0.226 0.000 1.090 41 T HN 0.419 nan 8.240 nan 0.000 0.496 42 Y N -0.534 119.841 120.300 0.125 0.000 3.168 42 Y HA -0.152 4.398 4.550 0.000 0.000 0.207 42 Y C -0.067 175.905 175.900 0.120 0.000 1.280 42 Y CA -0.174 57.973 58.100 0.079 0.000 1.235 42 Y CB -1.900 36.526 38.460 -0.057 0.000 1.370 42 Y HN 0.566 nan 8.280 nan 0.000 0.537 43 L N 3.185 124.528 121.223 0.199 0.000 2.264 43 L HA 0.399 4.739 4.340 0.000 0.000 0.289 43 L C -1.654 175.290 176.870 0.124 0.000 1.044 43 L CA -2.013 52.933 54.840 0.176 0.000 0.807 43 L CB 0.904 43.042 42.059 0.132 0.000 1.192 43 L HN -0.109 nan 8.230 nan 0.000 0.425 44 P HA -0.032 nan 4.420 nan 0.000 0.271 44 P C 0.569 177.909 177.300 0.067 0.000 1.244 44 P CA -0.264 62.892 63.100 0.092 0.000 0.793 44 P CB 0.856 32.611 31.700 0.091 0.000 0.984 45 T N 0.051 114.637 114.554 0.053 0.000 2.674 45 T HA -0.153 4.197 4.350 0.000 0.000 0.265 45 T C 1.545 176.265 174.700 0.034 0.000 1.039 45 T CA 2.104 64.227 62.100 0.038 0.000 1.150 45 T CB -1.166 67.721 68.868 0.032 0.000 0.864 45 T HN 0.656 nan 8.240 nan 0.000 0.427 46 N N 0.695 119.417 118.700 0.037 0.000 2.571 46 N HA 0.192 4.932 4.740 0.000 0.000 0.189 46 N C 0.671 176.203 175.510 0.037 0.000 1.154 46 N CA 0.181 53.250 53.050 0.033 0.000 0.907 46 N CB -0.222 38.284 38.487 0.032 0.000 0.977 46 N HN 0.414 nan 8.380 nan 0.000 0.449 47 A N 1.509 124.359 122.820 0.049 0.000 2.583 47 A HA -0.027 4.293 4.320 0.000 0.000 0.249 47 A C 0.527 178.140 177.584 0.048 0.000 1.035 47 A CA 0.248 52.324 52.037 0.065 0.000 0.777 47 A CB -0.049 19.000 19.000 0.081 0.000 0.942 47 A HN 0.407 nan 8.150 nan 0.000 0.516 48 S N 2.747 118.488 115.700 0.069 0.000 2.422 48 S HA 0.423 4.893 4.470 0.000 0.000 0.283 48 S C 0.342 174.978 174.600 0.060 0.000 1.163 48 S CA -0.566 57.667 58.200 0.056 0.000 1.054 48 S CB -0.409 62.836 63.200 0.074 0.000 0.967 48 S HN 0.589 nan 8.310 nan 0.000 0.499 49 L N 4.791 125.951 121.223 -0.104 0.000 3.066 49 L HA 0.194 4.534 4.340 0.000 0.000 0.265 49 L C 1.893 178.430 176.870 -0.554 0.000 1.232 49 L CA -0.149 54.426 54.840 -0.442 0.000 1.031 49 L CB 0.090 41.920 42.059 -0.381 0.000 1.379 49 L HN 0.791 nan 8.230 nan 0.000 0.563 50 S N 0.132 115.691 115.700 -0.234 0.000 2.537 50 S HA -0.182 4.288 4.470 0.000 0.000 0.240 50 S C 1.639 176.169 174.600 -0.117 0.000 0.981 50 S CA 0.623 58.734 58.200 -0.149 0.000 0.948 50 S CB -0.684 62.492 63.200 -0.040 0.000 0.759 50 S HN 0.586 nan 8.310 nan 0.000 0.531 51 F N 0.529 120.465 119.950 -0.023 0.000 2.661 51 F HA 0.414 4.941 4.527 0.000 0.000 0.298 51 F C 1.370 177.163 175.800 -0.012 0.000 1.137 51 F CA -0.244 57.748 58.000 -0.014 0.000 1.454 51 F CB -0.624 38.371 39.000 -0.008 0.000 1.103 51 F HN 0.124 nan 8.300 nan 0.000 0.577 52 L N 1.090 122.082 121.223 -0.383 0.000 2.509 52 L HA -0.014 4.326 4.340 0.000 0.000 0.222 52 L C 2.511 179.281 176.870 -0.167 0.000 1.123 52 L CA 0.505 55.182 54.840 -0.273 0.000 0.856 52 L CB -0.727 41.068 42.059 -0.440 0.000 0.985 52 L HN 0.326 nan 8.230 nan 0.000 0.456 53 Q N -0.667 119.052 119.800 -0.135 0.000 2.561 53 Q HA -0.175 4.165 4.340 0.000 0.000 0.217 53 Q C 0.455 176.412 176.000 -0.072 0.000 0.980 53 Q CA 1.219 56.959 55.803 -0.105 0.000 0.927 53 Q CB -0.074 28.613 28.738 -0.085 0.000 0.980 53 Q HN 0.356 nan 8.270 nan 0.000 0.525 54 D N 0.399 120.769 120.400 -0.049 0.000 2.417 54 D HA 0.217 4.857 4.640 0.000 0.000 0.207 54 D C 0.021 176.294 176.300 -0.045 0.000 1.075 54 D CA -0.147 53.833 54.000 -0.034 0.000 0.851 54 D CB 0.380 41.177 40.800 -0.006 0.000 0.976 54 D HN 0.255 nan 8.370 nan 0.000 0.505 55 I N 1.631 122.160 120.570 -0.068 0.000 2.742 55 I HA -0.113 4.057 4.170 0.000 0.000 0.287 55 I C 1.541 177.604 176.117 -0.090 0.000 1.186 55 I CA 0.750 61.999 61.300 -0.085 0.000 1.417 55 I CB 0.810 38.723 38.000 -0.145 0.000 1.377 55 I HN -0.089 nan 8.210 nan 0.000 0.556 56 Q N 4.539 124.296 119.800 -0.072 0.000 2.322 56 Q HA 0.226 4.566 4.340 0.000 0.000 0.250 56 Q C -0.044 175.914 176.000 -0.070 0.000 0.853 56 Q CA 0.200 55.961 55.803 -0.069 0.000 0.951 56 Q CB 1.025 29.733 28.738 -0.050 0.000 1.114 56 Q HN 0.724 nan 8.270 nan 0.000 0.523 57 E N -0.141 120.019 120.200 -0.067 0.000 2.347 57 E HA 0.357 4.707 4.350 0.000 0.000 0.285 57 E C -1.910 174.652 176.600 -0.064 0.000 0.925 57 E CA -0.472 55.890 56.400 -0.064 0.000 0.779 57 E CB 2.243 31.907 29.700 -0.059 0.000 1.233 57 E HN -0.046 nan 8.360 nan 0.000 0.414 58 V N 4.927 124.804 119.914 -0.062 0.000 2.487 58 V HA 0.187 4.307 4.120 0.000 0.000 0.298 58 V C 0.804 176.867 176.094 -0.051 0.000 1.028 58 V CA -0.510 61.755 62.300 -0.058 0.000 0.860 58 V CB 1.612 33.398 31.823 -0.062 0.000 0.991 58 V HN 0.822 nan 8.190 nan 0.000 0.427 59 Q N 2.477 122.243 119.800 -0.058 0.000 2.062 59 Q HA 0.023 4.363 4.340 0.000 0.000 0.196 59 Q C 1.586 177.568 176.000 -0.030 0.000 0.967 59 Q CA 1.546 57.314 55.803 -0.057 0.000 0.832 59 Q CB 0.229 28.926 28.738 -0.068 0.000 0.899 59 Q HN 0.969 nan 8.270 nan 0.000 0.442 60 G N -0.013 108.762 108.800 -0.042 0.000 3.311 60 G HA2 0.143 4.103 3.960 0.000 0.000 0.169 60 G HA3 0.143 4.103 3.960 0.000 0.000 0.169 60 G C -0.206 174.730 174.900 0.061 0.000 1.852 60 G CA 0.058 45.145 45.100 -0.022 0.000 1.010 60 G HN 0.292 nan 8.290 nan 0.000 0.530 61 Y N -2.275 118.064 120.300 0.065 0.000 2.602 61 Y HA 0.748 5.298 4.550 0.000 0.000 0.330 61 Y C -0.667 175.254 175.900 0.035 0.000 1.114 61 Y CA -1.735 56.410 58.100 0.074 0.000 1.182 61 Y CB 1.477 40.020 38.460 0.138 0.000 1.305 61 Y HN 0.213 nan 8.280 nan 0.000 0.502 62 V N 3.101 123.151 119.914 0.227 0.000 2.357 62 V HA 0.354 4.474 4.120 0.000 0.000 0.284 62 V C -1.096 175.072 176.094 0.123 0.000 1.018 62 V CA -0.555 61.800 62.300 0.091 0.000 0.841 62 V CB 1.164 33.000 31.823 0.021 0.000 0.991 62 V HN 0.693 nan 8.190 nan 0.000 0.437 63 L N 7.773 129.042 121.223 0.078 0.000 2.345 63 L HA 0.638 4.978 4.340 0.000 0.000 0.274 63 L C -0.673 176.147 176.870 -0.084 0.000 0.999 63 L CA 0.235 55.035 54.840 -0.066 0.000 0.849 63 L CB 1.052 43.065 42.059 -0.077 0.000 1.220 63 L HN 0.556 nan 8.230 nan 0.000 0.422 64 I N 5.604 126.108 120.570 -0.111 0.000 2.337 64 I HA 0.730 4.900 4.170 0.000 0.000 0.285 64 I C -0.039 176.004 176.117 -0.123 0.000 1.041 64 I CA -0.189 61.059 61.300 -0.087 0.000 1.199 64 I CB 1.090 39.050 38.000 -0.068 0.000 1.370 64 I HN 0.757 nan 8.210 nan 0.000 0.470 65 A N 4.232 126.982 122.820 -0.117 0.000 2.549 65 A HA 0.599 4.919 4.320 0.000 0.000 0.297 65 A C -0.055 177.417 177.584 -0.186 0.000 1.061 65 A CA -0.444 51.492 52.037 -0.168 0.000 0.690 65 A CB 0.827 19.743 19.000 -0.141 0.000 1.287 65 A HN 0.749 nan 8.150 nan 0.000 0.402 66 H N 0.297 119.175 119.070 -0.320 0.000 2.770 66 H HA -0.130 4.426 4.556 0.000 0.000 0.309 66 H C -0.303 174.818 175.328 -0.345 0.000 1.206 66 H CA 1.249 57.014 56.048 -0.473 0.000 1.147 66 H CB -1.091 28.000 29.762 -1.119 0.000 1.422 66 H HN 0.660 nan 8.280 nan 0.000 0.420 67 N N 0.981 119.613 118.700 -0.114 0.000 2.405 67 N HA 0.132 4.872 4.740 0.000 0.000 0.299 67 N C 1.091 176.591 175.510 -0.017 0.000 1.075 67 N CA -0.538 52.491 53.050 -0.035 0.000 0.884 67 N CB 1.582 40.055 38.487 -0.023 0.000 1.194 67 N HN 0.218 nan 8.380 nan 0.000 0.491 68 Q N 0.097 119.909 119.800 0.019 0.000 2.384 68 Q HA 0.114 4.454 4.340 0.000 0.000 0.207 68 Q C 0.556 176.566 176.000 0.017 0.000 0.904 68 Q CA -0.061 55.754 55.803 0.019 0.000 0.933 68 Q CB 0.344 29.105 28.738 0.038 0.000 1.077 68 Q HN 0.403 nan 8.270 nan 0.000 0.522 69 V N 1.978 121.904 119.914 0.020 0.000 2.901 69 V HA -0.107 4.013 4.120 0.000 0.000 0.307 69 V C 1.313 177.409 176.094 0.003 0.000 1.084 69 V CA 0.569 62.878 62.300 0.014 0.000 1.184 69 V CB 0.670 32.501 31.823 0.013 0.000 0.941 69 V HN 0.243 nan 8.190 nan 0.000 0.493 70 R N 3.137 123.640 120.500 0.004 0.000 2.200 70 R HA 0.133 4.473 4.340 0.000 0.000 0.208 70 R C 0.147 176.452 176.300 0.007 0.000 1.033 70 R CA 0.553 56.657 56.100 0.008 0.000 1.000 70 R CB 0.121 30.429 30.300 0.013 0.000 0.906 70 R HN 0.886 nan 8.270 nan 0.000 0.462 71 Q N -0.246 119.551 119.800 -0.007 0.000 2.426 71 Q HA 0.333 4.673 4.340 0.000 0.000 0.278 71 Q C -1.117 174.854 176.000 -0.048 0.000 1.007 71 Q CA -0.905 54.888 55.803 -0.016 0.000 0.850 71 Q CB 1.886 30.619 28.738 -0.008 0.000 1.427 71 Q HN -0.038 nan 8.270 nan 0.000 0.391 72 V N -1.345 118.530 119.914 -0.065 0.000 2.370 72 V HA 0.563 4.683 4.120 0.000 0.000 0.283 72 V C -2.468 173.547 176.094 -0.131 0.000 1.023 72 V CA -2.024 60.209 62.300 -0.111 0.000 0.857 72 V CB 1.009 32.763 31.823 -0.114 0.000 0.985 72 V HN 0.725 nan 8.190 nan 0.000 0.443 73 P HA 0.313 nan 4.420 nan 0.000 0.231 73 P C -0.019 177.176 177.300 -0.175 0.000 1.811 73 P CA 0.035 63.043 63.100 -0.152 0.000 1.051 73 P CB 0.254 31.863 31.700 -0.151 0.000 1.951 74 L N 1.478 122.595 121.223 -0.177 0.000 2.928 74 L HA 0.157 4.497 4.340 0.000 0.000 0.236 74 L C 1.572 178.319 176.870 -0.204 0.000 1.290 74 L CA -0.043 54.681 54.840 -0.194 0.000 1.099 74 L CB -0.105 41.834 42.059 -0.200 0.000 1.437 74 L HN 0.069 nan 8.230 nan 0.000 0.493 75 Q N -0.067 119.624 119.800 -0.181 0.000 2.291 75 Q HA -0.101 4.239 4.340 0.000 0.000 0.206 75 Q C 1.815 177.711 176.000 -0.175 0.000 0.976 75 Q CA 1.298 56.989 55.803 -0.187 0.000 0.875 75 Q CB 0.019 28.672 28.738 -0.141 0.000 0.927 75 Q HN 0.353 nan 8.270 nan 0.000 0.450 76 R N -0.562 119.849 120.500 -0.148 0.000 2.317 76 R HA 0.184 4.524 4.340 0.000 0.000 0.208 76 R C -0.046 176.178 176.300 -0.127 0.000 0.914 76 R CA -0.191 55.836 56.100 -0.122 0.000 1.060 76 R CB 0.168 30.412 30.300 -0.093 0.000 1.015 76 R HN 0.229 nan 8.270 nan 0.000 0.498 77 L N 1.984 123.113 121.223 -0.156 0.000 2.562 77 L HA 0.003 4.343 4.340 0.000 0.000 0.271 77 L C 0.871 177.656 176.870 -0.142 0.000 1.167 77 L CA 0.525 55.277 54.840 -0.147 0.000 0.917 77 L CB 0.430 42.387 42.059 -0.170 0.000 1.187 77 L HN 0.133 nan 8.230 nan 0.000 0.482 78 R N 4.497 124.937 120.500 -0.101 0.000 2.175 78 R HA 0.343 4.683 4.340 0.000 0.000 0.202 78 R C 0.026 176.293 176.300 -0.055 0.000 1.018 78 R CA 0.369 56.422 56.100 -0.079 0.000 1.029 78 R CB 0.725 30.991 30.300 -0.058 0.000 0.959 78 R HN 0.573 nan 8.270 nan 0.000 0.480 79 I N 0.982 121.522 120.570 -0.049 0.000 2.649 79 I HA 0.216 4.386 4.170 0.000 0.000 0.289 79 I C -1.511 174.592 176.117 -0.024 0.000 1.222 79 I CA -1.139 60.145 61.300 -0.026 0.000 1.046 79 I CB 2.094 40.075 38.000 -0.032 0.000 1.272 79 I HN -0.203 nan 8.210 nan 0.000 0.425 80 V N 5.176 125.096 119.914 0.010 0.000 2.435 80 V HA 0.604 4.724 4.120 0.000 0.000 0.290 80 V C 0.523 176.631 176.094 0.024 0.000 1.030 80 V CA -0.252 62.060 62.300 0.020 0.000 0.881 80 V CB 1.673 33.530 31.823 0.056 0.000 0.983 80 V HN 0.928 nan 8.190 nan 0.000 0.445 81 R N 3.630 124.127 120.500 -0.005 0.000 2.140 81 R HA 0.320 4.660 4.340 0.000 0.000 0.213 81 R C 1.595 177.896 176.300 0.001 0.000 1.059 81 R CA 0.705 56.785 56.100 -0.032 0.000 1.000 81 R CB 0.045 30.298 30.300 -0.077 0.000 0.910 81 R HN 1.408 nan 8.270 nan 0.000 0.455 82 G N 1.112 109.940 108.800 0.046 0.000 2.176 82 G HA2 -0.277 3.683 3.960 0.000 0.000 0.252 82 G HA3 -0.277 3.683 3.960 0.000 0.000 0.252 82 G C 0.677 175.613 174.900 0.059 0.000 1.024 82 G CA 0.696 45.847 45.100 0.085 0.000 0.755 82 G HN 0.322 nan 8.290 nan 0.000 0.507 83 T N -0.674 113.900 114.554 0.033 0.000 2.803 83 T HA 0.008 4.358 4.350 0.000 0.000 0.269 83 T C 1.146 175.883 174.700 0.062 0.000 1.052 83 T CA 1.854 63.968 62.100 0.024 0.000 1.136 83 T CB 0.076 68.946 68.868 0.002 0.000 0.864 83 T HN 0.689 nan 8.240 nan 0.000 0.467 84 Q N -0.145 119.723 119.800 0.113 0.000 2.377 84 Q HA 0.677 5.017 4.340 0.000 0.000 0.271 84 Q C -1.279 174.912 176.000 0.318 0.000 1.077 84 Q CA -0.576 55.342 55.803 0.190 0.000 0.820 84 Q CB 2.428 31.294 28.738 0.213 0.000 1.347 84 Q HN 0.259 nan 8.270 nan 0.000 0.444 85 L N 1.668 123.030 121.223 0.232 0.000 2.362 85 L HA 0.516 4.856 4.340 0.000 0.000 0.271 85 L C -0.708 176.088 176.870 -0.124 0.000 1.002 85 L CA -0.953 53.962 54.840 0.125 0.000 0.818 85 L CB 1.258 43.322 42.059 0.007 0.000 1.298 85 L HN 0.566 nan 8.230 nan 0.000 0.420 86 F N 2.200 121.787 119.950 -0.605 0.000 2.484 86 F HA 0.103 4.630 4.527 0.000 0.000 0.360 86 F C 1.154 176.819 175.800 -0.224 0.000 1.101 86 F CA 0.014 57.560 58.000 -0.758 0.000 1.251 86 F CB 0.238 38.755 39.000 -0.804 0.000 1.132 86 F HN 0.680 nan 8.300 nan 0.000 0.570 87 E N 2.965 122.606 120.200 -0.931 0.000 2.660 87 E HA -0.382 3.968 4.350 0.000 0.000 0.260 87 E C 0.335 176.734 176.600 -0.336 0.000 1.122 87 E CA 1.001 57.050 56.400 -0.587 0.000 0.755 87 E CB -1.018 28.406 29.700 -0.461 0.000 1.345 87 E HN 0.859 nan 8.360 nan 0.000 0.421 88 D N -1.589 118.646 120.400 -0.276 0.000 3.077 88 D HA -0.220 4.420 4.640 0.000 0.000 0.217 88 D C 0.385 176.535 176.300 -0.250 0.000 1.162 88 D CA 1.741 55.622 54.000 -0.198 0.000 0.943 88 D CB -0.890 39.815 40.800 -0.158 0.000 1.122 88 D HN 0.524 nan 8.370 nan 0.000 0.413 89 N N -1.724 116.741 118.700 -0.391 0.000 2.200 89 N HA 0.053 4.793 4.740 0.000 0.000 0.233 89 N C -0.445 174.724 175.510 -0.568 0.000 1.236 89 N CA 0.102 52.791 53.050 -0.603 0.000 0.845 89 N CB 0.645 38.515 38.487 -1.028 0.000 1.257 89 N HN 0.182 nan 8.380 nan 0.000 0.472 90 Y N 0.119 120.414 120.300 -0.009 0.000 2.377 90 Y HA 0.582 5.132 4.550 0.000 0.000 0.339 90 Y C 0.924 176.875 175.900 0.084 0.000 1.011 90 Y CA -0.751 57.376 58.100 0.045 0.000 1.093 90 Y CB 1.976 40.491 38.460 0.092 0.000 1.201 90 Y HN -0.094 nan 8.280 nan 0.000 0.455 91 A N 2.412 125.399 122.820 0.279 0.000 2.063 91 A HA 0.230 4.550 4.320 0.000 0.000 0.211 91 A C -0.245 177.490 177.584 0.252 0.000 1.177 91 A CA 0.447 52.641 52.037 0.262 0.000 0.759 91 A CB 0.355 19.494 19.000 0.232 0.000 0.857 91 A HN 0.550 nan 8.150 nan 0.000 0.468 92 L N -0.454 120.892 121.223 0.205 0.000 2.404 92 L HA 0.766 5.106 4.340 0.000 0.000 0.272 92 L C -0.747 176.131 176.870 0.013 0.000 0.980 92 L CA -0.485 54.423 54.840 0.114 0.000 0.836 92 L CB 1.566 43.694 42.059 0.115 0.000 1.238 92 L HN 0.145 nan 8.230 nan 0.000 0.408 93 A N 5.062 127.839 122.820 -0.071 0.000 2.332 93 A HA 0.761 5.081 4.320 0.000 0.000 0.300 93 A C -1.371 176.079 177.584 -0.224 0.000 1.153 93 A CA -0.493 51.413 52.037 -0.218 0.000 0.764 93 A CB 1.390 20.148 19.000 -0.402 0.000 1.174 93 A HN 0.487 nan 8.150 nan 0.000 0.467 94 V N 4.658 124.463 119.914 -0.182 0.000 2.304 94 V HA 0.424 4.544 4.120 0.000 0.000 0.278 94 V C -0.413 175.583 176.094 -0.163 0.000 1.018 94 V CA -0.060 62.155 62.300 -0.141 0.000 0.814 94 V CB 0.399 32.180 31.823 -0.069 0.000 1.021 94 V HN 0.762 nan 8.190 nan 0.000 0.440 95 L N 3.015 124.123 121.223 -0.193 0.000 2.386 95 L HA 0.593 4.933 4.340 0.000 0.000 0.271 95 L C -0.217 176.482 176.870 -0.285 0.000 0.993 95 L CA -0.923 53.793 54.840 -0.207 0.000 0.819 95 L CB 1.996 43.946 42.059 -0.183 0.000 1.294 95 L HN 0.595 nan 8.230 nan 0.000 0.414 96 D N 1.738 121.970 120.400 -0.281 0.000 2.803 96 D HA -0.193 4.447 4.640 0.000 0.000 0.233 96 D C -0.588 175.505 176.300 -0.346 0.000 1.182 96 D CA 0.692 54.471 54.000 -0.368 0.000 0.726 96 D CB -0.923 39.479 40.800 -0.662 0.000 0.987 96 D HN 0.413 nan 8.370 nan 0.000 0.412 97 N N 1.621 120.200 118.700 -0.202 0.000 2.546 97 N HA 0.534 5.274 4.740 0.000 0.000 0.238 97 N C 0.550 176.006 175.510 -0.090 0.000 0.984 97 N CA 0.403 53.369 53.050 -0.140 0.000 0.935 97 N CB 1.537 39.962 38.487 -0.103 0.000 1.122 97 N HN 0.533 nan 8.380 nan 0.000 0.510 98 G N 1.850 110.607 108.800 -0.072 0.000 2.674 98 G HA2 -0.174 3.786 3.960 0.000 0.000 0.686 98 G HA3 -0.174 3.786 3.960 0.000 0.000 0.686 98 G C -1.258 173.619 174.900 -0.038 0.000 1.195 98 G CA -1.007 44.069 45.100 -0.040 0.000 0.776 98 G HN 0.386 nan 8.290 nan 0.000 0.654 99 D N 2.129 122.521 120.400 -0.014 0.000 2.399 99 D HA 0.492 5.132 4.640 0.000 0.000 0.241 99 D C -0.489 175.803 176.300 -0.014 0.000 1.133 99 D CA -0.090 53.908 54.000 -0.004 0.000 0.890 99 D CB 0.630 41.436 40.800 0.010 0.000 1.201 99 D HN 0.468 nan 8.370 nan 0.000 0.432 112 P HA 0.577 nan 4.420 nan 0.000 0.277 112 P C 0.145 177.449 177.300 0.006 0.000 1.240 112 P CA 0.016 63.119 63.100 0.005 0.000 0.798 112 P CB 0.449 32.149 31.700 -0.001 0.000 0.979 113 G N -0.444 108.360 108.800 0.006 0.000 2.539 113 G HA2 0.556 4.516 3.960 0.000 0.000 0.258 113 G HA3 0.556 4.516 3.960 0.000 0.000 0.258 113 G C -0.100 174.799 174.900 -0.003 0.000 1.202 113 G CA -0.061 45.043 45.100 0.007 0.000 0.851 113 G HN 0.908 nan 8.290 nan 0.000 0.556 114 G N -1.030 107.767 108.800 -0.004 0.000 2.402 114 G HA2 0.321 4.281 3.960 0.000 0.000 0.666 114 G HA3 0.321 4.281 3.960 0.000 0.000 0.666 114 G C -0.894 173.999 174.900 -0.011 0.000 1.402 114 G CA -0.674 44.416 45.100 -0.016 0.000 0.920 114 G HN 1.127 nan 8.290 nan 0.000 0.651 115 L N 1.062 122.275 121.223 -0.017 0.000 2.513 115 L HA 0.477 4.817 4.340 0.000 0.000 0.272 115 L C 1.759 178.634 176.870 0.007 0.000 1.187 115 L CA 0.500 55.338 54.840 -0.004 0.000 0.895 115 L CB 0.476 42.529 42.059 -0.010 0.000 1.147 115 L HN 0.699 nan 8.230 nan 0.000 0.483 116 R N 2.374 122.891 120.500 0.028 0.000 2.123 116 R HA 0.234 4.574 4.340 0.000 0.000 0.209 116 R C -0.273 176.077 176.300 0.083 0.000 1.078 116 R CA 0.384 56.508 56.100 0.040 0.000 1.028 116 R CB 0.301 30.632 30.300 0.052 0.000 0.939 116 R HN 0.653 nan 8.270 nan 0.000 0.463 117 E N -0.090 120.183 120.200 0.122 0.000 2.343 117 E HA 0.216 4.566 4.350 0.000 0.000 0.270 117 E C 0.080 176.782 176.600 0.169 0.000 0.895 117 E CA -0.428 56.095 56.400 0.206 0.000 0.767 117 E CB 2.527 32.368 29.700 0.235 0.000 1.248 117 E HN -0.087 nan 8.360 nan 0.000 0.440 118 L N 0.717 122.090 121.223 0.250 0.000 2.068 118 L HA -0.047 4.293 4.340 0.000 0.000 0.204 118 L C 0.607 177.544 176.870 0.112 0.000 1.076 118 L CA 0.849 55.825 54.840 0.227 0.000 0.753 118 L CB -0.039 42.275 42.059 0.424 0.000 0.910 118 L HN 0.688 nan 8.230 nan 0.000 0.439 119 Q N 0.206 120.104 119.800 0.164 0.000 2.468 119 Q HA -0.207 4.133 4.340 0.000 0.000 0.289 119 Q C -0.287 175.524 176.000 -0.317 0.000 1.299 119 Q CA 0.125 55.914 55.803 -0.024 0.000 0.838 119 Q CB -1.489 27.234 28.738 -0.025 0.000 1.195 119 Q HN 0.433 nan 8.270 nan 0.000 0.456 120 L N 0.814 121.593 121.223 -0.739 0.000 2.719 120 L HA 0.153 4.493 4.340 0.000 0.000 0.236 120 L C 1.826 177.784 176.870 -1.519 0.000 1.285 120 L CA -0.062 54.135 54.840 -1.070 0.000 1.222 120 L CB -0.201 41.168 42.059 -1.150 0.000 1.493 120 L HN 0.278 nan 8.230 nan 0.000 0.415 121 R N -1.942 118.031 120.500 -0.879 0.000 2.237 121 R HA -0.050 4.290 4.340 0.000 0.000 0.219 121 R C 1.133 177.227 176.300 -0.344 0.000 1.080 121 R CA 1.230 56.989 56.100 -0.568 0.000 0.995 121 R CB -0.143 30.033 30.300 -0.205 0.000 0.875 121 R HN 0.248 nan 8.270 nan 0.000 0.462 122 S N 0.438 115.927 115.700 -0.351 0.000 2.523 122 S HA 0.141 4.611 4.470 0.000 0.000 0.217 122 S C 0.086 174.577 174.600 -0.182 0.000 0.996 122 S CA -0.621 57.459 58.200 -0.200 0.000 0.921 122 S CB 0.278 63.384 63.200 -0.157 0.000 0.829 122 S HN 0.198 nan 8.310 nan 0.000 0.495 123 L N 4.199 125.248 121.223 -0.289 0.000 2.565 123 L HA 0.187 4.527 4.340 0.000 0.000 0.275 123 L C 0.812 177.655 176.870 -0.045 0.000 1.137 123 L CA 0.902 55.633 54.840 -0.181 0.000 0.915 123 L CB -0.085 41.815 42.059 -0.266 0.000 1.232 123 L HN 0.173 nan 8.230 nan 0.000 0.473 124 T N 0.376 114.922 114.554 -0.014 0.000 3.111 124 T HA 0.357 