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 1n8z_1_C DATA FIRST_RESID 1 DATA SEQUENCE TQVcTGTDMK LRLPASPETH LDMLRHLYQG cQVVQGNLEL TYLPTNASLS DATA SEQUENCE FLQDIQEVQG YVLIAHNQVR QVPLQRLRIV RGTQLFEDNY ALAVLDNGDP DATA SEQUENCE LXXXXXXXXX SPGGLRELQL RSLTEILKGG VLIQRNPQLc YQDTILWKDI DATA SEQUENCE FHKNNQLALT LIDTNRSRAc HPcSPMcKGS RcWGESSEDc QSLTRTVcAG DATA SEQUENCE GcARcKGPLP TDccHEQcAA GcTGPKHSDc LAcLHFNHSG IcELHcPALV DATA SEQUENCE TYNTDTFESM PNPEGRYTFG AScVTAcPYN YLSTDVGScT LVcPLHNQEV DATA SEQUENCE TAXXXTQRcE KcSKPcARVc YGLGMEHLRE VRAVTSANIQ EFAGcKKIFG DATA SEQUENCE SLAFLPESFD XXXXSNTAPL 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 XXXXXXXXXX IWKFPDEEGA DATA SEQUENCE CQPCPIN 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 0.000 174.794 174.700 0.157 0.000 1.109 1 T CA 0.000 62.174 62.100 0.124 0.000 1.349 1 T CB 0.000 68.919 68.868 0.085 0.000 0.612 2 Q N 0.191 120.065 119.800 0.124 0.000 2.437 2 Q HA 0.045 4.385 4.340 0.000 0.000 0.210 2 Q C 0.484 176.557 176.000 0.122 0.000 0.972 2 Q CA 0.813 56.682 55.803 0.110 0.000 0.903 2 Q CB -0.265 28.522 28.738 0.082 0.000 0.967 2 Q HN 0.464 nan 8.270 nan 0.000 0.486 3 V N 1.882 121.889 119.914 0.155 0.000 2.409 3 V HA 0.399 4.519 4.120 0.000 0.000 0.291 3 V C 0.152 176.297 176.094 0.086 0.000 1.020 3 V CA -1.198 61.181 62.300 0.131 0.000 0.848 3 V CB 0.946 32.881 31.823 0.187 0.000 0.990 3 V HN 0.444 nan 8.190 nan 0.000 0.430 4 c N 1.667 120.244 118.600 -0.038 0.000 2.822 4 c HA 0.913 5.483 4.570 0.000 0.000 0.341 4 c C 0.358 174.392 174.090 -0.094 0.000 1.301 4 c CA -0.496 55.687 56.329 -0.245 0.000 1.706 4 c CB 1.448 43.637 42.510 -0.535 0.000 2.178 4 c HN 0.754 nan 8.230 nan 0.000 0.481 5 T N 0.637 115.115 114.554 -0.125 0.000 2.943 5 T HA 0.668 5.018 4.350 0.000 0.000 0.284 5 T C 0.747 175.387 174.700 -0.100 0.000 1.015 5 T CA 0.377 62.449 62.100 -0.046 0.000 1.042 5 T CB 1.449 70.322 68.868 0.009 0.000 1.055 5 T HN 1.163 nan 8.240 nan 0.000 0.500 6 G N 0.862 109.644 108.800 -0.030 0.000 2.630 6 G HA2 0.615 4.575 3.960 0.000 0.000 0.223 6 G HA3 0.615 4.575 3.960 0.000 0.000 0.223 6 G C -0.004 174.865 174.900 -0.051 0.000 1.434 6 G CA -0.349 44.760 45.100 0.015 0.000 1.057 6 G HN 0.868 nan 8.290 nan 0.000 0.570 7 T N -3.631 110.914 114.554 -0.015 0.000 2.883 7 T HA 0.586 4.936 4.350 0.000 0.000 0.284 7 T C -1.158 173.540 174.700 -0.002 0.000 1.041 7 T CA -0.574 61.510 62.100 -0.027 0.000 1.007 7 T CB 2.487 71.359 68.868 0.007 0.000 1.220 7 T HN 0.274 nan 8.240 nan 0.000 0.552 8 D N 0.152 120.564 120.400 0.020 0.000 3.100 8 D HA 0.205 4.845 4.640 0.000 0.000 0.350 8 D C 0.907 177.257 176.300 0.083 0.000 1.310 8 D CA -0.249 53.794 54.000 0.072 0.000 0.741 8 D CB 0.090 40.920 40.800 0.050 0.000 1.248 8 D HN 0.715 nan 8.370 nan 0.000 0.527 9 M N -1.378 118.292 119.600 0.118 0.000 2.492 9 M HA 0.272 4.753 4.480 0.000 0.000 0.255 9 M C 0.895 177.303 176.300 0.181 0.000 1.139 9 M CA -0.003 55.361 55.300 0.108 0.000 1.096 9 M CB 0.249 32.925 32.600 0.125 0.000 1.360 9 M HN -0.257 nan 8.290 nan 0.000 0.480 10 K N 1.180 121.746 120.400 0.277 0.000 1.721 10 K HA -0.217 4.103 4.320 0.000 0.000 0.121 10 K C 0.628 177.403 176.600 0.292 0.000 1.152 10 K CA 2.183 58.683 56.287 0.356 0.000 0.360 10 K CB -1.433 31.293 32.500 0.377 0.000 0.626 10 K HN 0.367 nan 8.250 nan 0.000 0.878 11 L N 1.155 122.558 121.223 0.301 0.000 2.741 11 L HA 0.152 4.492 4.340 0.000 0.000 0.237 11 L C 0.317 177.365 176.870 0.296 0.000 1.178 11 L CA -0.164 54.869 54.840 0.321 0.000 0.973 11 L CB 0.044 42.302 42.059 0.332 0.000 1.255 11 L HN 0.224 nan 8.230 nan 0.000 0.498 12 R N 0.925 121.543 120.500 0.197 0.000 2.442 12 R HA 0.190 4.530 4.340 0.000 0.000 0.291 12 R C -0.251 175.991 176.300 -0.095 0.000 1.069 12 R CA -0.525 55.612 56.100 0.061 0.000 1.022 12 R CB 1.007 31.328 30.300 0.036 0.000 0.976 12 R HN 0.001 nan 8.270 nan 0.000 0.443 13 L N 5.759 126.787 121.223 -0.326 0.000 2.455 13 L HA 0.221 4.561 4.340 0.000 0.000 0.272 13 L C -2.132 174.488 176.870 -0.416 0.000 1.174 13 L CA -1.131 53.268 54.840 -0.735 0.000 0.869 13 L CB 0.408 42.102 42.059 -0.608 0.000 1.130 13 L HN 0.447 nan 8.230 nan 0.000 0.474 14 P HA 0.084 nan 4.420 nan 0.000 0.265 14 P C 0.045 177.220 177.300 -0.209 0.000 1.193 14 P CA 0.219 63.157 63.100 -0.270 0.000 0.765 14 P CB 0.974 32.435 31.700 -0.397 0.000 0.823 15 A N 2.574 125.317 122.820 -0.129 0.000 2.070 15 A HA 0.017 4.337 4.320 0.000 0.000 0.220 15 A C 0.828 178.291 177.584 -0.203 0.000 1.159 15 A CA 1.622 53.594 52.037 -0.107 0.000 0.656 15 A CB -0.556 18.468 19.000 0.041 0.000 0.800 15 A HN 0.606 nan 8.150 nan 0.000 0.453 16 S N -2.968 112.580 115.700 -0.252 0.000 2.626 16 S HA 0.503 4.973 4.470 0.000 0.000 0.275 16 S C -2.586 171.973 174.600 -0.069 0.000 1.175 16 S CA -0.894 57.202 58.200 -0.172 0.000 0.982 16 S CB 1.723 64.806 63.200 -0.195 0.000 1.093 16 S HN -0.068 nan 8.310 nan 0.000 0.472 17 P HA -0.097 nan 4.420 nan 0.000 0.215 17 P C 1.181 178.543 177.300 0.103 0.000 1.157 17 P CA 1.495 64.635 63.100 0.067 0.000 0.863 17 P CB 0.010 31.740 31.700 0.050 0.000 0.787 18 E N -0.501 119.731 120.200 0.053 0.000 2.113 18 E HA -0.222 4.129 4.350 0.000 0.000 0.210 18 E C 1.731 178.346 176.600 0.026 0.000 1.040 18 E CA 2.182 58.603 56.400 0.035 0.000 0.847 18 E CB -1.488 28.222 29.700 0.017 0.000 0.755 18 E HN 0.310 nan 8.360 nan 0.000 0.459 19 T N -0.384 114.174 114.554 0.007 0.000 2.951 19 T HA -0.124 4.226 4.350 0.000 0.000 0.268 19 T C 1.647 176.397 174.700 0.084 0.000 1.073 19 T CA 1.300 63.402 62.100 0.003 0.000 1.134 19 T CB -0.281 68.543 68.868 -0.073 0.000 0.884 19 T HN 0.279 nan 8.240 nan 0.000 0.479 20 H N 1.110 120.196 119.070 0.026 0.000 2.353 20 H HA 0.136 4.693 4.556 0.000 0.000 0.300 20 H C 1.991 177.366 175.328 0.079 0.000 1.090 20 H CA 1.148 57.244 56.048 0.079 0.000 1.327 20 H CB -0.501 29.306 29.762 0.075 0.000 1.383 20 H HN 0.231 nan 8.280 nan 0.000 0.508 21 L N -0.171 121.072 121.223 0.033 0.000 2.056 21 L HA -0.151 4.189 4.340 0.000 0.000 0.207 21 L C 1.897 178.706 176.870 -0.103 0.000 1.078 21 L CA 1.461 56.293 54.840 -0.014 0.000 0.749 21 L CB -0.232 41.871 42.059 0.073 0.000 0.901 21 L HN 0.359 nan 8.230 nan 0.000 0.433 22 D N -0.397 119.968 120.400 -0.059 0.000 2.123 22 D HA -0.256 4.384 4.640 0.000 0.000 0.196 22 D C 2.071 178.358 176.300 -0.022 0.000 0.992 22 D CA 1.268 55.234 54.000 -0.055 0.000 0.833 22 D CB -0.121 40.691 40.800 0.021 0.000 0.954 22 D HN 0.262 nan 8.370 nan 0.000 0.455 23 M N 0.510 120.085 119.600 -0.043 0.000 2.067 23 M HA -0.159 4.321 4.480 0.000 0.000 0.260 23 M C 1.964 178.126 176.300 -0.231 0.000 1.069 23 M CA 1.006 56.242 55.300 -0.106 0.000 1.117 23 M CB -0.587 31.961 32.600 -0.087 0.000 1.334 23 M HN -0.039 nan 8.290 nan 0.000 0.407 24 L N 0.778 121.842 121.223 -0.266 0.000 2.051 24 L HA -0.244 4.096 4.340 0.000 0.000 0.214 24 L C 2.750 179.311 176.870 -0.516 0.000 1.076 24 L CA 2.174 56.897 54.840 -0.196 0.000 0.758 24 L CB -1.327 40.708 42.059 -0.040 0.000 0.890 24 L HN 0.441 nan 8.230 nan 0.000 0.433 25 R N -1.866 118.031 120.500 -1.004 0.000 2.062 25 R HA -0.154 4.187 4.340 0.000 0.000 0.231 25 R C 2.422 178.333 176.300 -0.649 0.000 1.136 25 R CA 1.159 56.344 56.100 -1.524 0.000 0.948 25 R CB -0.309 29.336 30.300 -1.093 0.000 0.845 25 R HN 0.423 nan 8.270 nan 0.000 0.430 26 H N 0.137 118.969 119.070 -0.397 0.000 2.390 26 H HA -0.163 4.393 4.556 0.000 0.000 0.298 26 H C 1.940 177.193 175.328 -0.125 0.000 1.106 26 H CA 1.606 57.514 56.048 -0.233 0.000 1.297 26 H CB 0.059 29.681 29.762 -0.234 0.000 1.375 26 H HN 0.185 nan 8.280 nan 0.000 0.509 27 L N -0.086 121.029 121.223 -0.181 0.000 2.068 27 L HA -0.118 4.222 4.340 0.000 0.000 0.204 27 L C 1.618 178.216 176.870 -0.453 0.000 1.076 27 L CA 1.655 56.230 54.840 -0.441 0.000 0.753 27 L CB -0.845 40.699 42.059 -0.857 0.000 0.910 27 L HN 0.175 nan 8.230 nan 0.000 0.439 28 Y N -1.613 118.700 120.300 0.023 0.000 2.481 28 Y HA 0.203 4.753 4.550 0.000 0.000 0.258 28 Y C 1.191 177.213 175.900 0.205 0.000 1.103 28 Y CA -0.390 57.786 58.100 0.127 0.000 1.287 28 Y CB 0.162 38.761 38.460 0.232 0.000 1.108 28 Y HN 0.130 nan 8.280 nan 0.000 0.529 29 Q N 0.875 120.831 119.800 0.259 0.000 2.274 29 Q HA 0.165 4.505 4.340 0.000 0.000 0.280 29 Q C 1.012 177.122 176.000 0.184 0.000 1.047 29 Q CA 1.151 57.083 55.803 0.215 0.000 0.907 29 Q CB 0.449 29.229 28.738 0.069 0.000 1.171 29 Q HN 0.707 nan 8.270 nan 0.000 0.381 30 G N 2.537 111.434 108.800 0.161 0.000 2.176 30 G HA2 -0.311 3.649 3.960 0.000 0.000 0.253 30 G HA3 -0.311 3.649 3.960 0.000 0.000 0.253 30 G C 0.195 175.187 174.900 0.154 0.000 0.979 30 G CA 0.018 45.189 45.100 0.119 0.000 0.641 30 G HN 0.743 nan 8.290 nan 0.000 0.530 31 c N 0.828 119.556 118.600 0.214 0.000 2.527 31 c HA 0.677 5.247 4.570 0.000 0.000 0.396 31 c C 1.724 175.891 174.090 0.129 0.000 1.289 31 c CA 0.638 57.090 56.329 0.204 0.000 2.047 31 c CB 0.736 43.400 42.510 0.256 0.000 2.568 31 c HN 0.595 nan 8.230 nan 0.000 0.573 32 Q N 2.720 122.576 119.800 0.094 0.000 2.391 32 Q HA 0.254 4.594 4.340 0.000 0.000 0.243 32 Q C -0.467 175.549 176.000 0.028 0.000 0.874 32 Q CA 0.374 56.207 55.803 0.049 0.000 0.950 32 Q CB 0.760 29.522 28.738 0.040 0.000 1.103 32 