4.707 4.350 0.000 0.000 0.284 124 T C 0.206 174.932 174.700 0.044 0.000 0.983 124 T CA -0.292 61.821 62.100 0.021 0.000 0.900 124 T CB -0.006 68.869 68.868 0.013 0.000 1.132 124 T HN 0.467 nan 8.240 nan 0.000 0.531 125 E N 0.874 121.106 120.200 0.053 0.000 2.294 125 E HA 0.546 4.896 4.350 0.000 0.000 0.272 125 E C -1.714 174.954 176.600 0.113 0.000 0.896 125 E CA -0.503 55.952 56.400 0.091 0.000 0.802 125 E CB 1.153 30.894 29.700 0.068 0.000 1.267 125 E HN 0.381 nan 8.360 nan 0.000 0.406 126 I N 6.675 127.360 120.570 0.192 0.000 2.359 126 I HA 0.207 4.377 4.170 0.000 0.000 0.284 126 I C 0.843 177.110 176.117 0.251 0.000 1.018 126 I CA -0.388 61.056 61.300 0.241 0.000 1.173 126 I CB 1.100 39.323 38.000 0.371 0.000 1.326 126 I HN 0.638 nan 8.210 nan 0.000 0.462 127 L N 5.384 126.673 121.223 0.110 0.000 2.217 127 L HA 0.062 4.402 4.340 0.000 0.000 0.211 127 L C 0.590 177.474 176.870 0.023 0.000 1.107 127 L CA 1.307 56.144 54.840 -0.005 0.000 0.783 127 L CB -0.182 41.784 42.059 -0.156 0.000 0.919 127 L HN 0.523 nan 8.230 nan 0.000 0.442 128 K N -1.280 119.157 120.400 0.061 0.000 2.527 128 K HA 0.537 4.857 4.320 0.000 0.000 0.260 128 K C -0.437 176.190 176.600 0.046 0.000 0.937 128 K CA -0.171 56.134 56.287 0.030 0.000 0.826 128 K CB 2.343 34.844 32.500 0.001 0.000 1.359 128 K HN 0.017 nan 8.250 nan 0.000 0.434 129 G N 0.541 109.326 108.800 -0.025 0.000 2.814 129 G HA2 -0.023 3.937 3.960 0.000 0.000 0.677 129 G HA3 -0.023 3.937 3.960 0.000 0.000 0.677 129 G C -0.056 174.818 174.900 -0.044 0.000 1.429 129 G CA -0.536 44.536 45.100 -0.047 0.000 0.868 129 G HN 0.833 nan 8.290 nan 0.000 0.553 130 G N -1.787 107.003 108.800 -0.018 0.000 2.671 130 G HA2 0.810 4.770 3.960 0.000 0.000 0.275 130 G HA3 0.810 4.770 3.960 0.000 0.000 0.275 130 G C -0.568 174.547 174.900 0.358 0.000 1.368 130 G CA 0.039 45.184 45.100 0.075 0.000 1.044 130 G HN 1.509 nan 8.290 nan 0.000 0.543 131 V N 0.072 120.170 119.914 0.306 0.000 2.495 131 V HA 0.527 4.647 4.120 0.000 0.000 0.298 131 V C -0.849 175.148 176.094 -0.161 0.000 1.031 131 V CA -0.577 61.728 62.300 0.009 0.000 0.871 131 V CB 1.492 33.056 31.823 -0.431 0.000 0.988 131 V HN 0.575 nan 8.190 nan 0.000 0.432 132 L N 6.789 127.795 121.223 -0.362 0.000 2.342 132 L HA 0.671 5.011 4.340 0.000 0.000 0.276 132 L C -0.939 175.717 176.870 -0.357 0.000 0.997 132 L CA 0.244 54.742 54.840 -0.569 0.000 0.838 132 L CB 1.047 42.357 42.059 -1.249 0.000 1.224 132 L HN 0.577 nan 8.230 nan 0.000 0.416 133 I N 5.045 125.451 120.570 -0.273 0.000 2.411 133 I HA 0.470 4.640 4.170 0.000 0.000 0.284 133 I C -0.604 175.425 176.117 -0.146 0.000 1.012 133 I CA -0.251 60.940 61.300 -0.182 0.000 1.119 133 I CB 1.421 39.342 38.000 -0.132 0.000 1.261 133 I HN 0.596 nan 8.210 nan 0.000 0.448 134 Q N 5.211 124.929 119.800 -0.137 0.000 2.377 134 Q HA 0.526 4.866 4.340 0.000 0.000 0.279 134 Q C -0.745 175.191 176.000 -0.107 0.000 1.049 134 Q CA -1.075 54.661 55.803 -0.112 0.000 0.825 134 Q CB 2.839 31.510 28.738 -0.111 0.000 1.401 134 Q HN 0.462 nan 8.270 nan 0.000 0.404 135 R N 1.454 121.902 120.500 -0.087 0.000 3.267 135 R HA -0.138 4.202 4.340 0.000 0.000 0.254 135 R C -0.984 175.258 176.300 -0.097 0.000 0.993 135 R CA 0.292 56.340 56.100 -0.087 0.000 0.670 135 R CB -1.427 28.817 30.300 -0.094 0.000 1.125 135 R HN 0.528 nan 8.270 nan 0.000 0.434 136 N N 0.330 118.982 118.700 -0.080 0.000 2.851 136 N HA 0.152 4.892 4.740 0.000 0.000 0.248 136 N C -2.171 173.304 175.510 -0.058 0.000 1.221 136 N CA -1.480 51.526 53.050 -0.073 0.000 0.847 136 N CB 1.685 40.134 38.487 -0.064 0.000 1.150 136 N HN -0.022 nan 8.380 nan 0.000 0.507 137 P HA -0.091 nan 4.420 nan 0.000 0.223 137 P C 0.974 178.244 177.300 -0.050 0.000 1.144 137 P CA 1.279 64.350 63.100 -0.049 0.000 0.783 137 P CB 0.506 32.181 31.700 -0.042 0.000 0.771 138 Q N -1.785 117.987 119.800 -0.046 0.000 2.281 138 Q HA 0.152 4.492 4.340 0.000 0.000 0.215 138 Q C 0.435 176.405 176.000 -0.050 0.000 0.867 138 Q CA -0.237 55.540 55.803 -0.043 0.000 0.940 138 Q CB -0.040 28.683 28.738 -0.026 0.000 1.111 138 Q HN 0.255 nan 8.270 nan 0.000 0.513 139 L N 1.144 122.338 121.223 -0.048 0.000 2.410 139 L HA 0.110 4.450 4.340 0.000 0.000 0.273 139 L C -0.614 176.201 176.870 -0.092 0.000 1.144 139 L CA 0.159 54.976 54.840 -0.038 0.000 0.863 139 L CB 0.540 42.591 42.059 -0.013 0.000 1.140 139 L HN 0.049 nan 8.230 nan 0.000 0.463 140 c N 3.679 122.196 118.600 -0.140 0.000 2.562 140 c HA 0.496 5.066 4.570 0.000 0.000 0.332 140 c C 0.274 174.215 174.090 -0.249 0.000 1.201 140 c CA -0.382 55.714 56.329 -0.390 0.000 1.803 140 c CB 0.871 42.889 42.510 -0.821 0.000 2.328 140 c HN 0.970 nan 8.230 nan 0.000 0.500 141 Y N -0.880 119.416 120.300 -0.007 0.000 4.894 141 Y HA -0.337 4.213 4.550 0.000 0.000 0.270 141 Y C 2.223 178.080 175.900 -0.071 0.000 0.930 141 Y CA 1.042 59.113 58.100 -0.048 0.000 1.814 141 Y CB -1.401 37.029 38.460 -0.051 0.000 1.235 141 Y HN 0.801 nan 8.280 nan 0.000 0.480 142 Q N 2.170 122.042 119.800 0.120 0.000 2.170 142 Q HA -0.181 4.159 4.340 0.000 0.000 0.203 142 Q C 1.268 177.389 176.000 0.201 0.000 0.976 142 Q CA 2.200 58.113 55.803 0.183 0.000 0.858 142 Q CB -0.540 28.326 28.738 0.213 0.000 0.907 142 Q HN 0.754 nan 8.270 nan 0.000 0.433 143 D N 0.165 120.629 120.400 0.107 0.000 2.312 143 D HA -0.071 4.569 4.640 0.000 0.000 0.211 143 D C 1.255 177.576 176.300 0.035 0.000 0.964 143 D CA 1.053 55.110 54.000 0.095 0.000 0.877 143 D CB -0.371 40.453 40.800 0.040 0.000 0.924 143 D HN 0.165 nan 8.370 nan 0.000 0.515 144 T N 0.810 115.349 114.554 -0.025 0.000 2.812 144 T HA 0.012 4.362 4.350 0.000 0.000 0.264 144 T C 1.064 175.610 174.700 -0.258 0.000 1.042 144 T CA -0.028 62.011 62.100 -0.102 0.000 1.140 144 T CB -0.004 68.826 68.868 -0.063 0.000 0.870 144 T HN 0.094 nan 8.240 nan 0.000 0.445 145 I N 2.677 122.964 120.570 -0.471 0.000 2.826 145 I HA -0.004 4.166 4.170 0.000 0.000 0.295 145 I C 0.306 176.020 176.117 -0.671 0.000 1.213 145 I CA -0.479 60.303 61.300 -0.864 0.000 1.436 145 I CB -0.175 36.836 38.000 -1.648 0.000 1.348 145 I HN 0.164 nan 8.210 nan 0.000 0.570 146 L N 8.125 129.030 121.223 -0.530 0.000 2.401 146 L HA 0.135 4.475 4.340 0.000 0.000 0.283 146 L C 0.269 176.928 176.870 -0.352 0.000 1.151 146 L CA 0.187 54.848 54.840 -0.298 0.000 0.942 146 L CB -0.139 41.810 42.059 -0.183 0.000 1.283 146 L HN 0.508 nan 8.230 nan 0.000 0.442 147 W N 2.413 123.611 121.300 -0.170 0.000 2.374 147 W HA -0.177 4.483 4.660 0.000 0.000 0.288 147 W C 2.318 178.627 176.519 -0.350 0.000 1.218 147 W CA 1.256 58.409 57.345 -0.320 0.000 1.245 147 W CB -0.095 29.186 29.460 -0.298 0.000 1.126 147 W HN 0.569 nan 8.180 nan 0.000 0.545 148 K N 0.772 121.256 120.400 0.140 0.000 2.089 148 K HA -0.296 4.024 4.320 0.000 0.000 0.210 148 K C 1.852 178.518 176.600 0.111 0.000 1.048 148 K CA 2.207 58.622 56.287 0.214 0.000 0.926 148 K CB -0.551 32.045 32.500 0.161 0.000 0.714 148 K HN 0.073 nan 8.250 nan 0.000 0.448 149 D N 0.286 120.687 120.400 0.000 0.000 2.097 149 D HA -0.150 4.490 4.640 0.000 0.000 0.195 149 D C 1.975 178.278 176.300 0.005 0.000 0.989 149 D CA 1.524 55.519 54.000 -0.008 0.000 0.827 149 D CB 0.021 40.789 40.800 -0.053 0.000 0.966 149 D HN 0.344 nan 8.370 nan 0.000 0.456 150 I N 0.219 120.751 120.570 -0.064 0.000 2.226 150 I HA -0.191 3.979 4.170 0.000 0.000 0.245 150 I C 1.042 177.209 176.117 0.083 0.000 1.100 150 I CA 0.294 61.578 61.300 -0.027 0.000 1.374 150 I CB -0.326 37.636 38.000 -0.064 0.000 1.057 150 I HN -0.111 nan 8.210 nan 0.000 0.413 151 F N 0.085 120.149 119.950 0.189 0.000 2.545 151 F HA -0.106 4.421 4.527 0.000 0.000 0.348 151 F C 1.795 177.684 175.800 0.148 0.000 1.163 151 F CA 0.060 58.164 58.000 0.174 0.000 1.331 151 F CB 0.352 39.447 39.000 0.157 0.000 1.138 151 F HN -0.007 nan 8.300 nan 0.000 0.602 152 H N 1.220 120.461 119.070 0.286 0.000 2.415 152 H HA 0.171 4.727 4.556 0.000 0.000 0.297 152 H C 0.046 175.443 175.328 0.115 0.000 1.048 152 H CA 1.242 57.378 56.048 0.147 0.000 1.365 152 H CB 0.388 30.207 29.762 0.095 0.000 1.421 152 H HN 0.241 nan 8.280 nan 0.000 0.533 153 K N 0.095 120.579 120.400 0.140 0.000 2.328 153 K HA 0.173 4.493 4.320 0.000 0.000 0.246 153 K C 0.043 176.677 176.600 0.057 0.000 0.955 153 K CA -0.712 55.601 56.287 0.042 0.000 0.817 153 K CB 1.795 34.329 32.500 0.056 0.000 1.208 153 K HN 0.114 nan 8.250 nan 0.000 0.432 154 N N 1.257 119.979 118.700 0.037 0.000 2.331 154 N HA -0.138 4.602 4.740 0.000 0.000 0.180 154 N C 1.000 176.507 175.510 -0.006 0.000 1.019 154 N CA 1.058 54.140 53.050 0.053 0.000 0.881 154 N CB -0.153 38.361 38.487 0.045 0.000 0.972 154 N HN 0.554 nan 8.380 nan 0.000 0.435 155 N N 0.536 119.212 118.700 -0.041 0.000 2.453 155 N HA -0.119 4.621 4.740 0.000 0.000 0.183 155 N C 1.206 176.619 175.510 -0.161 0.000 1.041 155 N CA 0.636 53.644 53.050 -0.071 0.000 0.900 155 N CB -0.481 37.975 38.487 -0.052 0.000 0.961 155 N HN 0.321 nan 8.380 nan 0.000 0.443 156 Q N 0.005 119.635 119.800 -0.282 0.000 2.364 156 Q HA 0.042 4.382 4.340 0.000 0.000 0.209 156 Q C 1.633 177.194 176.000 -0.732 0.000 0.977 156 Q CA 0.622 56.045 55.803 -0.632 0.000 0.885 156 Q CB -0.155 27.954 28.738 -1.048 0.000 0.941 156 Q HN 0.474 nan 8.270 nan 0.000 0.464 157 L N -0.240 120.793 121.223 -0.318 0.000 2.141 157 L HA -0.144 4.196 4.340 0.000 0.000 0.209 157 L C 2.257 179.116 176.870 -0.019 0.000 1.094 157 L CA 0.776 55.614 54.840 -0.003 0.000 0.763 157 L CB -0.343 41.796 42.059 0.133 0.000 0.908 157 L HN 0.202 nan 8.230 nan 0.000 0.437 158 A N -0.702 122.080 122.820 -0.065 0.000 2.172 158 A HA -0.023 4.297 4.320 0.000 0.000 0.216 158 A C 1.686 179.242 177.584 -0.046 0.000 1.154 158 A CA 0.828 52.841 52.037 -0.041 0.000 0.701 158 A CB -0.323 18.649 19.000 -0.046 0.000 0.789 158 A HN 0.405 nan 8.150 nan 0.000 0.465 159 L N 0.652 121.825 121.223 -0.084 0.000 3.034 159 L HA 0.190 4.530 4.340 0.000 0.000 0.245 159 L C -0.581 176.333 176.870 0.074 0.000 1.295 159 L CA -0.157 54.652 54.840 -0.052 0.000 1.068 159 L CB 0.328 42.295 42.059 -0.153 0.000 1.426 159 L HN 0.077 nan 8.230 nan 0.000 0.531 160 T N 0.725 115.321 114.554 0.070 0.000 2.812 160 T HA 0.584 4.934 4.350 0.000 0.000 0.282 160 T C -0.679 174.037 174.700 0.027 0.000 0.990 160 T CA -0.355 61.793 62.100 0.080 0.000 0.960 160 T CB 2.421 71.352 68.868 0.105 0.000 0.948 160 T HN -0.154 nan 8.240 nan 0.000 0.438 161 L N 3.866 125.071 121.223 -0.030 0.000 2.372 161 L HA 0.597 4.937 4.340 0.000 0.000 0.274 161 L C -0.836 175.953 176.870 -0.135 0.000 0.988 161 L CA -0.258 54.542 54.840 -0.066 0.000 0.833 161 L CB 1.461 43.490 42.059 -0.050 0.000 1.236 161 L HN 0.671 nan 8.230 nan 0.000 0.410 162 I N 2.839 123.345 120.570 -0.105 0.000 2.464 162 I HA 0.223 4.393 4.170 0.000 0.000 0.277 162 I C -0.431 175.650 176.117 -0.059 0.000 1.040 162 I CA -0.626 60.609 61.300 -0.109 0.000 1.153 162 I CB 1.466 39.396 38.000 -0.115 0.000 1.274 162 I HN 0.476 nan 8.210 nan 0.000 0.469 163 D N 3.733 124.093 120.400 -0.067 0.000 2.424 163 D HA 0.078 4.718 4.640 0.000 0.000 0.244 163 D C 1.019 177.296 176.300 -0.040 0.000 1.134 163 D CA 0.291 54.261 54.000 -0.051 0.000 0.881 163 D CB 1.176 41.940 40.800 -0.060 0.000 1.191 163 D HN 0.609 nan 8.370 nan 0.000 0.445 164 T N -0.480 114.054 114.554 -0.034 0.000 3.058 164 T HA 0.157 4.508 4.350 0.000 0.000 0.278 164 T C 0.425 175.100 174.700 -0.042 0.000 0.974 164 T CA -0.681 61.398 62.100 -0.034 0.000 0.893 164 T CB -0.251 68.602 68.868 -0.026 0.000 1.138 164 T HN 0.238 nan 8.240 nan 0.000 0.529 165 N N 3.101 121.777 118.700 -0.040 0.000 2.293 165 N HA 0.110 4.850 4.740 0.000 0.000 0.253 165 N C -0.131 175.350 175.510 -0.048 0.000 1.248 165 N CA 0.664 53.689 53.050 -0.041 0.000 0.845 165 N CB 0.390 38.855 38.487 -0.038 0.000 1.073 165 N HN 0.548 nan 8.380 nan 0.000 0.464 166 R N 0.423 120.892 120.500 -0.051 0.000 2.594 166 R HA 0.193 4.533 4.340 0.000 0.000 0.265 166 R C -0.298 175.968 176.300 -0.056 0.000 1.070 166 R CA -0.428 55.636 56.100 -0.060 0.000 0.909 166 R CB 0.855 31.109 30.300 -0.077 0.000 1.243 166 R HN 0.419 nan 8.270 nan 0.000 0.455 167 S N 1.840 117.507 115.700 -0.055 0.000 2.556 167 S HA 0.102 4.572 4.470 0.000 0.000 0.216 167 S C -0.015 174.553 174.600 -0.055 0.000 0.970 167 S CA -0.076 58.095 58.200 -0.047 0.000 0.912 167 S CB -0.002 63.175 63.200 -0.038 0.000 0.790 167 S HN 0.552 nan 8.310 nan 0.000 0.504 168 R N 0.119 120.575 120.500 -0.073 0.000 2.771 168 R HA 0.813 5.153 4.340 0.000 0.000 0.274 168 R C -0.921 175.306 176.300 -0.122 0.000 0.987 168 R CA -0.894 55.152 56.100 -0.089 0.000 0.908 168 R CB 1.088 31.336 30.300 -0.087 0.000 1.213 168 R HN -0.020 nan 8.270 nan 0.000 0.468 169 A N 1.624 124.363 122.820 -0.136 0.000 2.425 169 A HA 0.430 4.750 4.320 0.000 0.000 0.249 169 A C -0.247 177.181 177.584 -0.260 0.000 1.084 169 A CA -0.554 51.382 52.037 -0.168 0.000 0.781 169 A CB 0.200 19.112 19.000 -0.147 0.000 1.019 169 A HN 0.780 nan 8.150 nan 0.000 0.490 170 c N 2.336 120.778 118.600 -0.262 0.000 2.366 170 c HA 0.538 5.108 4.570 0.000 0.000 0.345 170 c C 0.529 174.471 174.090 -0.247 0.000 1.209 170 c CA -0.802 55.328 56.329 -0.332 0.000 2.050 170 c CB 0.064 42.318 42.510 -0.427 0.000 2.359 170 c HN 0.865 nan 8.230 nan 0.000 0.527 171 H N 1.181 120.270 119.070 0.032 0.000 2.607 171 H HA 0.241 4.797 4.556 0.000 0.000 0.367 171 H C -2.061 173.383 175.328 0.194 0.000 1.181 171 H CA -0.826 55.287 56.048 0.108 0.000 1.402 171 H CB -0.063 29.777 29.762 0.130 0.000 1.474 171 H HN 0.436 nan 8.280 nan 0.000 0.596 172 P HA 0.041 nan 4.420 nan 0.000 0.272 172 P C -0.089 177.304 177.300 0.154 0.000 1.240 172 P CA -0.436 62.774 63.100 0.182 0.000 0.791 172 P CB 0.528 32.285 31.700 0.095 0.000 0.978 173 c N 0.473 119.106 118.600 0.056 0.000 2.703 173 c HA 0.127 4.697 4.570 0.000 0.000 0.411 173 c C 1.478 175.534 174.090 -0.057 0.000 1.290 173 c CA 0.052 56.325 56.329 -0.093 0.000 2.054 173 c CB -0.588 41.846 42.510 -0.126 0.000 2.732 173 c HN 0.639 nan 8.230 nan 0.000 0.650 174 S N 2.855 118.503 115.700 -0.087 0.000 2.573 174 S HA -0.012 4.458 4.470 0.000 0.000 0.297 174 S C -1.203 173.372 174.600 -0.042 0.000 1.280 174 S CA -0.479 57.686 58.200 -0.058 0.000 1.061 174 S CB 0.329 63.489 63.200 -0.066 0.000 0.812 174 S HN 0.614 nan 8.310 nan 0.000 0.500 175 P HA -0.123 nan 4.420 nan 0.000 0.218 175 P C 1.053 178.336 177.300 -0.027 0.000 1.146 175 P CA 1.253 64.340 63.100 -0.022 0.000 0.820 175 P CB 0.046 31.736 31.700 -0.017 0.000 0.778 176 M N -2.344 117.237 119.600 -0.032 0.000 2.682 176 M HA 0.007 4.487 4.480 0.000 0.000 0.235 176 M C 0.328 176.605 176.300 -0.039 0.000 1.114 176 M CA -0.154 55.127 55.300 -0.032 0.000 1.053 176 M CB -1.494 31.087 32.600 -0.031 0.000 1.599 176 M HN -0.084 nan 8.290 nan 0.000 0.520 177 c N 1.776 120.348 118.600 -0.046 0.000 2.499 177 c HA 0.157 4.727 4.570 0.000 0.000 0.386 177 c C 1.800 175.860 174.090 -0.050 0.000 1.293 177 c CA -0.619 55.676 56.329 -0.056 0.000 1.884 177 c CB 0.472 42.936 42.510 -0.077 0.000 2.509 177 c HN 0.548 nan 8.230 nan 0.000 0.566 178 K N 2.613 122.983 120.400 -0.050 0.000 1.974 178 K HA -0.169 4.151 4.320 0.000 0.000 0.233 178 K C 1.231 177.803 176.600 -0.045 0.000 1.017 178 K CA 2.173 58.433 56.287 -0.045 0.000 1.030 178 K CB -0.464 32.006 32.500 -0.049 0.000 0.728 178 K HN 0.891 nan 8.250 nan 0.000 0.455 179 G N -2.079 106.688 108.800 -0.056 0.000 4.855 179 G HA2 0.374 4.334 3.960 0.000 0.000 0.275 179 G HA3 0.374 4.334 3.960 0.000 0.000 0.275 179 G C -0.761 174.101 174.900 -0.062 0.000 1.282 179 G CA -0.055 45.014 45.100 -0.052 0.000 0.930 179 G HN 0.185 nan 8.290 nan 0.000 0.575 180 S N -0.557 115.105 115.700 -0.062 0.000 3.561 180 S HA -0.179 4.291 4.470 0.000 0.000 0.318 180 S C 0.763 175.305 174.600 -0.096 0.000 1.181 180 S CA 0.939 59.102 58.200 -0.062 0.000 0.916 180 S CB -0.909 62.269 63.200 -0.037 0.000 0.966 180 S HN 0.797 nan 8.310 nan 0.000 0.550 181 R N 0.569 120.986 120.500 -0.138 0.000 2.337 181 R HA 0.617 4.957 4.340 0.000 0.000 0.319 181 R C 0.029 176.164 176.300 -0.276 0.000 0.954 181 R CA -0.164 55.804 56.100 -0.220 0.000 0.840 181 R CB 1.093 31.246 30.300 -0.245 0.000 1.164 181 R HN 0.487 nan 8.270 nan 0.000 0.472 182 c N -0.634 117.756 118.600 -0.350 0.000 3.291 182 c HA 0.586 5.156 4.570 0.000 0.000 0.316 182 c C -0.214 173.599 174.090 -0.462 0.000 1.391 182 c CA -1.077 55.031 56.329 -0.367 0.000 1.394 182 c CB 0.798 43.112 42.510 -0.327 0.000 1.744 182 c HN 1.077 nan 8.230 nan 0.000 0.461 183 W N 1.330 122.495 121.300 -0.225 0.000 3.239 183 W HA 0.551 5.211 4.660 0.000 0.000 0.368 183 W C 1.104 177.527 176.519 -0.159 0.000 1.154 183 W CA 0.689 57.947 57.345 -0.144 0.000 1.860 183 W CB 0.582 29.970 29.460 -0.120 0.000 1.094 183 W HN 1.383 nan 8.180 nan 0.000 0.643 184 G N -0.368 108.267 108.800 -0.275 0.000 2.336 184 G HA2 -0.095 3.865 3.960 0.000 0.000 0.300 184 G HA3 -0.095 3.865 3.960 0.000 0.000 0.300 184 G C -0.312 174.294 174.900 -0.489 0.000 1.375 184 G CA -0.686 44.214 45.100 -0.332 0.000 0.885 184 G HN -0.027 nan 8.290 nan 0.000 0.599 185 E N -0.474 119.584 120.200 -0.237 0.000 2.338 185 E HA 0.015 4.365 4.350 0.000 0.000 0.197 185 E C 1.489 178.016 176.600 -0.121 0.000 1.007 185 E CA 0.827 57.138 56.400 -0.148 0.000 0.849 185 E CB 0.036 29.739 29.700 0.006 0.000 0.774 185 E HN 0.439 nan 8.360 nan 0.000 0.506 186 S N -0.568 115.071 115.700 -0.101 0.000 2.589 186 S HA -0.002 4.468 4.470 0.000 0.000 0.265 186 S C 1.349 175.904 174.600 -0.075 0.000 1.342 186 S CA 0.291 58.448 58.200 -0.071 0.000 1.005 186 S CB 1.338 64.507 63.200 -0.051 0.000 0.909 186 S HN 0.293 nan 8.310 nan 0.000 0.555 187 S N 1.388 117.055 115.700 -0.056 0.000 2.414 187 S HA -0.062 4.408 4.470 0.000 0.000 0.227 187 S C 1.275 175.850 174.600 -0.042 0.000 1.022 187 S CA 0.865 59.036 58.200 -0.050 0.000 0.958 187 S CB -0.593 62.583 63.200 -0.040 0.000 0.797 187 S HN 0.888 nan 8.310 nan 0.000 0.493 188 E N 0.480 120.657 120.200 -0.037 0.000 2.445 188 E HA 0.084 4.434 4.350 0.000 0.000 0.189 188 E C 0.053 176.642 176.600 -0.019 0.000 1.069 188 E CA 0.210 56.592 56.400 -0.030 0.000 0.871 188 E CB -0.183 29.498 29.700 -0.033 0.000 0.991 188 E HN 0.352 nan 8.360 nan 0.000 0.481 189 D N 0.745 121.133 120.400 -0.021 0.000 2.349 189 D HA 0.075 4.715 4.640 0.000 0.000 0.214 189 D C -0.003 176.329 176.300 0.054 0.000 1.063 189 D CA -0.150 53.862 54.000 0.020 0.000 0.847 189 D CB 0.004 40.787 40.800 -0.029 0.000 0.933 189 D HN 0.193 nan 8.370 nan 0.000 0.513 190 c N 1.517 120.114 118.600 -0.004 0.000 2.679 190 c HA 0.060 4.630 4.570 0.000 0.000 0.417 190 c C 1.024 175.133 174.090 0.031 0.000 1.302 190 c CA -0.643 55.665 56.329 -0.035 0.000 1.973 190 c CB -0.324 42.157 42.510 -0.048 0.000 2.715 190 c HN 0.300 nan 8.230 nan 0.000 0.628 191 Q N 2.043 121.800 119.800 -0.071 0.000 2.297 191 Q HA 0.191 4.531 4.340 0.000 0.000 0.267 191 Q C 0.045 176.035 176.000 -0.016 0.000 1.006 191 Q CA 0.254 56.032 55.803 -0.042 0.000 0.896 191 Q CB 0.612 29.180 28.738 -0.285 0.000 1.186 191 Q HN 0.833 nan 8.270 nan 0.000 0.392 192 S N 5.375 121.099 115.700 0.040 0.000 2.430 192 S HA 0.345 4.815 4.470 0.000 0.000 0.289 192 S C -0.400 174.196 174.600 -0.007 0.000 1.143 192 S CA -0.723 57.481 58.200 0.007 0.000 1.067 192 S CB 0.159 63.367 63.200 0.013 0.000 0.964 192 S HN 0.649 nan 8.310 nan 0.000 0.485 193 L N 5.225 126.432 121.223 -0.026 0.000 2.276 193 L HA 0.385 4.725 4.340 0.000 0.000 