Q HN 0.604 nan 8.270 nan 0.000 0.544 33 V N 1.784 121.719 119.914 0.035 0.000 2.443 33 V HA 0.281 4.401 4.120 0.000 0.000 0.293 33 V C -0.609 175.488 176.094 0.006 0.000 1.021 33 V CA -0.724 61.577 62.300 0.001 0.000 0.848 33 V CB 2.010 33.821 31.823 -0.019 0.000 0.998 33 V HN -0.102 nan 8.190 nan 0.000 0.424 34 V N 5.383 125.297 119.914 0.001 0.000 2.364 34 V HA 0.344 4.464 4.120 0.000 0.000 0.272 34 V C 0.059 176.133 176.094 -0.032 0.000 1.036 34 V CA -0.616 61.700 62.300 0.027 0.000 0.880 34 V CB 1.422 33.287 31.823 0.070 0.000 0.991 34 V HN 0.787 nan 8.190 nan 0.000 0.460 35 Q N 3.843 123.618 119.800 -0.041 0.000 2.322 35 Q HA 0.560 4.900 4.340 0.000 0.000 0.256 35 Q C 0.761 176.742 176.000 -0.031 0.000 0.960 35 Q CA 0.682 56.443 55.803 -0.069 0.000 0.934 35 Q CB 1.487 30.183 28.738 -0.070 0.000 1.200 35 Q HN 1.105 nan 8.270 nan 0.000 0.435 36 G N 3.969 112.738 108.800 -0.052 0.000 2.475 36 G HA2 -0.208 3.752 3.960 0.000 0.000 0.223 36 G HA3 -0.208 3.752 3.960 0.000 0.000 0.223 36 G C -0.729 174.083 174.900 -0.147 0.000 1.201 36 G CA -0.799 44.255 45.100 -0.075 0.000 0.962 36 G HN 0.559 nan 8.290 nan 0.000 0.586 37 N N 0.286 118.862 118.700 -0.207 0.000 2.372 37 N HA 0.552 5.292 4.740 0.000 0.000 0.291 37 N C -0.780 174.630 175.510 -0.166 0.000 1.024 37 N CA -0.479 52.338 53.050 -0.388 0.000 0.873 37 N CB 1.995 39.992 38.487 -0.817 0.000 1.206 37 N HN 0.776 nan 8.380 nan 0.000 0.486 38 L N 1.709 122.841 121.223 -0.152 0.000 2.259 38 L HA 0.351 4.691 4.340 0.000 0.000 0.288 38 L C -0.368 176.474 176.870 -0.047 0.000 1.051 38 L CA 0.084 54.869 54.840 -0.092 0.000 0.824 38 L CB 0.078 42.018 42.059 -0.198 0.000 1.206 38 L HN 0.416 nan 8.230 nan 0.000 0.429 39 E N 6.199 126.427 120.200 0.045 0.000 2.191 39 E HA 0.471 4.821 4.350 0.000 0.000 0.263 39 E C -1.309 175.363 176.600 0.121 0.000 0.881 39 E CA -0.448 56.010 56.400 0.097 0.000 0.757 39 E CB 1.841 31.639 29.700 0.163 0.000 1.147 39 E HN 0.564 nan 8.360 nan 0.000 0.414 40 L N 3.327 124.597 121.223 0.078 0.000 2.388 40 L HA 0.422 4.762 4.340 0.000 0.000 0.267 40 L C -0.431 176.503 176.870 0.107 0.000 0.995 40 L CA -0.511 54.389 54.840 0.101 0.000 0.864 40 L CB 1.314 43.383 42.059 0.016 0.000 1.216 40 L HN 0.545 nan 8.230 nan 0.000 0.430 41 T N -2.492 112.203 114.554 0.235 0.000 2.903 41 T HA 0.534 4.884 4.350 0.000 0.000 0.299 41 T C -0.039 174.829 174.700 0.279 0.000 1.093 41 T CA -0.613 61.578 62.100 0.151 0.000 1.002 41 T CB 1.187 70.173 68.868 0.196 0.000 1.127 41 T HN 0.457 nan 8.240 nan 0.000 0.488 42 Y N -0.596 119.776 120.300 0.119 0.000 3.825 42 Y HA -0.176 4.374 4.550 0.000 0.000 0.221 42 Y C 0.189 176.157 175.900 0.113 0.000 1.195 42 Y CA -0.122 58.016 58.100 0.063 0.000 1.699 42 Y CB -2.132 36.280 38.460 -0.080 0.000 1.531 42 Y HN 0.619 nan 8.280 nan 0.000 0.640 43 L N 3.289 124.640 121.223 0.215 0.000 2.319 43 L HA 0.329 4.669 4.340 0.000 0.000 0.280 43 L C -1.564 175.381 176.870 0.125 0.000 1.099 43 L CA -1.939 53.016 54.840 0.191 0.000 0.828 43 L CB 0.624 42.775 42.059 0.153 0.000 1.150 43 L HN -0.159 nan 8.230 nan 0.000 0.442 44 P HA 0.029 nan 4.420 nan 0.000 0.275 44 P C 0.499 177.836 177.300 0.062 0.000 1.266 44 P CA -0.380 62.773 63.100 0.088 0.000 0.793 44 P CB 0.829 32.581 31.700 0.086 0.000 1.074 45 T N -0.132 114.451 114.554 0.049 0.000 2.788 45 T HA -0.078 4.272 4.350 0.000 0.000 0.268 45 T C 1.337 176.055 174.700 0.031 0.000 1.044 45 T CA 1.468 63.589 62.100 0.034 0.000 1.139 45 T CB -0.828 68.058 68.868 0.030 0.000 0.867 45 T HN 0.550 nan 8.240 nan 0.000 0.454 46 N N 1.163 119.885 118.700 0.037 0.000 2.370 46 N HA 0.195 4.935 4.740 0.000 0.000 0.198 46 N C 0.203 175.735 175.510 0.038 0.000 1.156 46 N CA -0.102 52.967 53.050 0.033 0.000 0.839 46 N CB -0.017 38.491 38.487 0.034 0.000 0.989 46 N HN 0.273 nan 8.380 nan 0.000 0.468 47 A N 1.237 124.083 122.820 0.044 0.000 2.409 47 A HA 0.362 4.682 4.320 0.000 0.000 0.267 47 A C 0.418 178.019 177.584 0.029 0.000 1.127 47 A CA -0.560 51.511 52.037 0.057 0.000 0.795 47 A CB 0.106 19.154 19.000 0.079 0.000 1.061 47 A HN 0.345 nan 8.150 nan 0.000 0.502 48 S N 2.770 118.500 115.700 0.049 0.000 2.411 48 S HA 0.457 4.927 4.470 0.000 0.000 0.294 48 S C -0.032 174.545 174.600 -0.038 0.000 1.115 48 S CA -0.531 57.677 58.200 0.012 0.000 1.071 48 S CB 0.277 63.502 63.200 0.041 0.000 0.967 48 S HN 0.538 nan 8.310 nan 0.000 0.488 49 L N 3.113 124.200 121.223 -0.227 0.000 2.912 49 L HA 0.173 4.513 4.340 0.000 0.000 0.240 49 L C 2.010 178.487 176.870 -0.655 0.000 1.262 49 L CA -0.249 54.197 54.840 -0.655 0.000 1.058 49 L CB -0.289 41.491 42.059 -0.466 0.000 1.383 49 L HN 0.883 nan 8.230 nan 0.000 0.512 50 S N 0.418 115.918 115.700 -0.334 0.000 2.402 50 S HA -0.232 4.238 4.470 0.000 0.000 0.229 50 S C 1.957 176.459 174.600 -0.164 0.000 1.021 50 S CA 0.864 58.949 58.200 -0.191 0.000 0.974 50 S CB -0.648 62.513 63.200 -0.066 0.000 0.800 50 S HN 0.563 nan 8.310 nan 0.000 0.484 51 F N 1.800 121.746 119.950 -0.007 0.000 2.257 51 F HA -0.001 4.526 4.527 0.000 0.000 0.302 51 F C 1.635 177.450 175.800 0.024 0.000 1.056 51 F CA 0.664 58.672 58.000 0.013 0.000 1.353 51 F CB -0.862 38.151 39.000 0.021 0.000 1.064 51 F HN 0.176 nan 8.300 nan 0.000 0.520 52 L N -0.141 120.873 121.223 -0.347 0.000 2.492 52 L HA -0.054 4.287 4.340 0.000 0.000 0.223 52 L C 2.466 179.257 176.870 -0.132 0.000 1.132 52 L CA 0.554 55.260 54.840 -0.223 0.000 0.850 52 L CB -0.673 41.153 42.059 -0.389 0.000 0.966 52 L HN 0.262 nan 8.230 nan 0.000 0.454 53 Q N -0.033 119.702 119.800 -0.109 0.000 2.152 53 Q HA -0.249 4.091 4.340 0.000 0.000 0.206 53 Q C 1.248 177.214 176.000 -0.057 0.000 0.985 53 Q CA 1.619 57.371 55.803 -0.084 0.000 0.863 53 Q CB 0.047 28.751 28.738 -0.056 0.000 0.904 53 Q HN 0.443 nan 8.270 nan 0.000 0.422 54 D N -0.290 120.097 120.400 -0.021 0.000 2.350 54 D HA 0.071 4.711 4.640 0.000 0.000 0.213 54 D C 0.024 176.318 176.300 -0.009 0.000 1.031 54 D CA 0.104 54.102 54.000 -0.003 0.000 0.861 54 D CB 0.315 41.135 40.800 0.034 0.000 0.926 54 D HN 0.232 nan 8.370 nan 0.000 0.520 55 I N 1.824 122.375 120.570 -0.032 0.000 2.664 55 I HA -0.086 4.084 4.170 0.000 0.000 0.284 55 I C 1.382 177.463 176.117 -0.060 0.000 1.154 55 I CA 0.576 61.848 61.300 -0.047 0.000 1.402 55 I CB 0.607 38.543 38.000 -0.105 0.000 1.395 55 I HN -0.132 nan 8.210 nan 0.000 0.545 56 Q N 4.393 124.167 119.800 -0.042 0.000 2.316 56 Q HA 0.263 4.603 4.340 0.000 0.000 0.235 56 Q C -0.004 175.967 176.000 -0.049 0.000 0.863 56 Q CA 0.159 55.933 55.803 -0.048 0.000 0.939 56 Q CB 1.118 29.837 28.738 -0.032 0.000 1.108 56 Q HN 0.625 nan 8.270 nan 0.000 0.522 57 E N 0.767 120.940 120.200 -0.045 0.000 2.275 57 E HA 0.432 4.782 4.350 0.000 0.000 0.270 57 E C -1.766 174.804 176.600 -0.051 0.000 0.882 57 E CA -0.461 55.911 56.400 -0.046 0.000 0.758 57 E CB 2.776 32.450 29.700 -0.044 0.000 1.195 57 E HN -0.161 nan 8.360 nan 0.000 0.419 58 V N 4.302 124.185 119.914 -0.051 0.000 2.407 58 V HA 0.110 4.230 4.120 0.000 0.000 0.291 58 V C 0.892 176.954 176.094 -0.052 0.000 1.018 58 V CA -0.381 61.887 62.300 -0.054 0.000 0.842 58 V CB 1.542 33.331 31.823 -0.057 0.000 0.996 58 V HN 0.805 nan 8.190 nan 0.000 0.426 59 Q N 2.963 122.723 119.800 -0.067 0.000 2.123 59 Q HA -0.029 4.311 4.340 0.000 0.000 0.199 59 Q C 1.441 177.413 176.000 -0.047 0.000 0.966 59 Q CA 1.792 57.553 55.803 -0.069 0.000 0.845 59 Q CB 0.261 28.946 28.738 -0.089 0.000 0.907 59 Q HN 0.967 nan 8.270 nan 0.000 0.439 60 G N -0.537 108.222 108.800 -0.070 0.000 3.411 60 G HA2 0.170 4.130 3.960 0.000 0.000 0.186 60 G HA3 0.170 4.130 3.960 0.000 0.000 0.186 60 G C -0.511 174.394 174.900 0.009 0.000 1.766 60 G CA 0.132 45.194 45.100 -0.062 0.000 0.971 60 G HN 0.345 nan 8.290 nan 0.000 0.590 61 Y N -1.759 118.579 120.300 0.062 0.000 2.567 61 Y HA 0.766 5.316 4.550 0.000 0.000 0.333 61 Y C -0.662 175.260 175.900 0.036 0.000 1.106 61 Y CA -1.905 56.239 58.100 0.073 0.000 1.157 61 Y CB 1.438 39.978 38.460 0.135 0.000 1.277 61 Y HN 0.231 nan 8.280 nan 0.000 0.490 62 V N 3.341 123.407 119.914 0.254 0.000 2.417 62 V HA 0.498 4.618 4.120 0.000 0.000 0.291 62 V C -1.067 175.116 176.094 0.148 0.000 1.024 62 V CA -0.642 61.728 62.300 0.117 0.000 0.861 62 V CB 1.363 33.210 31.823 0.039 0.000 0.985 62 V HN 0.767 nan 8.190 nan 0.000 0.436 63 L N 6.894 128.169 121.223 0.086 0.000 2.406 63 L HA 0.698 5.038 4.340 0.000 0.000 0.272 63 L C -1.133 175.686 176.870 -0.084 0.000 0.980 63 L CA 0.089 54.883 54.840 -0.077 0.000 0.831 63 L CB 1.555 43.519 42.059 -0.158 0.000 1.253 63 L HN 0.588 nan 8.230 nan 0.000 0.406 64 I N 5.680 126.175 120.570 -0.125 0.000 2.405 64 I HA 0.782 4.952 4.170 0.000 0.000 0.280 64 I C -0.229 175.799 176.117 -0.149 0.000 1.027 64 I CA -0.075 61.166 61.300 -0.099 0.000 1.161 64 I CB 1.445 39.399 38.000 -0.076 0.000 1.300 64 I HN 0.793 nan 8.210 nan 0.000 0.463 65 A N 3.848 126.578 122.820 -0.151 0.000 2.556 65 A HA 0.615 4.935 4.320 0.000 0.000 0.294 65 A C -0.002 177.422 177.584 -0.266 0.000 1.091 65 A CA -0.484 51.410 52.037 -0.238 0.000 0.704 65 A CB 0.782 19.640 19.000 -0.237 0.000 1.300 65 A HN 0.707 nan 8.150 nan 0.000 0.406 66 H N 0.273 119.134 119.070 -0.349 0.000 2.655 66 H HA -0.141 4.415 4.556 0.000 0.000 0.313 66 H