0.286 193 L C 1.242 178.104 176.870 -0.014 0.000 1.061 193 L CA -0.420 54.402 54.840 -0.030 0.000 0.807 193 L CB 1.347 43.380 42.059 -0.043 0.000 1.177 193 L HN 0.875 nan 8.230 nan 0.000 0.429 194 T N -1.603 112.948 114.554 -0.006 0.000 3.091 194 T HA 0.175 4.525 4.350 0.000 0.000 0.277 194 T C 1.025 175.730 174.700 0.008 0.000 0.996 194 T CA -0.382 61.721 62.100 0.004 0.000 0.897 194 T CB 0.399 69.275 68.868 0.012 0.000 1.109 194 T HN 0.607 nan 8.240 nan 0.000 0.534 195 R N 1.161 121.663 120.500 0.003 0.000 2.493 195 R HA 0.131 4.471 4.340 0.000 0.000 0.177 195 R C 2.141 178.441 176.300 0.000 0.000 0.861 195 R CA 1.053 57.156 56.100 0.005 0.000 1.083 195 R CB -0.244 30.064 30.300 0.014 0.000 1.328 195 R HN 0.290 nan 8.270 nan 0.000 0.615 196 T N -1.680 112.873 114.554 -0.002 0.000 3.160 196 T HA 0.054 4.404 4.350 0.000 0.000 0.257 196 T C 1.132 175.828 174.700 -0.007 0.000 1.147 196 T CA 0.511 62.610 62.100 -0.002 0.000 1.064 196 T CB 0.688 69.554 68.868 -0.004 0.000 0.949 196 T HN 0.053 nan 8.240 nan 0.000 0.526 197 V N 0.686 120.595 119.914 -0.009 0.000 3.214 197 V HA 0.379 4.499 4.120 0.000 0.000 0.330 197 V C 0.235 176.324 176.094 -0.007 0.000 1.403 197 V CA -0.744 61.550 62.300 -0.010 0.000 1.143 197 V CB -0.941 30.873 31.823 -0.015 0.000 1.098 197 V HN 0.650 nan 8.190 nan 0.000 0.463 198 c N 0.968 119.565 118.600 -0.005 0.000 2.349 198 c HA 0.835 5.405 4.570 0.000 0.000 0.361 198 c C 1.014 175.101 174.090 -0.004 0.000 1.189 198 c CA -0.506 55.821 56.329 -0.004 0.000 2.155 198 c CB 1.191 43.699 42.510 -0.002 0.000 2.336 198 c HN 0.597 nan 8.230 nan 0.000 0.540 199 A N 1.380 124.198 122.820 -0.004 0.000 2.272 199 A HA 0.628 4.948 4.320 0.000 0.000 0.275 199 A C 1.175 178.756 177.584 -0.006 0.000 1.096 199 A CA 0.554 52.589 52.037 -0.005 0.000 0.822 199 A CB -0.767 18.230 19.000 -0.004 0.000 1.088 199 A HN 1.938 nan 8.150 nan 0.000 0.495 200 G N 0.214 109.011 108.800 -0.006 0.000 2.668 200 G HA2 -0.190 3.771 3.960 0.000 0.000 0.429 200 G HA3 -0.190 3.771 3.960 0.000 0.000 0.429 200 G C 1.329 176.224 174.900 -0.008 0.000 1.182 200 G CA 1.739 46.835 45.100 -0.007 0.000 0.911 200 G HN 1.796 nan 8.290 nan 0.000 0.631 201 G N -0.532 108.262 108.800 -0.009 0.000 2.752 201 G HA2 0.154 4.114 3.960 0.000 0.000 0.209 201 G HA3 0.154 4.114 3.960 0.000 0.000 0.209 201 G C 0.992 175.885 174.900 -0.011 0.000 1.392 201 G CA 1.772 46.865 45.100 -0.010 0.000 0.873 201 G HN 2.016 nan 8.290 nan 0.000 0.586 202 c N 0.134 118.727 118.600 -0.011 0.000 1.558 202 c HA 0.024 4.594 4.570 0.000 0.000 0.192 202 c C 1.960 176.046 174.090 -0.007 0.000 0.861 202 c CA -0.520 55.805 56.329 -0.007 0.000 3.360 202 c CB -2.065 40.442 42.510 -0.005 0.000 1.900 202 c HN 0.885 nan 8.230 nan 0.000 0.198 203 A N 4.023 126.842 122.820 -0.002 0.000 1.930 203 A HA 0.126 4.446 4.320 0.000 0.000 0.215 203 A C 1.077 178.665 177.584 0.007 0.000 1.176 203 A CA 1.237 53.268 52.037 -0.010 0.000 0.632 203 A CB 0.128 19.128 19.000 -0.001 0.000 0.819 203 A HN 0.829 nan 8.150 nan 0.000 0.445 204 R N -0.907 119.607 120.500 0.024 0.000 2.621 204 R HA 0.479 4.819 4.340 0.000 0.000 0.284 204 R C -1.195 175.120 176.300 0.025 0.000 0.998 204 R CA -0.134 55.984 56.100 0.029 0.000 0.895 204 R CB 1.035 31.362 30.300 0.046 0.000 1.195 204 R HN 0.562 nan 8.270 nan 0.000 0.450 205 c N -0.218 118.393 118.600 0.018 0.000 2.889 205 c HA 0.568 5.138 4.570 0.000 0.000 0.307 205 c C 0.997 175.095 174.090 0.013 0.000 1.251 205 c CA -1.000 55.338 56.329 0.015 0.000 1.593 205 c CB 2.103 44.618 42.510 0.008 0.000 2.104 205 c HN 0.967 nan 8.230 nan 0.000 0.476 206 K N 1.072 121.479 120.400 0.013 0.000 2.372 206 K HA 0.571 4.891 4.320 0.000 0.000 0.200 206 K C 0.495 177.098 176.600 0.004 0.000 1.022 206 K CA 0.642 56.934 56.287 0.009 0.000 1.125 206 K CB 0.188 32.696 32.500 0.012 0.000 0.855 206 K HN 1.480 nan 8.250 nan 0.000 0.524 207 G N 1.377 110.178 108.800 0.002 0.000 2.328 207 G HA2 0.140 4.100 3.960 0.000 0.000 0.295 207 G HA3 0.140 4.100 3.960 0.000 0.000 0.295 207 G C -3.040 171.859 174.900 -0.001 0.000 1.413 207 G CA -0.935 44.165 45.100 -0.001 0.000 0.817 207 G HN -0.146 nan 8.290 nan 0.000 0.546 208 P HA 0.255 nan 4.420 nan 0.000 0.257 208 P C 0.297 177.595 177.300 -0.003 0.000 1.281 208 P CA -0.032 63.066 63.100 -0.004 0.000 0.826 208 P CB 0.120 31.817 31.700 -0.006 0.000 1.237 209 L N 0.171 121.393 121.223 -0.002 0.000 2.360 209 L HA 0.367 4.707 4.340 0.000 0.000 0.271 209 L C -1.195 175.675 176.870 -0.001 0.000 1.057 209 L CA -2.545 52.294 54.840 -0.002 0.000 0.803 209 L CB 0.661 42.719 42.059 -0.001 0.000 1.207 209 L HN -0.341 nan 8.230 nan 0.000 0.445 210 P HA -0.161 nan 4.420 nan 0.000 0.217 210 P C 1.335 178.634 177.300 -0.002 0.000 1.148 210 P CA 1.270 64.368 63.100 -0.003 0.000 0.828 210 P CB 0.002 31.699 31.700 -0.005 0.000 0.783 211 T N -5.107 109.447 114.554 0.000 0.000 3.160 211 T HA -0.009 4.341 4.350 0.000 0.000 0.257 211 T C 0.773 175.477 174.700 0.007 0.000 1.147 211 T CA 0.557 62.659 62.100 0.003 0.000 1.064 211 T CB -0.657 68.213 68.868 0.004 0.000 0.949 211 T HN -0.020 nan 8.240 nan 0.000 0.526 212 D N 0.549 120.952 120.400 0.006 0.000 2.368 212 D HA 0.231 4.871 4.640 0.000 0.000 0.218 212 D C 0.072 176.379 176.300 0.013 0.000 1.112 212 D CA -0.340 53.666 54.000 0.010 0.000 0.834 212 D CB -0.263 40.540 40.800 0.006 0.000 0.953 212 D HN 0.446 nan 8.370 nan 0.000 0.505 213 c N 1.201 119.807 118.600 0.010 0.000 2.644 213 c HA 0.258 4.828 4.570 0.000 0.000 0.417 213 c C 1.254 175.360 174.090 0.027 0.000 1.304 213 c CA -0.904 55.432 56.329 0.012 0.000 2.035 213 c CB 0.169 42.678 42.510 -0.002 0.000 2.673 213 c HN 0.349 nan 8.230 nan 0.000 0.602 214 c N 3.257 121.880 118.600 0.039 0.000 2.520 214 c HA 0.206 4.776 4.570 0.000 0.000 0.376 214 c C 0.912 175.057 174.090 0.091 0.000 1.268 214 c CA -0.356 56.017 56.329 0.074 0.000 2.414 214 c CB -0.316 42.240 42.510 0.076 0.000 2.521 214 c HN 0.848 nan 8.230 nan 0.000 0.618 215 H N 1.346 120.448 119.070 0.052 0.000 3.038 215 H HA -0.038 4.518 4.556 0.000 0.000 0.338 215 H C 1.156 176.524 175.328 0.067 0.000 1.041 215 H CA 0.956 57.041 56.048 0.061 0.000 1.394 215 H CB 0.630 30.452 29.762 0.100 0.000 1.357 215 H HN 0.763 nan 8.280 nan 0.000 0.600 216 E N 2.513 122.625 120.200 -0.148 0.000 2.324 216 E HA -0.251 4.099 4.350 0.000 0.000 0.205 216 E C 1.113 177.853 176.600 0.234 0.000 1.031 216 E CA 1.193 57.608 56.400 0.025 0.000 0.836 216 E CB 0.177 29.828 29.700 -0.081 0.000 0.742 216 E HN 0.581 nan 8.360 nan 0.000 0.491 217 Q N -0.612 119.468 119.800 0.467 0.000 2.247 217 Q HA 0.132 4.472 4.340 0.000 0.000 0.211 217 Q C 0.117 176.240 176.000 0.205 0.000 0.861 217 Q CA 0.037 56.040 55.803 0.333 0.000 0.949 217 Q CB 0.608 29.535 28.738 0.316 0.000 1.115 217 Q HN 0.251 nan 8.270 nan 0.000 0.507 218 c N 1.034 119.749 118.600 0.191 0.000 2.580 218 c HA 0.740 5.310 4.570 0.000 0.000 0.371 218 c C 0.894 175.035 174.090 0.086 0.000 1.308 218 c CA -0.490 55.907 56.329 0.113 0.000 2.428 218 c CB 0.670 43.246 42.510 0.111 0.000 2.529 218 c HN 0.458 nan 8.230 nan 0.000 0.657 219 A N 0.702 123.551 122.820 0.049 0.000 2.479 219 A HA 0.769 5.089 4.320 0.000 0.000 0.296 219 A C 0.493 178.100 177.584 0.038 0.000 1.121 219 A CA 0.340 52.404 52.037 0.046 0.000 0.743 219 A CB 0.530 19.529 19.000 -0.002 0.000 1.323 219 A HN 2.449 nan 8.150 nan 0.000 0.415 220 A N -0.960 121.888 122.820 0.047 0.000 4.414 220 A HA 0.273 4.593 4.320 0.000 0.000 0.259 220 A C 2.057 179.657 177.584 0.027 0.000 0.774 220 A CA 2.647 54.703 52.037 0.031 0.000 1.184 220 A CB -2.016 16.988 19.000 0.008 0.000 1.070 220 A HN 3.319 nan 8.150 nan 0.000 0.747 221 G N -3.409 105.411 108.800 0.033 0.000 2.315 221 G HA2 0.533 4.493 3.960 0.000 0.000 0.296 221 G HA3 0.533 4.493 3.960 0.000 0.000 0.296 221 G C 0.155 175.074 174.900 0.031 0.000 1.289 221 G CA 0.769 45.887 45.100 0.029 0.000 0.996 221 G HN 2.850 nan 8.290 nan 0.000 0.487 222 c N -3.522 115.095 118.600 0.027 0.000 3.259 222 c HA 0.865 5.435 4.570 0.000 0.000 0.344 222 c C 1.268 175.372 174.090 0.023 0.000 1.401 222 c CA 0.819 57.167 56.329 0.031 0.000 1.219 222 c CB 1.048 43.589 42.510 0.051 0.000 1.521 222 c HN 2.320 nan 8.230 nan 0.000 0.455 223 T N -1.915 112.653 114.554 0.024 0.000 3.001 223 T HA 0.583 4.933 4.350 0.000 0.000 0.251 223 T C 0.631 175.345 174.700 0.024 0.000 1.040 223 T CA 0.958 63.069 62.100 0.018 0.000 0.985 223 T CB 0.031 68.906 68.868 0.012 0.000 1.011 223 T HN 2.309 nan 8.240 nan 0.000 0.509 224 G N 1.333 110.154 108.800 0.036 0.000 2.548 224 G HA2 0.544 4.504 3.960 0.000 0.000 0.301 224 G HA3 0.544 4.504 3.960 0.000 0.000 0.301 224 G C -2.648 172.289 174.900 0.062 0.000 1.349 224 G CA -0.771 44.354 45.100 0.042 0.000 0.792 224 G HN -0.185 nan 8.290 nan 0.000 0.481 225 P HA 0.128 nan 4.420 nan 0.000 0.235 225 P C 0.342 177.729 177.300 0.145 0.000 1.177 225 P CA 0.448 63.599 63.100 0.084 0.000 0.785 225 P CB 0.450 32.182 31.700 0.054 0.000 0.885 226 K N 0.688 121.172 120.400 0.140 0.000 2.168 226 K HA 0.062 4.382 4.320 0.000 0.000 0.258 226 K C 1.290 178.023 176.600 0.222 0.000 1.010 226 K CA -0.282 56.119 56.287 0.190 0.000 0.929 226 K CB 0.105 32.694 32.500 0.148 0.000 0.998 226 K HN 0.161 nan 8.250 nan 0.000 0.479 227 H N -0.116 118.896 119.070 -0.096 0.000 2.556 227 H HA 0.007 4.563 4.556 0.000 0.000 0.273 227 H C 0.623 175.861 175.328 -0.150 0.000 1.030 227 H CA 0.299 56.141 56.048 -0.343 0.000 1.156 227 H CB -0.401 28.781 29.762 -0.966 0.000 1.326 227 H HN 0.459 nan 8.280 nan 0.000 0.609 228 S N -1.340 114.348 115.700 -0.020 0.000 2.559 228 S HA 0.083 4.553 4.470 0.000 0.000 0.226 228 S C 0.510 175.102 174.600 -0.015 0.000 1.000 228 S CA -0.386 57.765 58.200 -0.082 0.000 0.948 228 S CB 0.334 63.492 63.200 -0.069 0.000 0.870 228 S HN 0.183 nan 8.310 nan 0.000 0.497 229 D N 1.253 121.668 120.400 0.026 0.000 2.363 229 D HA 0.262 4.902 4.640 0.000 0.000 0.214 229 D C -0.058 176.261 176.300 0.032 0.000 1.093 229 D CA -0.161 53.858 54.000 0.032 0.000 0.837 229 D CB 0.149 40.980 40.800 0.052 0.000 0.948 229 D HN 0.347 nan 8.370 nan 0.000 0.507 230 c N 1.072 119.688 118.600 0.027 0.000 2.657 230 c HA 0.087 4.657 4.570 0.000 0.000 0.420 230 c C 2.328 176.426 174.090 0.013 0.000 1.323 230 c CA -0.344 56.003 56.329 0.030 0.000 1.894 230 c CB 0.051 42.576 42.510 0.025 0.000 2.681 230 c HN 0.319 nan 8.230 nan 0.000 0.613 231 L N 2.163 123.395 121.223 0.014 0.000 2.341 231 L HA 0.168 4.508 4.340 0.000 0.000 0.214 231 L C 1.101 177.966 176.870 -0.007 0.000 1.115 231 L CA 0.734 55.574 54.840 0.000 0.000 0.820 231 L CB -0.367 41.691 42.059 -0.001 0.000 0.944 231 L HN 0.846 nan 8.230 nan 0.000 0.452 232 A N -1.617 121.201 122.820 -0.003 0.000 2.589 232 A HA 0.484 4.804 4.320 0.000 0.000 0.296 232 A C -1.261 176.317 177.584 -0.011 0.000 1.062 232 A CA -0.624 51.404 52.037 -0.016 0.000 0.686 232 A CB 0.906 19.890 19.000 -0.026 0.000 1.282 232 A HN -0.026 nan 8.150 nan 0.000 0.404 233 c N 1.777 120.362 118.600 -0.026 0.000 2.435 233 c HA 0.359 4.929 4.570 0.000 0.000 0.375 233 c C 2.014 176.059 174.090 -0.075 0.000 1.281 233 c CA -0.094 56.223 56.329 -0.019 0.000 1.963 233 c CB 0.239 42.748 42.510 -0.001 0.000 2.490 233 c HN 0.932 nan 8.230 nan 0.000 0.557 234 L N 2.649 123.834 121.223 -0.063 0.000 2.093 234 L HA -0.061 4.279 4.340 0.000 0.000 0.208 234 L C 1.612 178.193 176.870 -0.482 0.000 1.085 234 L CA 2.234 56.942 54.840 -0.220 0.000 0.755 234 L CB -0.599 41.386 42.059 -0.124 0.000 0.904 234 L HN 0.862 nan 8.230 nan 0.000 0.435 235 H N -3.289 115.695 119.070 -0.144 0.000 2.162 235 H HA 0.383 4.939 4.556 0.000 0.000 0.228 235 H C -0.660 174.273 175.328 -0.658 0.000 0.941 235 H CA 0.206 56.052 56.048 -0.337 0.000 1.213 235 H CB 0.387 30.103 29.762 -0.076 0.000 1.318 235 H HN 0.040 nan 8.280 nan 0.000 0.496 236 F N 0.513 120.537 119.950 0.123 0.000 2.591 236 F HA 0.292 4.819 4.527 0.000 0.000 0.309 236 F C -0.571 175.262 175.800 0.055 0.000 1.098 236 F CA -1.144 56.897 58.000 0.068 0.000 0.937 236 F CB 1.497 40.541 39.000 0.073 0.000 1.250 236 F HN 0.002 nan 8.300 nan 0.000 0.447 237 N N 1.847 120.676 118.700 0.215 0.000 2.462 237 N HA 0.081 4.821 4.740 0.000 0.000 0.242 237 N C -1.231 174.384 175.510 0.176 0.000 1.010 237 N CA -0.226 52.909 53.050 0.141 0.000 0.939 237 N CB 0.249 38.781 38.487 0.075 0.000 1.127 237 N HN 0.752 nan 8.380 nan 0.000 0.509 238 H N 2.757 121.856 119.070 0.049 0.000 2.741 238 H HA 0.162 4.718 4.556 0.000 0.000 0.261 238 H C -0.150 175.176 175.328 -0.004 0.000 1.365 238 H CA -0.255 55.809 56.048 0.028 0.000 1.266 238 H CB -0.036 29.735 29.762 0.014 0.000 1.485 238 H HN 0.562 nan 8.280 nan 0.000 0.529 239 S N 3.588 119.425 115.700 0.229 0.000 3.477 239 S HA -0.233 4.238 4.470 0.000 0.000 0.371 239 S C 1.310 175.939 174.600 0.048 0.000 0.965 239 S CA 0.995 59.276 58.200 0.134 0.000 1.239 239 S CB -1.490 61.807 63.200 0.163 0.000 0.918 239 S HN 1.274 nan 8.310 nan 0.000 0.498 240 G N -0.644 108.171 108.800 0.025 0.000 2.157 240 G HA2 -0.264 3.696 3.960 0.000 0.000 0.239 240 G HA3 -0.264 3.696 3.960 0.000 0.000 0.239 240 G C -0.043 174.799 174.900 -0.096 0.000 0.982 240 G CA 0.123 45.208 45.100 -0.025 0.000 0.650 240 G HN 0.720 nan 8.290 nan 0.000 0.527 241 I N 1.000 121.495 120.570 -0.124 0.000 2.418 241 I HA 0.344 4.514 4.170 0.000 0.000 0.287 241 I C 0.459 176.470 176.117 -0.177 0.000 1.008 241 I CA -0.995 60.120 61.300 -0.308 0.000 1.104 241 I CB 1.791 39.523 38.000 -0.447 0.000 1.264 241 I HN 0.103 nan 8.210 nan 0.000 0.438 242 c N 5.631 124.120 118.600 -0.185 0.000 2.576 242 c HA 0.357 4.927 4.570 0.000 0.000 0.401 242 c C 0.399 174.516 174.090 0.044 0.000 1.314 242 c CA -0.318 56.000 56.329 -0.020 0.000 1.855 242 c CB -0.816 41.698 42.510 0.007 0.000 2.537 242 c HN 0.682 nan 8.230 nan 0.000 0.578 243 E N 0.878 121.166 120.200 0.148 0.000 2.369 243 E HA 0.262 4.612 4.350 0.000 0.000 0.270 243 E C 0.167 176.885 176.600 0.196 0.000 0.909 243 E CA -0.815 55.689 56.400 0.174 0.000 0.775 243 E CB 1.579 31.387 29.700 0.181 0.000 1.270 243 E HN 0.476 nan 8.360 nan 0.000 0.445 244 L N 1.171 122.427 121.223 0.055 0.000 2.156 244 L HA 0.029 4.369 4.340 0.000 0.000 0.208 244 L C 0.122 176.811 176.870 -0.302 0.000 1.095 244 L CA 1.718 56.422 54.840 -0.226 0.000 0.770 244 L CB 0.112 41.923 42.059 -0.414 0.000 0.914 244 L HN 0.426 nan 8.230 nan 0.000 0.439 245 H N -2.481 116.626 119.070 0.062 0.000 2.865 245 H HA 0.306 4.862 4.556 0.000 0.000 0.372 245 H C -0.814 174.383 175.328 -0.219 0.000 1.173 245 H CA -1.136 54.844 56.048 -0.113 0.000 1.147 245 H CB 1.162 30.874 29.762 -0.084 0.000 1.805 245 H HN -0.144 nan 8.280 nan 0.000 0.553 246 c N 4.654 123.062 118.600 -0.321 0.000 2.576 246 c HA 0.188 4.758 4.570 0.000 0.000 0.401 246 c C -1.083 172.929 174.090 -0.130 0.000 1.314 246 c CA -0.788 55.377 56.329 -0.274 0.000 1.855 246 c CB -0.409 41.864 42.510 -0.395 0.000 2.537 246 c HN 0.586 nan 8.230 nan 0.000 0.578 254 T N -0.015 114.490 114.554 -0.081 0.000 2.909 254 T HA 0.337 4.687 4.350 0.000 0.000 0.289 254 T C -0.180 174.453 174.700 -0.112 0.000 1.005 254 T CA 0.023 62.069 62.100 -0.090 0.000 1.084 254 T CB 0.758 69.566 68.868 -0.100 0.000 0.975 254 T HN 0.484 nan 8.240 nan 0.000 0.509 255 D N 1.315 121.661 120.400 -0.090 0.000 2.455 255 D HA 0.180 4.820 4.640 0.000 0.000 0.228 255 D C 0.623 176.872 176.300 -0.084 0.000 1.070 255 D CA 0.233 54.187 54.000 -0.077 0.000 0.881 255 D CB 0.351 41.136 40.800 -0.025 0.000 1.087 255 D HN 0.523 nan 8.370 nan 0.000 0.498 256 T N -0.907 113.607 114.554 -0.067 0.000 2.929 256 T HA 0.354 4.704 4.350 0.000 0.000 0.284 256 T C -0.847 173.825 174.700 -0.048 0.000 1.014 256 T CA -0.678 61.433 62.100 0.018 0.000 1.051 256 T CB 0.407 69.308 68.868 0.054 0.000 1.028 256 T HN -0.175 nan 8.240 nan 0.000 0.485 257 F N 4.384 124.334 119.950 0.000 0.000 2.640 257 F HA 0.377 4.904 4.527 0.000 0.000 0.354 257 F C 0.673 176.474 175.800 0.001 0.000 1.213 257 F CA -0.523 57.477 58.000 0.000 0.000 1.314 257 F CB -0.421 38.579 39.000 0.000 0.000 1.679 257 F HN 0.670 nan 8.300 nan 0.000 0.622 258 E N -1.198 119.056 120.200 0.090 0.000 2.402 258 E HA 0.678 5.028 4.350 0.000 0.000 0.270 258 E C -1.275 175.340 176.600 0.025 0.000 1.131 258 E CA -1.298 55.141 56.400 0.064 0.000 0.884 258 E CB 0.987 30.727 29.700 0.065 0.000 1.564 258 E HN -0.062 nan 8.360 nan 0.000 0.456 259 S N 0.029 115.743 115.700 0.024 0.000 2.614 259 S HA 0.761 5.231 4.470 0.000 0.000 0.275 259 S C -0.690 173.918 174.600 0.014 0.000 1.161 259 S CA -1.009 57.199 58.200 0.013 0.000 0.969 259 S CB 0.759 63.965 63.200 0.010 0.000 1.059 259 S HN 0.500 nan 8.310 nan 0.000 0.482 260 M N 1.968 121.574 119.600 0.011 0.000 2.777 260 M HA 0.600 5.080 4.480 0.000 0.000 0.307 260 M C -2.174 174.130 176.300 0.008 0.000 1.228 260 M CA -1.849 53.457 55.300 0.010 0.000 0.871 260 M CB 0.466 33.071 32.600 0.009 0.000 1.721 260 M HN 0.577 nan 8.290 nan 0.000 0.487 261 P HA 0.221 nan 4.420 nan 0.000 0.291 261 P C -1.130 176.169 177.300 -0.001 0.000 1.287 261 P CA -0.139 62.963 63.100 0.004 0.000 0.767 261 P CB 0.204 31.904 31.700 0.001 0.000 1.290 262 N N -2.198 116.501 118.700 -0.001 0.000 2.371 262 N HA -0.086 4.654 4.740 0.000 0.000 0.286 262 N C -2.574 172.976 175.510 0.066 0.000 1.438 262 N CA -0.009 53.044 53.050 0.004 0.000 0.640 262 N CB -2.051 36.375 38.487 -0.102 0.000 0.914 262 N HN 0.296 nan 8.380 nan 0.000 0.495 263 P HA -0.054 nan 4.420 nan 0.000 0.257 263 P C 0.809 178.147 177.300 0.063 0.000 1.162 263 P CA 0.545 63.686 63.100 0.068 0.000 0.762 263 P CB 0.405 32.145 31.700 0.066 0.000 0.753 264 E N 1.056 121.273 120.200 0.028 0.000 3.630 264 E HA -0.270 4.080 4.350 0.000 0.000 0.441 264 E C 0.865 177.458 176.600 -0.012 0.000 1.645 264 E CA 1.903 58.303 56.400 0.000 0.000 1.596 264 E CB -1.290 28.400 29.700 -0.018 0.000 1.453 264 E HN 0.636 nan 8.360 nan 0.000 0.400 265 G N -0.515 108.247 108.800 -0.064 0.000 2.498 265 G HA2 0.616 4.576 3.960 0.000 0.000 0.312 265 G HA3 0.616 4.576 3.960 0.000 0.000 0.312 265 G C -1.042 173.745 174.900 -0.189 0.000 1.230 265 G CA -0.705 44.323 45.100 -0.121 0.000 0.968 265 G HN 0.113 nan 8.290 nan 0.000 0.481 266 R N -0.487 119.869 120.500 -0.240 0.000 2.892 266 R HA 0.385 4.725 4.340 0.000 0.000 0.265 266 R C -1.390 174.727 176.300 -0.306 0.000 1.025 266 R CA -0.881 55.072 56.100 -0.245 0.000 0.982 266 R CB 1.327 31.473 30.300 -0.257 0.000 1.185 266 R HN 0.577 nan 8.270 nan 0.000 0.484 267 Y N -0.246 120.016 120.300 -0.064 0.000 2.323 267 Y HA 0.136 4.686 4.550 0.000 0.000 0.331 267 Y C 1.195 177.093 175.900 -0.005 0.000 1.092 267 Y CA -0.184 57.899 58.100 -0.029 0.000 1.150 267 Y CB 1.624 40.080 38.460 -0.007 0.000 1.200 267 Y HN 0.429 nan 8.280 nan 0.000 0.472 268 T N 4.936 119.584 114.554 0.156 0.000 2.738 268 T HA 0.249 4.600 4.350 0.000 0.000 0.294 268 T C -1.144 173.728 174.700 0.286 0.000 0.914 268 T CA -0.242 61.947 62.100 0.149 0.000 1.052 268 T CB -0.729 68.154 68.868 0.025 0.000 0.897 268 T HN 0.427 nan 8.240 nan 0.000 0.522 269 F N 5.950 125.968 119.950 0.114 0.000 2.460 269 F HA 0.603 5.130 4.527 0.000 0.000 0.341 269 F C 0.669 176.504 175.800 0.058 0.000 1.130 269 F CA 0.256 58.275 58.000 0.031 0.000 0.962 269 F CB 0.727 39.674 39.000 -0.088 0.000 1.171 269 F HN 1.013 nan 8.300 nan 0.000 0.436 270 G N 4.051 112.536 108.800 -0.524 0.000 2.614 270 G HA2 -0.174 3.786 3.960 0.000 0.000 0.303 270 G HA3 -0.174 