C -0.258 174.855 175.328 -0.359 0.000 1.141 66 H CA 1.377 57.135 56.048 -0.484 0.000 1.138 66 H CB -1.121 27.957 29.762 -1.140 0.000 1.446 66 H HN 0.606 nan 8.280 nan 0.000 0.415 67 N N 0.742 119.370 118.700 -0.120 0.000 2.370 67 N HA 0.155 4.896 4.740 0.000 0.000 0.303 67 N C 1.003 176.504 175.510 -0.014 0.000 1.103 67 N CA -0.448 52.579 53.050 -0.038 0.000 0.848 67 N CB 1.363 39.834 38.487 -0.027 0.000 1.235 67 N HN 0.327 nan 8.380 nan 0.000 0.496 68 Q N -0.152 119.660 119.800 0.019 0.000 2.282 68 Q HA 0.166 4.506 4.340 0.000 0.000 0.206 68 Q C 0.166 176.177 176.000 0.018 0.000 0.878 68 Q CA -0.047 55.769 55.803 0.021 0.000 0.944 68 Q CB 0.557 29.318 28.738 0.038 0.000 1.100 68 Q HN 0.446 nan 8.270 nan 0.000 0.509 69 V N 0.753 120.677 119.914 0.017 0.000 2.740 69 V HA 0.015 4.135 4.120 0.000 0.000 0.303 69 V C 1.196 177.291 176.094 0.002 0.000 1.054 69 V CA 0.015 62.321 62.300 0.010 0.000 1.106 69 V CB 0.742 32.566 31.823 0.002 0.000 0.957 69 V HN 0.278 nan 8.190 nan 0.000 0.486 70 R N 2.233 122.735 120.500 0.003 0.000 2.200 70 R HA 0.075 4.416 4.340 0.000 0.000 0.208 70 R C 0.187 176.489 176.300 0.004 0.000 1.033 70 R CA 0.551 56.655 56.100 0.006 0.000 1.000 70 R CB 0.049 30.355 30.300 0.010 0.000 0.906 70 R HN 0.976 nan 8.270 nan 0.000 0.462 71 Q N -0.386 119.408 119.800 -0.010 0.000 2.472 71 Q HA 0.460 4.800 4.340 0.000 0.000 0.281 71 Q C -1.252 174.718 176.000 -0.050 0.000 0.997 71 Q CA -1.009 54.782 55.803 -0.021 0.000 0.828 71 Q CB 2.219 30.946 28.738 -0.018 0.000 1.443 71 Q HN -0.045 nan 8.270 nan 0.000 0.390 72 V N -1.633 118.242 119.914 -0.065 0.000 2.443 72 V HA 0.598 4.718 4.120 0.000 0.000 0.293 72 V C -2.612 173.408 176.094 -0.122 0.000 1.021 72 V CA -2.116 60.119 62.300 -0.107 0.000 0.848 72 V CB 1.156 32.917 31.823 -0.103 0.000 0.998 72 V HN 0.776 nan 8.190 nan 0.000 0.424 73 P HA 0.332 nan 4.420 nan 0.000 0.244 73 P C -0.019 177.186 177.300 -0.159 0.000 1.769 73 P CA 0.102 63.117 63.100 -0.142 0.000 1.102 73 P CB 0.333 31.948 31.700 -0.142 0.000 1.937 74 L N 1.685 122.812 121.223 -0.160 0.000 2.912 74 L HA 0.197 4.537 4.340 0.000 0.000 0.240 74 L C 1.591 178.348 176.870 -0.188 0.000 1.262 74 L CA -0.092 54.644 54.840 -0.173 0.000 1.058 74 L CB -0.148 41.805 42.059 -0.177 0.000 1.383 74 L HN 0.080 nan 8.230 nan 0.000 0.512 75 Q N 0.129 119.829 119.800 -0.167 0.000 2.364 75 Q HA -0.101 4.240 4.340 0.000 0.000 0.209 75 Q C 1.892 177.791 176.000 -0.169 0.000 0.977 75 Q CA 1.324 57.020 55.803 -0.178 0.000 0.885 75 Q CB -0.005 28.654 28.738 -0.131 0.000 0.941 75 Q HN 0.362 nan 8.270 nan 0.000 0.464 76 R N -0.668 119.748 120.500 -0.140 0.000 2.334 76 R HA 0.192 4.532 4.340 0.000 0.000 0.212 76 R C -0.056 176.174 176.300 -0.117 0.000 0.897 76 R CA -0.230 55.803 56.100 -0.112 0.000 1.056 76 R CB 0.286 30.538 30.300 -0.081 0.000 1.046 76 R HN 0.221 nan 8.270 nan 0.000 0.513 77 L N 2.134 123.269 121.223 -0.146 0.000 2.562 77 L HA -0.037 4.303 4.340 0.000 0.000 0.271 77 L C 1.118 177.912 176.870 -0.128 0.000 1.167 77 L CA 0.550 55.310 54.840 -0.134 0.000 0.917 77 L CB 0.471 42.438 42.059 -0.152 0.000 1.187 77 L HN 0.060 nan 8.230 nan 0.000 0.482 78 R N 4.894 125.343 120.500 -0.084 0.000 2.123 78 R HA 0.337 4.678 4.340 0.000 0.000 0.209 78 R C 0.085 176.366 176.300 -0.033 0.000 1.078 78 R CA 0.531 56.594 56.100 -0.061 0.000 1.028 78 R CB 0.378 30.652 30.300 -0.043 0.000 0.939 78 R HN 0.691 nan 8.270 nan 0.000 0.463 79 I N 0.463 121.017 120.570 -0.026 0.000 2.692 79 I HA 0.351 4.521 4.170 0.000 0.000 0.293 79 I C -1.719 174.397 176.117 -0.002 0.000 1.200 79 I CA -1.214 60.085 61.300 -0.001 0.000 1.036 79 I CB 2.208 40.202 38.000 -0.009 0.000 1.258 79 I HN -0.106 nan 8.210 nan 0.000 0.421 80 V N 5.460 125.393 119.914 0.032 0.000 2.604 80 V HA 0.626 4.747 4.120 0.000 0.000 0.305 80 V C 0.095 176.212 176.094 0.037 0.000 1.043 80 V CA -0.344 61.975 62.300 0.032 0.000 0.888 80 V CB 1.905 33.767 31.823 0.064 0.000 0.995 80 V HN 0.972 nan 8.190 nan 0.000 0.429 81 R N 3.405 123.909 120.500 0.006 0.000 2.237 81 R HA 0.370 4.710 4.340 0.000 0.000 0.195 81 R C 1.615 177.916 176.300 0.002 0.000 0.956 81 R CA 0.694 56.781 56.100 -0.021 0.000 1.029 81 R CB 0.515 30.776 30.300 -0.064 0.000 0.972 81 R HN 1.443 nan 8.270 nan 0.000 0.493 82 G N 0.568 109.392 108.800 0.040 0.000 2.155 82 G HA2 -0.327 3.633 3.960 0.000 0.000 0.257 82 G HA3 -0.327 3.633 3.960 0.000 0.000 0.257 82 G C 0.851 175.785 174.900 0.057 0.000 0.983 82 G CA 0.839 45.984 45.100 0.074 0.000 0.676 82 G HN 0.299 nan 8.290 nan 0.000 0.528 83 T N 0.077 114.648 114.554 0.029 0.000 2.624 83 T HA -0.152 4.198 4.350 0.000 0.000 0.266 83 T C 1.302 176.039 174.700 0.060 0.000 1.050 83 T CA 2.346 64.461 62.100 0.025 0.000 1.163 83 T CB -0.094 68.775 68.868 0.002 0.000 0.861 83 T HN 0.801 nan 8.240 nan 0.000 0.443 84 Q N -0.225 119.637 119.800 0.103 0.000 2.345 84 Q HA 0.710 5.050 4.340 0.000 0.000 0.268 84 Q C -1.188 175.008 176.000 0.326 0.000 1.054 84 Q CA -0.591 55.322 55.803 0.182 0.000 0.835 84 Q CB 2.290 31.152 28.738 0.208 0.000 1.339 84 Q HN 0.302 nan 8.270 nan 0.000 0.447 85 L N 1.412 122.796 121.223 0.268 0.000 2.365 85 L HA 0.511 4.851 4.340 0.000 0.000 0.273 85 L C -0.630 176.234 176.870 -0.010 0.000 1.000 85 L CA -0.988 53.971 54.840 0.200 0.000 0.819 85 L CB 1.093 43.179 42.059 0.046 0.000 1.284 85 L HN 0.558 nan 8.230 nan 0.000 0.418 86 F N 2.330 121.977 119.950 -0.505 0.000 2.563 86 F HA 0.013 4.540 4.527 0.000 0.000 0.363 86 F C 1.269 176.985 175.800 -0.141 0.000 1.123 86 F CA 0.096 57.724 58.000 -0.619 0.000 1.307 86 F CB 0.150 38.740 39.000 -0.683 0.000 1.115 86 F HN 0.662 nan 8.300 nan 0.000 0.592 87 E N 3.662 123.304 120.200 -0.930 0.000 2.325 87 E HA -0.367 3.983 4.350 0.000 0.000 0.232 87 E C 0.070 176.503 176.600 -0.279 0.000 1.276 87 E CA 0.964 57.035 56.400 -0.549 0.000 0.717 87 E CB -1.002 28.442 29.700 -0.427 0.000 1.192 87 E HN 0.762 nan 8.360 nan 0.000 0.380 88 D N -2.146 118.117 120.400 -0.227 0.000 3.028 88 D HA -0.230 4.410 4.640 0.000 0.000 0.211 88 D C 0.546 176.717 176.300 -0.215 0.000 1.136 88 D CA 1.737 55.639 54.000 -0.164 0.000 0.987 88 D CB -1.036 39.679 40.800 -0.142 0.000 1.128 88 D HN 0.435 nan 8.370 nan 0.000 0.406 89 N N -1.383 117.107 118.700 -0.351 0.000 2.297 89 N HA 0.097 4.837 4.740 0.000 0.000 0.208 89 N C -0.437 174.723 175.510 -0.584 0.000 1.176 89 N CA 0.247 52.940 53.050 -0.596 0.000 0.882 89 N CB 0.571 38.437 38.487 -1.035 0.000 1.134 89 N HN 0.243 nan 8.380 nan 0.000 0.489 90 Y N -0.386 119.910 120.300 -0.008 0.000 2.350 90 Y HA 0.610 5.160 4.550 0.000 0.000 0.338 90 Y C 0.767 176.719 175.900 0.087 0.000 0.961 90 Y CA -0.952 57.169 58.100 0.036 0.000 1.100 90 Y CB 2.032 40.544 38.460 0.087 0.000 1.179 90 Y HN -0.086 nan 8.280 nan 0.000 0.454 91 A N 2.665 125.636 122.820 0.253 0.000 2.095 91 A HA 0.225 4.545 4.320 0.000 0.000 0.212 91 A C -0.237 177.493 177.584 0.243 0.000 1.162 91 A CA 0.557 52.741 52.037 0.246 0.000 0.753 91 A CB 0.346 19.469 19.000 0.204 0.000 0.840 91 A HN 0.521 nan 8.150 nan 0.000 0.468 92 L N -0.720 120.623 121.223 0.199 0.000 2.441 92 L HA 0.757 5.097 4.340 0.000 0.000 0.270 92 L C -0.827 176.046 176.870 0.005 0.000 0.973 92 L CA -0.520 54.385 54.840 0.109 0.000 0.842 92 L CB 1.503 43.630 42.059 0.112 0.000 1.239 92 L HN 0.177 nan 8.230 nan 0.000 0.406 93 A N 4.735 127.502 122.820 -0.089 0.000 2.359 93 A HA 0.840 5.160 4.320 0.000 0.000 0.303 93 A C -1.640 175.799 177.584 -0.242 0.000 1.066 93 A CA -0.508 51.381 52.037 -0.245 0.000 0.730 93 A CB 1.779 20.520 19.000 -0.432 0.000 1.211 93 A HN 0.519 nan 8.150 nan 0.000 0.439 94 V N 4.091 123.880 119.914 -0.208 0.000 2.447 94 V HA 0.542 4.662 4.120 0.000 0.000 0.292 94 V C -0.764 175.221 176.094 -0.183 0.000 1.021 94 V CA -0.154 62.051 62.300 -0.157 0.000 0.850 94 V CB 0.857 32.636 31.823 -0.074 0.000 1.005 94 V HN 0.767 nan 8.190 nan 0.000 0.426 95 L N 3.224 124.315 121.223 -0.220 0.000 2.464 95 L HA 0.639 4.979 4.340 0.000 0.000 0.266 95 L C -0.218 176.462 176.870 -0.318 0.000 0.965 95 L CA -0.858 53.833 54.840 -0.247 0.000 0.833 95 L CB 2.173 44.077 42.059 -0.259 0.000 1.296 95 L HN 0.536 nan 8.230 nan 0.000 0.405 96 D N 1.440 121.676 120.400 -0.274 0.000 2.689 96 D HA -0.166 4.474 4.640 0.000 0.000 0.237 96 D C -0.321 175.818 176.300 -0.270 0.000 1.148 96 D CA 0.664 54.480 54.000 -0.307 0.000 0.656 96 D CB -0.568 39.897 40.800 -0.558 0.000 1.050 96 D HN 0.616 nan 8.370 nan 0.000 0.426 97 N N 0.916 119.512 118.700 -0.173 0.000 3.229 97 N HA 0.378 5.118 4.740 0.000 0.000 0.275 97 N C 0.573 176.042 175.510 -0.069 0.000 1.225 97 N CA 0.214 53.193 53.050 -0.118 0.000 1.119 97 N CB 1.370 39.800 38.487 -0.094 0.000 1.392 97 N HN 0.366 nan 8.380 nan 0.000 0.520 98 G N -0.026 108.741 108.800 -0.055 0.000 2.646 98 G HA2 0.143 4.103 3.960 0.000 0.000 0.291 98 G HA3 0.143 4.103 3.960 0.000 0.000 0.291 98 G C -1.072 173.825 174.900 -0.003 0.000 1.445 98 G CA -0.621 44.463 45.100 -0.026 0.000 0.814 98 G HN 0.039 nan 8.290 nan 0.000 0.495 99 D N 0.888 121.293 120.400 0.008 0.000 2.474 99 D HA 0.204 4.844 4.640 0.000 0.000 0.232 99 D C -1.513 174.808 176.300 0.036 0.000 1.177 99 D CA 0.190 54.203 54.000 0.023 0.000 0.876 99 D CB 0.459 41.270 40.800 0.019 0.000 1.208 99 D HN 0.061 nan 8.370 nan 0.000 0.464 100 P HA -0.006 nan 4.420 nan 0.000 0.267 100 P C 0.136 177.460 177.300 0.041 0.000 1.201 100 P CA -0.290 62.843 63.100 0.055 0.000 0.775 100 P CB 0.413 32.146 31.700 0.054 0.000 0.854 112 P HA 0.752 nan 4.420 nan 0.000 0.321 112 P C 0.134 177.440 177.300 0.010 0.000 1.304 112 P CA -0.558 62.547 63.100 0.010 0.000 0.759 112 P CB 0.034 31.738 31.700 0.007 0.000 1.385 113 G N -2.636 106.170 108.800 0.011 0.000 2.477 113 G HA2 0.567 4.527 3.960 0.000 0.000 0.304 113 G HA3 0.567 4.527 3.960 0.000 0.000 0.304 113 G C -0.316 174.587 174.900 0.005 0.000 1.175 113 G CA -0.272 44.835 45.100 0.011 0.000 0.907 113 G HN 0.867 nan 8.290 nan 0.000 0.509 114 G N -1.311 107.490 108.800 0.002 0.000 2.592 114 G HA2 0.342 4.303 3.960 0.000 0.000 0.685 114 G HA3 0.342 4.303 3.960 0.000 0.000 0.685 114 G C -0.962 173.936 174.900 -0.003 0.000 1.278 114 G CA -0.362 44.734 45.100 -0.007 0.000 0.822 114 G HN 1.409 nan 8.290 nan 0.000 0.652 115 L N 1.160 122.378 121.223 -0.008 0.000 2.331 115 L HA 0.715 5.055 4.340 0.000 0.000 0.278 115 L C 1.480 178.362 176.870 0.020 0.000 1.106 115 L CA -0.187 54.655 54.840 0.004 0.000 0.824 115 L CB 0.698 42.754 42.059 -0.005 0.000 1.142 115 L HN 0.676 nan 8.230 nan 0.000 0.443 116 R N 2.528 123.052 120.500 0.040 0.000 2.225 116 R HA 0.307 4.647 4.340 0.000 0.000 0.194 116 R C -0.387 175.982 176.300 0.115 0.000 0.957 116 R CA 0.252 56.388 56.100 0.059 0.000 1.042 116 R CB 0.453 30.791 30.300 0.063 0.000 1.004 116 R HN 0.661 nan 8.270 nan 0.000 0.509 117 E N -0.008 120.273 120.200 0.134 0.000 2.347 117 E HA 0.137 4.487 4.350 0.000 0.000 0.285 117 E C -0.211 176.492 176.600 0.173 0.000 0.925 117 E CA -0.243 56.285 56.400 0.213 0.000 0.779 117 E CB 2.279 32.103 29.700 0.207 0.000 1.233 117 E HN -0.086 nan 8.360 nan 0.000 0.414 118 L N 1.785 123.158 121.223 0.251 0.000 2.201 118 L HA -0.139 4.201 4.340 0.000 0.000 0.212 118 L C 0.863 177.804 176.870 0.118 0.000 1.105 118 L CA 0.844 55.823 54.840 0.232 0.000 0.775 118 L CB -0.105 42.218 42.059 0.440 0.000 0.913 118 L HN 0.655 nan 8.230 nan 0.000 0.440 119 Q N -0.489 119.406 119.800 0.158 0.000 2.450 119 Q HA -0.231 4.109 4.340 0.000 0.000 0.255 119 Q C 0.353 176.190 176.000 -0.271 0.000 1.003 119 Q CA 0.853 56.656 55.803 -0.000 0.000 1.097 119 Q CB -2.014 26.705 28.738 -0.031 0.000 1.544 119 Q HN 0.508 nan 8.270 nan 0.000 0.531 120 L N 1.151 121.995 121.223 -0.631 0.000 2.821 120 L HA 0.055 4.395 4.340 0.000 0.000 0.239 120 L C 1.889 177.806 176.870 -1.588 0.000 1.391 120 L CA 0.020 54.163 54.840 -1.160 0.000 1.231 120 L CB -0.203 41.048 42.059 -1.347 0.000 1.598 120 L HN 0.185 nan 8.230 nan 0.000 0.428 121 R N -1.516 118.464 120.500 -0.867 0.000 2.193 121 R HA -0.081 4.259 4.340 0.000 0.000 0.229 121 R C 1.521 177.633 176.300 -0.313 0.000 1.110 121 R CA 1.175 56.964 56.100 -0.518 0.000 0.988 121 R CB -0.450 29.758 30.300 -0.153 0.000 0.871 121 R HN 0.268 nan 8.270 nan 0.000 0.458 122 S N 0.785 116.296 115.700 -0.316 0.000 2.556 122 S HA 0.105 4.575 4.470 0.000 0.000 0.216 122 S C 0.266 174.766 174.600 -0.168 0.000 0.970 122 S CA -0.498 57.595 58.200 -0.177 0.000 0.912 122 S CB 0.187 63.305 63.200 -0.136 0.000 0.790 122 S HN 0.115 nan 8.310 nan 0.000 0.504 123 L N 2.800 123.848 121.223 -0.291 0.000 2.515 123 L HA 0.293 4.633 4.340 0.000 0.000 0.281 123 L C 0.699 177.560 176.870 -0.014 0.000 1.131 123 L CA 0.963 55.696 54.840 -0.179 0.000 0.905 123 L CB -0.011 41.876 42.059 -0.286 0.000 1.246 123 L HN -0.053 nan 8.230 nan 0.000 0.463 124 T N 2.310 116.874 114.554 0.016 0.000 3.016 124 T HA 0.235 4.585 4.350 0.000 0.000 0.271 124 T C -0.434 174.312 174.700 0.077 0.000 0.968 124 T CA 0.004 62.135 62.100 0.051 0.000 0.891 124 T CB 0.126 69.009 68.868 0.025 0.000 1.149 124 T HN 0.548 nan 8.240 nan 0.000 0.524 125 E N 1.142 121.396 120.200 0.090 0.000 2.274 125 E HA 0.502 4.852 4.350 0.000 0.000 0.269 125 E C -1.627 175.068 176.600 0.158 0.000 0.891 125 E CA -0.423 56.053 56.400 0.127 0.000 0.784 125 E CB 0.870 30.624 29.700 0.089 0.000 1.225 125 E HN 0.235 nan 8.360 nan 0.000 0.412 126 I N 6.572 127.290 120.570 0.247 0.000 2.389 126 I HA 0.235 4.405 4.170 0.000 0.000 0.288 126 I C 0.879 177.125 176.117 0.215 0.000 0.999 126 I CA -0.532 60.925 61.300 0.261 0.000 1.129 126 I CB 1.383 39.643 38.000 0.434 0.000 1.288 126 I HN 0.598 nan 8.210 nan 0.000 0.444 127 L N 4.854 126.130 121.223 0.087 0.000 2.095 127 L HA 0.128 4.468 4.340 0.000 0.000 0.204 127 L C 0.625 177.494 176.870 -0.002 0.000 1.080 127 L CA 1.127 55.955 54.840 -0.020 0.000 0.759 127 L CB -0.209 41.761 42.059 -0.148 0.000 0.914 127 L HN 0.531 nan 8.230 nan 0.000 0.439 128 K N -0.794 119.611 120.400 0.008 0.000 2.469 128 K HA 0.564 4.884 4.320 0.000 0.000 0.254 128 K C -0.511 176.074 176.600 -0.024 0.000 0.939 128 K CA -0.191 56.082 56.287 -0.022 0.000 0.812 128 K CB 2.461 34.946 32.500 -0.025 0.000 1.301 128 K HN 0.082 nan 8.250 nan 0.000 0.433 129 G N 0.487 109.224 108.800 -0.105 0.000 2.712 129 G HA2 -0.022 3.938 3.960 0.000 0.000 0.686 129 G HA3 -0.022 3.938 3.960 0.000 0.000 0.686 129 G C -0.067 174.731 174.900 -0.170 0.000 1.321 129 G CA -0.565 44.463 45.100 -0.119 0.000 0.813 129 G HN 0.824 nan 8.290 nan 0.000 0.599 130 G N -1.477 107.241 108.800 -0.136 0.000 2.782 130 G HA2 0.822 4.782 3.960 0.000 0.000 0.201 130 G HA3 0.822 4.782 3.960 0.000 0.000 0.201 130 G C -0.596 174.473 174.900 0.281 0.000 1.374 130 G CA 0.096 45.184 45.100 -0.019 0.000 1.039 130 G HN 1.599 nan 8.290 nan 0.000 0.576 131 V N 0.120 120.192 119.914 0.263 0.000 2.577 131 V HA 0.519 4.640 4.120 0.000 0.000 0.303 131 V C -1.239 174.768 176.094 -0.146 0.000 1.042 131 V CA -0.500 61.781 62.300 -0.031 0.000 0.872 131 V CB 1.628 33.129 31.823 -0.537 0.000 0.998 131 V HN 0.561 nan 8.190 nan 0.000 0.423 132 L N 6.998 128.029 121.223 -0.320 0.000 2.415 132 L HA 0.669 5.009 4.340 0.000 0.000 0.268 132 L C -1.004 175.665 176.870 -0.335 0.000 0.984 132 L CA 0.217 54.734 54.840 -0.537 0.000 0.853 132 L CB 1.147 42.485 42.059 -1.202 0.000 1.215 132 L HN 0.591 nan 8.230 nan 0.000 0.419 133 I N 5.397 125.821 120.570 -0.244 0.000 2.437 133 I HA 0.441 4.611 4.170 0.000 0.000 0.279 133 I C -0.615 175.425 176.117 -0.129 0.000 1.028 133 I CA -0.288 60.918 61.300 -0.156 0.000 1.142 133 I CB 1.029 38.972 38.000 -0.094 0.000 1.266 133 I HN 0.530 nan 8.210 nan 0.000 0.461 134 Q N 4.872 124.592 119.800 -0.134 0.000 2.484 134 Q HA 0.526 4.866 4.340 0.000 0.000 0.285 134 Q C -0.361 175.577 176.000 -0.103 0.000 1.097 134 Q CA -1.169 54.570 55.803 -0.107 0.000 0.802 134 Q CB 2.057 30.732 28.738 -0.105 0.000 1.444 134 Q HN 0.466 nan 8.270 nan 0.000 0.429 135 R N 0.877 121.328 120.500 -0.081 0.000 3.109 135 R HA -0.163 4.178 4.340 0.000 0.000 0.241 135 R C -0.657 175.592 176.300 -0.086 0.000 0.882 135 R CA 0.379 56.432 56.100 -0.078 0.000 0.604 135 R CB -1.598 28.652 30.300 -0.083 0.000 1.040 135 R HN 0.411 nan 8.270 nan 0.000 0.480 136 N N 0.403 119.061 118.700 -0.069 0.000 2.800 136 N HA 0.145 4.885 4.740 0.000 0.000 0.240 136 N C -2.074 173.409 175.510 -0.044 0.000 1.096 136 N CA -1.723 51.292 53.050 -0.059 0.000 0.877 136 N CB 1.744 40.201 38.487 -0.051 0.000 1.138 136 N HN 0.027 nan 8.380 nan 0.000 0.509 137 P HA -0.033 nan 4.420 nan 0.000 0.223 137 P C 0.828 178.107 177.300 -0.034 0.000 1.151 137 P CA 1.165 64.244 63.100 -0.035 0.000 0.787 137 P CB 0.555 32.238 31.700 -0.028 0.000 0.788 138 Q N -1.559 118.224 119.800 -0.028 0.000 2.217 138 Q HA 0.202 4.542 4.340 0.000 0.000 0.217 138 Q C 0.158 176.144 176.000 -0.023 0.000 0.844 138 Q CA -0.306 55.483 55.803 -0.023 0.000 0.957 138 Q CB 0.197 28.929 28.738 -0.009 0.000 1.127 138 Q HN 0.245 nan 8.270 nan 0.000 0.503 139 L N 1.122 122.329 121.223 -0.026 0.000 2.290 139 L HA 0.277 4.617 4.340 0.000 0.000 0.284 139 L C -0.764 176.071 176.870 -0.058 0.000 1.078 139 L CA -0.032 54.802 54.840 -0.011 0.000 0.815 139 L CB 0.726 42.789 42.059 0.007 0.000 1.162 139 L HN 0.001 nan 8.230 nan 0.000 0.435 140 c N 3.562 122.105 118.600 -0.095 0.000 2.595 140 c HA 0.548 5.118 4.570 0.000 0.000 0.338 140 c C 0.321 174.276 174.090 -0.226 0.000 1.219 140 c CA -0.307 55.815 56.329 -0.344 0.000 1.811 140 c CB 0.941 42.976 42.510 -0.791 0.000 2.313 140 c HN 0.999 nan 8.230 nan 0.000 0.499 141 Y N -1.281 119.015 120.300 -0.007 0.000 4.539 141 Y HA -0.326 4.224 4.550 0.000 0.000 0.310 141 Y C 2.231 178.094 175.900 -0.062 0.000 1.063 141 Y CA 1.039 59.111 58.100 -0.046 0.000 1.767 141 Y CB -1.343 37.090 38.460 -0.046 0.000 0.963 141 Y HN 0.779 nan 8.280 nan 0.000 0.425 142 Q N 2.057 121.927 119.800 0.116 0.000 2.364 142 Q HA -0.149 4.192 4.340 0.000 0.000 0.209 142 Q C 0.859 176.975 176.000 0.194 0.000 0.977 142 Q CA 2.079 57.992 55.803 0.183 0.000 0.885 142 Q CB -0.386 28.475 28.738 0.205 0.000 0.941 142 Q HN 0.791 nan 8.270 nan 0.000 0.464 143 D N -0.750 119.706 120.400 0.094 0.000 2.368 143 D HA 0.061 4.701 4.640 0.000 0.000 0.218 143 D C 0.681 176.988 176.300 0.010 0.000 1.112 143 D CA 0.036 54.092 54.000 0.094 0.000 0.834 143 D CB 0.323 41.150 40.800 0.045 0.000 0.953 143 D HN 0.017 nan 8.370 nan 0.000 0.505 144 T N 0.073 114.584 114.554 -0.072 0.000 2.990 144 T HA 0.167 4.518 4.350 