3.786 3.960 0.000 0.000 0.303 270 G C 0.359 175.154 174.900 -0.175 0.000 1.270 270 G CA 0.248 45.075 45.100 -0.455 0.000 0.988 270 G HN 1.784 nan 8.290 nan 0.000 0.551 271 A N 0.187 122.879 122.820 -0.212 0.000 2.833 271 A HA 0.692 5.012 4.320 0.000 0.000 0.293 271 A C 0.748 178.327 177.584 -0.008 0.000 1.338 271 A CA 1.353 53.258 52.037 -0.220 0.000 0.959 271 A CB -0.737 18.084 19.000 -0.297 0.000 1.094 271 A HN 2.218 nan 8.150 nan 0.000 0.569 272 S N -1.773 114.015 115.700 0.146 0.000 2.564 272 S HA 0.537 5.007 4.470 0.000 0.000 0.274 272 S C -0.611 174.140 174.600 0.253 0.000 1.124 272 S CA -0.713 57.617 58.200 0.216 0.000 0.869 272 S CB 0.965 64.238 63.200 0.122 0.000 1.105 272 S HN 0.265 nan 8.310 nan 0.000 0.472 273 c N 3.026 121.711 118.600 0.141 0.000 2.394 273 c HA 0.749 5.319 4.570 0.000 0.000 0.362 273 c C 0.590 174.673 174.090 -0.012 0.000 1.268 273 c CA -0.443 55.875 56.329 -0.018 0.000 1.828 273 c CB -0.709 41.647 42.510 -0.256 0.000 2.442 273 c HN 0.792 nan 8.230 nan 0.000 0.549 274 V N 1.921 121.866 119.914 0.053 0.000 3.001 274 V HA 0.576 4.696 4.120 0.000 0.000 0.314 274 V C 0.562 176.694 176.094 0.063 0.000 1.099 274 V CA -0.423 61.914 62.300 0.061 0.000 0.989 274 V CB 1.197 33.078 31.823 0.098 0.000 1.040 274 V HN 0.752 nan 8.190 nan 0.000 0.434 275 T N 1.575 116.158 114.554 0.049 0.000 2.674 275 T HA 0.193 4.543 4.350 0.000 0.000 0.265 275 T C 0.750 175.554 174.700 0.174 0.000 1.039 275 T CA 2.079 64.220 62.100 0.069 0.000 1.150 275 T CB -0.142 68.754 68.868 0.047 0.000 0.864 275 T HN 1.407 nan 8.240 nan 0.000 0.427 276 A N -0.538 122.347 122.820 0.109 0.000 2.454 276 A HA 0.585 4.905 4.320 0.000 0.000 0.302 276 A C -0.137 177.385 177.584 -0.103 0.000 1.079 276 A CA -0.869 51.204 52.037 0.060 0.000 0.731 276 A CB 0.985 19.997 19.000 0.019 0.000 1.299 276 A HN 0.442 nan 8.150 nan 0.000 0.413 277 c N 2.411 120.851 118.600 -0.267 0.000 2.679 277 c HA 0.377 4.947 4.570 0.000 0.000 0.417 277 c C -1.530 172.366 174.090 -0.324 0.000 1.302 277 c CA -0.126 55.987 56.329 -0.361 0.000 1.973 277 c CB -0.607 41.693 42.510 -0.351 0.000 2.715 277 c HN 0.711 nan 8.230 nan 0.000 0.628 278 P HA 0.045 nan 4.420 nan 0.000 0.273 278 P C 0.513 177.819 177.300 0.010 0.000 1.250 278 P CA -0.246 62.661 63.100 -0.322 0.000 0.793 278 P CB 0.209 31.516 31.700 -0.656 0.000 1.011 279 Y N 1.350 121.659 120.300 0.016 0.000 2.030 279 Y HA -0.334 4.216 4.550 0.000 0.000 0.272 279 Y C 1.628 177.577 175.900 0.082 0.000 1.185 279 Y CA 2.480 60.611 58.100 0.052 0.000 1.120 279 Y CB -0.663 37.831 38.460 0.057 0.000 0.955 279 Y HN 0.294 nan 8.280 nan 0.000 0.495 280 N N -1.005 117.710 118.700 0.025 0.000 2.235 280 N HA 0.066 4.806 4.740 0.000 0.000 0.209 280 N C -1.159 174.239 175.510 -0.186 0.000 1.122 280 N CA -0.104 52.829 53.050 -0.195 0.000 0.845 280 N CB -0.140 38.341 38.487 -0.010 0.000 1.004 280 N HN 0.252 nan 8.380 nan 0.000 0.499 281 Y N -0.283 119.934 120.300 -0.138 0.000 2.436 281 Y HA 0.526 5.076 4.550 -0.000 0.000 0.336 281 Y C 0.058 175.889 175.900 -0.115 0.000 1.318 281 Y CA -0.618 57.428 58.100 -0.090 0.000 1.493 281 Y CB 0.797 39.202 38.460 -0.092 0.000 1.547 281 Y HN -0.215 nan 8.280 nan 0.000 0.549 282 L N 0.852 122.135 121.223 0.099 0.000 2.406 282 L HA 0.401 4.741 4.340 0.000 0.000 0.272 282 L C -0.630 176.223 176.870 -0.028 0.000 0.980 282 L CA -0.663 54.183 54.840 0.010 0.000 0.831 282 L CB 1.820 43.899 42.059 0.033 0.000 1.253 282 L HN 0.655 nan 8.230 nan 0.000 0.406 283 S N 0.989 116.608 115.700 -0.135 0.000 2.565 283 S HA 0.608 5.078 4.470 0.000 0.000 0.276 283 S C -0.003 174.587 174.600 -0.016 0.000 1.326 283 S CA -0.606 57.454 58.200 -0.235 0.000 1.045 283 S CB 1.088 63.969 63.200 -0.531 0.000 0.918 283 S HN 0.531 nan 8.310 nan 0.000 0.505 284 T N 2.089 116.699 114.554 0.093 0.000 2.940 284 T HA 0.346 4.696 4.350 0.000 0.000 0.288 284 T C 0.232 175.032 174.700 0.166 0.000 1.033 284 T CA -0.693 61.481 62.100 0.123 0.000 1.033 284 T CB 1.313 70.251 68.868 0.116 0.000 1.079 284 T HN 0.575 nan 8.240 nan 0.000 0.496 285 D N 0.750 121.214 120.400 0.107 0.000 2.178 285 D HA -0.089 4.551 4.640 0.000 0.000 0.201 285 D C 1.969 178.307 176.300 0.064 0.000 0.980 285 D CA 0.566 54.614 54.000 0.082 0.000 0.842 285 D CB -0.222 40.607 40.800 0.050 0.000 0.948 285 D HN 0.244 nan 8.370 nan 0.000 0.472 286 V N -0.036 119.919 119.914 0.067 0.000 3.078 286 V HA 0.065 4.185 4.120 0.000 0.000 0.265 286 V C 1.102 177.226 176.094 0.050 0.000 1.122 286 V CA 1.359 63.687 62.300 0.047 0.000 1.141 286 V CB -0.634 31.220 31.823 0.050 0.000 0.735 286 V HN 0.463 nan 8.190 nan 0.000 0.498 287 G N 0.838 109.706 108.800 0.114 0.000 2.325 287 G HA2 -0.164 3.796 3.960 0.000 0.000 0.248 287 G HA3 -0.164 3.796 3.960 0.000 0.000 0.248 287 G C 0.029 175.078 174.900 0.247 0.000 1.108 287 G CA 0.459 45.629 45.100 0.117 0.000 0.881 287 G HN 1.373 nan 8.290 nan 0.000 0.494 288 S N -1.947 113.952 115.700 0.333 0.000 2.618 288 S HA 0.790 5.260 4.470 0.000 0.000 0.277 288 S C -0.060 174.659 174.600 0.199 0.000 1.138 288 S CA -0.498 57.861 58.200 0.265 0.000 0.844 288 S CB 2.245 65.554 63.200 0.182 0.000 1.127 288 S HN 0.969 nan 8.310 nan 0.000 0.474 289 c N 1.443 120.157 118.600 0.189 0.000 2.365 289 c HA 0.963 5.533 4.570 0.000 0.000 0.351 289 c C 0.655 174.912 174.090 0.278 0.000 1.240 289 c CA -0.206 56.218 56.329 0.158 0.000 2.062 289 c CB 0.723 43.292 42.510 0.099 0.000 2.387 289 c HN 1.017 nan 8.230 nan 0.000 0.537 290 T N 0.988 115.721 114.554 0.300 0.000 2.853 290 T HA 0.483 4.833 4.350 0.000 0.000 0.311 290 T C -0.220 174.591 174.700 0.184 0.000 1.307 290 T CA -0.522 61.736 62.100 0.262 0.000 1.019 290 T CB 0.869 69.833 68.868 0.160 0.000 1.264 290 T HN 0.545 nan 8.240 nan 0.000 0.497 291 L N 2.031 123.312 121.223 0.097 0.000 2.693 291 L HA 0.531 4.871 4.340 0.000 0.000 0.235 291 L C -0.488 176.405 176.870 0.038 0.000 1.127 291 L CA -0.095 54.732 54.840 -0.022 0.000 0.914 291 L CB 1.001 43.006 42.059 -0.090 0.000 1.193 291 L HN 0.270 nan 8.230 nan 0.000 0.502 292 V N -1.128 118.833 119.914 0.077 0.000 2.817 292 V HA 0.232 4.352 4.120 0.000 0.000 0.303 292 V C -0.468 175.681 176.094 0.092 0.000 1.151 292 V CA -0.952 61.405 62.300 0.095 0.000 0.929 292 V CB 2.216 34.092 31.823 0.087 0.000 1.030 292 V HN 0.022 nan 8.190 nan 0.000 0.427 293 c N 6.134 124.791 118.600 0.095 0.000 2.534 293 c HA 0.526 5.096 4.570 0.000 0.000 0.385 293 c C -1.226 172.901 174.090 0.060 0.000 1.264 293 c CA -0.669 55.705 56.329 0.075 0.000 2.342 293 c CB 0.425 42.975 42.510 0.066 0.000 2.564 293 c HN 0.778 nan 8.230 nan 0.000 0.603 294 P HA 0.188 nan 4.420 nan 0.000 0.282 294 P C -0.469 176.857 177.300 0.045 0.000 1.286 294 P CA -0.378 62.751 63.100 0.049 0.000 0.777 294 P CB 0.351 32.083 31.700 0.054 0.000 1.184 295 L N 0.033 121.284 121.223 0.046 0.000 2.472 295 L HA 0.140 4.480 4.340 0.000 0.000 0.260 295 L C 1.158 178.104 176.870 0.128 0.000 1.209 295 L CA 0.300 55.169 54.840 0.050 0.000 0.817 295 L CB -0.728 41.355 42.059 0.040 0.000 1.106 295 L HN 0.509 nan 8.230 nan 0.000 0.479 296 H N 0.537 119.603 119.070 -0.007 0.000 3.211 296 H HA -0.186 4.370 4.556 0.000 0.000 0.240 296 H C -0.633 174.692 175.328 -0.006 0.000 1.148 296 H CA 1.002 57.046 56.048 -0.006 0.000 1.160 296 H CB -0.926 28.835 29.762 -0.002 0.000 1.232 296 H HN 0.666 nan 8.280 nan 0.000 0.321 297 N N 0.470 119.208 118.700 0.063 0.000 2.258 297 N HA 0.304 5.044 4.740 0.000 0.000 0.299 297 N C 0.240 175.746 175.510 -0.008 0.000 1.047 297 N CA -0.398 52.677 53.050 0.042 0.000 0.814 297 N CB 1.854 40.372 38.487 0.051 0.000 1.413 297 N HN 0.219 nan 8.380 nan 0.000 0.478 298 Q N 0.704 120.503 119.800 -0.002 0.000 3.028 298 Q HA 0.458 4.798 4.340 0.000 0.000 0.204 298 Q C -0.737 175.277 176.000 0.023 0.000 1.155 298 Q CA -0.424 55.367 55.803 -0.020 0.000 0.447 298 Q CB 0.612 29.348 28.738 -0.003 0.000 5.412 298 Q HN 0.559 nan 8.270 nan 0.000 0.322 299 E N 0.558 120.791 120.200 0.055 0.000 2.667 299 E HA 0.207 4.557 4.350 0.000 0.000 0.386 299 E C -1.802 174.843 176.600 0.074 0.000 1.000 299 E CA -0.249 56.203 56.400 0.088 0.000 0.722 299 E CB 0.924 30.731 29.700 0.179 0.000 1.529 299 E HN 0.360 nan 8.360 nan 0.000 0.390 300 V N 1.008 120.950 119.914 0.046 0.000 2.481 300 V HA 0.678 4.798 4.120 0.000 0.000 0.286 300 V C 0.101 176.208 176.094 0.022 0.000 1.042 300 V CA -0.247 62.074 62.300 0.035 0.000 0.928 300 V CB 1.473 33.313 31.823 0.029 0.000 0.986 300 V HN 0.471 nan 8.190 nan 0.000 0.462 301 T N 5.010 119.575 114.554 0.018 0.000 2.728 301 T HA 0.683 5.033 4.350 0.000 0.000 0.296 301 T C 0.501 175.204 174.700 0.006 0.000 0.940 301 T CA 0.320 62.422 62.100 0.004 0.000 1.013 301 T CB 0.996 69.865 68.868 0.002 0.000 0.912 301 T HN 1.337 nan 8.240 nan 0.000 0.484 302 A N 2.762 125.583 122.820 0.001 0.000 2.346 302 A HA 0.285 4.605 4.320 0.000 0.000 0.252 302 A C 1.532 179.121 177.584 0.008 0.000 1.089 302 A CA -0.537 51.504 52.037 0.007 0.000 0.797 302 A CB 0.137 19.140 19.000 0.005 0.000 1.047 302 A HN 0.980 nan 8.150 nan 0.000 0.494 303 E N -0.097 120.110 120.200 0.013 0.000 2.267 303 E HA -0.237 4.113 4.350 0.000 0.000 0.197 303 E C 0.116 176.726 176.600 0.017 0.000 0.998 303 E CA 1.684 58.093 56.400 0.015 0.000 0.830 303 E CB -0.316 29.393 29.700 0.016 0.000 0.751 303 E HN 0.656 nan 8.360 nan 0.000 0.491 304 D N 0.332 120.742 120.400 0.015 0.000 2.224 304 D HA 0.039 4.679 4.640 0.000 0.000 0.205 304 D C 1.439 177.750 176.300 0.019 0.000 0.965 304 D CA 1.524 55.536 54.000 0.019 0.000 0.852 304 D CB 0.161 40.971 40.800 0.017 0.000 0.947 304 D HN 0.450 nan 8.370 nan 0.000 0.494 305 G N -0.626 108.178 108.800 0.005 0.000 2.184 305 G HA2 -0.228 3.732 3.960 0.000 0.000 0.206 305 G HA3 -0.228 3.732 3.960 0.000 0.000 0.206 305 G C 0.377 175.249 174.900 -0.048 0.000 0.995 305 G CA 0.122 45.217 45.100 -0.008 0.000 0.651 305 G HN 0.291 nan 8.290 nan 0.000 0.511 306 T N 2.688 117.218 114.554 -0.040 0.000 2.901 306 T HA 0.498 4.848 4.350 0.000 0.000 0.301 306 T C 0.159 174.825 174.700 -0.057 0.000 1.012 306 T CA 0.159 62.222 62.100 -0.062 0.000 1.135 306 T CB 1.517 70.360 68.868 -0.042 0.000 0.936 306 T HN 0.319 nan 8.240 nan 0.000 0.539 307 Q N 2.076 121.830 119.800 -0.077 0.000 2.266 307 Q HA 0.595 4.935 4.340 0.000 0.000 0.261 307 Q C -0.277 175.699 176.000 -0.040 0.000 0.985 307 Q CA -0.672 55.101 55.803 -0.049 0.000 0.873 307 Q CB 2.586 31.289 28.738 -0.058 0.000 1.306 307 Q HN 0.584 nan 8.270 nan 0.000 0.447 308 R N 0.578 121.073 120.500 -0.009 0.000 2.515 308 R HA 0.372 4.712 4.340 0.000 0.000 0.278 308 R C -1.379 174.937 176.300 0.027 0.000 1.107 308 R CA -0.348 55.752 56.100 0.001 0.000 0.945 308 R CB 1.056 31.360 30.300 0.006 0.000 1.219 308 R HN 0.752 nan 8.270 nan 0.000 0.434 309 c N 3.725 122.347 118.600 0.036 0.000 2.632 309 c HA 0.358 4.928 4.570 0.000 0.000 0.415 309 c C -0.205 173.914 174.090 0.048 0.000 1.332 309 c CA -0.050 56.308 56.329 0.049 0.000 1.874 309 c CB -0.560 41.984 42.510 0.057 0.000 2.596 309 c HN 0.851 nan 8.230 nan 0.000 0.590 310 E N 1.284 121.512 120.200 0.045 0.000 2.372 310 E HA 0.383 4.733 4.350 0.000 0.000 0.279 310 E C -1.523 175.105 176.600 0.047 0.000 0.946 310 E CA -0.936 55.491 56.400 0.044 0.000 0.769 310 E CB 0.994 30.717 29.700 0.039 0.000 1.230 310 E HN 0.499 nan 8.360 nan 0.000 0.442 311 K N 1.019 121.449 120.400 0.050 0.000 2.485 311 K HA 0.103 4.423 4.320 0.000 0.000 0.277 311 K C -0.430 176.213 176.600 0.073 0.000 0.990 311 K CA -0.164 56.165 56.287 0.070 0.000 0.994 311 K CB 0.336 32.864 32.500 0.047 0.000 0.906 311 K HN 0.473 nan 8.250 nan 0.000 0.488 312 c N 2.569 121.233 118.600 0.107 0.000 2.576 312 c HA 0.017 4.587 4.570 0.000 0.000 0.401 312 c C 2.184 176.323 174.090 0.082 0.000 1.314 312 c CA -0.319 56.055 56.329 0.076 0.000 1.855 312 c CB 0.385 42.923 42.510 0.046 0.000 2.537 312 c HN 0.922 nan 8.230 nan 0.000 0.578 313 S N 2.430 118.159 115.700 0.049 0.000 2.357 313 S HA -0.030 4.440 4.470 0.000 0.000 0.221 313 S C 1.075 175.699 174.600 0.040 0.000 1.031 313 S CA 1.177 59.402 58.200 0.041 0.000 0.982 313 S CB 0.050 63.266 63.200 0.027 0.000 0.853 313 S HN 0.779 nan 8.310 nan 0.000 0.458 314 K N 0.876 121.293 120.400 0.030 0.000 2.399 314 K HA 0.387 4.707 4.320 0.000 0.000 0.247 314 K C -2.698 173.913 176.600 0.019 0.000 1.036 314 K CA -2.141 54.160 56.287 0.022 0.000 0.977 314 K CB -0.160 32.346 32.500 0.010 0.000 1.272 314 K HN 0.055 nan 8.250 nan 0.000 0.501 315 P HA 0.061 nan 4.420 nan 0.000 0.267 315 P C -0.772 176.497 177.300 -0.051 0.000 1.205 315 P CA -0.325 62.755 63.100 -0.034 0.000 0.765 315 P CB 0.229 31.910 31.700 -0.032 0.000 0.828 316 c N 3.118 121.664 118.600 -0.091 0.000 2.538 316 c HA 0.316 4.886 4.570 0.000 0.000 0.408 316 c C 1.482 175.528 174.090 -0.073 0.000 1.421 316 c CA -0.323 55.955 56.329 -0.084 0.000 1.642 316 c CB -1.190 41.249 42.510 -0.118 0.000 2.553 316 c HN 0.636 nan 8.230 nan 0.000 0.604 317 A N 4.898 127.681 122.820 -0.062 0.000 2.310 317 A HA 0.473 4.793 4.320 0.000 0.000 0.260 317 A C 0.767 178.306 177.584 -0.075 0.000 1.112 317 A CA -0.447 51.558 52.037 -0.053 0.000 0.804 317 A CB 0.217 19.196 19.000 -0.036 0.000 1.081 317 A HN 0.961 nan 8.150 nan 0.000 0.499 318 R N -0.287 120.177 120.500 -0.059 0.000 2.638 318 R HA 0.276 4.616 4.340 0.000 0.000 0.268 318 R C -1.403 174.824 176.300 -0.122 0.000 1.006 318 R CA 0.210 56.268 56.100 -0.071 0.000 1.088 318 R CB -0.120 30.155 30.300 -0.041 0.000 0.950 318 R HN 0.271 nan 8.270 nan 0.000 0.419 319 V N 3.648 123.439 119.914 -0.205 0.000 2.668 319 V HA 0.126 4.246 4.120 0.000 0.000 0.304 319 V C -0.429 175.418 176.094 -0.411 0.000 1.071 319 V CA -0.931 61.144 62.300 -0.376 0.000 0.894 319 V CB 2.000 33.387 31.823 -0.727 0.000 1.008 319 V HN 0.946 nan 8.190 nan 0.000 0.425 320 c N 5.980 124.484 118.600 -0.161 0.000 2.520 320 c HA 0.398 4.968 4.570 0.000 0.000 0.369 320 c C -0.083 174.008 174.090 0.003 0.000 1.244 320 c CA -0.719 55.596 56.329 -0.023 0.000 1.677 320 c CB -1.664 40.936 42.510 0.151 0.000 2.324 320 c HN 0.653 nan 8.230 nan 0.000 0.557 321 Y N 1.982 122.375 120.300 0.155 0.000 2.327 321 Y HA 0.497 5.047 4.550 0.000 0.000 0.336 321 Y C 1.094 177.142 175.900 0.246 0.000 1.035 321 Y CA 0.466 58.673 58.100 0.179 0.000 1.165 321 Y CB 0.636 39.142 38.460 0.076 0.000 1.181 321 Y HN 0.801 nan 8.280 nan 0.000 0.494 322 G N 2.567 111.625 108.800 0.430 0.000 2.509 322 G HA2 0.431 4.391 3.960 0.000 0.000 0.269 322 G HA3 0.431 4.391 3.960 0.000 0.000 0.269 322 G C -0.445 174.608 174.900 0.255 0.000 1.416 322 G CA -0.975 44.367 45.100 0.402 0.000 1.052 322 G HN 0.570 nan 8.290 nan 0.000 0.542 323 L N 0.167 121.469 121.223 0.132 0.000 2.461 323 L HA 0.377 4.717 4.340 0.000 0.000 0.272 323 L C 1.563 178.451 176.870 0.030 0.000 1.197 323 L CA 0.944 55.823 54.840 0.066 0.000 0.836 323 L CB 0.563 42.619 42.059 -0.006 0.000 1.105 323 L HN 0.976 nan 8.230 nan 0.000 0.477 324 G N 2.303 111.133 108.800 0.049 0.000 2.176 324 G HA2 -0.282 3.679 3.960 0.000 0.000 0.252 324 G HA3 -0.282 3.679 3.960 0.000 0.000 0.252 324 G C -0.509 174.417 174.900 0.044 0.000 1.024 324 G CA 0.292 45.421 45.100 0.048 0.000 0.755 324 G HN 0.471 nan 8.290 nan 0.000 0.507 325 M N -1.235 118.388 119.600 0.038 0.000 2.365 325 M HA 0.555 5.035 4.480 0.000 0.000 0.288 325 M C 0.185 176.405 176.300 -0.133 0.000 1.152 325 M CA 0.388 55.684 55.300 -0.007 0.000 0.948 325 M CB 1.747 34.428 32.600 0.136 0.000 1.729 325 M HN 0.771 nan 8.290 nan 0.000 0.487 326 E N 1.264 121.264 120.200 -0.333 0.000 3.304 326 E HA -0.353 3.997 4.350 0.000 0.000 0.365 326 E C -0.198 176.257 176.600 -0.243 0.000 1.512 326 E CA 2.668 58.778 56.400 -0.484 0.000 1.642 326 E CB -0.857 28.279 29.700 -0.940 0.000 1.738 326 E HN 0.916 nan 8.360 nan 0.000 0.483 327 H N -0.628 118.361 119.070 -0.133 0.000 2.546 327 H HA 0.182 4.738 4.556 0.000 0.000 0.277 327 H C 0.853 176.164 175.328 -0.028 0.000 1.004 327 H CA 0.860 56.869 56.048 -0.065 0.000 1.231 327 H CB -0.058 29.674 29.762 -0.049 0.000 1.382 327 H HN 0.102 nan 8.280 nan 0.000 0.580 328 L N 0.068 121.347 121.223 0.094 0.000 2.928 328 L HA 0.189 4.529 4.340 0.000 0.000 0.246 328 L C 1.868 178.776 176.870 0.063 0.000 1.239 328 L CA -0.034 54.859 54.840 0.088 0.000 1.035 328 L CB 0.247 42.380 42.059 0.123 0.000 1.360 328 L HN 0.141 nan 8.230 nan 0.000 0.529 329 R N 0.483 121.004 120.500 0.036 0.000 2.148 329 R HA -0.067 4.273 4.340 0.000 0.000 0.223 329 R C 1.460 177.782 176.300 0.037 0.000 1.088 329 R CA 0.961 57.076 56.100 0.026 0.000 0.985 329 R CB 0.400 30.698 30.300 -0.003 0.000 0.880 329 R HN 0.376 nan 8.270 nan 0.000 0.451 330 E N -0.109 120.115 120.200 0.040 0.000 2.307 330 E HA 0.034 4.384 4.350 0.000 0.000 0.195 330 E C 0.292 176.919 176.600 0.045 0.000 0.975 330 E CA 0.132 56.555 56.400 0.038 0.000 0.878 330 E CB 0.408 30.127 29.700 0.032 0.000 0.845 330 E HN 0.019 nan 8.360 nan 0.000 0.488 331 V N 4.163 124.108 119.914 0.051 0.000 2.540 331 V HA -0.054 4.066 4.120 0.000 0.000 0.297 331 V C 1.672 177.801 176.094 0.059 0.000 1.024 331 V CA 0.493 62.826 62.300 0.055 0.000 1.105 331 V CB 0.459 32.320 31.823 0.064 0.000 0.938 331 V HN 0.272 nan 8.190 nan 0.000 0.482 332 R N 3.485 124.018 120.500 0.056 0.000 2.290 332 R HA 0.607 4.947 4.340 0.000 0.000 0.197 332 R C 0.456 176.793 176.300 0.063 0.000 0.913 332 R CA 0.610 56.749 56.100 0.065 0.000 1.040 332 R CB 0.393 30.730 30.300 0.062 0.000 0.992 332 R HN 0.671 nan 8.270 nan 0.000 0.500 333 A N 0.500 123.345 122.820 0.041 0.000 2.612 333 A HA 0.468 4.788 4.320 0.000 0.000 0.293 333 A C -1.060 176.511 177.584 -0.021 0.000 1.075 333 A CA -0.754 51.284 52.037 0.002 0.000 0.680 333 A CB 1.787 20.804 19.000 0.029 0.000 1.279 333 A HN -0.019 nan 8.150 nan 0.000 0.411 334 V N 2.596 122.432 119.914 -0.129 0.000 2.446 334 V HA 0.437 4.557 4.120 0.000 0.000 0.276 334 V C 1.003 177.099 176.094 0.002 0.000 1.030 334 V CA 1.023 63.291 62.300 -0.054 0.000 1.033 334 V CB 0.116 31.776 31.823 -0.272 0.000 0.993 334 V HN 1.182 nan 8.190 nan 0.000 0.477 335 T N 0.960 115.550 114.554 0.060 0.000 2.807 335 T HA 0.330 4.680 4.350 0.000 0.000 0.277 335 T C 1.173 175.907 174.700 0.055 0.000 1.006 335 T CA 0.049 62.162 62.100 0.022 0.000 1.006 335 T CB 1.609 70.487 68.868 0.015 0.000 1.274 335 T HN 0.578 nan 8.240 nan 0.000 0.569 336 S N -0.371 115.345 115.700 0.027 0.000 2.515 336 S HA 0.115 4.585 4.470 0.000 0.000 0.231 336 S C 2.118 176.736 174.600 0.030 0.000 0.987 336 S CA 0.399 58.619 58.200 0.033 0.000 0.936 336 S CB -0.909 62.303 63.200 0.019 0.000 0.766 336 S HN 0.993 nan 8.310 nan 0.000 0.528 337 A N 2.960 125.797 122.820 0.029 0.000 1.970 337 A HA 0.030 4.350 4.320 0.000 0.000 0.216 337 A C 1.761 179.355 177.584 0.015 0.000 1.170 337 A CA 1.179 53.225 52.037 0.016 0.000 0.645 337 A CB -0.464 18.543 19.000 0.012 0.000 0.816 337 A HN 0.765 nan 8.150 nan 0.000 0.447 338 N N -1.571 117.159 118.700 0.050 0.000 2.170 338 N HA 0.126 4.866 4.740 0.000 0.000 0.222 338 N C 0.729 176.300 175.510 0.101 0.000 1.218 338 N CA 0.097 53.170 53.050 0.037 0.000 0.889 338 N CB -0.358 38.164 38.487 0.060 0.000 1.083 338 N HN 0.224 nan 8.380 nan 0.000 0.520 339 I N 0.465 121.135 120.570 0.166 0.000 2.361 339 I HA -0.134 4.036 4.170 0.000 0.000 0.251 339 I C 1.582 177.780 176.117 0.136 0.000 1.133 339 I CA 1.580 63.036 61.300 0.260 0.000 1.413 339 I CB 0.024 38.118 38.000 0.156 0.000 1.073 339 I HN 0.091 nan 8.210 