0.000 0.000 0.249 144 T C 0.844 175.346 174.700 -0.330 0.000 1.039 144 T CA -0.259 61.755 62.100 -0.144 0.000 1.036 144 T CB 0.467 69.283 68.868 -0.086 0.000 0.994 144 T HN 0.043 nan 8.240 nan 0.000 0.489 145 I N 2.580 122.824 120.570 -0.544 0.000 2.588 145 I HA 0.143 4.313 4.170 0.000 0.000 0.283 145 I C 0.379 175.980 176.117 -0.860 0.000 1.119 145 I CA -0.493 60.217 61.300 -0.983 0.000 1.419 145 I CB 0.620 37.550 38.000 -1.783 0.000 1.394 145 I HN 0.147 nan 8.210 nan 0.000 0.562 146 L N 7.148 127.976 121.223 -0.659 0.000 2.387 146 L HA 0.059 4.399 4.340 0.000 0.000 0.267 146 L C 0.433 177.039 176.870 -0.441 0.000 1.197 146 L CA -0.104 54.496 54.840 -0.400 0.000 1.070 146 L CB -0.150 41.763 42.059 -0.243 0.000 1.349 146 L HN 0.710 nan 8.230 nan 0.000 0.422 147 W N 2.330 123.480 121.300 -0.251 0.000 2.325 147 W HA -0.264 4.396 4.660 0.000 0.000 0.299 147 W C 2.290 178.488 176.519 -0.534 0.000 1.215 147 W CA 0.769 57.818 57.345 -0.494 0.000 1.244 147 W CB -0.191 28.932 29.460 -0.562 0.000 1.140 147 W HN 0.464 nan 8.180 nan 0.000 0.523 148 K N 0.283 120.680 120.400 -0.005 0.000 2.117 148 K HA -0.342 3.979 4.320 0.000 0.000 0.215 148 K C 1.505 178.129 176.600 0.040 0.000 1.053 148 K CA 2.386 58.725 56.287 0.087 0.000 0.935 148 K CB -0.536 32.004 32.500 0.067 0.000 0.719 148 K HN 0.143 nan 8.250 nan 0.000 0.460 149 D N -0.361 120.012 120.400 -0.044 0.000 2.144 149 D HA -0.080 4.560 4.640 0.000 0.000 0.200 149 D C 1.780 178.083 176.300 0.005 0.000 0.978 149 D CA 1.012 54.994 54.000 -0.030 0.000 0.833 149 D CB 0.164 40.920 40.800 -0.073 0.000 0.961 149 D HN 0.215 nan 8.370 nan 0.000 0.470 150 I N -0.481 120.065 120.570 -0.040 0.000 2.333 150 I HA -0.071 4.099 4.170 0.000 0.000 0.246 150 I C 0.477 176.708 176.117 0.190 0.000 1.106 150 I CA 0.018 61.347 61.300 0.048 0.000 1.411 150 I CB -0.212 37.820 38.000 0.053 0.000 1.082 150 I HN -0.072 nan 8.210 nan 0.000 0.420 151 F N 1.767 121.841 119.950 0.206 0.000 2.629 151 F HA -0.088 4.439 4.527 0.000 0.000 0.377 151 F C 1.357 177.249 175.800 0.153 0.000 1.101 151 F CA -0.117 57.992 58.000 0.181 0.000 1.301 151 F CB -0.046 39.053 39.000 0.166 0.000 1.062 151 F HN 0.179 nan 8.300 nan 0.000 0.583 152 H N 4.073 123.296 119.070 0.255 0.000 2.836 152 H HA -0.041 4.515 4.556 0.000 0.000 0.368 152 H C 1.190 176.587 175.328 0.116 0.000 1.164 152 H CA 0.239 56.368 56.048 0.135 0.000 1.425 152 H CB 0.829 30.639 29.762 0.080 0.000 1.414 152 H HN 0.725 nan 8.280 nan 0.000 0.614 153 K N 2.220 122.286 120.400 -0.556 0.000 2.173 153 K HA -0.171 4.149 4.320 0.000 0.000 0.207 153 K C 0.402 176.969 176.600 -0.055 0.000 1.046 153 K CA 1.705 57.819 56.287 -0.287 0.000 0.929 153 K CB 0.121 32.405 32.500 -0.360 0.000 0.720 153 K HN 0.535 nan 8.250 nan 0.000 0.453 154 N N 0.675 119.454 118.700 0.132 0.000 2.320 154 N HA -0.008 4.732 4.740 0.000 0.000 0.237 154 N C -0.256 175.338 175.510 0.141 0.000 1.129 154 N CA 0.204 53.360 53.050 0.177 0.000 0.854 154 N CB 0.719 39.345 38.487 0.232 0.000 1.083 154 N HN 0.244 nan 8.380 nan 0.000 0.504 155 N N -0.227 118.543 118.700 0.117 0.000 2.167 155 N HA 0.070 4.810 4.740 0.000 0.000 0.234 155 N C 0.968 176.452 175.510 -0.044 0.000 1.312 155 N CA 0.087 53.148 53.050 0.019 0.000 0.861 155 N CB 0.479 39.006 38.487 0.066 0.000 1.217 155 N HN -0.225 nan 8.380 nan 0.000 0.504 156 Q N 0.348 120.177 119.800 0.049 0.000 2.124 156 Q HA 0.116 4.456 4.340 0.000 0.000 0.202 156 Q C 1.258 177.274 176.000 0.027 0.000 0.977 156 Q CA 1.106 56.967 55.803 0.096 0.000 0.850 156 Q CB -0.202 28.595 28.738 0.097 0.000 0.901 156 Q HN 0.475 nan 8.270 nan 0.000 0.429 157 L N 0.274 121.483 121.223 -0.022 0.000 2.642 157 L HA 0.010 4.350 4.340 0.000 0.000 0.236 157 L C 0.546 177.350 176.870 -0.109 0.000 1.169 157 L CA -0.243 54.572 54.840 -0.042 0.000 0.851 157 L CB -0.703 41.333 42.059 -0.038 0.000 0.968 157 L HN 0.009 nan 8.230 nan 0.000 0.453 158 A N 0.673 123.358 122.820 -0.225 0.000 2.520 158 A HA 0.226 4.546 4.320 0.000 0.000 0.245 158 A C 0.139 177.578 177.584 -0.243 0.000 1.072 158 A CA -0.301 51.484 52.037 -0.420 0.000 0.761 158 A CB -0.004 18.340 19.000 -1.093 0.000 1.004 158 A HN 0.188 nan 8.150 nan 0.000 0.499 159 L N 2.349 123.462 121.223 -0.183 0.000 2.490 159 L HA 0.209 4.549 4.340 0.000 0.000 0.274 159 L C 0.379 177.290 176.870 0.068 0.000 1.201 159 L CA 0.728 55.535 54.840 -0.054 0.000 0.869 159 L CB 0.684 42.676 42.059 -0.111 0.000 1.123 159 L HN 0.757 nan 8.230 nan 0.000 0.484 160 T N 5.062 119.681 114.554 0.109 0.000 3.031 160 T HA 0.430 4.781 4.350 0.000 0.000 0.305 160 T C -1.139 173.583 174.700 0.037 0.000 0.985 160 T CA -0.345 61.803 62.100 0.080 0.000 1.008 160 T CB 1.284 70.211 68.868 0.099 0.000 1.005 160 T HN 0.164 nan 8.240 nan 0.000 0.444 161 L N 5.648 126.867 121.223 -0.007 0.000 2.492 161 L HA 0.624 4.964 4.340 0.000 0.000 0.258 161 L C -1.393 175.423 176.870 -0.091 0.000 1.028 161 L CA -0.575 54.253 54.840 -0.020 0.000 0.900 161 L CB 0.423 42.497 42.059 0.026 0.000 1.191 161 L HN 0.656 nan 8.230 nan 0.000 0.459 162 I N 2.532 123.063 120.570 -0.066 0.000 2.436 162 I HA 0.322 4.492 4.170 0.000 0.000 0.289 162 I C -0.720 175.381 176.117 -0.028 0.000 1.010 162 I CA -0.692 60.571 61.300 -0.062 0.000 1.098 162 I CB 2.249 40.223 38.000 -0.043 0.000 1.266 162 I HN 0.459 nan 8.210 nan 0.000 0.434 163 D N 3.499 123.877 120.400 -0.037 0.000 2.168 163 D HA 0.364 5.004 4.640 0.000 0.000 0.246 163 D C 0.505 176.790 176.300 -0.025 0.000 1.050 163 D CA -0.344 53.637 54.000 -0.032 0.000 0.857 163 D CB 1.553 42.325 40.800 -0.045 0.000 1.169 163 D HN 0.620 nan 8.370 nan 0.000 0.453 164 T N 0.064 114.604 114.554 -0.024 0.000 3.091 164 T HA 0.230 4.580 4.350 0.000 0.000 0.277 164 T C 0.526 175.202 174.700 -0.039 0.000 0.996 164 T CA -0.619 61.463 62.100 -0.030 0.000 0.897 164 T CB -0.759 68.093 68.868 -0.027 0.000 1.109 164 T HN 0.313 nan 8.240 nan 0.000 0.534 165 N N 1.687 120.365 118.700 -0.035 0.000 2.357 165 N HA 0.215 4.955 4.740 0.000 0.000 0.257 165 N C 0.630 176.114 175.510 -0.042 0.000 1.250 165 N CA 0.300 53.328 53.050 -0.037 0.000 0.862 165 N CB 0.559 39.027 38.487 -0.032 0.000 1.066 165 N HN 0.385 nan 8.380 nan 0.000 0.468 166 R N 0.832 121.305 120.500 -0.045 0.000 2.792 166 R HA 0.543 4.883 4.340 0.000 0.000 0.100 166 R C -0.087 176.188 176.300 -0.041 0.000 0.904 166 R CA -0.724 55.347 56.100 -0.049 0.000 0.707 166 R CB 0.463 30.724 30.300 -0.065 0.000 0.663 166 R HN 0.469 nan 8.270 nan 0.000 0.354 167 S N -1.176 114.497 115.700 -0.043 0.000 4.530 167 S HA -0.018 4.453 4.470 0.000 0.000 0.055 167 S C -1.309 173.269 174.600 -0.036 0.000 0.852 167 S CA -0.161 58.019 58.200 -0.034 0.000 1.039 167 S CB -0.032 63.153 63.200 -0.026 0.000 0.509 167 S HN 0.510 nan 8.310 nan 0.000 0.791 168 R N 0.834 121.306 120.500 -0.048 0.000 2.725 168 R HA 0.892 5.232 4.340 0.000 0.000 0.277 168 R C -0.602 175.646 176.300 -0.086 0.000 0.987 168 R CA -0.486 55.581 56.100 -0.054 0.000 0.901 168 R CB 1.404 31.680 30.300 -0.039 0.000 1.207 168 R HN 0.130 nan 8.270 nan 0.000 0.463 169 A N 2.361 125.119 122.820 -0.103 0.000 2.409 169 A HA 0.416 4.736 4.320 0.000 0.000 0.267 169 A C -0.241 177.210 177.584 -0.221 0.000 1.127 169 A CA -0.607 51.336 52.037 -0.156 0.000 0.795 169 A CB 0.155 19.055 19.000 -0.167 0.000 1.061 169 A HN 0.795 nan 8.150 nan 0.000 0.502 170 c N 3.241 121.700 118.600 -0.235 0.000 2.365 170 c HA 0.486 5.056 4.570 0.000 0.000 0.351 170 c C 0.629 174.551 174.090 -0.279 0.000 1.240 170 c CA -0.697 55.472 56.329 -0.265 0.000 2.062 170 c CB -0.288 42.017 42.510 -0.343 0.000 2.387 170 c HN 0.850 nan 8.230 nan 0.000 0.537 171 H N 1.558 120.591 119.070 -0.062 0.000 2.547 171 H HA 0.281 4.837 4.556 0.000 0.000 0.362 171 H C -1.942 173.420 175.328 0.057 0.000 1.181 171 H CA -0.839 55.215 56.048 0.011 0.000 1.376 171 H CB 0.269 30.062 29.762 0.053 0.000 1.488 171 H HN 0.458 nan 8.280 nan 0.000 0.583 172 P HA 0.022 nan 4.420 nan 0.000 0.272 172 P C -0.086 177.358 177.300 0.240 0.000 1.240 172 P CA -0.425 62.771 63.100 0.160 0.000 0.791 172 P CB 0.495 32.249 31.700 0.091 0.000 0.978 173 c N 0.420 119.137 118.600 0.195 0.000 2.692 173 c HA 0.053 4.623 4.570 0.000 0.000 0.409 173 c C 1.509 175.605 174.090 0.010 0.000 1.284 173 c CA 0.150 56.515 56.329 0.059 0.000 1.909 173 c CB -0.786 41.709 42.510 -0.026 0.000 2.713 173 c HN 0.630 nan 8.230 nan 0.000 0.649 174 S N 2.931 118.603 115.700 -0.047 0.000 2.593 174 S HA -0.006 4.464 4.470 0.000 0.000 0.300 174 S C -1.216 173.364 174.600 -0.033 0.000 1.267 174 S CA -0.545 57.631 58.200 -0.041 0.000 1.065 174 S CB 0.355 63.517 63.200 -0.064 0.000 0.807 174 S HN 0.608 nan 8.310 nan 0.000 0.499 175 P HA -0.099 nan 4.420 nan 0.000 0.223 175 P C 1.171 178.455 177.300 -0.028 0.000 1.144 175 P CA 0.861 63.949 63.100 -0.020 0.000 0.783 175 P CB 0.075 31.765 31.700 -0.016 0.000 0.771 176 M N -1.617 117.963 119.600 -0.034 0.000 2.492 176 M HA 0.010 4.491 4.480 0.000 0.000 0.262 176 M C 0.079 176.354 176.300 -0.042 0.000 1.090 176 M CA 0.714 55.993 55.300 -0.035 0.000 1.110 176 M CB -0.422 32.156 32.600 -0.036 0.000 1.407 176 M HN -0.247 nan 8.290 nan 0.000 0.470 177 c N 1.749 120.318 118.600 -0.053 0.000 2.566 177 c HA 0.130 4.700 4.570 0.000 0.000 0.393 177 c C 1.859 175.912 174.090 -0.061 0.000 1.309 177 c CA -0.757 55.533 56.329 -0.066 0.000 1.801 177 c CB 0.097 42.553 42.510 -0.091 0.000 2.493 177 c HN 0.564 nan 8.230 nan 0.000 0.575 178 K N 2.762 123.126 120.400 -0.059 0.000 2.059 178 K HA -0.103 4.218 4.320 0.000 0.000 0.212 178 K C 1.209 177.777 176.600 -0.053 0.000 1.050 178 K CA 2.054 58.311 56.287 -0.051 0.000 0.927 178 K CB -0.215 32.256 32.500 -0.048 0.000 0.714 178 K HN 0.920 nan 8.250 nan 0.000 0.447 179 G N -1.799 106.960 108.800 -0.069 0.000 3.122 179 G HA2 0.168 4.128 3.960 0.000 0.000 0.180 179 G HA3 0.168 4.128 3.960 0.000 0.000 0.180 179 G C 0.029 174.886 174.900 -0.072 0.000 1.279 179 G CA 0.013 45.074 45.100 -0.066 0.000 0.987 179 G HN 0.209 nan 8.290 nan 0.000 0.589 180 S N -1.059 114.597 115.700 -0.074 0.000 2.727 180 S HA 0.125 4.595 4.470 0.000 0.000 0.226 180 S C 0.767 175.307 174.600 -0.101 0.000 0.963 180 S CA 0.117 58.276 58.200 -0.068 0.000 0.950 180 S CB -0.220 62.948 63.200 -0.052 0.000 0.779 180 S HN 0.354 nan 8.310 nan 0.000 0.532 181 R N 1.120 121.531 120.500 -0.148 0.000 2.265 181 R HA 0.625 4.965 4.340 0.000 0.000 0.328 181 R C -0.505 175.616 176.300 -0.299 0.000 0.969 181 R CA -0.275 55.678 56.100 -0.245 0.000 0.832 181 R CB 1.108 31.247 30.300 -0.268 0.000 1.139 181 R HN 0.593 nan 8.270 nan 0.000 0.457 182 c N -0.437 117.928 118.600 -0.391 0.000 3.318 182 c HA 0.531 5.101 4.570 0.000 0.000 0.322 182 c C -0.288 173.471 174.090 -0.551 0.000 1.398 182 c CA -1.202 54.872 56.329 -0.425 0.000 1.339 182 c CB 0.642 42.942 42.510 -0.349 0.000 1.668 182 c HN 1.074 nan 8.230 nan 0.000 0.462 183 W N 1.277 122.444 121.300 -0.221 0.000 3.239 183 W HA 0.547 5.208 4.660 0.000 0.000 0.348 183 W C 1.113 177.521 176.519 -0.185 0.000 1.183 183 W CA 0.671 57.924 57.345 -0.153 0.000 1.819 183 W CB 0.676 30.064 29.460 -0.120 0.000 1.091 183 W HN 1.352 nan 8.180 nan 0.000 0.629 184 G N 0.304 108.904 108.800 -0.334 0.000 2.315 184 G HA2 0.007 3.967 3.960 0.000 0.000 0.294 184 G HA3 0.007 3.967 3.960 0.000 0.000 0.294 184 G C 0.121 174.533 174.900 -0.813 0.000 1.300 184 G CA -0.110 44.738 45.100 -0.421 0.000 0.843 184 G HN 0.129 nan 8.290 nan 0.000 0.527 185 E N -0.596 119.356 120.200 -0.414 0.000 2.170 185 E HA 0.177 4.527 4.350 0.000 0.000 0.191 185 E C 1.207 177.706 176.600 -0.168 0.000 0.981 185 E CA 0.798 57.042 56.400 -0.260 0.000 0.830 185 E CB 0.114 29.829 29.700 0.025 0.000 0.775 185 E HN 0.321 nan 8.360 nan 0.000 0.470 186 S N 1.147 116.771 115.700 -0.127 0.000 2.562 186 S HA 0.008 4.478 4.470 0.000 0.000 0.281 186 S C 1.219 175.769 174.600 -0.083 0.000 1.333 186 S CA 0.245 58.397 58.200 -0.081 0.000 1.052 186 S CB 1.017 64.182 63.200 -0.057 0.000 0.884 186 S HN 0.448 nan 8.310 nan 0.000 0.506 187 S N 3.075 118.738 115.700 -0.061 0.000 2.484 187 S HA -0.111 4.359 4.470 0.000 0.000 0.250 187 S C 0.854 175.427 174.600 -0.045 0.000 0.995 187 S CA 1.073 59.242 58.200 -0.052 0.000 0.967 187 S CB -0.286 62.890 63.200 -0.040 0.000 0.752 187 S HN 0.799 nan 8.310 nan 0.000 0.517 188 E N 0.557 120.732 120.200 -0.042 0.000 2.444 188 E HA 0.128 4.479 4.350 0.000 0.000 0.191 188 E C -0.018 176.571 176.600 -0.019 0.000 1.041 188 E CA 0.096 56.477 56.400 -0.031 0.000 0.883 188 E CB 0.139 29.820 29.700 -0.031 0.000 1.024 188 E HN 0.605 nan 8.360 nan 0.000 0.470 189 D N -0.109 120.276 120.400 -0.026 0.000 2.500 189 D HA 0.059 4.699 4.640 0.000 0.000 0.217 189 D C 0.125 176.457 176.300 0.052 0.000 1.159 189 D CA -0.107 53.903 54.000 0.017 0.000 0.828 189 D CB 0.281 41.045 40.800 -0.060 0.000 1.039 189 D HN 0.046 nan 8.370 nan 0.000 0.512 190 c N 2.016 120.611 118.600 -0.009 0.000 2.611 190 c HA 0.038 4.608 4.570 0.000 0.000 0.416 190 c C 1.135 175.238 174.090 0.022 0.000 1.366 190 c CA -0.487 55.815 56.329 -0.045 0.000 1.761 190 c CB -0.574 41.904 42.510 -0.053 0.000 2.619 190 c HN 0.287 nan 8.230 nan 0.000 0.606 191 Q N 2.548 122.285 119.800 -0.105 0.000 2.289 191 Q HA 0.214 4.554 4.340 0.000 0.000 0.273 191 Q C 0.203 176.195 176.000 -0.014 0.000 1.029 191 Q CA 0.150 55.922 55.803 -0.052 0.000 0.896 191 Q CB 0.602 29.155 28.738 -0.308 0.000 1.182 191 Q HN 0.933 nan 8.270 nan 0.000 0.385 192 S N 4.616 120.345 115.700 0.048 0.000 2.480 192 S HA 0.494 4.964 4.470 0.000 0.000 0.286 192 S C -0.174 174.426 174.600 -0.000 0.000 1.180 192 S CA -0.910 57.295 58.200 0.009 0.000 1.075 192 S CB 0.859 64.067 63.200 0.013 0.000 0.996 192 S HN 0.604 nan 8.310 nan 0.000 0.487 193 L N 2.838 124.048 121.223 -0.022 0.000 2.325 193 L HA 0.457 4.797 4.340 0.000 0.000 0.279 193 L C 0.627 177.490 176.870 -0.012 0.000 1.054 193 L CA -0.512 54.311 54.840 -0.029 0.000 0.804 193 L CB 1.591 43.623 42.059 -0.045 0.000 1.200 193 L HN 0.866 nan 8.230 nan 0.000 0.436 194 T N 0.231 114.782 114.554 -0.006 0.000 3.087 194 T HA 0.174 4.524 4.350 0.000 0.000 0.283 194 T C 1.237 175.939 174.700 0.003 0.000 0.956 194 T CA -0.103 61.999 62.100 0.004 0.000 0.894 194 T CB 0.501 69.379 68.868 0.016 0.000 1.160 194 T HN 0.532 nan 8.240 nan 0.000 0.532 195 R N 0.728 121.227 120.500 -0.003 0.000 2.551 195 R HA 0.076 4.416 4.340 0.000 0.000 0.202 195 R C 1.775 178.069 176.300 -0.010 0.000 0.861 195 R CA 0.860 56.956 56.100 -0.006 0.000 1.018 195 R CB 0.386 30.686 30.300 0.000 0.000 1.435 195 R HN 0.275 nan 8.270 nan 0.000 0.659 196 T N -2.113 112.433 114.554 -0.012 0.000 3.107 196 T HA 0.146 4.496 4.350 0.000 0.000 0.249 196 T C 0.972 175.664 174.700 -0.015 0.000 1.096 196 T CA 0.124 62.216 62.100 -0.013 0.000 1.012 196 T CB 1.019 69.877 68.868 -0.017 0.000 0.977 196 T HN -0.031 nan 8.240 nan 0.000 0.527 197 V N 0.746 120.652 119.914 -0.015 0.000 3.159 197 V HA 0.353 4.473 4.120 0.000 0.000 0.333 197 V C 0.122 176.210 176.094 -0.011 0.000 1.424 197 V CA -0.589 61.702 62.300 -0.015 0.000 1.125 197 V CB -0.422 31.390 31.823 -0.019 0.000 1.075 197 V HN 0.617 nan 8.190 nan 0.000 0.482 198 c N 0.774 119.368 118.600 -0.010 0.000 2.407 198 c HA 0.846 5.416 4.570 0.000 0.000 0.366 198 c C 0.731 174.816 174.090 -0.008 0.000 1.213 198 c CA -0.896 55.428 56.329 -0.008 0.000 2.011 198 c CB 1.363 43.869 42.510 -0.007 0.000 2.306 198 c HN 0.516 nan 8.230 nan 0.000 0.527 199 A N 1.327 124.142 122.820 -0.007 0.000 2.289 199 A HA 0.650 4.970 4.320 0.000 0.000 0.298 199 A C 0.750 178.329 177.584 -0.008 0.000 1.208 199 A CA 0.732 52.764 52.037 -0.007 0.000 0.845 199 A CB -0.579 18.417 19.000 -0.007 0.000 1.125 199 A HN 2.228 nan 8.150 nan 0.000 0.517 200 G N 2.042 110.837 108.800 -0.008 0.000 2.578 200 G HA2 0.077 4.037 3.960 0.000 0.000 0.275 200 G HA3 0.077 4.037 3.960 0.000 0.000 0.275 200 G C 0.762 175.657 174.900 -0.009 0.000 1.271 200 G CA 0.205 45.301 45.100 -0.007 0.000 0.941 200 G HN 2.040 nan 8.290 nan 0.000 0.564 201 G N -0.767 108.028 108.800 -0.009 0.000 3.101 201 G HA2 0.437 4.397 3.960 0.000 0.000 0.272 201 G HA3 0.437 4.397 3.960 0.000 0.000 0.272 201 G C 0.006 174.898 174.900 -0.013 0.000 0.801 201 G CA 0.785 45.880 45.100 -0.010 0.000 1.978 201 G HN 1.035 nan 8.290 nan 0.000 0.591 202 c N 1.487 120.079 118.600 -0.014 0.000 2.351 202 c HA 0.641 5.212 4.570 0.000 0.000 0.326 202 c C 1.619 175.697 174.090 -0.019 0.000 1.272 202 c CA 0.019 56.339 56.329 -0.015 0.000 1.650 202 c CB 1.000 43.503 42.510 -0.011 0.000 2.257 202 c HN 0.744 nan 8.230 nan 0.000 0.505 203 A N 4.762 127.571 122.820 -0.018 0.000 1.930 203 A HA 0.228 4.548 4.320 0.000 0.000 0.215 203 A C 0.969 178.543 177.584 -0.018 0.000 1.176 203 A CA 1.162 53.178 52.037 -0.035 0.000 0.632 203 A CB 0.137 19.119 19.000 -0.030 0.000 0.819 203 A HN 0.789 nan 8.150 nan 0.000 0.445 204 R N -1.652 118.851 120.500 0.005 0.000 2.668 204 R HA 0.505 4.845 4.340 0.000 0.000 0.272 204 R C -1.081 175.229 176.300 0.017 0.000 1.019 204 R CA 0.092 56.202 56.100 0.017 0.000 0.894 204 R CB 1.202 31.524 30.300 0.036 0.000 1.228 204 R HN 0.614 nan 8.270 nan 0.000 0.460 205 c N -0.896 117.712 118.600 0.014 0.000 0.000 205 c HA 0.608 5.178 4.570 0.000 0.000 0.000 205 c C 0.532 174.629 174.090 0.011 0.000 0.000 205 c CA -0.854 55.482 56.329 0.012 0.000 0.000 205 c CB 1.873 44.386 42.510 0.005 0.000 0.000 205 c HN 0.968 nan 8.230 nan 0.000 0.000 206 K N 0.515 120.920 120.400 0.009 0.000 2.469 206 K HA 0.614 4.934 4.320 0.000 0.000 0.204 206 K C 0.388 176.988 176.600 0.001 0.000 1.047 206 K CA 0.565 56.855 56.287 0.006 0.000 1.072 206 K CB 0.639 33.144 32.500 0.008 0.000 0.863 206 K HN 1.748 nan 8.250 nan 0.000 0.530 207 G N 1.589 110.389 108.800 -0.001 0.000 2.321 207 G HA2 0.068 4.028 3.960 0.000 0.000 0.298 207 G HA3 0.068 4.028 3.960 0.000 0.000 0.298 207 G C -2.887 172.010 174.900 -0.005 0.000 1.385 207 G CA -0.894 44.203 45.100 -0.004 0.000 0.856 207 G HN -0.192 nan 8.290 nan 0.000 0.584 208 P HA 0.108 nan 4.420 nan 0.000 0.233 208 P C 0.693 177.989 177.300 -0.006 0.000 1.167 208 P CA 0.416 63.511 63.100 -0.008 0.000 0.770 208 P CB 0.276 31.970 31.700 -0.009 0.000 0.837 209 L N -0.001 121.219 121.223 -0.005 0.000 2.399 209 L HA 0.282 4.622 4.340 0.000 0.000 0.265 209 L C -1.094 175.773 176.870 -0.004 0.000 1.089 209 L CA -2.445 52.392 54.840 -0.004 0.000 0.802 209 L CB 0.373 42.429 42.059 -0.004 0.000 1.180 209 L HN -0.331 nan 8.230 nan 0.000 0.454 210 P HA -0.184 nan 4.420 nan 