nan 0.000 0.424 340 Q N 0.518 120.324 119.800 0.010 0.000 2.369 340 Q HA -0.133 4.207 4.340 0.000 0.000 0.206 340 Q C 1.889 177.824 176.000 -0.109 0.000 0.963 340 Q CA 0.922 56.700 55.803 -0.043 0.000 0.894 340 Q CB -0.217 28.496 28.738 -0.041 0.000 0.965 340 Q HN 0.652 nan 8.270 nan 0.000 0.475 341 E N -0.688 119.367 120.200 -0.242 0.000 2.338 341 E HA -0.103 4.247 4.350 0.000 0.000 0.197 341 E C 0.527 176.845 176.600 -0.472 0.000 1.007 341 E CA 0.482 56.633 56.400 -0.415 0.000 0.849 341 E CB -0.019 29.319 29.700 -0.604 0.000 0.774 341 E HN 0.363 nan 8.360 nan 0.000 0.506 342 F N 0.406 120.348 119.950 -0.015 0.000 2.664 342 F HA 0.282 4.809 4.527 0.000 0.000 0.303 342 F C 0.897 176.654 175.800 -0.073 0.000 1.092 342 F CA -0.647 57.347 58.000 -0.010 0.000 1.305 342 F CB 0.358 39.360 39.000 0.004 0.000 1.054 342 F HN -0.181 nan 8.300 nan 0.000 0.565 343 A N 0.755 123.591 122.820 0.026 0.000 2.537 343 A HA 0.398 4.718 4.320 0.000 0.000 0.260 343 A C 1.546 179.144 177.584 0.023 0.000 1.082 343 A CA 0.757 52.791 52.037 -0.004 0.000 0.765 343 A CB -0.880 18.104 19.000 -0.027 0.000 1.019 343 A HN 0.923 nan 8.150 nan 0.000 0.507 344 G N 1.395 110.214 108.800 0.031 0.000 2.162 344 G HA2 -0.274 3.687 3.960 0.000 0.000 0.260 344 G HA3 -0.274 3.687 3.960 0.000 0.000 0.260 344 G C 0.396 175.337 174.900 0.069 0.000 0.976 344 G CA 0.188 45.313 45.100 0.041 0.000 0.655 344 G HN 1.120 nan 8.290 nan 0.000 0.533 345 c N 0.631 119.298 118.600 0.112 0.000 2.651 345 c HA 0.381 4.951 4.570 0.000 0.000 0.410 345 c C 1.874 176.045 174.090 0.136 0.000 1.372 345 c CA 0.470 56.886 56.329 0.144 0.000 1.707 345 c CB 0.565 43.219 42.510 0.241 0.000 2.501 345 c HN 0.575 nan 8.230 nan 0.000 0.598 346 K N 1.084 121.543 120.400 0.099 0.000 2.284 346 K HA 0.046 4.366 4.320 0.000 0.000 0.198 346 K C 0.646 177.281 176.600 0.058 0.000 1.048 346 K CA 0.792 57.125 56.287 0.077 0.000 0.987 346 K CB 0.234 32.766 32.500 0.053 0.000 0.800 346 K HN 0.605 nan 8.250 nan 0.000 0.486 347 K N 1.197 121.632 120.400 0.058 0.000 2.615 347 K HA 0.289 4.609 4.320 0.000 0.000 0.249 347 K C -1.516 175.081 176.600 -0.005 0.000 0.977 347 K CA -0.294 55.976 56.287 -0.028 0.000 0.833 347 K CB 1.059 33.505 32.500 -0.089 0.000 1.208 347 K HN -0.108 nan 8.250 nan 0.000 0.443 348 I N 4.429 124.982 120.570 -0.029 0.000 2.396 348 I HA 0.270 4.440 4.170 0.000 0.000 0.292 348 I C -0.642 175.418 176.117 -0.095 0.000 0.999 348 I CA -0.766 60.577 61.300 0.072 0.000 1.310 348 I CB 0.749 38.831 38.000 0.137 0.000 1.404 348 I HN 0.533 nan 8.210 nan 0.000 0.496 349 F N 5.301 125.271 119.950 0.034 0.000 2.309 349 F HA 0.614 5.141 4.527 0.000 0.000 0.366 349 F C 0.803 176.681 175.800 0.129 0.000 1.104 349 F CA -0.094 57.938 58.000 0.054 0.000 1.179 349 F CB 0.714 39.724 39.000 0.017 0.000 1.437 349 F HN 0.604 nan 8.300 nan 0.000 0.528 350 G N 0.764 109.652 108.800 0.147 0.000 2.302 350 G HA2 0.262 4.222 3.960 0.000 0.000 0.264 350 G HA3 0.262 4.222 3.960 0.000 0.000 0.264 350 G C -1.346 173.497 174.900 -0.095 0.000 1.335 350 G CA -0.896 44.247 45.100 0.072 0.000 0.982 350 G HN 0.387 nan 8.290 nan 0.000 0.473 351 S N -0.955 114.608 115.700 -0.229 0.000 2.689 351 S HA 0.854 5.324 4.470 0.000 0.000 0.306 351 S C -0.575 173.782 174.600 -0.405 0.000 1.104 351 S CA -0.716 57.168 58.200 -0.527 0.000 0.973 351 S CB 1.766 64.161 63.200 -1.341 0.000 1.121 351 S HN 0.675 nan 8.310 nan 0.000 0.523 352 L N 1.331 122.290 121.223 -0.441 0.000 2.362 352 L HA 0.788 5.128 4.340 0.000 0.000 0.275 352 L C -0.527 176.161 176.870 -0.303 0.000 0.998 352 L CA -0.690 53.888 54.840 -0.437 0.000 0.820 352 L CB 1.704 43.455 42.059 -0.513 0.000 1.270 352 L HN 0.797 nan 8.230 nan 0.000 0.415 353 A N 3.528 126.132 122.820 -0.361 0.000 2.359 353 A HA 0.809 5.129 4.320 0.000 0.000 0.303 353 A C -1.347 176.053 177.584 -0.307 0.000 1.066 353 A CA -0.305 51.694 52.037 -0.064 0.000 0.730 353 A CB 0.716 19.806 19.000 0.151 0.000 1.211 353 A HN 0.509 nan 8.150 nan 0.000 0.439 354 F N 2.700 122.797 119.950 0.245 0.000 2.403 354 F HA 0.606 5.133 4.527 0.000 0.000 0.355 354 F C -0.257 175.684 175.800 0.236 0.000 1.119 354 F CA -0.576 57.555 58.000 0.219 0.000 1.007 354 F CB 1.567 40.811 39.000 0.407 0.000 1.194 354 F HN 0.326 nan 8.300 nan 0.000 0.443 355 L N 5.123 126.529 121.223 0.305 0.000 2.303 355 L HA 0.579 4.919 4.340 0.000 0.000 0.266 355 L C -1.523 175.495 176.870 0.247 0.000 1.011 355 L CA -2.236 52.769 54.840 0.275 0.000 0.818 355 L CB 1.307 43.495 42.059 0.216 0.000 1.326 355 L HN 0.151 nan 8.230 nan 0.000 0.435 356 P HA -0.237 nan 4.420 nan 0.000 0.218 356 P C 0.894 178.293 177.300 0.165 0.000 1.154 356 P CA 1.582 64.810 63.100 0.213 0.000 0.872 356 P CB 0.122 31.914 31.700 0.153 0.000 0.790 357 E N -1.148 119.120 120.200 0.114 0.000 2.333 357 E HA -0.094 4.256 4.350 0.000 0.000 0.198 357 E C 1.684 178.295 176.600 0.018 0.000 1.007 357 E CA 0.983 57.425 56.400 0.069 0.000 0.845 357 E CB -0.820 28.916 29.700 0.060 0.000 0.766 357 E HN 0.155 nan 8.360 nan 0.000 0.507 358 S N 0.392 116.065 115.700 -0.044 0.000 2.355 358 S HA -0.040 4.430 4.470 0.000 0.000 0.222 358 S C 1.357 175.756 174.600 -0.335 0.000 1.031 358 S CA 1.120 59.164 58.200 -0.261 0.000 0.993 358 S CB -0.216 62.687 63.200 -0.495 0.000 0.859 358 S HN 0.350 nan 8.310 nan 0.000 0.453 359 F N 1.008 121.010 119.950 0.088 0.000 2.656 359 F HA 0.209 4.736 4.527 0.000 0.000 0.291 359 F C 1.766 177.580 175.800 0.025 0.000 1.122 359 F CA -0.082 57.939 58.000 0.035 0.000 1.427 359 F CB -0.028 38.973 39.000 0.002 0.000 1.125 359 F HN 0.035 nan 8.300 nan 0.000 0.583 360 D N 0.210 120.719 120.400 0.182 0.000 2.162 360 D HA 0.138 4.779 4.640 0.000 0.000 0.203 360 D C 1.182 177.526 176.300 0.073 0.000 0.967 360 D CA 1.437 55.505 54.000 0.113 0.000 0.840 360 D CB -0.389 40.469 40.800 0.098 0.000 0.972 360 D HN 0.172 nan 8.370 nan 0.000 0.482 361 G N 1.522 110.355 108.800 0.055 0.000 3.285 361 G HA2 -0.206 3.754 3.960 0.000 0.000 0.685 361 G HA3 -0.206 3.754 3.960 0.000 0.000 0.685 361 G C -0.616 174.303 174.900 0.032 0.000 0.938 361 G CA -0.293 44.827 45.100 0.033 0.000 0.778 361 G HN 0.247 nan 8.290 nan 0.000 0.515 362 D N 3.530 123.946 120.400 0.027 0.000 2.412 362 D HA 0.363 5.003 4.640 0.000 0.000 0.257 362 D C -0.080 176.233 176.300 0.021 0.000 1.217 362 D CA -1.148 52.868 54.000 0.026 0.000 0.897 362 D CB 0.959 41.773 40.800 0.024 0.000 1.132 362 D HN 0.158 nan 8.370 nan 0.000 0.493 363 P HA 0.074 nan 4.420 nan 0.000 0.245 363 P C 0.666 177.975 177.300 0.015 0.000 1.206 363 P CA 0.189 63.300 63.100 0.018 0.000 0.781 363 P CB 0.383 32.094 31.700 0.019 0.000 0.994 364 A N 0.232 123.061 122.820 0.015 0.000 1.840 364 A HA 0.006 4.326 4.320 0.000 0.000 0.214 364 A C 1.445 179.035 177.584 0.010 0.000 1.198 364 A CA 1.042 53.087 52.037 0.013 0.000 0.608 364 A CB -1.221 17.788 19.000 0.014 0.000 0.839 364 A HN 0.200 nan 8.150 nan 0.000 0.443 365 S N 1.388 117.094 115.700 0.011 0.000 2.580 365 S HA 0.208 4.678 4.470 0.000 0.000 0.274 365 S C 0.253 174.858 174.600 0.008 0.000 1.329 365 S CA -0.439 57.766 58.200 0.008 0.000 1.036 365 S CB 0.403 63.608 63.200 0.008 0.000 0.919 365 S HN 0.642 nan 8.310 nan 0.000 0.515 366 N N 1.639 120.342 118.700 0.005 0.000 3.027 366 N HA -0.018 4.722 4.740 0.000 0.000 0.309 366 N C -0.606 174.907 175.510 0.005 0.000 1.222 366 N CA -0.278 52.775 53.050 0.004 0.000 1.187 366 N CB -0.673 37.815 38.487 0.002 0.000 1.458 366 N HN 0.547 nan 8.380 nan 0.000 0.535 367 T N -2.333 112.226 114.554 0.008 0.000 2.892 367 T HA 0.636 4.986 4.350 0.000 0.000 0.311 367 T C 0.269 174.976 174.700 0.012 0.000 1.033 367 T CA -0.982 61.123 62.100 0.009 0.000 0.991 367 T CB 1.163 70.037 68.868 0.010 0.000 0.981 367 T HN 0.429 nan 8.240 nan 0.000 0.457 368 A N 5.525 128.352 122.820 0.011 0.000 2.483 368 A HA 0.545 4.865 4.320 0.000 0.000 0.238 368 A C -1.913 175.683 177.584 0.020 0.000 1.070 368 A CA -1.274 50.772 52.037 0.015 0.000 0.770 368 A CB -0.447 18.560 19.000 0.012 0.000 1.008 368 A HN 0.714 nan 8.150 nan 0.000 0.497 369 P HA 0.093 nan 4.420 nan 0.000 0.267 369 P C -0.380 176.950 177.300 0.050 0.000 1.205 369 P CA -0.173 62.954 63.100 0.045 0.000 0.765 369 P CB 0.377 32.114 31.700 0.063 0.000 0.828 370 L N 4.181 125.428 121.223 0.040 0.000 2.513 370 L HA 0.030 4.370 4.340 0.000 0.000 0.272 370 L C 0.536 177.495 176.870 0.149 0.000 1.187 370 L CA 0.719 55.591 54.840 0.053 0.000 0.895 370 L CB -0.163 41.867 42.059 -0.047 0.000 1.147 370 L HN 0.299 nan 8.230 nan 0.000 0.483 371 Q N 6.340 126.190 119.800 0.083 0.000 2.260 371 Q HA 0.288 4.628 4.340 0.000 0.000 0.242 371 Q C -1.710 174.298 176.000 0.013 0.000 0.932 371 Q CA -1.897 53.933 55.803 0.044 0.000 0.891 371 Q CB 0.724 29.465 28.738 0.004 0.000 1.222 371 Q HN 0.457 nan 8.270 nan 0.000 0.453 372 P HA -0.191 nan 4.420 nan 0.000 0.216 372 P C 0.924 178.130 177.300 -0.157 0.000 1.153 372 P CA 1.393 64.374 63.100 -0.198 0.000 0.848 372 P CB 0.180 31.723 31.700 -0.263 0.000 0.787 373 E N 0.314 120.450 120.200 -0.106 0.000 2.472 373 E HA -0.201 4.149 4.350 0.000 0.000 0.200 373 E C 1.553 178.114 176.600 -0.066 0.000 1.046 373 E CA 0.827 57.175 56.400 -0.086 0.000 0.871 373 E CB -0.684 28.977 29.700 -0.066 0.000 0.806 373 E HN 0.381 nan 8.360 nan 0.000 0.533 374 Q N 0.355 120.126 119.800 -0.048 0.000 2.378 374 Q HA 0.075 4.415 4.340 0.000 0.000 0.205 374 Q C 2.045 178.019 176.000 -0.044 0.000 0.954 374 Q CA 0.470 56.254 55.803 -0.033 0.000 0.901 374 Q CB 0.033 28.772 28.738 0.003 0.000 0.981 374 Q HN 0.367 nan 8.270 nan 0.000 0.483 375 L N 0.482 121.680 121.223 -0.042 0.000 2.551 375 L HA -0.134 4.206 4.340 0.000 0.000 0.228 375 L C 2.042 178.891 176.870 -0.034 0.000 1.153 375 L CA 0.454 55.299 54.840 0.009 0.000 0.851 375 L CB -0.270 41.724 42.059 -0.107 0.000 0.959 375 L HN 0.275 nan 8.230 nan 0.000 0.451 376 Q N 0.005 119.760 119.800 -0.076 0.000 2.197 376 Q HA -0.211 4.129 4.340 0.000 0.000 0.207 376 Q C 2.398 178.345 176.000 -0.089 0.000 0.984 376 Q CA 1.995 57.757 55.803 -0.068 0.000 0.869 376 Q CB -0.279 28.423 28.738 -0.060 0.000 0.906 376 Q HN 0.669 nan 8.270 nan 0.000 0.426 377 V N -2.407 117.392 119.914 -0.193 0.000 2.453 377 V HA -0.239 3.881 4.120 0.000 0.000 0.252 377 V C 1.596 177.560 176.094 -0.216 0.000 1.068 377 V CA 1.670 63.816 62.300 -0.258 0.000 1.070 377 V CB -1.007 30.580 31.823 -0.393 0.000 0.664 377 V HN 0.228 nan 8.190 nan 0.000 0.461 378 F N 0.491 120.476 119.950 0.059 0.000 2.811 378 F HA 0.224 4.751 4.527 0.000 0.000 0.301 378 F C 2.359 178.188 175.800 0.049 0.000 1.151 378 F CA 0.827 58.878 58.000 0.086 0.000 1.412 378 F CB -0.233 38.808 39.000 0.068 0.000 1.113 378 F HN 0.190 nan 8.300 nan 0.000 0.579 379 E N 0.679 120.953 120.200 0.122 0.000 2.153 379 E HA -0.190 4.160 4.350 0.000 0.000 0.194 379 E C 1.961 178.614 176.600 0.088 0.000 0.988 379 E CA 1.785 58.230 56.400 0.075 0.000 0.811 379 E CB 0.064 29.778 29.700 0.025 0.000 0.746 379 E HN 0.403 nan 8.360 nan 0.000 0.466 380 T N -0.451 114.160 114.554 0.095 0.000 3.055 380 T HA -0.029 4.321 4.350 0.000 0.000 0.265 380 T C 0.872 175.638 174.700 0.109 0.000 1.111 380 T CA -0.240 61.911 62.100 0.084 0.000 1.118 380 T CB -0.074 68.836 68.868 0.070 0.000 0.909 380 T HN -0.008 nan 8.240 nan 0.000 0.501 381 L N 2.269 123.597 121.223 0.175 0.000 2.559 381 L HA 0.174 4.514 4.340 0.000 0.000 0.274 381 L C 0.861 177.799 176.870 0.113 0.000 1.205 381 L CA 0.591 55.542 54.840 0.185 0.000 0.907 381 L CB 0.296 42.545 42.059 0.316 0.000 1.153 381 L HN 0.121 nan 8.230 nan 0.000 0.490 382 E N 2.234 122.470 120.200 0.060 0.000 2.421 382 E HA 0.149 4.499 4.350 0.000 0.000 0.209 382 E C -0.362 176.226 176.600 -0.019 0.000 0.871 382 E CA 0.074 56.483 56.400 0.016 0.000 1.064 382 E CB 0.701 30.407 29.700 0.010 0.000 1.075 382 E HN 0.702 nan 8.360 nan 0.000 0.513 383 E N 0.827 121.006 120.200 -0.036 0.000 2.308 383 E HA 0.426 4.776 4.350 0.000 0.000 0.275 383 E C -1.512 175.018 176.600 -0.117 0.000 0.890 383 E CA -0.447 55.901 56.400 -0.086 0.000 0.754 383 E CB 1.510 31.139 29.700 -0.119 0.000 1.207 383 E HN -0.056 nan 8.360 nan 0.000 0.426 384 I N 3.921 124.413 120.570 -0.130 0.000 2.436 384 I HA 0.185 4.355 4.170 0.000 0.000 0.289 384 I C 1.271 177.300 176.117 -0.147 0.000 1.010 384 I CA -0.431 60.781 61.300 -0.148 0.000 1.098 384 I CB 2.072 39.980 38.000 -0.153 0.000 1.266 384 I HN 0.789 nan 8.210 nan 0.000 0.434 385 T N 1.388 115.830 114.554 -0.187 0.000 2.896 385 T HA 0.049 4.399 4.350 0.000 0.000 0.263 385 T C 1.227 175.888 174.700 -0.066 0.000 1.050 385 T CA 0.773 62.784 62.100 -0.148 0.000 1.140 385 T CB -0.090 68.669 68.868 -0.180 0.000 0.877 385 T HN 0.644 nan 8.240 nan 0.000 0.457 386 G N 1.256 110.011 108.800 -0.075 0.000 3.152 386 G HA2 0.481 4.441 3.960 0.000 0.000 0.157 386 G HA3 0.481 4.441 3.960 0.000 0.000 0.157 386 G C -0.311 174.593 174.900 0.007 0.000 1.786 386 G CA -0.213 44.851 45.100 -0.060 0.000 1.055 386 G HN 0.708 nan 8.290 nan 0.000 0.528 387 Y N -2.116 118.193 120.300 0.016 0.000 2.570 387 Y HA 0.763 5.313 4.550 0.000 0.000 0.345 387 Y C -1.086 174.802 175.900 -0.021 0.000 1.014 387 Y CA -2.135 55.982 58.100 0.028 0.000 1.063 387 Y CB 1.598 40.120 38.460 0.103 0.000 1.272 387 Y HN 0.417 nan 8.280 nan 0.000 0.477 388 L N 3.478 124.831 121.223 0.218 0.000 2.313 388 L HA 0.536 4.876 4.340 0.000 0.000 0.283 388 L C -1.877 175.137 176.870 0.240 0.000 1.013 388 L CA -0.945 53.939 54.840 0.073 0.000 0.816 388 L CB 0.995 42.945 42.059 -0.180 0.000 1.236 388 L HN 0.753 nan 8.230 nan 0.000 0.419 389 Y N 5.968 126.332 120.300 0.107 0.000 2.346 389 Y HA 0.698 5.248 4.550 0.000 0.000 0.332 389 Y C -1.208 174.751 175.900 0.097 0.000 0.985 389 Y CA -0.940 57.165 58.100 0.008 0.000 1.112 389 Y CB 1.337 39.708 38.460 -0.147 0.000 1.170 389 Y HN 0.528 nan 8.280 nan 0.000 0.447 390 I N 6.175 126.501 120.570 -0.406 0.000 2.466 390 I HA 0.223 4.393 4.170 0.000 0.000 0.279 390 I C 0.148 176.031 176.117 -0.390 0.000 1.033 390 I CA -0.410 60.779 61.300 -0.184 0.000 1.123 390 I CB 1.775 39.680 38.000 -0.158 0.000 1.237 390 I HN 0.736 nan 8.210 nan 0.000 0.460 391 S N 3.296 118.825 115.700 -0.285 0.000 2.539 391 S HA 0.621 5.091 4.470 0.000 0.000 0.221 391 S C 0.420 175.059 174.600 0.064 0.000 0.987 391 S CA -0.211 57.883 58.200 -0.177 0.000 0.929 391 S CB 0.713 63.854 63.200 -0.099 0.000 0.832 391 S HN 0.666 nan 8.310 nan 0.000 0.492 392 A N 0.567 123.522 122.820 0.225 0.000 2.589 392 A HA 0.663 4.983 4.320 0.000 0.000 0.296 392 A C -1.846 176.044 177.584 0.510 0.000 1.062 392 A CA -0.634 51.600 52.037 0.327 0.000 0.686 392 A CB 1.061 20.313 19.000 0.419 0.000 1.282 392 A HN 0.510 nan 8.150 nan 0.000 0.404 393 W N 1.878 123.079 121.300 -0.166 0.000 3.248 393 W HA 0.483 5.143 4.660 0.000 0.000 0.311 393 W C -3.123 172.946 176.519 -0.749 0.000 1.258 393 W CA -1.839 55.200 57.345 -0.510 0.000 1.191 393 W CB 1.895 31.180 29.460 -0.293 0.000 1.389 393 W HN 0.558 nan 8.180 nan 0.000 0.561 394 P HA 0.068 nan 4.420 nan 0.000 0.271 394 P C 0.379 177.408 177.300 -0.452 0.000 1.216 394 P CA 0.493 63.068 63.100 -0.875 0.000 0.771 394 P CB 0.759 31.921 31.700 -0.896 0.000 0.864 395 D N 0.837 121.057 120.400 -0.299 0.000 2.309 395 D HA -0.093 4.547 4.640 0.000 0.000 0.212 395 D C 1.312 177.501 176.300 -0.185 0.000 0.968 395 D CA 1.165 55.048 54.000 -0.195 0.000 0.882 395 D CB 0.060 40.772 40.800 -0.146 0.000 0.918 395 D HN 0.299 nan 8.370 nan 0.000 0.503 396 S N 0.138 115.709 115.700 -0.215 0.000 2.406 396 S HA 0.009 4.479 4.470 0.000 0.000 0.228 396 S C 1.135 175.629 174.600 -0.177 0.000 1.020 396 S CA 0.263 58.356 58.200 -0.178 0.000 0.965 396 S CB 0.229 63.321 63.200 -0.180 0.000 0.798 396 S HN 0.225 nan 8.310 nan 0.000 0.488 397 L N 3.171 124.265 121.223 -0.216 0.000 2.281 397 L HA 0.235 4.575 4.340 0.000 0.000 0.285 397 L C -1.474 175.305 176.870 -0.152 0.000 1.074 397 L CA -1.520 53.221 54.840 -0.164 0.000 0.817 397 L CB 0.688 42.642 42.059 -0.175 0.000 1.168 397 L HN 0.040 nan 8.230 nan 0.000 0.434 398 P HA -0.045 nan 4.420 nan 0.000 0.225 398 P C -0.407 176.428 177.300 -0.775 0.000 1.156 398 P CA 0.838 63.609 63.100 -0.549 0.000 0.787 398 P CB 0.218 31.470 31.700 -0.748 0.000 0.802 399 D N -1.340 118.736 120.400 -0.540 0.000 2.812 399 D HA 0.145 4.785 4.640 0.000 0.000 0.318 399 D C -0.136 176.059 176.300 -0.175 0.000 1.234 399 D CA -0.851 52.844 54.000 -0.509 0.000 0.989 399 D CB 0.123 40.490 40.800 -0.722 0.000 1.442 399 D HN -0.157 nan 8.370 nan 0.000 0.537 400 L N 0.696 121.807 121.223 -0.187 0.000 2.978 400 L HA 0.269 4.609 4.340 0.000 0.000 0.239 400 L C 1.169 178.024 176.870 -0.026 0.000 1.293 400 L CA -0.224 54.524 54.840 -0.153 0.000 1.085 400 L CB 0.065 41.984 42.059 -0.232 0.000 1.432 400 L HN 0.251 nan 8.230 nan 0.000 0.512 401 S N 0.068 115.766 115.700 -0.002 0.000 2.500 401 S HA -0.119 4.351 4.470 0.000 0.000 0.239 401 S C 2.044 176.629 174.600 -0.025 0.000 0.989 401 S CA 1.240 59.445 58.200 0.008 0.000 0.951 401 S CB -0.036 63.188 63.200 0.041 0.000 0.759 401 S HN 0.545 nan 8.310 nan 0.000 0.523 402 V N -1.669 118.197 119.914 -0.079 0.000 2.759 402 V HA 0.054 4.174 4.120 0.000 0.000 0.256 402 V C 1.141 177.095 176.094 -0.234 0.000 1.080 402 V CA 1.398 63.592 62.300 -0.177 0.000 1.101 402 V CB -1.050 30.631 31.823 -0.238 0.000 0.698 402 V HN 0.518 nan 8.190 nan 0.000 0.477 403 F N 0.184 120.153 119.950 0.033 0.000 2.713 403 F HA 0.333 4.860 4.527 -0.000 0.000 0.294 403 F C 2.149 177.892 175.800 -0.094 0.000 1.152 403 F CA 0.031 58.010 58.000 -0.035 0.000 1.385 403 F CB -0.119 38.816 39.000 -0.108 0.000 0.981 403 F HN 0.119 nan 8.300 nan 0.000 0.514 404 Q N 0.803 120.629 119.800 0.043 0.000 2.197 404 Q HA -0.247 4.093 4.340 0.000 0.000 0.211 404 Q C 1.353 177.320 176.000 -0.054 0.000 0.993 404 Q CA 1.737 57.520 55.803 -0.032 0.000 0.883 404 Q CB 0.035 28.764 28.738 -0.015 0.000 0.916 404 Q HN 0.381 nan 8.270 nan 0.000 0.418 405 N N -0.461 118.240 118.700 0.002 0.000 2.205 405 N HA 0.041 4.781 4.740 0.000 0.000 0.201 405 N C -0.464 175.038 175.510 -0.012 0.000 1.128 405 N CA -0.103 52.941 53.050 -0.009 0.000 0.867 405 N CB 0.327 38.825 38.487 0.020 0.000 0.996 405 N HN 0.134 nan 8.380 nan 0.000 0.503 406 L N 2.047 123.268 121.223 -0.003 0.000 2.615 406 L HA -0.040 4.300 4.340 0.000 0.000 0.271 406 L C 1.227 178.044 176.870 -0.089 0.000 1.183 406 L CA 0.737 55.556 54.840 -0.034 0.000 0.933 406 L CB 0.456 42.482 42.059 -0.054 0.000 1.199 406 L HN 0.057 nan 8.230 nan 0.000 0.487 407 Q N 3.427 123.190 119.800 -0.063 0.000 2.304 407 Q HA 0.215 4.555 4.340 0.000 0.000 0.204 407 Q C -0.344 175.631 176.000 -0.043 0.000 0.936 407 Q CA 0.790 56.559 55.803 -0.058 0.000 0.878 407 Q CB 0.662 29.381 28.738 -0.032 0.000 0.983 407 Q HN 0.669 nan 8.270 nan 0.000 0.516 408 V N -1.385 118.507 119.914 -0.038 0.000 2.789 408 V HA 0.576 4.696 4.120 0.000 0.000 0.311 408 V C -0.743 175.331 176.094 -0.032 0.000 1.073 408 V CA -0.956 61.334 62.300 -0.017 0.000 0.921 408 V CB 1.937 33.758 31.823 -0.004 0.000 1.009 408 V HN 0.067 nan 8.190 nan 0.000 0.426 409 I N 4.756 125.326 120.570 0.001 0.000 2.437 409 I HA 0.520 4.690 4.170 0.000 0.000 0.279 409 I C 1.204 177.348 176.117 0.045 0.000 1.028 409 I CA -0.717 60.584 61.300 0.002 0.000 1.142 409 I CB 1.770 39.780 38.000 0.017 0.000 1.266 409 I HN 0.642 nan 8.210 nan 0.000 0.461 410 R N 3.997 124.504 120.500 0.012 0.000 2.096 410 R HA -0.041 4.299 4.340 0.000 0.000 0.235 410 R C 1.545 177.880 176.300 0.057 0.000 1.127 410 R CA 1.097 57.213 56.100 0.026 0.000 0.968 410 R CB -0.358 29.921 30.300 -0.036 0.000 0.861 410 R HN 0.998 nan 8.270 nan 0.000 0.440 411 G N 1.318 110.155 108.800 0.063 0.000 2.160 411 G HA2 -0.326 3.634 3.960 0.000 0.000 0.251 411 G HA3 -0.326 3.634 3.960 0.000 0.000 0.251 411 G C 0.861 175.795 174.900 0.056 0.000 1.008 411 G CA 0.672 45.830 45.100 0.097 0.000 0.724 411 G HN 0.292 nan 8.290 nan 0.000 0.514 412 R N -0.765 119.741 120.500 0.010 0.000 2.200 412 R HA 0.014 4.354 4.340 0.000 0.000 0.234 412 R C 1.050 177.360 176.300 0.016 0.000 1.127 412 R CA 1.136 57.214 56.100 -0.037 0.000 0.989 412 R CB -0.026 30.244 30.300 -0.051 0.000 0.869 412 R HN 0.570 nan 8.270 nan 0.000 0.459 413 I N 1.393 122.013 120.570 0.082 0.000 2.436 413 I HA 0.263 4.433 4.170 0.000 0.000 0.289 413 I C -0.524 175.773 176.117 0.299 0.000 1.010 413 I CA -0.534 60.862 61.300 0.159 0.000 1.098 413 I CB 2.016 40.110 38.000 0.157 0.000 1.266 413 I HN -0.183 nan 8.210 nan 0.000 0.434 414 L N 5.318 126.665 121.223 0.207 0.000 2.322 414 L HA 0.416 4.756 4.340 0.000 0.000 0.281 414 L C -0.134 176.692 176.870 -0.075 0.000 1.014 414 L CA -0.902 54.011 54.840 0.122 0.000 0.815 414 L CB 1.321 43.388 42.059 0.013 0.000 1.247 414 L HN 0.548 nan 8.230 nan 0.000 0.421 415 H N 4.533 123.243 119.070 -0.600 0.000 2.964 415 H HA -0.004 4.552 4.556 0.000 0.000 0.328 415 H C 0.804 175.964 175.328 -0.279 0.000 1.030 415 H CA 0.835 56.361 56.048 -0.871 0.000 1.445 415 H CB 0.386 29.451 29.762 -1.160 0.000 1.449 415 H HN 0.601 nan 8.280 nan 0.000 0.581 416 N N 3.255 121.500 118.700 -0.758 0.000 2.690 416 N HA -0.226 4.514 4.740 0.000 0.000 0.249 416 N C 0.920 176.321 175.510 -0.182 0.000 1.125 416 N CA 1.536 54.354 53.050 -0.386 0.000 0.794 416 N CB -1.222 37.123 38.487 -0.237 0.000 1.152 416 N HN 1.081 nan 8.380 nan 0.000 0.571 417 G N -2.063 106.637 108.800 -0.167 0.000 2.143 417 G HA2 -0.170 3.790 3.960 0.000 0.000 0.249 417 G HA3 -0.170 3.790 3.960 0.000 0.000 0.249 417 G C 0.674 175.478 174.900 -0.160 0.000 0.981 417 G CA 1.260 46.294 45.100 -0.110 0.000 0.665 417 G HN 1.115 nan 8.290 nan 0.000 0.528 418 A N -1.678 120.998 122.820 -0.240 0.000 1.895 418 A HA 0.650 4.970 4.320 0.000 0.000 0.198 418 A C 0.274 177.566 177.584 -0.486 0.000 1.709 418 A CA 0.504 52.269 52.037 -0.453 0.000 1.194 418 A CB 0.594 19.160 19.000 -0.724 0.000 1.260 418 A HN 0.669 nan 8.150 nan 0.000 0.441 419 Y N 0.800 121.082 120.300 -0.030 0.000 2.352 419 Y HA 0.416 4.966 4.550 -0.000 0.000 0.339 419 Y C 1.434 177.360 175.900 0.043 0.000 0.992 419 Y CA -0.119 57.987 58.100 0.011 0.000 1.100 419 Y CB 2.020 40.512 38.460 0.052 0.000 1.192 419 Y HN 0.195 nan 8.280 nan 0.000 0.458 420 S N 1.838 117.683 115.700 0.242 0.000 2.486 420 S HA 0.178 4.648 4.470 0.000 0.000 0.220 420 S C -0.146 174.598 174.600 0.241 0.000 1.011 420 S CA 0.016 58.361 58.200 0.243 0.000 0.921 420 S CB 0.352 63.674 63.200 0.204 0.000 0.785 420 S HN 0.474 nan 8.310 nan 0.000 0.517 421 L N 1.825 123.179 121.223 0.218 0.000 2.491 421 L HA 0.608 4.948 4.340 0.000 0.000 0.267 421 L C -1.598 175.317 176.870 0.074 0.000 0.971 421 L CA 0.136 55.061 54.840 0.141 0.000 0.857 421 L CB 2.008 44.155 42.059 0.147 0.000 1.226 421 L HN 0.022 nan 8.230 nan 0.000 0.408 422 T N 6.290 120.851 114.554 0.013 0.000 2.840 422 T HA 0.638 4.988 4.350 0.000 0.000 0.287 422 T C -0.680 173.883 174.700 -0.227 0.000 0.991 422 T CA -0.293 61.741 62.100 -0.111 0.000 0.964 422 T CB 1.149 69.984 68.868 -0.054 0.000 0.954 422 T HN 0.425 nan 8.240 nan 0.000 0.438 423 L N 4.666 125.768 121.223 -0.202 0.000 2.372 423 L HA 0.553 4.893 4.340 0.000 0.000 0.273 423 L C -0.226 176.495 176.870 -0.248 0.000 0.989 423 L CA -0.807 53.893 54.840 -0.233 0.000 0.841 423 L CB 1.375 43.337 42.059 -0.162 0.000 1.225 423 L HN 0.667 nan 8.230 nan 0.000 0.414 424 Q N 1.555 121.168 119.800 -0.312 0.000 2.359 424 Q HA 0.631 4.971 4.340 0.000 0.000 0.274 424 Q C 0.319 176.180 176.000 -0.232 0.000 1.074 424 Q CA -0.584 54.985 55.803 -0.389 0.000 0.810 424 Q CB 2.363 30.777 28.738 -0.539 0.000 1.342 424 Q HN 0.657 nan 8.270 nan 0.000 0.427 425 G N 1.841 110.550 108.800 -0.152 0.000 2.323 425 G HA2 -0.242 3.718 3.960 0.000 0.000 0.292 425 G HA3 -0.242 3.718 3.960 0.000 0.000 0.292 425 G C 0.096 174.997 174.900 0.002 0.000 1.040 425 G CA 0.799 45.910 45.100 0.019 0.000 0.942 425 G HN 0.595 nan 8.290 nan 0.000 0.506 426 L N -0.668 120.530 121.223 -0.040 0.000 2.269 426 L HA 0.330 4.670 4.340 0.000 0.000 0.200 426 L C 2.392 179.247 176.870 -0.024 0.000 1.069 426 L CA 0.844 55.663 54.840 -0.036 0.000 0.804 426 L CB -0.458 41.539 42.059 -0.103 0.000 0.987 426 L HN 1.071 nan 8.230 nan 0.000 0.468 427 G N 2.095 110.882 108.800 -0.022 0.000 2.221 427 G HA2 -0.274 3.686 3.960 0.000 0.000 0.265 427 G HA3 -0.274 3.686 3.960 0.000 0.000 0.265 427 G C 0.310 175.160 174.900 -0.083 0.000 1.041 427 G CA 0.517 45.605 45.100 -0.019 0.000 0.807 427 G HN 0.455 nan 8.290 nan 0.000 0.502 428 I N -2.444 118.074 120.570 -0.086 0.000 2.823 428 I HA 0.601 4.771 4.170 0.000 0.000 0.290 428 I C 1.285 177.350 176.117 -0.086 0.000 1.091 428 I CA -0.156 61.052 61.300 -0.154 0.000 1.365 428 I CB 1.061 38.931 38.000 -0.217 0.000 1.427 428 I HN -0.084 nan 8.210 nan 0.000 0.583 429 S N 1.992 117.602 115.700 -0.151 0.000 2.483 429 S HA 0.150 4.620 4.470 0.000 0.000 0.221 429 S C -0.226 174.608 174.600 0.389 0.000 1.030 429 S CA 0.154 58.434 58.200 0.132 0.000 0.925 429 S CB -0.094 63.250 63.200 0.241 0.000 0.795 429 S HN 0.829 nan 8.310 nan 0.000 0.511 430 W N -1.070 120.314 121.300 0.140 0.000 3.038 430 W HA 0.670 5.330 4.660 0.000 0.000 0.347 430 W C -0.245 176.317 176.519 0.071 0.000 1.219 430 W CA -0.902 56.538 57.345 0.158 0.000 1.142 430 W CB 0.180 29.611 29.460 -0.048 0.000 1.484 430 W HN -0.244 nan 8.180 nan 0.000 0.586 431 L N 1.246 122.679 121.223 0.351 0.000 2.116 431 L HA 0.306 4.646 4.340 0.000 0.000 0.200 431 L C 1.973 178.956 176.870 0.189 0.000 1.084 431 L CA 1.024 56.001 54.840 0.228 0.000 0.766 431 L CB -0.950 41.340 42.059 0.385 0.000 0.930 431 L HN 1.138 nan 8.230 nan 0.000 0.453 432 G N 0.375 109.373 108.800 0.331 0.000 2.162 432 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 432 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 432 G C 0.405 175.261 174.900 -0.073 0.000 0.976 432 G CA 0.071 45.291 45.100 0.200 0.000 0.655 432 G HN 0.236 nan 8.290 nan 0.000 0.533 433 L N 1.116 122.189 121.223 -0.250 0.000 2.650 433 L HA 0.207 4.547 4.340 0.000 0.000 0.239 433 L C 2.198 178.238 176.870 -1.382 0.000 1.412 433 L CA 0.342 54.798 54.840 -0.640 0.000 1.219 433 L CB -0.253 41.448 42.059 -0.596 0.000 1.534 433 L HN 0.486 nan 8.230 nan 0.000 0.430 434 R N -2.276 117.688 120.500 -0.893 0.000 2.323 434 R HA 0.029 4.370 4.340 0.000 0.000 0.198 434 R C 1.051 177.040 176.300 -0.518 0.000 0.988 434 R CA 0.529 56.097 56.100 -0.886 0.000 1.041 434 R CB -0.055 30.097 30.300 -0.247 0.000 0.926 434 R HN 0.206 nan 8.270 nan 0.000 0.476 435 S N 0.417 115.844 115.700 -0.454 0.000 2.539 435 S HA 0.152 4.622 4.470 0.000 0.000 0.221 435 S C -0.029 174.434 174.600 -0.229 0.000 0.987 435 S CA -0.603 57.455 58.200 -0.236 0.000 0.929 435 S CB 0.284 63.401 63.200 -0.139 0.000 0.832 435 S HN 0.197 nan 8.310 nan 0.000 0.492 436 L N 4.365 125.341 121.223 -0.412 0.000 2.456 436 L HA 0.217 4.557 4.340 0.000 0.000 0.277 436 L C 1.140 177.974 176.870 -0.059 0.000 1.124 436 L CA 0.389 55.069 54.840 -0.267 0.000 0.880 436 L CB 0.218 42.032 42.059 -0.408 0.000 1.192 436 L HN 0.174 nan 8.230 nan 0.000 0.463 437 R N 2.686 123.174 120.500 -0.020 0.000 2.419 437 R HA 0.311 4.651 4.340 0.000 0.000 0.235 437 R C -0.069 176.242 176.300 0.019 0.000 0.899 437 R CA -0.213 55.897 56.100 0.018 0.000 1.048 437 R CB 0.438 30.746 30.300 0.013 0.000 1.182 437 R HN 0.570 nan 8.270 nan 0.000 0.544 438 E N 1.317 121.533 120.200 0.027 0.000 2.291 438 E HA 0.285 4.635 4.350 0.000 0.000 0.276 438 E C -1.595 175.058 176.600 0.088 0.000 0.896 438 E CA -0.679 55.758 56.400 0.060 0.000 0.774 438 E CB 1.870 31.620 29.700 0.082 0.000 1.227 438 E HN 0.146 nan 8.360 nan 0.000 0.413 439 L N 5.097 126.402 121.223 0.136 0.000 2.313 439 L HA 0.397 4.737 4.340 0.000 0.000 0.273 439 L C 1.364 178.385 176.870 0.252 0.000 1.028 439 L CA -0.435 54.533 54.840 0.214 0.000 0.871 439 L CB 1.332 43.584 42.059 0.322 0.000 1.242 439 L HN 0.959 nan 8.230 nan 0.000 0.434 440 G N 2.231 111.161 108.800 0.215 0.000 2.529 440 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 440 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 440 G C 0.592 175.646 174.900 0.256 0.000 1.177 440 G CA 1.155 46.425 45.100 0.283 0.000 0.773 440 G HN 0.602 nan 8.290 nan 0.000 0.573 441 S N -3.240 112.573 115.700 0.188 0.000 2.643 441 S HA 0.670 5.140 4.470 0.000 0.000 0.270 441 S C -0.198 174.460 174.600 0.097 0.000 1.166 441 S CA 0.346 58.625 58.200 0.132 0.000 0.815 441 S CB 1.604 64.872 63.200 0.114 0.000 1.139 441 S HN 2.101 nan 8.310 nan 0.000 0.472 442 G N -0.238 108.572 108.800 0.017 0.000 2.756 442 G HA2 0.036 3.996 3.960 0.000 0.000 0.678 442 G HA3 0.036 3.996 3.960 0.000 0.000 0.678 442 G C -1.093 173.763 174.900 -0.073 0.000 1.349 442 G CA -0.505 44.575 45.100 -0.034 0.000 0.847 442 G HN 1.073 nan 8.290 nan 0.000 0.548 443 L N 0.239 121.402 121.223 -0.100 0.000 2.399 443 L HA 0.731 5.071 4.340 0.000 0.000 0.265 443 L C 1.059 178.049 176.870 0.200 0.000 1.089 443 L CA -0.513 54.280 54.840 -0.077 0.000 0.802 443 L CB 1.568 43.544 42.059 -0.139 0.000 1.180 443 L HN 1.176 nan 8.230 nan 0.000 0.454 444 A N 2.205 125.138 122.820 0.187 0.000 2.305 444 A HA 0.691 5.011 4.320 0.000 0.000 0.322 444 A C -1.038 176.559 177.584 0.022 0.000 1.187 444 A CA -0.387 51.735 52.037 0.142 0.000 0.825 444 A CB 1.219 20.242 19.000 0.038 0.000 1.164 444 A HN 0.512 nan 8.150 nan 0.000 0.498 445 L N 3.375 124.545 121.223 -0.088 0.000 2.372 445 L HA 0.712 5.052 4.340 0.000 0.000 0.274 445 L C -1.268 175.528 176.870 -0.122 0.000 0.988 445 L CA -0.105 54.608 54.840 -0.211 0.000 0.833 445 L CB 1.019 42.691 42.059 -0.644 0.000 1.236 445 L HN 0.570 nan 8.230 nan 0.000 0.410 446 I N 5.855 126.391 120.570 -0.058 0.000 2.466 446 I HA 0.399 4.569 4.170 0.000 0.000 0.279 446 I C -1.028 175.137 176.117 0.079 0.000 1.033 446 I CA -0.501 60.784 61.300 -0.026 0.000 1.123 446 I CB 0.925 38.892 38.000 -0.055 0.000 1.237 446 I HN 0.808 nan 8.210 nan 0.000 0.460 447 H N 2.265 121.310 119.070 -0.042 0.000 2.980 447 H HA 0.501 5.057 4.556 0.000 0.000 0.367 447 H C 0.020 175.394 175.328 0.076 0.000 1.206 447 H CA -0.964 55.095 56.048 0.017 0.000 1.126 447 H CB 0.941 30.709 29.762 0.010 0.000 1.838 447 H HN 0.527 nan 8.280 nan 0.000 0.552 448 H N 0.275 119.301 119.070 -0.072 0.000 2.713 448 H HA -0.182 4.374 4.556 0.000 0.000 0.311 448 H C -0.983 174.271 175.328 -0.122 0.000 1.175 448 H CA 0.930 56.917 56.048 -0.101 0.000 1.143 448 H CB -1.328 28.362 29.762 -0.119 0.000 1.434 448 H HN 0.713 nan 8.280 nan 0.000 0.418 449 N N 0.673 119.290 118.700 -0.138 0.000 2.817 449 N HA 0.056 4.796 4.740 0.000 0.000 0.234 449 N C 1.219 176.664 175.510 -0.107 0.000 1.066 449 N CA 0.481 53.466 53.050 -0.109 0.000 0.926 449 N CB 1.207 39.649 38.487 -0.075 0.000 1.176 449 N HN 0.532 nan 8.380 nan 0.000 0.506 450 T N -2.120 112.339 114.554 -0.158 0.000 2.977 450 T HA -0.143 4.207 4.350 0.000 0.000 0.271 450 T C 0.938 175.516 174.700 -0.202 0.000 1.105 450 T CA 1.266 63.249 62.100 -0.196 0.000 1.116 450 T CB -0.177 68.550 68.868 -0.235 0.000 0.878 450 T HN 0.436 nan 8.240 nan 0.000 0.509 451 H N -0.743 118.286 119.070 -0.068 0.000 2.622 451 H HA 0.489 5.045 4.556 0.000 0.000 0.269 451 H C 0.117 175.449 175.328 0.007 0.000 0.977 451 H CA -0.531 55.502 56.048 -0.025 0.000 1.179 451 H CB 0.274 30.025 29.762 -0.019 0.000 1.458 451 H HN 0.241 nan 8.280 nan 0.000 0.531 452 L N 1.412 122.682 121.223 0.078 0.000 2.385 452 L HA 0.173 4.513 4.340 0.000 0.000 0.281 452 L C -0.317 176.587 176.870 0.057 0.000 1.106 452 L CA 0.047 54.939 54.840 0.086 0.000 0.856 452 L CB -0.391 41.690 42.059 0.037 0.000 1.186 452 L HN 0.229 nan 8.230 nan 0.000 0.453 453 c N 3.660 122.337 118.600 0.128 0.000 2.534 453 c HA 0.467 5.037 4.570 0.000 0.000 0.398 453 c C 0.707 174.875 174.090 0.131 0.000 1.609 453 c CA -0.365 55.943 56.329 -0.037 0.000 1.916 453 c CB 0.444 42.774 42.510 -0.299 0.000 1.954 453 c HN 0.925 nan 8.230 nan 0.000 0.508 454 F N -0.963 119.000 119.950 0.022 0.000 3.034 454 F HA -0.204 4.323 4.527 -0.000 0.000 0.286 454 F C 1.077 176.870 175.800 -0.011 0.000 0.804 454 F CA 0.455 58.461 58.000 0.010 0.000 1.161 454 F CB -1.843 37.204 39.000 0.080 0.000 1.317 454 F HN 0.332 nan 8.300 nan 0.000 0.453 455 V N -1.281 118.646 119.914 0.022 0.000 2.535 455 V HA -0.178 3.942 4.120 0.000 0.000 0.246 455 V C 1.676 177.793 176.094 0.039 0.000 1.045 455 V CA 2.307 64.604 62.300 -0.004 0.000 1.058 455 V CB -0.248 31.410 31.823 -0.275 0.000 0.689 455 V HN 0.528 nan 8.190 nan 0.000 0.461 456 H N -0.618 118.494 119.070 0.070 0.000 2.519 456 H HA 0.106 4.662 4.556 0.000 0.000 0.289 456 H C 1.622 176.955 175.328 0.008 0.000 1.040 456 H CA 0.663 56.740 56.048 0.048 0.000 1.165 456 H CB 0.261 29.991 29.762 -0.054 0.000 1.462 456 H HN 0.513 nan 8.280 nan 0.000 0.555 457 T N -2.419 112.165 114.554 0.050 0.000 3.054 457 T HA 0.167 4.517 4.350 0.000 0.000 0.255 457 T C 0.537 175.150 174.700 -0.144 0.000 1.035 457 T CA -0.234 61.860 62.100 -0.010 0.000 0.941 457 T CB -0.035 68.850 68.868 0.028 0.000 1.026 457 T HN -0.090 nan 8.240 nan 0.000 0.533 458 V N 4.529 124.226 119.914 -0.361 0.000 2.465 458 V HA 0.382 4.502 4.120 0.000 0.000 0.279 458 V C -2.187 173.419 176.094 -0.813 0.000 1.045 458 V CA -2.106 59.629 62.300 -0.942 0.000 0.938 458 V CB 1.340 32.214 31.823 -1.582 0.000 0.986 458 V HN 0.229 nan 8.190 nan 0.000 0.467 459 P HA 0.132 nan 4.420 nan 0.000 0.247 459 P C 0.142 177.145 177.300 -0.496 0.000 1.756 459 P CA -0.261 62.477 63.100 -0.603 0.000 1.117 459 P CB -0.014 31.172 31.700 -0.857 0.000 1.869 460 W N 1.241 122.397 121.300 -0.239 0.000 2.374 460 W HA -0.117 4.543 4.660 0.000 0.000 0.288 460 W C 1.771 178.063 176.519 -0.379 0.000 1.218 460 W CA 0.771 57.884 57.345 -0.386 0.000 1.245 460 W CB -0.962 28.342 29.460 -0.261 0.000 1.126 460 W HN 0.251 nan 8.180 nan 0.000 0.545 461 D N -0.019 120.436 120.400 0.091 0.000 2.239 461 D HA -0.223 4.417 4.640 0.000 0.000 0.202 461 D C 1.702 178.019 176.300 0.029 0.000 0.993 461 D CA 1.459 55.535 54.000 0.126 0.000 0.874 461 D CB -0.329 40.523 40.800 0.086 0.000 0.922 461 D HN 0.466 nan 8.370 nan 0.000 0.464 462 Q N -0.592 119.155 119.800 -0.088 0.000 2.376 462 Q HA 0.031 4.371 4.340 0.000 0.000 0.206 462 Q C 1.971 177.918 176.000 -0.088 0.000 0.921 462 Q CA -0.039 55.710 55.803 -0.090 0.000 0.911 462 Q CB 0.384 29.038 28.738 -0.139 0.000 1.032 462 Q HN 0.132 nan 8.270 nan 0.000 0.510 463 L N -0.414 120.707 121.223 -0.171 0.000 2.095 463 L HA 0.005 4.345 4.340 0.000 0.000 0.204 463 L C 0.682 177.517 176.870 -0.058 0.000 1.080 463 L CA 1.227 55.978 54.840 -0.149 0.000 0.759 463 L CB -0.289 41.639 42.059 -0.218 0.000 0.914 463 L HN 0.047 nan 8.230 nan 0.000 0.439 464 F N -0.926 119.088 119.950 0.106 0.000 2.485 464 F HA 0.068 4.595 4.527 0.000 0.000 0.327 464 F C 1.670 177.459 175.800 -0.019 0.000 1.203 464 F CA -0.495 57.541 58.000 0.061 0.000 1.295 464 F CB 0.437 39.476 39.000 0.066 0.000 1.191 464 F HN -0.134 nan 8.300 nan 0.000 0.588 465 R N 0.792 121.375 120.500 0.138 0.000 2.049 465 R HA 0.083 4.423 4.340 0.000 0.000 0.202 465 R C -0.176 176.053 176.300 -0.119 0.000 1.306 465 R CA 0.258 56.285 56.100 -0.122 0.000 1.107 465 R CB -0.978 29.042 30.300 -0.466 0.000 0.996 465 R HN 0.733 nan 8.270 nan 0.000 0.469 466 N N 3.251 121.896 118.700 -0.093 0.000 2.503 466 N HA 0.105 4.845 4.740 0.000 0.000 0.267 466 N C -2.146 173.322 175.510 -0.070 0.000 1.214 466 N CA -1.049 51.963 53.050 -0.063 0.000 0.959 466 N CB 0.692 39.189 38.487 0.017 0.000 1.142 466 N HN -0.083 nan 8.380 nan 0.000 0.455 467 P HA 0.014 nan 4.420 nan 0.000 0.257 467 P C -0.231 176.918 177.300 -0.252 0.000 1.325 467 P CA 0.586 63.578 63.100 -0.180 0.000 0.850 467 P CB 0.028 31.606 31.700 -0.204 0.000 1.324 468 H N -0.330 118.706 119.070 -0.056 0.000 2.539 468 H HA 0.136 4.692 4.556 0.000 0.000 0.269 468 H C 0.952 176.200 175.328 -0.133 0.000 0.980 468 H CA 0.312 56.320 56.048 -0.067 0.000 1.152 468 H CB 0.325 30.054 29.762 -0.055 0.000 1.407 468 H HN 0.460 nan 8.280 nan 0.000 0.564 469 Q N 0.308 120.004 119.800 -0.174 0.000 2.215 469 Q HA 0.743 5.083 4.340 0.000 0.000 0.256 469 Q C -0.856 174.685 176.000 -0.765 0.000 0.972 469 Q CA -1.174 54.335 55.803 -0.489 0.000 0.889 469 Q CB 2.955 31.311 28.738 -0.637 0.000 1.281 469 Q HN 0.071 nan 8.270 nan 0.000 0.456 470 A N 1.462 123.745 122.820 -0.896 0.000 2.602 470 A HA 0.535 4.855 4.320 0.000 0.000 0.290 470 A C -1.733 175.642 177.584 -0.348 0.000 1.114 470 A CA -0.903 50.771 52.037 -0.605 0.000 0.683 470 A CB 1.585 20.237 19.000 -0.581 0.000 1.281 470 A HN 0.724 nan 8.150 nan 0.000 0.416 471 L N 1.306 122.504 121.223 -0.041 0.000 2.276 471 L HA 0.570 4.910 4.340 0.000 0.000 0.286 471 L C -1.396 175.369 176.870 -0.175 0.000 1.061 471 L CA -0.594 54.166 54.840 -0.134 0.000 0.807 471 L CB 0.588 42.414 42.059 -0.389 0.000 1.177 471 L HN 0.650 nan 8.230 nan 0.000 0.429 472 L N 5.479 126.599 121.223 -0.170 0.000 2.287 472 L HA 0.418 4.758 4.340 0.000 0.000 0.287 472 L C -0.903 175.897 176.870 -0.117 0.000 1.022 472 L CA -0.693 54.026 54.840 -0.203 0.000 0.814 472 L CB 1.211 43.194 42.059 -0.127 0.000 1.217 472 L HN 0.659 nan 8.230 nan 0.000 0.420 473 H N 0.021 119.075 119.070 -0.026 0.000 2.806 473 H HA 0.851 5.408 4.556 0.000 0.000 0.367 473 H C -0.860 174.507 175.328 0.064 0.000 1.136 473 H CA -0.954 55.108 56.048 0.023 0.000 1.178 473 H CB 2.222 32.019 29.762 0.058 0.000 1.718 473 H HN 0.377 nan 8.280 nan 0.000 0.540 474 T N 1.370 116.057 114.554 0.221 0.000 2.977 474 T HA 0.471 4.821 4.350 0.000 0.000 0.345 474 T C -0.407 174.400 174.700 0.179 0.000 1.562 474 T CA 0.232 62.440 62.100 0.180 0.000 1.090 474 T CB 0.432 69.356 68.868 0.093 0.000 1.383 474 T HN 1.818 nan 8.240 nan 0.000 0.484 475 A N 2.588 125.487 122.820 0.133 0.000 2.832 475 A HA -0.159 4.161 4.320 0.000 0.000 0.280 475 A C 0.432 178.013 177.584 -0.005 0.000 1.464 475 A CA 1.350 53.435 52.037 0.079 0.000 0.804 475 A CB -2.480 16.615 19.000 0.159 0.000 1.020 475 A HN 0.835 nan 8.150 nan 0.000 0.563 476 N N -0.566 118.140 118.700 0.010 0.000 2.443 476 N HA 0.376 5.116 4.740 0.000 0.000 0.294 476 N C 0.507 175.981 175.510 -0.060 0.000 1.289 476 N CA -0.474 52.548 53.050 -0.046 0.000 0.966 476 N CB 0.157 38.614 38.487 -0.049 0.000 1.122 476 N HN 0.617 nan 8.380 nan 0.000 0.569 477 R N 0.814 121.270 120.500 -0.074 0.000 2.489 477 R HA 0.150 4.490 4.340 0.000 0.000 0.287 477 R C -2.194 174.077 176.300 -0.050 0.000 1.053 477 R CA -0.819 55.234 56.100 -0.079 0.000 1.036 477 R CB -0.145 30.109 30.300 -0.078 0.000 0.966 477 R HN 0.304 nan 8.270 nan 0.000 0.432 478 P HA -0.118 nan 4.420 nan 0.000 0.265 478 P C 0.022 177.318 177.300 -0.008 0.000 1.187 478 P CA 0.093 63.190 63.100 -0.005 0.000 0.766 478 P CB 0.669 32.361 31.700 -0.014 0.000 0.820 479 E N 2.525 122.746 120.200 0.034 0.000 2.085 479 E HA -0.229 4.121 4.350 0.000 0.000 0.194 479 E C 0.963 