0.000 0.216 210 P C 1.448 178.746 177.300 -0.004 0.000 1.150 210 P CA 1.559 64.656 63.100 -0.005 0.000 0.843 210 P CB -0.016 31.680 31.700 -0.006 0.000 0.787 211 T N -4.594 109.959 114.554 -0.002 0.000 2.995 211 T HA -0.075 4.275 4.350 0.000 0.000 0.269 211 T C 1.354 176.056 174.700 0.003 0.000 1.091 211 T CA 0.964 63.064 62.100 0.000 0.000 1.128 211 T CB -0.798 68.070 68.868 -0.000 0.000 0.891 211 T HN 0.032 nan 8.240 nan 0.000 0.492 212 D N 0.493 120.895 120.400 0.002 0.000 2.347 212 D HA 0.099 4.739 4.640 0.000 0.000 0.215 212 D C 0.416 176.720 176.300 0.008 0.000 0.976 212 D CA 0.066 54.069 54.000 0.004 0.000 0.884 212 D CB -0.382 40.418 40.800 0.001 0.000 0.915 212 D HN 0.416 nan 8.370 nan 0.000 0.526 213 c N 1.494 120.098 118.600 0.006 0.000 2.653 213 c HA 0.100 4.670 4.570 0.000 0.000 0.421 213 c C 1.169 175.271 174.090 0.020 0.000 1.334 213 c CA -0.834 55.500 56.329 0.007 0.000 1.885 213 c CB -0.279 42.229 42.510 -0.003 0.000 2.645 213 c HN 0.340 nan 8.230 nan 0.000 0.601 214 c N 3.448 122.066 118.600 0.031 0.000 2.539 214 c HA 0.211 4.781 4.570 0.000 0.000 0.392 214 c C 0.732 174.867 174.090 0.076 0.000 1.269 214 c CA -0.344 56.023 56.329 0.064 0.000 2.250 214 c CB -0.626 41.925 42.510 0.069 0.000 2.584 214 c HN 0.944 nan 8.230 nan 0.000 0.589 215 H N 1.380 120.466 119.070 0.026 0.000 3.058 215 H HA -0.055 4.502 4.556 0.000 0.000 0.347 215 H C 1.500 176.860 175.328 0.054 0.000 1.087 215 H CA 1.272 57.343 56.048 0.038 0.000 1.375 215 H CB 0.643 30.440 29.762 0.059 0.000 1.312 215 H HN 0.807 nan 8.280 nan 0.000 0.607 216 E N 2.399 122.519 120.200 -0.132 0.000 2.347 216 E HA -0.197 4.153 4.350 0.000 0.000 0.196 216 E C 0.728 177.440 176.600 0.187 0.000 1.008 216 E CA 0.658 57.069 56.400 0.018 0.000 0.852 216 E CB 0.246 29.909 29.700 -0.061 0.000 0.783 216 E HN 0.628 nan 8.360 nan 0.000 0.505 217 Q N 0.156 120.195 119.800 0.398 0.000 2.408 217 Q HA 0.117 4.457 4.340 0.000 0.000 0.205 217 Q C 0.302 176.412 176.000 0.183 0.000 0.919 217 Q CA 0.079 56.072 55.803 0.318 0.000 0.932 217 Q CB -0.126 28.823 28.738 0.353 0.000 1.058 217 Q HN 0.252 nan 8.270 nan 0.000 0.517 218 c N 0.090 118.799 118.600 0.181 0.000 2.652 218 c HA 0.432 5.002 4.570 0.000 0.000 0.412 218 c C 1.756 175.887 174.090 0.068 0.000 1.294 218 c CA 0.160 56.553 56.329 0.105 0.000 2.127 218 c CB 0.664 43.241 42.510 0.112 0.000 2.691 218 c HN 0.509 nan 8.230 nan 0.000 0.615 219 A N 1.605 124.446 122.820 0.035 0.000 2.013 219 A HA 0.499 4.819 4.320 0.000 0.000 0.204 219 A C 1.665 179.282 177.584 0.054 0.000 1.262 219 A CA 0.932 52.989 52.037 0.033 0.000 0.800 219 A CB -0.279 18.703 19.000 -0.030 0.000 0.909 219 A HN 1.008 nan 8.150 nan 0.000 0.472 220 A N -1.439 121.404 122.820 0.039 0.000 2.469 220 A HA 0.575 4.895 4.320 0.000 0.000 0.245 220 A C 0.931 178.536 177.584 0.035 0.000 1.221 220 A CA 0.954 53.015 52.037 0.040 0.000 0.946 220 A CB -0.004 19.010 19.000 0.023 0.000 1.049 220 A HN 1.882 nan 8.150 nan 0.000 0.529 221 G N -1.623 107.198 108.800 0.035 0.000 2.369 221 G HA2 0.423 4.383 3.960 0.000 0.000 0.295 221 G HA3 0.423 4.383 3.960 0.000 0.000 0.295 221 G C -0.626 174.293 174.900 0.032 0.000 1.298 221 G CA -0.015 45.102 45.100 0.029 0.000 0.940 221 G HN 1.669 nan 8.290 nan 0.000 0.536 222 c N -3.141 115.475 118.600 0.028 0.000 3.320 222 c HA 0.875 5.445 4.570 0.000 0.000 0.335 222 c C 1.145 175.248 174.090 0.021 0.000 1.430 222 c CA 0.421 56.769 56.329 0.031 0.000 1.271 222 c CB 1.117 43.654 42.510 0.045 0.000 1.609 222 c HN 1.936 nan 8.230 nan 0.000 0.457 223 T N -2.369 112.198 114.554 0.020 0.000 3.040 223 T HA 0.606 4.956 4.350 0.000 0.000 0.266 223 T C 0.531 175.240 174.700 0.015 0.000 1.005 223 T CA 0.658 62.766 62.100 0.014 0.000 0.906 223 T CB 0.104 68.978 68.868 0.010 0.000 1.082 223 T HN 2.112 nan 8.240 nan 0.000 0.531 224 G N 1.600 110.413 108.800 0.022 0.000 2.488 224 G HA2 0.528 4.489 3.960 0.000 0.000 0.301 224 G HA3 0.528 4.489 3.960 0.000 0.000 0.301 224 G C -2.713 172.206 174.900 0.033 0.000 1.339 224 G CA -0.861 44.252 45.100 0.021 0.000 0.803 224 G HN -0.187 nan 8.290 nan 0.000 0.482 225 P HA 0.152 nan 4.420 nan 0.000 0.240 225 P C 0.196 177.544 177.300 0.080 0.000 1.190 225 P CA 0.579 63.705 63.100 0.044 0.000 0.781 225 P CB 0.148 31.862 31.700 0.024 0.000 0.931 226 K N -0.857 119.572 120.400 0.049 0.000 2.258 226 K HA 0.299 4.619 4.320 0.000 0.000 0.236 226 K C 1.205 177.786 176.600 -0.033 0.000 1.008 226 K CA -0.790 55.495 56.287 -0.003 0.000 0.869 226 K CB 0.188 32.627 32.500 -0.101 0.000 1.171 226 K HN -0.029 nan 8.250 nan 0.000 0.447 227 H N -0.881 118.014 119.070 -0.292 0.000 2.567 227 H HA -0.032 4.524 4.556 0.000 0.000 0.276 227 H C 0.407 175.631 175.328 -0.172 0.000 1.016 227 H CA 0.733 56.528 56.048 -0.423 0.000 1.186 227 H CB 0.029 29.347 29.762 -0.739 0.000 1.351 227 H HN 0.616 nan 8.280 nan 0.000 0.605 228 S N -0.287 115.529 115.700 0.193 0.000 2.556 228 S HA 0.008 4.479 4.470 0.000 0.000 0.216 228 S C 0.663 175.290 174.600 0.045 0.000 0.970 228 S CA -0.175 58.081 58.200 0.093 0.000 0.912 228 S CB 0.382 63.645 63.200 0.105 0.000 0.790 228 S HN 0.300 nan 8.310 nan 0.000 0.504 229 D N 0.994 121.421 120.400 0.045 0.000 2.431 229 D HA 0.278 4.918 4.640 0.000 0.000 0.213 229 D C -0.143 176.178 176.300 0.035 0.000 1.130 229 D CA -0.197 53.824 54.000 0.034 0.000 0.834 229 D CB 0.332 41.152 40.800 0.033 0.000 0.985 229 D HN 0.351 nan 8.370 nan 0.000 0.504 230 c N 1.088 119.712 118.600 0.040 0.000 2.676 230 c HA 0.142 4.712 4.570 0.000 0.000 0.416 230 c C 2.456 176.560 174.090 0.023 0.000 1.299 230 c CA -0.505 55.847 56.329 0.039 0.000 2.048 230 c CB 0.229 42.766 42.510 0.044 0.000 2.713 230 c HN 0.296 nan 8.230 nan 0.000 0.624 231 L N 1.726 122.961 121.223 0.020 0.000 2.141 231 L HA 0.062 4.402 4.340 0.000 0.000 0.209 231 L C 1.180 178.051 176.870 0.003 0.000 1.094 231 L CA 1.318 56.163 54.840 0.009 0.000 0.763 231 L CB -0.425 41.638 42.059 0.007 0.000 0.908 231 L HN 0.897 nan 8.230 nan 0.000 0.437 232 A N -2.141 120.682 122.820 0.006 0.000 2.610 232 A HA 0.505 4.825 4.320 0.000 0.000 0.291 232 A C -1.320 176.261 177.584 -0.005 0.000 1.086 232 A CA -0.692 51.341 52.037 -0.006 0.000 0.677 232 A CB 0.821 19.810 19.000 -0.018 0.000 1.278 232 A HN -0.029 nan 8.150 nan 0.000 0.414 233 c N 0.728 119.314 118.600 -0.023 0.000 2.405 233 c HA 0.406 4.976 4.570 0.000 0.000 0.365 233 c C 2.118 176.147 174.090 -0.102 0.000 1.233 233 c CA -0.340 55.973 56.329 -0.027 0.000 2.230 233 c CB 0.379 42.887 42.510 -0.003 0.000 2.443 233 c HN 0.846 nan 8.230 nan 0.000 0.556 234 L N 1.209 122.356 121.223 -0.127 0.000 2.093 234 L HA -0.090 4.250 4.340 0.000 0.000 0.208 234 L C 1.861 178.364 176.870 -0.610 0.000 1.085 234 L CA 1.748 56.367 54.840 -0.368 0.000 0.755 234 L CB -0.232 41.577 42.059 -0.416 0.000 0.904 234 L HN 0.809 nan 8.230 nan 0.000 0.435 235 H N -2.878 116.097 119.070 -0.159 0.000 2.809 235 H HA 0.268 4.825 4.556 0.000 0.000 0.150 235 H C -0.551 174.380 175.328 -0.662 0.000 1.073 235 H CA -0.044 55.763 56.048 -0.402 0.000 1.099 235 H CB 0.577 30.275 29.762 -0.106 0.000 1.078 235 H HN -0.048 nan 8.280 nan 0.000 0.337 236 F N 1.281 121.334 119.950 0.172 0.000 2.565 236 F HA 0.275 4.802 4.527 0.000 0.000 0.313 236 F C 0.162 176.006 175.800 0.073 0.000 1.091 236 F CA -1.024 57.034 58.000 0.096 0.000 0.915 236 F CB 1.723 40.776 39.000 0.088 0.000 1.208 236 F HN -0.001 nan 8.300 nan 0.000 0.453 237 N N 1.921 120.772 118.700 0.252 0.000 2.500 237 N HA 0.070 4.810 4.740 0.000 0.000 0.236 237 N C -1.322 174.317 175.510 0.216 0.000 1.022 237 N CA -0.234 52.915 53.050 0.166 0.000 0.935 237 N CB 0.042 38.592 38.487 0.104 0.000 1.147 237 N HN 0.539 nan 8.380 nan 0.000 0.512 238 H N 3.119 122.219 119.070 0.049 0.000 2.724 238 H HA 0.277 4.833 4.556 0.000 0.000 0.278 238 H C -0.072 175.250 175.328 -0.011 0.000 1.159 238 H CA -0.197 55.863 56.048 0.020 0.000 1.254 238 H CB -0.250 29.503 29.762 -0.015 0.000 1.412 238 H HN 0.551 nan 8.280 nan 0.000 0.488 239 S N 3.546 119.341 115.700 0.159 0.000 3.614 239 S HA -0.190 4.280 4.470 0.000 0.000 0.360 239 S C 1.216 175.785 174.600 -0.051 0.000 1.023 239 S CA 1.485 59.691 58.200 0.010 0.000 1.114 239 S CB -1.723 61.426 63.200 -0.086 0.000 0.907 239 S HN 1.603 nan 8.310 nan 0.000 0.470 240 G N -0.594 108.199 108.800 -0.011 0.000 2.143 240 G HA2 -0.265 3.695 3.960 0.000 0.000 0.249 240 G HA3 -0.265 3.695 3.960 0.000 0.000 0.249 240 G C -0.071 174.793 174.900 -0.059 0.000 0.981 240 G CA 0.232 45.318 45.100 -0.023 0.000 0.665 240 G HN 0.887 nan 8.290 nan 0.000 0.528 241 I N 0.511 121.020 120.570 -0.101 0.000 2.478 241 I HA 0.326 4.496 4.170 0.000 0.000 0.287 241 I C 0.461 176.497 176.117 -0.135 0.000 1.042 241 I CA -0.930 60.244 61.300 -0.210 0.000 1.067 241 I CB 1.876 39.633 38.000 -0.406 0.000 1.233 241 I HN 0.107 nan 8.210 nan 0.000 0.431 242 c N 5.711 124.251 118.600 -0.099 0.000 2.629 242 c HA 0.335 4.905 4.570 0.000 0.000 0.410 242 c C 0.286 174.383 174.090 0.012 0.000 1.339 242 c CA -0.313 56.017 56.329 0.002 0.000 1.810 242 c CB -1.093 41.437 42.510 0.034 0.000 2.549 242 c HN 0.632 nan 8.230 nan 0.000 0.589 243 E N 1.468 121.734 120.200 0.110 0.000 2.340 243 E HA 0.179 4.529 4.350 0.000 0.000 0.273 243 