177.552 176.600 -0.018 0.000 0.994 479 E CA 1.798 58.223 56.400 0.040 0.000 0.801 479 E CB -0.213 29.537 29.700 0.083 0.000 0.743 479 E HN 0.560 nan 8.360 nan 0.000 0.453 480 D N -0.418 119.971 120.400 -0.018 0.000 2.378 480 D HA -0.110 4.530 4.640 0.000 0.000 0.227 480 D C 0.953 177.229 176.300 -0.040 0.000 1.012 480 D CA 0.534 54.515 54.000 -0.031 0.000 0.905 480 D CB -0.348 40.438 40.800 -0.022 0.000 0.895 480 D HN 0.254 nan 8.370 nan 0.000 0.532 481 E N -0.860 119.312 120.200 -0.046 0.000 2.481 481 E HA 0.134 4.485 4.350 0.000 0.000 0.198 481 E C -0.124 176.431 176.600 -0.075 0.000 1.027 481 E CA -0.150 56.219 56.400 -0.052 0.000 0.900 481 E CB 0.476 30.147 29.700 -0.048 0.000 0.993 481 E HN 0.219 nan 8.360 nan 0.000 0.482 482 c N 1.900 120.438 118.600 -0.105 0.000 2.136 482 c HA 0.186 4.756 4.570 0.000 0.000 0.381 482 c C 1.539 175.533 174.090 -0.160 0.000 1.039 482 c CA -0.610 55.614 56.329 -0.175 0.000 1.491 482 c CB -1.162 41.184 42.510 -0.273 0.000 1.663 482 c HN 0.268 nan 8.230 nan 0.000 0.470 483 V N 0.430 120.278 119.914 -0.110 0.000 3.159 483 V HA 0.435 4.555 4.120 0.000 0.000 0.234 483 V C 1.348 177.405 176.094 -0.061 0.000 1.313 483 V CA 0.908 63.159 62.300 -0.081 0.000 1.271 483 V CB -1.285 30.503 31.823 -0.058 0.000 1.053 483 V HN 0.587 nan 8.190 nan 0.000 0.476 484 G N 1.715 110.489 108.800 -0.044 0.000 2.489 484 G HA2 0.375 4.335 3.960 0.000 0.000 0.271 484 G HA3 0.375 4.335 3.960 0.000 0.000 0.271 484 G C -0.041 174.855 174.900 -0.007 0.000 1.427 484 G CA 0.143 45.230 45.100 -0.022 0.000 1.057 484 G HN 0.818 nan 8.290 nan 0.000 0.532 485 E N -1.547 118.659 120.200 0.010 0.000 2.390 485 E HA 0.411 4.761 4.350 0.000 0.000 0.261 485 E C 1.014 177.642 176.600 0.046 0.000 1.076 485 E CA -0.155 56.263 56.400 0.031 0.000 0.905 485 E CB 0.645 30.361 29.700 0.027 0.000 0.984 485 E HN 1.268 nan 8.360 nan 0.000 0.427 486 G N 1.918 110.757 108.800 0.065 0.000 2.196 486 G HA2 -0.297 3.663 3.960 0.000 0.000 0.268 486 G HA3 -0.297 3.663 3.960 0.000 0.000 0.268 486 G C 0.559 175.583 174.900 0.206 0.000 0.975 486 G CA 0.757 45.903 45.100 0.077 0.000 0.648 486 G HN 0.502 nan 8.290 nan 0.000 0.538 487 L N -1.149 120.152 121.223 0.129 0.000 2.840 487 L HA 0.620 4.960 4.340 0.000 0.000 0.249 487 L C 1.299 177.900 176.870 -0.447 0.000 1.119 487 L CA 0.686 55.479 54.840 -0.078 0.000 0.930 487 L CB 0.298 42.310 42.059 -0.077 0.000 1.295 487 L HN 0.459 nan 8.230 nan 0.000 0.534 488 A N -0.739 121.998 122.820 -0.139 0.000 2.437 488 A HA 0.543 4.864 4.320 0.000 0.000 0.292 488 A C -0.485 177.220 177.584 0.202 0.000 1.173 488 A CA -0.448 51.510 52.037 -0.133 0.000 0.785 488 A CB 0.962 19.900 19.000 -0.104 0.000 1.351 488 A HN 0.056 nan 8.150 nan 0.000 0.431 489 c N 0.514 119.214 118.600 0.167 0.000 2.703 489 c HA 0.296 4.866 4.570 0.000 0.000 0.411 489 c C 0.946 175.097 174.090 0.101 0.000 1.290 489 c CA 0.393 56.825 56.329 0.171 0.000 2.054 489 c CB -1.124 41.423 42.510 0.061 0.000 2.732 489 c HN 0.927 nan 8.230 nan 0.000 0.650 490 H N 1.341 120.413 119.070 0.002 0.000 2.732 490 H HA 0.050 4.606 4.556 0.000 0.000 0.351 490 H C 1.219 176.527 175.328 -0.034 0.000 1.090 490 H CA 0.613 56.646 56.048 -0.024 0.000 1.431 490 H CB 0.572 30.308 29.762 -0.043 0.000 1.447 490 H HN 0.726 nan 8.280 nan 0.000 0.582 491 Q N 3.313 122.701 119.800 -0.687 0.000 2.156 491 Q HA -0.201 4.139 4.340 0.000 0.000 0.211 491 Q C 1.389 177.227 176.000 -0.270 0.000 0.995 491 Q CA 2.098 57.627 55.803 -0.456 0.000 0.877 491 Q CB -0.060 28.380 28.738 -0.496 0.000 0.920 491 Q HN 0.820 nan 8.270 nan 0.000 0.416 492 L N 0.139 121.243 121.223 -0.199 0.000 2.610 492 L HA 0.000 4.340 4.340 0.000 0.000 0.232 492 L C 0.698 177.586 176.870 0.030 0.000 1.149 492 L CA -0.495 54.361 54.840 0.027 0.000 0.872 492 L CB 0.146 42.322 42.059 0.195 0.000 0.992 492 L HN 0.192 nan 8.230 nan 0.000 0.447 493 c N 1.445 120.058 118.600 0.023 0.000 2.585 493 c HA 0.475 5.045 4.570 0.000 0.000 0.406 493 c C 1.219 175.284 174.090 -0.042 0.000 1.312 493 c CA -1.385 54.944 56.329 0.001 0.000 1.924 493 c CB -0.130 42.385 42.510 0.007 0.000 2.578 493 c HN 0.438 nan 8.230 nan 0.000 0.580 494 A N 4.438 127.239 122.820 -0.033 0.000 2.425 494 A HA 0.510 4.830 4.320 0.000 0.000 0.249 494 A C 1.011 178.563 177.584 -0.053 0.000 1.084 494 A CA -0.108 51.903 52.037 -0.043 0.000 0.781 494 A CB 0.198 19.181 19.000 -0.028 0.000 1.019 494 A HN 0.966 nan 8.150 nan 0.000 0.490 495 R N 0.755 121.198 120.500 -0.094 0.000 3.946 495 R HA -0.222 4.118 4.340 0.000 0.000 0.329 495 R C 0.978 176.977 176.300 -0.502 0.000 1.209 495 R CA 1.401 57.392 56.100 -0.183 0.000 0.909 495 R CB -2.456 27.847 30.300 0.005 0.000 1.355 495 R HN 2.482 nan 8.270 nan 0.000 0.539 496 G N 0.244 108.842 108.800 -0.337 0.000 2.249 496 G HA2 -0.343 3.617 3.960 0.000 0.000 0.273 496 G HA3 -0.343 3.617 3.960 0.000 0.000 0.273 496 G C -0.226 174.423 174.900 -0.419 0.000 1.036 496 G CA 1.009 45.907 45.100 -0.335 0.000 0.824 496 G HN 0.732 nan 8.290 nan 0.000 0.504 497 H N -0.786 118.219 119.070 -0.108 0.000 2.481 497 H HA 0.654 5.210 4.556 0.000 0.000 0.333 497 H C 0.599 175.811 175.328 -0.194 0.000 1.066 497 H CA -0.192 55.746 56.048 -0.184 0.000 1.209 497 H CB 1.545 31.176 29.762 -0.219 0.000 1.445 497 H HN 0.866 nan 8.280 nan 0.000 0.488 498 c N 1.006 119.518 118.600 -0.147 0.000 3.312 498 c HA 0.286 4.856 4.570 0.000 0.000 0.332 498 c C -0.411 173.496 174.090 -0.305 0.000 1.340 498 c CA -1.024 55.206 56.329 -0.165 0.000 1.265 498 c CB 0.202 42.700 42.510 -0.019 0.000 1.563 498 c HN 1.075 nan 8.230 nan 0.000 0.471 499 W N 1.452 122.695 121.300 -0.095 0.000 3.211 499 W HA 0.540 5.200 4.660 0.000 0.000 0.292 499 W C 1.217 177.596 176.519 -0.234 0.000 1.268 499 W CA 0.919 58.206 57.345 -0.096 0.000 1.702 499 W CB 0.622 30.034 29.460 -0.079 0.000 1.092 499 W HN 1.325 nan 8.180 nan 0.000 0.643 500 G N -0.677 107.843 108.800 -0.467 0.000 2.427 500 G HA2 0.315 4.275 3.960 0.000 0.000 0.306 500 G HA3 0.315 4.275 3.960 0.000 0.000 0.306 500 G C -3.149 170.909 174.900 -1.404 0.000 1.280 500 G CA -1.013 43.248 45.100 -1.399 0.000 0.837 500 G HN -0.454 nan 8.290 nan 0.000 0.482 501 P HA 0.542 nan 4.420 nan 0.000 0.281 501 P C 0.454 177.496 177.300 -0.429 0.000 1.249 501 P CA 1.060 63.791 63.100 -0.614 0.000 0.810 501 P CB 1.417 32.784 31.700 -0.555 0.000 1.008 502 G N 3.069 111.737 108.800 -0.221 0.000 2.730 502 G HA2 -0.108 3.852 3.960 0.000 0.000 0.686 502 G HA3 -0.108 3.852 3.960 0.000 0.000 0.686 502 G C -2.309 172.425 174.900 -0.276 0.000 1.343 502 G CA -0.522 44.416 45.100 -0.271 0.000 0.826 502 G HN 0.457 nan 8.290 nan 0.000 0.582 503 P HA 0.080 nan 4.420 nan 0.000 0.258 503 P C 1.071 178.282 177.300 -0.148 0.000 1.319 503 P CA 1.460 64.378 63.100 -0.303 0.000 0.785 503 P CB -0.303 31.133 31.700 -0.441 0.000 1.252 504 T N -5.532 108.937 114.554 -0.141 0.000 3.132 504 T HA 0.224 4.574 4.350 0.000 0.000 0.274 504 T C 1.058 175.724 174.700 -0.057 0.000 1.011 504 T CA -0.141 61.909 62.100 -0.084 0.000 0.899 504 T CB 0.007 68.824 68.868 -0.085 0.000 1.089 504 T HN -0.089 nan 8.240 nan 0.000 0.543 505 Q N 0.256 120.020 119.800 -0.061 0.000 2.127 505 Q HA 0.298 4.638 4.340 0.000 0.000 0.222 505 Q C 0.065 176.111 176.000 0.076 0.000 0.794 505 Q CA -0.208 55.590 55.803 -0.008 0.000 1.010 505 Q CB 0.429 29.084 28.738 -0.139 0.000 1.170 505 Q HN 0.536 nan 8.270 nan 0.000 0.479 506 c N 0.785 119.414 118.600 0.049 0.000 2.662 506 c HA 0.100 4.670 4.570 0.000 0.000 0.420 506 c C 2.447 176.609 174.090 0.119 0.000 1.314 506 c CA -0.373 55.991 56.329 0.058 0.000 1.963 506 c CB 0.281 42.812 42.510 0.034 0.000 2.686 506 c HN 0.201 nan 8.230 nan 0.000 0.609 507 V N 2.315 122.279 119.914 0.085 0.000 2.255 507 V HA -0.058 4.062 4.120 0.000 0.000 0.243 507 V C 1.071 177.209 176.094 0.074 0.000 1.038 507 V CA 1.772 64.142 62.300 0.117 0.000 1.008 507 V CB -0.413 31.391 31.823 -0.031 0.000 0.645 507 V HN 0.862 nan 8.190 nan 0.000 0.449 508 N N -1.390 117.333 118.700 0.039 0.000 2.319 508 N HA 0.287 5.027 4.740 0.000 0.000 0.305 508 N C -1.252 174.257 175.510 -0.002 0.000 1.103 508 N CA -0.383 52.676 53.050 0.016 0.000 0.815 508 N CB 1.749 40.242 38.487 0.010 0.000 1.288 508 N HN 0.252 nan 8.380 nan 0.000 0.493 509 c N 2.203 120.785 118.600 -0.030 0.000 2.285 509 c HA 0.306 4.876 4.570 0.000 0.000 0.335 509 c C 2.188 176.223 174.090 -0.090 0.000 1.267 509 c CA -0.379 55.918 56.329 -0.053 0.000 1.762 509 c CB -0.660 41.806 42.510 -0.073 0.000 2.365 509 c HN 0.868 nan 8.230 nan 0.000 0.527 510 S N 3.392 119.043 115.700 -0.081 0.000 2.365 510 S HA -0.141 4.329 4.470 0.000 0.000 0.225 510 S C 1.533 176.016 174.600 -0.196 0.000 1.039 510 S CA 1.870 60.004 58.200 -0.110 0.000 1.033 510 S CB -0.019 63.131 63.200 -0.083 0.000 0.887 510 S HN 0.904 nan 8.310 nan 0.000 0.447 511 Q N -1.015 118.644 119.800 -0.236 0.000 2.729 511 Q HA 0.428 4.768 4.340 0.000 0.000 0.228 511 Q C -0.318 175.278 176.000 -0.673 0.000 1.021 511 Q CA 0.196 55.699 55.803 -0.501 0.000 0.561 511 Q CB -0.209 28.340 28.738 -0.314 0.000 3.921 511 Q HN 0.492 nan 8.270 nan 0.000 0.430 512 F N 0.108 120.017 119.950 -0.068 0.000 2.556 512 F HA 0.515 5.042 4.527 -0.000 0.000 0.327 512 F C -0.178 175.544 175.800 -0.130 0.000 1.059 512 F CA -0.858 57.077 58.000 -0.108 0.000 0.953 512 F CB 1.371 40.321 39.000 -0.083 0.000 1.227 512 F HN -0.016 nan 8.300 nan 0.000 0.478 513 L N 2.306 123.518 121.223 -0.019 0.000 2.296 513 L HA 0.517 4.857 4.340 0.000 0.000 0.286 513 L C -0.167 176.704 176.870 0.002 0.000 1.023 513 L CA -0.595 54.200 54.840 -0.075 0.000 0.812 513 L CB 1.612 43.521 42.059 -0.250 0.000 1.223 513 L HN 0.559 nan 8.230 nan 0.000 0.421 514 R N 2.891 123.403 120.500 0.020 0.000 2.278 514 R HA 0.443 4.783 4.340 0.000 0.000 0.322 514 R C 0.573 176.891 176.300 0.031 0.000 1.058 514 R CA 0.609 56.721 56.100 0.020 0.000 0.991 514 R CB 0.722 31.016 30.300 -0.009 0.000 1.140 514 R HN 0.903 nan 8.270 nan 0.000 0.518 515 G N 2.593 111.436 108.800 0.072 0.000 2.565 515 G HA2 -0.370 3.590 3.960 0.000 0.000 0.295 515 G HA3 -0.370 3.590 3.960 0.000 0.000 0.295 515 G C 0.527 175.463 174.900 0.061 0.000 1.165 515 G CA 0.068 45.205 45.100 0.061 0.000 0.977 515 G HN 0.539 nan 8.290 nan 0.000 0.546 516 Q N 1.486 121.302 119.800 0.025 0.000 2.424 516 Q HA 0.204 4.544 4.340 0.000 0.000 0.204 516 Q C 1.203 177.201 176.000 -0.004 0.000 0.933 516 Q CA 0.864 56.676 55.803 0.014 0.000 0.929 516 Q CB 0.373 29.110 28.738 -0.000 0.000 1.037 516 Q HN 0.724 nan 8.270 nan 0.000 0.511 517 E N -0.223 119.971 120.200 -0.010 0.000 2.191 517 E HA 0.197 4.547 4.350 0.000 0.000 0.278 517 E C -1.006 175.582 176.600 -0.020 0.000 0.972 517 E CA -0.392 55.990 56.400 -0.030 0.000 0.804 517 E CB 1.278 30.955 29.700 -0.040 0.000 1.110 517 E HN 0.024 nan 8.360 nan 0.000 0.394 518 c N 4.686 123.270 118.600 -0.026 0.000 2.482 518 c HA 0.365 4.935 4.570 0.000 0.000 0.378 518 c C 0.028 174.132 174.090 0.023 0.000 1.284 518 c CA -0.620 55.709 56.329 0.001 0.000 1.826 518 c CB -0.988 41.532 42.510 0.016 0.000 2.473 518 c HN 0.458 nan 8.230 nan 0.000 0.562 519 V N 2.436 122.385 119.914 0.057 0.000 2.864 519 V HA 0.578 4.698 4.120 0.000 0.000 0.314 519 V C 0.531 176.707 176.094 0.137 0.000 1.073 519 V CA -0.524 61.825 62.300 0.080 0.000 0.956 519 V CB 1.804 33.663 31.823 0.059 0.000 1.023 519 V HN 0.714 nan 8.190 nan 0.000 0.435 520 E N 2.013 122.284 120.200 0.118 0.000 2.028 520 E HA -0.011 4.339 4.350 0.000 0.000 0.191 520 E C 0.488 177.237 176.600 0.248 0.000 0.988 520 E CA 1.851 58.331 56.400 0.134 0.000 0.799 520 E CB 0.163 29.911 29.700 0.081 0.000 0.755 520 E HN 0.900 nan 8.360 nan 0.000 0.447 521 E N -1.413 118.886 120.200 0.164 0.000 2.340 521 E HA 0.364 4.714 4.350 0.000 0.000 0.273 521 E C -1.228 175.300 176.600 -0.120 0.000 0.891 521 E CA -0.901 55.535 56.400 0.060 0.000 0.757 521 E CB 1.918 31.623 29.700 0.008 0.000 1.231 521 E HN 0.057 nan 8.360 nan 0.000 0.439 522 c N 1.013 119.365 118.600 -0.412 0.000 2.520 522 c HA 0.254 4.824 4.570 0.000 0.000 0.376 522 c C 0.866 174.825 174.090 -0.218 0.000 1.268 522 c CA -0.471 55.653 56.329 -0.341 0.000 2.414 522 c CB -0.186 42.023 42.510 -0.501 0.000 2.521 522 c HN 0.648 nan 8.230 nan 0.000 0.618 523 R N 1.795 122.202 120.500 -0.155 0.000 4.576 523 R HA 0.132 4.472 4.340 0.000 0.000 0.185 523 R C 0.706 176.940 176.300 -0.110 0.000 1.837 523 R CA -0.175 55.859 56.100 -0.109 0.000 1.520 523 R CB -0.271 29.982 30.300 -0.079 0.000 1.403 523 R HN 0.623 nan 8.270 nan 0.000 0.831 524 V N 0.458 120.294 119.914 -0.131 0.000 2.302 524 V HA -0.179 3.941 4.120 0.000 0.000 0.243 524 V C 1.913 177.953 176.094 -0.090 0.000 1.036 524 V CA 1.461 63.691 62.300 -0.117 0.000 1.020 524 V CB -0.190 31.553 31.823 -0.134 0.000 0.657 524 V HN 0.522 nan 8.190 nan 0.000 0.453 525 L N -0.451 120.726 121.223 -0.076 0.000 2.357 525 L HA 0.199 4.539 4.340 0.000 0.000 0.211 525 L C 0.770 177.611 176.870 -0.048 0.000 1.075 525 L CA 0.360 55.166 54.840 -0.057 0.000 0.830 525 L CB -0.043 41.989 42.059 -0.044 0.000 0.996 525 L HN 0.497 nan 8.230 nan 0.000 0.467 526 Q N -0.617 119.154 119.800 -0.048 0.000 2.377 526 Q HA 0.729 5.069 4.340 0.000 0.000 0.279 526 Q C -0.618 175.357 176.000 -0.041 0.000 1.049 526 Q CA -0.643 55.137 55.803 -0.039 0.000 0.825 526 Q CB 2.634 31.354 28.738 -0.030 0.000 1.401 526 Q HN -0.000 nan 8.270 nan 0.000 0.404 527 G N 0.287 109.066 108.800 -0.035 0.000 2.361 527 G HA2 0.044 4.004 3.960 0.000 0.000 0.331 527 G HA3 0.044 4.004 3.960 0.000 0.000 0.331 527 G C -0.239 174.642 174.900 -0.031 0.000 1.324 527 G CA -0.529 44.550 45.100 -0.034 0.000 0.984 527 G HN 0.592 nan 8.290 nan 0.000 0.586 528 L N 0.476 121.681 121.223 -0.030 0.000 1.958 528 L HA 0.034 4.374 4.340 0.000 0.000 0.238 528 L C -0.709 176.145 176.870 -0.026 0.000 1.092 528 L CA 1.818 56.642 54.840 -0.026 0.000 0.826 528 L CB -1.404 40.639 42.059 -0.026 0.000 0.909 528 L HN 0.534 nan 8.230 nan 0.000 0.436 529 P HA 0.241 nan 4.420 nan 0.000 0.296 529 P C -1.000 176.282 177.300 -0.030 0.000 1.306 529 P CA -0.531 62.553 63.100 -0.026 0.000 0.818 529 P CB 1.017 32.701 31.700 -0.026 0.000 0.969 530 R N 2.104 122.590 120.500 -0.023 0.000 2.694 530 R HA 0.286 4.626 4.340 0.000 0.000 0.268 530 R C 0.331 176.620 176.300 -0.019 0.000 1.061 530 R CA 0.194 56.277 56.100 -0.029 0.000 1.133 530 R CB 0.360 30.645 30.300 -0.025 0.000 1.020 530 R HN 0.574 nan 8.270 nan 0.000 0.475 531 E N 0.595 120.770 120.200 -0.041 0.000 2.367 531 E HA 0.285 4.635 4.350 0.000 0.000 0.273 531 E C -1.193 175.393 176.600 -0.023 0.000 0.903 531 E CA -0.781 55.583 56.400 -0.060 0.000 0.764 531 E CB 2.054 31.664 29.700 -0.151 0.000 1.252 531 E HN 0.505 nan 8.360 nan 0.000 0.446 532 Y N -1.485 118.768 120.300 -0.078 0.000 2.534 532 Y HA 0.748 5.298 4.550 -0.000 0.000 0.329 532 Y C -0.668 175.197 175.900 -0.058 0.000 1.154 532 Y CA -1.240 56.814 58.100 -0.077 0.000 1.192 532 Y CB 0.681 39.118 38.460 -0.039 0.000 1.275 532 Y HN 0.133 nan 8.280 nan 0.000 0.491 533 V N 2.447 122.360 119.914 -0.002 0.000 2.483 533 V HA 0.354 4.474 4.120 0.000 0.000 0.295 533 V C -0.675 175.500 176.094 0.136 0.000 1.035 533 V CA -0.909 61.363 62.300 -0.047 0.000 0.896 533 V CB 1.346 33.133 31.823 -0.060 0.000 0.986 533 V HN 0.913 nan 8.190 nan 0.000 0.447 534 N N 3.216 121.988 118.700 0.120 0.000 2.581 534 N HA 0.427 5.167 4.740 0.000 0.000 0.279 534 N C -0.044 175.593 175.510 0.212 0.000 1.124 534 N CA 0.422 53.591 53.050 0.199 0.000 0.833 534 N CB 1.676 40.323 38.487 0.267 0.000 1.338 534 N HN 1.122 nan 8.380 nan 0.000 0.533 535 A N 3.647 126.587 122.820 0.199 0.000 2.876 535 A HA -0.183 4.137 4.320 0.000 0.000 0.287 535 A C 0.793 178.514 177.584 0.229 0.000 1.455 535 A CA 1.035 53.197 52.037 0.208 0.000 0.744 535 A CB -1.355 17.772 19.000 0.212 0.000 1.041 535 A HN 0.944 nan 8.150 nan 0.000 0.500 536 R N -1.933 118.682 120.500 0.192 0.000 3.878 536 R HA -0.172 4.168 4.340 0.000 0.000 0.330 536 R C -0.367 175.945 176.300 0.021 0.000 1.186 536 R CA 1.613 57.809 56.100 0.159 0.000 0.885 536 R CB -2.430 27.845 30.300 -0.042 0.000 1.377 536 R HN 0.981 nan 8.270 nan 0.000 0.523 537 H N -0.594 118.548 119.070 0.120 0.000 2.505 537 H HA 0.244 4.800 4.556 0.000 0.000 0.338 537 H C 0.164 175.437 175.328 -0.092 0.000 1.057 537 H CA -0.577 55.487 56.048 0.026 0.000 1.202 537 H CB 1.525 31.283 29.762 -0.007 0.000 1.466 537 H HN 0.069 nan 8.280 nan 0.000 0.499 538 c N 5.651 124.237 118.600 -0.022 0.000 2.566 538 c HA 0.352 4.922 4.570 0.000 0.000 0.393 538 c C 0.641 174.609 174.090 -0.203 0.000 1.309 538 c CA -0.508 55.722 56.329 -0.164 0.000 1.801 538 c CB -1.416 41.012 42.510 -0.137 0.000 2.493 538 c HN 0.472 nan 8.230 nan 0.000 0.575 539 L N 6.081 127.047 121.223 -0.428 0.000 2.422 539 L HA 0.519 4.859 4.340 0.000 0.000 0.264 539 L C -2.320 174.326 176.870 -0.373 0.000 0.984 539 L CA -1.837 52.725 54.840 -0.463 0.000 0.819 539 L CB 2.498 44.135 42.059 -0.703 0.000 1.330 539 L HN 0.356 nan 8.230 nan 0.000 0.410 540 P HA 0.114 nan 4.420 nan 0.000 0.276 540 P C -0.422 176.991 177.300 0.188 0.000 1.230 540 P CA -0.408 62.705 63.100 0.022 0.000 0.776 540 P CB 0.898 32.603 31.700 0.008 0.000 0.888 541 c N 2.640 121.344 118.600 0.173 0.000 2.705 541 c HA 0.088 4.658 4.570 0.000 0.000 0.365 541 c C 1.402 175.576 174.090 0.140 0.000 1.353 541 c CA 0.226 56.669 56.329 0.190 0.000 2.339 541 c CB -1.336 41.243 42.510 0.114 0.000 2.576 541 c HN 0.632 nan 8.230 nan 0.000 0.716 542 H N 1.576 120.688 119.070 0.070 0.000 2.764 542 H HA 0.160 4.716 4.556 -0.000 0.000 0.341 542 H C -1.573 173.781 175.328 0.044 0.000 1.072 542 H CA -0.691 55.390 56.048 0.056 0.000 1.444 542 H CB 0.740 30.537 29.762 0.058 0.000 1.458 542 H HN 0.350 nan 8.280 nan 0.000 0.572 543 P HA -0.193 nan 4.420 nan 0.000 0.218 543 P C 0.628 177.978 177.300 0.083 0.000 1.146 543 P CA 1.252 64.293 63.100 -0.098 0.000 0.820 543 P CB 0.325 31.903 31.700 -0.203 0.000 0.778 544 E N -1.747 118.632 120.200 0.297 0.000 2.489 544 E HA 0.018 4.368 4.350 0.000 0.000 0.193 544 E C 0.312 177.031 176.600 0.197 0.000 1.057 544 E CA 0.056 56.627 56.400 0.285 0.000 0.866 544 E CB -0.604 29.285 29.700 0.315 0.000 0.916 544 E HN 0.232 nan 8.360 nan 0.000 0.500 545 c N 1.562 120.265 118.600 0.172 0.000 2.644 545 c HA 0.144 4.714 4.570 0.000 0.000 0.417 545 c C 0.903 175.027 174.090 0.056 0.000 1.304 545 c CA -0.493 55.894 56.329 0.097 0.000 2.035 545 c CB 0.014 42.573 42.510 0.081 0.000 2.673 545 c HN 0.262 nan 8.230 nan 0.000 0.602 546 Q N 4.030 123.847 119.800 0.028 0.000 2.322 546 Q HA 0.339 4.679 4.340 0.000 0.000 0.256 546 Q C -2.436 173.558 176.000 -0.010 0.000 0.960 546 Q CA -1.153 54.650 55.803 -0.000 0.000 0.934 546 Q CB 0.671 29.402 28.738 -0.012 0.000 1.200 546 Q HN 0.433 nan 8.270 nan 0.000 0.435 547 P HA -0.063 nan 4.420 nan 0.000 0.264 547 P C -1.087 176.196 177.300 -0.027 0.000 1.183 547 P CA 0.350 63.435 63.100 -0.024 0.000 0.763 547 P CB 0.571 32.257 31.700 -0.023 0.000 0.807 548 Q N 2.162 121.941 119.800 -0.034 0.000 2.309 548 Q HA 0.272 4.612 4.340 0.000 0.000 0.264 548 Q C -0.191 175.791 176.000 -0.030 0.000 1.008 548 Q CA -0.721 55.063 55.803 -0.032 0.000 0.853 548 Q CB 1.072 29.787 28.738 -0.039 0.000 1.314 548 Q HN 0.311 nan 8.270 nan 0.000 0.448 549 N N 0.982 119.669 118.700 -0.022 0.000 2.406 549 N HA 0.055 4.795 4.740 0.000 0.000 0.274 549 N C 0.930 176.428 175.510 -0.019 0.000 1.249 549 N CA 0.981 54.020 53.050 -0.019 0.000 0.951 549 N CB 0.259 38.738 38.487 -0.014 0.000 1.241 549 N HN 0.907 nan 8.380 nan 0.000 0.485 550 G N 1.155 109.942 108.800 -0.022 0.000 2.200 550 G HA2 -0.285 3.675 3.960 0.000 0.000 0.267 550 G HA3 -0.285 3.675 3.960 0.000 0.000 0.267 550 G C 0.354 175.239 174.900 -0.024 0.000 0.993 550 G CA 1.057 46.144 45.100 -0.021 0.000 0.701 550 G HN 0.672 nan 8.290 nan 0.000 0.524 551 S N -1.779 113.902 115.700 -0.032 0.000 2.677 551 S HA 0.702 5.172 4.470 0.000 0.000 0.304 551 S C 0.500 175.058 174.600 -0.071 0.000 1.108 551 S CA -0.055 58.123 58.200 -0.037 0.000 0.944 551 S CB 1.732 64.918 63.200 -0.024 0.000 1.127 551 S HN 0.994 nan 8.310 nan 0.000 0.511 552 V N 3.375 123.228 119.914 -0.102 0.000 2.673 552 V HA 0.145 4.265 4.120 0.000 0.000 0.303 552 V C 1.318 177.273 176.094 -0.232 0.000 1.046 552 V CA 0.362 62.544 62.300 -0.198 0.000 1.126 552 V CB 0.507 32.140 31.823 -0.315 0.000 0.934 552 V HN 1.044 nan 8.190 nan 0.000 0.487 553 T N 2.352 116.777 114.554 -0.214 0.000 2.983 553 T HA 0.090 4.440 4.350 0.000 0.000 0.250 553 T C 0.508 175.085 174.700 -0.205 0.000 1.037 553 T CA 1.058 63.065 62.100 -0.155 0.000 1.142 553 T CB 0.149 68.967 68.868 -0.082 0.000 0.876 553 T HN 0.986 nan 8.240 nan 0.000 0.455 554 c N -0.884 117.539 118.600 -0.294 0.000 3.323 554 c HA 0.772 5.342 4.570 0.000 0.000 0.324 554 c C -0.109 173.671 174.090 -0.517 0.000 1.428 554 c CA -1.177 54.970 56.329 -0.302 0.000 1.368 554 c CB -0.077 42.392 42.510 -0.069 0.000 1.731 554 c HN 0.272 nan 8.230 nan 0.000 0.455 555 F N 0.943 120.829 119.950 -0.107 0.000 2.752 555 F HA 0.591 5.118 4.527 -0.000 0.000 0.310 555 F C 1.349 176.897 175.800 -0.420 0.000 1.097 555 F CA 0.707 58.618 58.000 -0.149 0.000 1.238 555 F CB 0.795 39.734 39.000 -0.102 0.000 1.061 555 F HN 1.149 nan 8.300 nan 0.000 0.591 556 G N -0.351 108.163 108.800 -0.477 0.000 2.663 556 G HA2 0.361 4.321 3.960 0.000 0.000 0.299 556 G HA3 0.361 4.321 3.960 0.000 0.000 0.299 556 G C -2.439 172.050 174.900 -0.686 0.000 1.372 556 G CA -0.732 43.789 45.100 -0.966 0.000 0.781 556 G HN -0.328 nan 8.290 nan 0.000 0.491 557 P HA 0.129 nan 4.420 nan 0.000 0.230 557 P C 0.157 177.520 177.300 0.106 0.000 1.168 557 P CA 0.546 63.681 63.100 0.059 0.000 0.793 557 P CB 0.468 32.284 31.700 0.193 0.000 0.851 558 E N 0.043 120.264 120.200 0.034 0.000 2.366 558 E HA 0.234 4.584 4.350 0.000 0.000 0.266 558 E C 1.177 177.786 176.600 0.015 0.000 1.051 558 E CA -0.129 56.308 56.400 0.061 0.000 0.884 558 E CB 0.815 30.537 29.700 0.037 0.000 1.006 558 E HN -0.010 nan 8.360 nan 0.000 0.417 559 A N 2.806 125.565 122.820 -0.102 0.000 2.225 559 A HA -0.179 4.141 4.320 0.000 0.000 0.215 559 A C 1.061 178.621 177.584 -0.040 0.000 1.164 559 A CA 1.490 53.369 52.037 -0.263 0.000 0.710 559 A CB -0.417 18.174 19.000 -0.681 0.000 0.780 559 A HN 0.539 nan 8.150 nan 0.000 0.473 560 D N -1.550 118.811 120.400 -0.064 0.000 2.339 560 D HA 0.028 4.668 4.640 0.000 0.000 0.217 560 D C 1.130 177.362 176.300 -0.112 0.000 1.050 560 D CA 0.346 54.216 54.000 -0.217 0.000 0.856 560 D CB -0.128 40.374 40.800 -0.497 0.000 0.922 560 D HN 0.495 nan 8.370 nan 0.000 0.518 561 Q N -0.273 119.504 119.800 -0.038 0.000 2.172 561 Q HA 0.253 4.593 4.340 0.000 0.000 0.217 561 Q C -0.419 175.646 176.000 0.109 0.000 0.832 561 Q CA -0.341 55.482 55.803 0.033 0.000 1.010 561 Q CB 0.704 29.443 28.738 0.002 0.000 1.133 561 Q HN 0.248 nan 8.270 nan 0.000 0.489 562 c N -0.339 118.300 118.600 0.065 0.000 2.534 562 c HA 0.135 4.705 4.570 0.000 0.000 0.385 562 c C 2.161 176.310 174.090 0.099 0.000 1.264 562 c CA -0.638 55.731 56.329 0.067 0.000 2.342 562 c CB 0.873 43.415 42.510 0.053 0.000 2.564 562 c HN 0.270 nan 8.230 nan 0.000 0.603 563 V N 1.729 121.685 119.914 0.070 0.000 2.323 563 V HA 0.069 4.189 4.120 0.000 0.000 0.244 563 V C 1.054 177.182 176.094 0.056 0.000 1.041 563 V CA 2.198 64.552 62.300 0.090 0.000 1.025 563 V CB -0.516 31.328 31.823 0.035 0.000 0.656 563 V HN 1.023 nan 8.190 nan 0.000 0.451 564 A N -2.061 120.779 122.820 0.034 0.000 2.556 564 A HA 0.591 4.911 4.320 0.000 0.000 0.294 564 A C -0.989 176.613 177.584 0.031 0.000 1.091 564 A CA -0.461 51.593 52.037 0.028 0.000 0.704 564 A CB 1.271 20.281 19.000 0.016 0.000 1.300 564 A HN 0.208 nan 8.150 nan 0.000 0.406 565 c N 0.767 119.387 118.600 0.035 0.000 2.401 565 c HA 0.570 5.140 4.570 0.000 0.000 0.365 565 c C 1.971 176.072 174.090 0.018 0.000 1.250 565 c CA 0.394 56.752 56.329 0.048 0.000 2.131 565 c CB 0.732 43.284 42.510 0.069 0.000 2.445 565 c HN 1.038 nan 8.230 nan 0.000 0.550 566 A N 1.248 124.089 122.820 0.034 0.000 2.016 566 A HA 0.013 4.333 4.320 0.000 0.000 0.217 566 A C 1.405 178.818 177.584 -0.284 0.000 1.162 566 A CA 1.346 53.341 52.037 -0.070 0.000 0.662 566 A CB -0.233 18.783 19.000 0.027 0.000 0.812 566 A HN 0.992 nan 8.150 nan 0.000 0.450 567 H N -3.155 115.844 119.070 -0.119 0.000 5.278 567 H HA 0.318 4.874 4.556 0.000 0.000 0.119 567 H C -0.489 174.689 175.328 -0.250 0.000 1.321 567 H CA -0.388 55.476 56.048 -0.306 0.000 0.304 567 H CB -0.108 29.402 29.762 -0.420 0.000 1.670 567 H HN 0.344 nan 8.280 nan 0.000 0.192 568 Y N 0.891 121.308 120.300 0.195 0.000 2.374 568 Y HA 0.328 4.878 4.550 0.000 0.000 0.322 568 Y C 0.446 176.394 175.900 0.080 0.000 1.275 568 Y CA -0.680 57.481 58.100 0.101 0.000 1.307 568 Y CB 1.193 39.700 38.460 0.078 0.000 1.282 568 Y HN 0.069 nan 8.280 nan 0.000 0.509 569 K N 1.286 121.820 120.400 0.224 0.000 2.244 569 K HA 0.245 4.565 4.320 0.000 0.000 0.260 569 K C -1.798 174.867 176.600 0.108 0.000 0.951 569 K CA -0.640 55.728 56.287 0.135 0.000 0.826 569 K CB 1.114 33.665 32.500 0.085 0.000 1.108 569 K HN 0.662 nan 8.250 nan 0.000 0.433 570 D N 5.939 126.408 120.400 0.115 0.000 2.432 570 D HA 0.295 4.935 4.640 0.000 0.000 0.265 570 D C -2.458 173.913 176.300 0.117 0.000 1.160 570 D CA -2.162 51.896 54.000 0.097 0.000 0.911 570 D CB 1.033 41.894 40.800 0.101 0.000 1.052 570 D HN 0.239 nan 8.370 nan 0.000 0.508 571 P HA -0.060 nan 4.420 nan 0.000 0.255 571 P C -2.044 175.239 177.300 -0.029 0.000 1.132 571 P CA -0.435 62.657 63.100 -0.013 0.000 0.766 571 P CB 0.140 31.829 31.700 -0.019 0.000 0.715 572 P HA 0.209 nan 4.420 nan 0.000 0.263 572 P C -0.434 176.650 177.300 -0.358 0.000 1.448 572 P CA -0.069 62.846 63.100 -0.308 0.000 0.983 572 P CB 0.260 31.720 31.700 -0.400 0.000 1.481 573 F N 0.010 119.931 119.950 -0.048 0.000 2.379 573 F HA 0.278 4.805 4.527 0.000 0.000 0.332 573 F C 1.012 176.785 175.800 -0.046 0.000 1.096 573 F CA -0.791 57.167 58.000 -0.070 0.000 1.105 573 F CB 0.683 39.631 39.000 -0.087 0.000 1.189 573 F HN -0.171 nan 8.300 nan 0.000 0.515 574 c N 3.725 122.407 118.600 0.136 0.000 2.373 574 c HA 0.593 5.163 4.570 0.000 0.000 0.354 574 c C 0.193 174.339 174.090 0.093 0.000 1.249 574 c CA -0.885 55.505 56.329 0.101 0.000 1.784 574 c CB -0.921 41.636 42.510 0.078 0.000 2.408 574 c HN 0.586 nan 8.230 nan 0.000 0.542 575 V N 2.028 122.010 119.914 0.114 0.000 2.919 575 V HA 0.889 5.009 4.120 0.000 0.000 0.316 575 V C 0.555 176.681 176.094 0.052 0.000 1.077 575 V CA -0.265 62.082 62.300 0.078 0.000 0.977 575 V CB 1.290 33.160 31.823 0.079 0.000 1.039 575 V HN 0.800 nan 8.190 nan 0.000 0.441 576 A N 2.471 125.272 122.820 -0.032 0.000 1.872 576 A HA 0.228 4.548 4.320 0.000 0.000 0.214 576 A C 1.182 178.746 177.584 -0.034 0.000 1.187 576 A CA 1.416 53.328 52.037 -0.209 0.000 0.614 576 A CB -0.187 18.684 19.000 -0.215 0.000 0.826 576 A HN 1.061 nan 8.150 nan 0.000 0.442 577 R N -2.231 118.343 120.500 0.123 0.000 2.771 577 R HA 0.575 4.915 4.340 0.000 0.000 0.274 577 R C -1.264 175.141 176.300 0.174 0.000 0.987 577 R CA -0.674 55.603 56.100 0.294 0.000 0.908 577 R CB 0.466 30.869 30.300 0.171 0.000 1.213 577 R HN 0.107 nan 8.270 nan 0.000 0.468 578 c N 2.388 121.044 118.600 0.092 0.000 2.676 578 c HA 0.251 4.821 4.570 0.000 0.000 0.416 578 c C -1.908 172.169 174.090 -0.022 0.000 1.299 578 c CA -0.573 55.752 56.329 -0.007 0.000 2.048 578 c CB -0.220 42.228 42.510 -0.103 0.000 2.713 578 c HN 0.589 nan 8.230 nan 0.000 0.624 579 P HA 0.072 nan 4.420 nan 0.000 0.262 579 P C -0.621 176.587 177.300 -0.153 0.000 1.182 579 P CA 0.689 63.721 63.100 -0.113 0.000 0.761 579 P CB 0.296 31.929 31.700 -0.112 0.000 0.795 580 S N 2.644 118.173 115.700 -0.285 0.000 2.259 580 S HA 0.487 4.957 4.470 0.000 0.000 0.181 580 S C 0.783 174.695 174.600 -1.148 0.000 1.589 580 S CA -0.006 57.901 58.200 -0.489 0.000 1.234 580 S CB 0.463 63.572 63.200 -0.152 0.000 1.119 580 S HN 0.810 nan 8.310 nan 0.000 0.458 581 G N 1.413 109.076 108.800 -1.894 0.000 2.176 581 G HA2 -0.239 3.721 3.960 0.000 0.000 0.252 581 G HA3 -0.239 3.721 3.960 0.000 0.000 0.252 581 G C 0.179 174.683 174.900 -0.661 0.000 1.024 581 G CA 0.162 44.240 45.100 -1.703 0.000 0.755 581 G HN 1.297 nan 8.290 nan 0.000 0.507 582 V N -2.187 117.435 119.914 -0.487 0.000 2.732 582 V HA 0.812 4.932 4.120 0.000 0.000 0.297 582 V C 0.335 176.315 176.094 -0.190 0.000 1.060 582 V CA -0.441 61.698 62.300 -0.268 0.000 1.038 582 V CB 1.648 33.341 31.823 -0.216 0.000 1.003 582 V HN 0.627 nan 8.190 nan 0.000 0.481 583 K N 3.776 124.102 120.400 -0.123 0.000 2.450 583 K HA 0.541 4.861 4.320 0.000 0.000 0.257 583 K C -2.289 174.247 176.600 -0.106 0.000 0.953 583 K CA -1.685 54.562 56.287 -0.068 0.000 0.844 583 K CB 1.904 34.404 32.500 -0.001 0.000 1.103 583 K HN 0.458 nan 8.250 nan 0.000 0.429 584 P HA -0.150 nan 4.420 nan 0.000 0.223 584 P C -0.498 176.642 177.300 -0.267 0.000 1.144 584 P CA 1.089 64.040 63.100 -0.248 0.000 0.783 584 P CB 0.288 31.776 31.700 -0.354 0.000 0.771 585 D N -2.160 118.103 120.400 -0.228 0.000 2.725 585 D HA 0.156 4.796 4.640 0.000 0.000 0.292 585 D C -1.152 175.197 176.300 0.082 0.000 1.288 585 D CA -0.706 53.236 54.000 -0.097 0.000 0.784 585 D CB 1.407 42.112 40.800 -0.158 0.000 1.308 585 D HN -0.247 nan 8.370 nan 0.000 0.429 586 L N 0.896 122.183 121.223 0.107 0.000 2.467 586 L HA 0.231 4.571 4.340 0.000 0.000 0.270 586 L C 1.207 178.195 176.870 0.197 0.000 1.205 586 L CA 1.201 56.114 54.840 0.121 0.000 0.828 586 L CB 0.625 42.727 42.059 0.070 0.000 1.101 586 L HN 0.667 nan 8.230 nan 0.000 0.479 587 S N 0.191 115.961 115.700 0.117 0.000 2.769 587 S HA -0.248 4.222 4.470 0.000 0.000 0.264 587 S C -0.216 174.375 174.600 -0.015 0.000 1.288 587 S CA 1.238 59.463 58.200 0.041 0.000 1.378 587 S CB -1.706 61.490 63.200 -0.007 0.000 1.702 587 S HN 0.568 nan 8.310 nan 0.000 0.656 588 Y N 2.040 122.345 120.300 0.008 0.000 2.313 588 Y HA 0.536 5.086 4.550 0.000 0.000 0.332 588 Y C 0.894 176.804 175.900 0.017 0.000 1.071 588 Y CA -0.793 57.314 58.100 0.010 0.000 1.169 588 Y CB 0.491 38.952 38.460 0.003 0.000 1.192 588 Y HN 0.335 nan 8.280 nan 0.000 0.487 589 M N 4.629 124.317 119.600 0.147 0.000 2.238 589 M HA 0.415 4.895 4.480 0.000 0.000 0.347 589 M C -2.511 173.869 176.300 0.133 0.000 1.173 589 M CA -1.811 53.563 55.300 0.123 0.000 1.147 589 M CB 0.163 32.823 32.600 0.100 0.000 1.547 589 M HN 0.306 nan 8.290 nan 0.000 0.455 590 P HA 0.112 nan 4.420 nan 0.000 0.268 590 P C -0.970 176.367 177.300 0.062 0.000 1.205 590 P CA 0.035 63.164 63.100 0.048 0.000 0.771 590 P CB 0.675 32.418 31.700 0.072 0.000 0.858 591 I N 2.738 123.262 120.570 -0.077 0.000 2.307 591 I HA 0.372 4.542 4.170 0.000 0.000 0.289 591 I C -1.212 174.830 176.117 -0.126 0.000 1.021 591 I CA -0.952 60.337 61.300 -0.019 0.000 1.224 591 I CB 0.287 38.279 38.000 -0.012 0.000 1.376 591 I HN 0.211 nan 8.210 nan 0.000 0.470 592 W N 7.852 129.173 121.300 0.035 0.000 2.429 592 W HA 0.585 5.245 4.660 -0.000 0.000 0.314 592 W C -0.381 176.169 176.519 0.052 0.000 1.062 592 W CA -0.492 56.881 57.345 0.046 0.000 1.211 592 W CB 1.521 31.018 29.460 0.062 0.000 1.305 592 W HN 0.325 nan 8.180 nan 0.000 0.476 593 K N 2.397 122.942 120.400 0.242 0.000 2.466 593 K HA 0.709 5.029 4.320 0.000 0.000 0.260 593 K C -1.312 175.391 176.600 0.171 0.000 1.011 593 K CA -1.136 55.218 56.287 0.112 0.000 0.871 593 K CB 2.595 35.072 32.500 -0.038 0.000 1.404 593 K HN 0.339 nan 8.250 nan 0.000 0.450 594 F N -1.005 118.948 119.950 0.006 0.000 2.613 594 F HA 0.627 5.154 4.527 0.000 0.000 0.310 594 F C -2.952 172.783 175.800 -0.108 0.000 1.085 594 F CA -2.727 55.243 58.000 -0.050 0.000 0.945 594 F CB 1.215 40.204 39.000 -0.017 0.000 1.298 594 F HN 0.247 nan 8.300 nan 0.000 0.455 595 P HA 0.209 nan 4.420 nan 0.000 0.276 595 P C -1.018 176.309 177.300 0.045 0.000 1.252 595 P CA -0.017 62.983 63.100 -0.167 0.000 0.802 595 P CB 1.316 32.757 31.700 -0.432 0.000 1.035 596 D N 0.411 120.821 120.400 0.016 0.000 2.466 596 D HA 0.101 4.742 4.640 0.000 0.000 0.262 596 D C 1.285 177.638 176.300 0.089 0.000 1.177 596 D CA -0.280 53.764 54.000 0.074 0.000 1.035 596 D CB 0.634 41.458 40.800 0.041 0.000 1.105 596 D HN 0.291 nan 8.370 nan 0.000 0.551 597 E N 0.084 120.334 120.200 0.083 0.000 2.204 597 E HA -0.135 4.215 4.350 0.000 0.000 0.194 597 E C 1.481 178.126 176.600 0.073 0.000 0.989 597 E CA 1.156 57.601 56.400 0.074 0.000 0.824 597 E CB 0.155 29.890 29.700 0.058 0.000 0.756 597 E HN 0.418 nan 8.360 nan 0.000 0.477 598 E N -1.285 118.956 120.200 0.068 0.000 2.042 598 E HA 0.096 4.446 4.350 0.000 0.000 0.189 598 E C 1.292 177.949 176.600 0.095 0.000 0.974 598 E CA 0.889 57.328 56.400 0.065 0.000 0.806 598 E CB 0.203 29.931 29.700 0.048 0.000 0.769 598 E HN 0.297 nan 8.360 nan 0.000 0.451 599 G N -0.085 108.782 108.800 0.112 0.000 2.559 599 G HA2 -0.056 3.904 3.960 0.000 0.000 0.202 599 G HA3 -0.056 3.904 3.960 0.000 0.000 0.202 599 G C -0.003 174.991 174.900 0.156 0.000 0.992 599 G CA -0.239 44.979 45.100 0.197 0.000 0.764 599 G HN 0.415 nan 8.290 nan 0.000 0.525 600 A N 0.339 123.198 122.820 0.064 0.000 2.362 600 A HA 0.570 4.890 4.320 0.000 0.000 0.276 600 A C 0.913 178.460 177.584 -0.063 0.000 1.153 600 A CA 0.196 52.244 52.037 0.018 0.000 0.813 600 A CB 0.091 19.091 19.000 -0.001 0.000 1.081 600 A HN 0.926 nan 8.150 nan 0.000 0.507 601 c N 3.195 121.752 118.600 -0.071 0.000 2.648 601 c HA 0.333 4.903 4.570 0.000 0.000 0.419 601 c C 0.405 174.341 174.090 -0.257 0.000 1.352 601 c CA -0.394 55.833 56.329 -0.170 0.000 1.816 601 c CB -0.732 41.721 42.510 -0.095 0.000 2.598 601 c HN 0.780 nan 8.230 nan 0.000 0.598 602 Q N 3.373 122.858 119.800 -0.524 0.000 2.342 602 Q HA 0.430 4.770 4.340 0.000 0.000 0.267 602 Q C -2.476 173.155 176.000 -0.614 0.000 1.038 602 Q CA -1.975 53.446 55.803 -0.637 0.000 0.832 602 Q CB 1.719 29.900 28.738 -0.929 0.000 1.323 602 Q HN 0.429 nan 8.270 nan 0.000 0.448 603 P HA 0.155 nan 4.420 nan 0.000 0.274 603 P C -0.361 176.993 177.300 0.090 0.000 1.231 603 P CA -0.283 62.782 63.100 -0.058 0.000 0.790 603 P CB 0.631 32.329 31.700 -0.004 0.000 0.951 604 c N 3.619 122.340 118.600 0.201 0.000 2.580 604 c HA 0.367 4.937 4.570 0.000 0.000 0.371 604 c C -0.567 173.626 174.090 0.171 0.000 1.308 604 c CA -0.390 56.105 56.329 0.275 0.000 2.428 604 c CB -0.455 42.202 42.510 0.245 0.000 2.529 604 c HN 0.638 nan 8.230 nan 0.000 0.657 605 P HA 0.315 nan 4.420 nan 0.000 0.335 605 P C -0.527 176.808 177.300 0.058 0.000 1.388 605 P CA -0.310 62.839 63.100 0.081 0.000 0.859 605 P CB -0.036 31.695 31.700 0.051 0.000 2.107 606 I N 0.503 121.097 120.570 0.041 0.000 2.845 606 I HA -0.090 4.080 4.170 0.000 0.000 0.296 606 I C 1.066 177.200 176.117 0.029 0.000 1.216 606 I CA 0.032 61.353 61.300 0.037 0.000 1.438 606 I CB -0.851 37.172 38.000 0.038 0.000 1.342 606 I HN 0.259 nan 8.210 nan 0.000 0.577 607 N N 5.551 124.264 118.700 0.021 0.000 2.454 607 N HA 0.098 4.838 4.740 0.000 0.000 0.260 607 N C -0.186 175.309 175.510 -0.026 0.000 1.218 607 N CA 0.238 53.287 53.050 -0.000 0.000 0.904 607 N CB 0.395 38.891 38.487 0.015 0.000 1.065 607 N HN 0.862 nan 8.380 nan 0.000 0.462 608 c N 2.096 120.651 118.600 -0.075 0.000 0.168 608 c HA -0.278 4.292 4.570 0.000 0.000 0.017 608 c C 1.793 175.811 174.090 -0.120 0.000 0.171 608 c CA 1.012 57.276 56.329 -0.109 0.000 0.499 608 c CB -1.708 40.752 42.510 -0.084 0.000 3.212 608 c HN 1.145 nan 8.230 nan 0.000 1.118 609 T N -0.332 114.114 114.554 -0.180 0.000 13.132 609 T HA -0.324 4.026 4.350 0.000 0.000 0.419 609 T C 0.180 174.616 174.700 -0.440 0.000 1.442 609 T CA 1.910 63.816 62.100 -0.323 0.000 2.366 609 T CB -1.170 67.469 68.868 -0.381 0.000 2.813 609 T HN 1.111 nan 8.240 nan 0.000 0.650 610 H N 1.463 120.473 119.070 -0.100 0.000 2.638 610 H HA 0.608 5.164 4.556 0.000 0.000 0.242 610 H C 1.302 176.530 175.328 -0.167 0.000 1.610 610 H CA 0.345 56.322 56.048 -0.118 0.000 1.275 610 H CB 0.790 30.496 29.762 -0.093 0.000 1.583 610 H HN 0.391 nan 8.280 nan 0.000 0.556 611 S N 1.708 117.298 115.700 -0.183 0.000 2.488 611 S HA -0.160 4.310 4.470 0.000 0.000 0.246 611 S C 0.840 175.202 174.600 -0.396 0.000 0.992 611 S CA 0.756 58.730 58.200 -0.376 0.000 0.963 611 S CB -0.746 62.119 63.200 -0.559 0.000 0.754 611 S HN 0.885 nan 8.310 nan 0.000 0.519 612 c N -0.124 118.360 118.600 -0.193 0.000 0.170 612 c HA 0.013 4.583 4.570 0.000 0.000 0.018 612 c C -0.727 173.341 174.090 -0.037 0.000 0.171 612 c CA -0.344 55.929 56.329 -0.093 0.000 0.505 612 c CB -2.003 40.502 42.510 -0.008 0.000 3.211 612 c HN 1.306 nan 8.230 nan 0.000 1.118 613 V N 4.735 124.642 119.914 -0.011 0.000 2.839 613 V HA 0.582 4.702 4.120 0.000 0.000 0.284 613 V C 0.496 176.567 176.094 -0.037 0.000 1.397 613 V CA 0.478 62.828 62.300 0.082 0.000 0.938 613 V CB 0.966 32.890 31.823 0.168 0.000 1.112 613 V HN 1.812 nan 8.190 nan 0.000 0.443 614 D N 1.916 122.260 120.400 -0.094 0.000 4.472 614 D HA -0.311 4.329 4.640 0.000 0.000 0.293 614 D C 0.488 176.596 176.300 -0.321 0.000 0.500 614 D CA 2.866 56.723 54.000 -0.238 0.000 1.076 614 D CB -0.241 40.524 40.800 -0.059 0.000 0.581 614 D HN 0.699 nan 8.370 nan 0.000 0.326 615 L N 1.709 122.831 121.223 -0.168 0.000 3.073 615 L HA 0.183 4.523 4.340 0.000 0.000 0.242 615 L C -0.857 175.952 176.870 -0.101 0.000 1.317 615 L CA -0.384 54.367 54.840 -0.148 0.000 1.081 615 L CB -0.093 41.904 42.059 -0.102 0.000 1.456 615 L HN 0.279 nan 8.230 nan 0.000 0.525 616 D N 0.790 121.127 120.400 -0.105 0.000 10.741 616 D HA -0.150 4.490 4.640 0.000 0.000 0.335 616 D C -0.819 175.459 176.300 -0.036 0.000 3.086 616 D CA 1.305 55.266 54.000 -0.066 0.000 2.694 616 D CB 0.096 40.865 40.800 -0.051 0.000 1.174 616 D HN 0.497 nan 8.370 nan 0.000 0.923 617 D N -0.122 120.243 120.400 -0.058 0.000 2.661 617 D HA 0.544 5.184 4.640 0.000 0.000 0.228 617 D C -0.140 176.097 176.300 -0.106 0.000 1.183 617 D CA -0.835 53.127 54.000 -0.064 0.000 0.844 617 D CB 1.215 41.982 40.800 -0.055 0.000 1.555 617 D HN 0.256 nan 8.370 nan 0.000 0.453 618 K N -0.472 119.873 120.400 -0.091 0.000 2.761 618 K HA 0.606 4.926 4.320 0.000 0.000 0.286 618 K C 0.514 177.046 176.600 -0.113 0.000 1.019 618 K CA -0.526 55.691 56.287 -0.117 0.000 1.070 618 K CB 0.109 32.551 32.500 -0.095 0.000 1.387 618 K HN 0.748 nan 8.250 nan 0.000 0.509 619 G N 0.561 109.303 108.800 -0.096 0.000 2.401 619 G HA2 -0.199 3.761 3.960 0.000 0.000 0.283 619 G HA3 -0.199 3.761 3.960 0.000 0.000 0.283 619 G C -0.149 174.708 174.900 -0.073 0.000 1.117 619 G CA -0.002 45.058 45.100 -0.067 0.000 1.051 619 G HN 0.650 nan 8.290 nan 0.000 0.510 620 c N 0.000 118.549 118.600 -0.085 0.000 2.653 620 c HA 0.000 4.570 4.570 0.000 0.000 0.325 620 c CA 0.000 56.286 56.329 -0.071 0.000 1.963 620 c CB 0.000 42.435 42.510 -0.125 0.000 2.134 620 c HN 0.000 nan 8.230 nan 0.000 0.568