E C 0.189 176.915 176.600 0.209 0.000 0.891 243 E CA -0.816 55.645 56.400 0.102 0.000 0.757 243 E CB 1.687 31.411 29.700 0.041 0.000 1.231 243 E HN 0.403 nan 8.360 nan 0.000 0.439 244 L N 2.261 123.549 121.223 0.107 0.000 2.043 244 L HA -0.140 4.200 4.340 0.000 0.000 0.212 244 L C 0.772 177.769 176.870 0.212 0.000 1.075 244 L CA 2.082 56.969 54.840 0.077 0.000 0.752 244 L CB -0.409 41.633 42.059 -0.029 0.000 0.891 244 L HN 0.625 nan 8.230 nan 0.000 0.432 245 H N -4.459 114.697 119.070 0.144 0.000 3.016 245 H HA 0.314 4.870 4.556 0.000 0.000 0.362 245 H C -0.811 174.392 175.328 -0.208 0.000 1.233 245 H CA -1.133 54.868 56.048 -0.077 0.000 1.124 245 H CB 0.259 29.957 29.762 -0.106 0.000 1.850 245 H HN -0.051 nan 8.280 nan 0.000 0.549 246 c N 2.011 120.439 118.600 -0.286 0.000 2.656 246 c HA 0.243 4.813 4.570 0.000 0.000 0.391 246 c C -1.862 172.164 174.090 -0.107 0.000 1.300 246 c CA -0.625 55.525 56.329 -0.298 0.000 2.302 246 c CB -0.166 42.091 42.510 -0.421 0.000 2.655 246 c HN 0.591 nan 8.230 nan 0.000 0.656 247 P HA 0.263 nan 4.420 nan 0.000 0.271 247 P C -0.547 176.659 177.300 -0.156 0.000 1.216 247 P CA 0.302 63.337 63.100 -0.108 0.000 0.771 247 P CB 0.318 31.939 31.700 -0.133 0.000 0.864 248 A N 3.471 126.210 122.820 -0.135 0.000 2.483 248 A HA 0.038 4.358 4.320 0.000 0.000 0.238 248 A C 1.392 178.846 177.584 -0.217 0.000 1.070 248 A CA -0.090 51.837 52.037 -0.184 0.000 0.770 248 A CB -0.483 18.419 19.000 -0.163 0.000 1.008 248 A HN 0.693 nan 8.150 nan 0.000 0.497 249 L N 1.627 122.692 121.223 -0.264 0.000 2.456 249 L HA 0.000 4.340 4.340 0.000 0.000 0.224 249 L C 0.228 176.959 176.870 -0.232 0.000 1.148 249 L CA 0.660 55.330 54.840 -0.285 0.000 0.825 249 L CB -0.174 41.664 42.059 -0.367 0.000 0.937 249 L HN 0.496 nan 8.230 nan 0.000 0.450 250 V N -1.378 118.375 119.914 -0.269 0.000 2.971 250 V HA 0.368 4.488 4.120 0.000 0.000 0.309 250 V C -0.425 175.386 176.094 -0.472 0.000 1.130 250 V CA -0.558 61.529 62.300 -0.354 0.000 0.964 250 V CB 2.588 34.172 31.823 -0.399 0.000 1.029 250 V HN 0.010 nan 8.190 nan 0.000 0.427 251 T N 3.424 117.709 114.554 -0.449 0.000 2.950 251 T HA 0.683 5.033 4.350 0.000 0.000 0.288 251 T C -1.225 173.131 174.700 -0.574 0.000 1.035 251 T CA -0.314 61.535 62.100 -0.419 0.000 1.028 251 T CB 1.386 70.129 68.868 -0.209 0.000 1.109 251 T HN 0.434 nan 8.240 nan 0.000 0.514 252 Y N 0.634 120.847 120.300 -0.145 0.000 2.420 252 Y HA 0.364 4.914 4.550 0.000 0.000 0.334 252 Y C 0.864 176.543 175.900 -0.370 0.000 1.094 252 Y CA -1.019 56.937 58.100 -0.240 0.000 1.126 252 Y CB 1.144 39.459 38.460 -0.241 0.000 1.217 252 Y HN 0.644 nan 8.280 nan 0.000 0.462 253 N N 0.532 119.119 118.700 -0.187 0.000 2.447 253 N HA -0.051 4.689 4.740 0.000 0.000 0.263 253 N C 0.730 175.947 175.510 -0.489 0.000 1.226 253 N CA 0.256 53.170 53.050 -0.226 0.000 0.906 253 N CB 0.677 39.103 38.487 -0.103 0.000 1.060 253 N HN 0.704 nan 8.380 nan 0.000 0.468 254 T N 2.213 116.566 114.554 -0.334 0.000 2.881 254 T HA -0.106 4.244 4.350 0.000 0.000 0.270 254 T C 0.371 174.993 174.700 -0.130 0.000 1.068 254 T CA 1.388 63.306 62.100 -0.303 0.000 1.131 254 T CB -0.123 68.671 68.868 -0.124 0.000 0.871 254 T HN 0.609 nan 8.240 nan 0.000 0.479 255 D N -0.307 120.057 120.400 -0.060 0.000 2.414 255 D HA 0.055 4.695 4.640 0.000 0.000 0.237 255 D C 2.261 178.654 176.300 0.155 0.000 0.975 255 D CA 0.767 54.807 54.000 0.065 0.000 0.917 255 D CB 0.109 40.933 40.800 0.040 0.000 1.061 255 D HN 0.179 nan 8.370 nan 0.000 0.480 256 T N -0.853 113.754 114.554 0.090 0.000 2.939 256 T HA 0.046 4.396 4.350 0.000 0.000 0.254 256 T C 0.128 174.999 174.700 0.285 0.000 1.041 256 T CA 0.269 62.455 62.100 0.144 0.000 1.142 256 T CB 0.162 69.073 68.868 0.072 0.000 0.874 256 T HN 0.124 nan 8.240 nan 0.000 0.452 257 F N 0.754 120.733 119.950 0.048 0.000 2.667 257 F HA -0.134 4.393 4.527 0.000 0.000 0.283 257 F C 0.023 175.898 175.800 0.125 0.000 0.718 257 F CA -0.323 57.717 58.000 0.067 0.000 1.580 257 F CB -1.578 37.399 39.000 -0.039 0.000 1.831 257 F HN 0.059 nan 8.300 nan 0.000 0.364 258 E N 0.332 120.629 120.200 0.163 0.000 2.383 258 E HA 0.293 4.643 4.350 0.000 0.000 0.264 258 E C 0.497 177.190 176.600 0.155 0.000 1.050 258 E CA -0.057 56.427 56.400 0.140 0.000 0.896 258 E CB 0.743 30.482 29.700 0.066 0.000 0.982 258 E HN 0.108 nan 8.360 nan 0.000 0.424 259 S N 2.124 117.907 115.700 0.139 0.000 2.516 259 S HA 0.173 4.644 4.470 0.000 0.000 0.282 259 S C 0.265 174.830 174.600 -0.058 0.000 1.286 259 S CA -0.064 58.147 58.200 0.019 0.000 1.066 259 S CB 0.131 63.353 63.200 0.036 0.000 0.884 259 S HN 0.303 nan 8.310 nan 0.000 0.491 260 M N 5.037 124.550 119.600 -0.146 0.000 2.311 260 M HA 0.373 4.853 4.480 0.000 0.000 0.325 260 M C -2.552 173.659 176.300 -0.147 0.000 1.061 260 M CA -2.274 52.953 55.300 -0.122 0.000 0.957 260 M CB 1.913 34.439 32.600 -0.123 0.000 1.646 260 M HN 0.266 nan 8.290 nan 0.000 0.434 261 P HA 0.020 nan 4.420 nan 0.000 0.267 261 P C -1.092 176.145 177.300 -0.105 0.000 1.205 261 P CA -0.059 62.981 63.100 -0.099 0.000 0.765 261 P CB 0.273 31.938 31.700 -0.058 0.000 0.828 262 N N 4.769 123.394 118.700 -0.124 0.000 2.430 262 N HA 0.139 4.879 4.740 0.000 0.000 0.265 262 N C -1.597 173.872 175.510 -0.069 0.000 1.100 262 N CA -2.158 50.830 53.050 -0.103 0.000 0.961 262 N CB 0.376 38.789 38.487 -0.123 0.000 1.075 262 N HN 0.169 nan 8.380 nan 0.000 0.478 263 P HA -0.026 nan 4.420 nan 0.000 0.217 263 P C 0.200 177.493 177.300 -0.012 0.000 1.151 263 P CA 1.130 64.218 63.100 -0.022 0.000 0.828 263 P CB 0.315 32.007 31.700 -0.013 0.000 0.788 264 E N -0.150 120.043 120.200 -0.013 0.000 2.516 264 E HA 0.078 4.428 4.350 0.000 0.000 0.199 264 E C 1.229 177.805 176.600 -0.040 0.000 1.069 264 E CA -0.152 56.251 56.400 0.005 0.000 0.876 264 E CB -0.446 29.272 29.700 0.029 0.000 0.843 264 E HN 0.207 nan 8.360 nan 0.000 0.530 265 G N 1.295 110.048 108.800 -0.078 0.000 2.554 265 G HA2 0.169 4.129 3.960 0.000 0.000 0.238 265 G HA3 0.169 4.129 3.960 0.000 0.000 0.238 265 G C -0.087 174.723 174.900 -0.149 0.000 1.259 265 G CA -0.292 44.723 45.100 -0.142 0.000 0.843 265 G HN 0.020 nan 8.290 nan 0.000 0.582 266 R N -0.073 120.294 120.500 -0.222 0.000 2.663 266 R HA 0.211 4.551 4.340 0.000 0.000 0.267 266 R C -1.673 174.499 176.300 -0.215 0.000 1.038 266 R CA -0.803 55.206 56.100 -0.153 0.000 0.886 266 R CB 1.614 31.824 30.300 -0.151 0.000 1.249 266 R HN 0.562 nan 8.270 nan 0.000 0.463 267 Y N 0.377 120.632 120.300 -0.075 0.000 2.376 267 Y HA 0.219 4.769 4.550 0.000 0.000 0.325 267 Y C 1.053 176.930 175.900 -0.038 0.000 1.199 267 Y CA -0.191 57.879 58.100 -0.051 0.000 1.206 267 Y CB 1.634 40.083 38.460 -0.018 0.000 1.229 267 Y HN 0.482 nan 8.280 nan 0.000 0.480 268 T N 0.629 115.257 114.554 0.124 0.000 2.744 268 T HA 0.439 4.789 4.350 0.000 0.000 0.291 268 T C -1.090 173.791 174.700 0.301 0.000 0.957 268 T CA -0.485 61.687 62.100 0.120 0.000 1.002 268 T CB 0.044 68.891 68.868 -0.035 0.000 0.919 268 T HN 0.393 nan 8.240 nan 0.000 0.468 269 F N 3.987 124.006 119.950 0.115 0.000 2.445 269 F HA 0.606 5.134 4.527 0.000 0.000 0.348 269 F C 0.860 176.700 175.800 0.066 0.000 1.125 269 F CA -0.081 57.930 58.000 0.017 0.000 0.983 269 F CB 0.662 39.608 39.000 -0.089 0.000 1.198 269 F HN 1.174 nan 8.300 nan 0.000 0.436 270 G N 4.228 112.830 108.800 -0.331 0.000 2.614 270 G HA2 -0.217 3.743 3.960 0.000 0.000 0.303 270 G HA3 -0.217 3.743 3.960 0.000 0.000 0.303 270 G C 0.457 175.309 174.900 -0.079 0.000 1.270 270 G CA 0.296 45.210 45.100 -0.310 0.000 0.988 270 G HN 1.694 nan 8.290 nan 0.000 0.551 271 A N -0.231 122.500 122.820 -0.148 0.000 2.797 271 A HA 0.706 5.026 4.320 0.000 0.000 0.287 271 A C 0.727 178.360 177.584 0.081 0.000 1.369 271 A CA 1.392 53.329 52.037 -0.167 0.000 0.968 271 A CB -0.216 18.642 19.000 -0.237 0.000 1.069 271 A HN 1.266 nan 8.150 nan 0.000 0.571 272 S N -1.451 114.396 115.700 0.245 0.000 2.599 272 S HA 0.572 5.042 4.470 0.000 0.000 0.287 272 S C -0.834 173.945 174.600 0.299 0.000 1.105 272 S CA -0.393 57.958 58.200 0.252 0.000 0.899 272 S CB 1.442 64.748 63.200 0.176 0.000 1.100 272 S HN 0.397 nan 8.310 nan 0.000 0.482 273 c N 2.236 120.960 118.600 0.207 0.000 2.345 273 c HA 0.865 5.435 4.570 0.000 0.000 0.323 273 c C -0.175 173.988 174.090 0.122 0.000 1.276 273 c CA -0.543 55.843 56.329 0.096 0.000 1.543 273 c CB 0.467 42.943 42.510 -0.058 0.000 2.211 273 c HN 0.613 nan 8.230 nan 0.000 0.493 274 V N 3.032 123.019 119.914 0.121 0.000 2.876 274 V HA 0.403 4.523 4.120 0.000 0.000 0.312 274 V C 0.817 176.991 176.094 0.133 0.000 1.085 274 V CA -0.115 62.261 62.300 0.126 0.000 0.945 274 V CB 2.667 34.572 31.823 0.136 0.000 1.017 274 V HN 0.981 nan 8.190 nan 0.000 0.428 275 T N 2.496 117.112 114.554 0.104 0.000 3.023 275 T HA 0.337 4.687 4.350 0.000 0.000 0.266 275 T C 0.233 175.017 174.700 0.141 0.000 1.093 275 T CA 1.084 63.257 62.100 0.122 0.000 1.129 275 T CB 0.195 69.109 68.868 0.077 0.000 0.899 275 T HN 0.944 nan 8.240 nan 0.000 0.491 276 A N -0.167 122.663 122.820 0.017 0.000 2.555 276 A HA 0.523 4.843 4.320 0.000 0.000 0.297 276 A C -0.348 177.070 177.584 -0.277 0.000 1.060 276 A CA -1.030 50.905 52.037 -0.170 0.000 0.710 276 A CB 0.469 19.412 19.000 -0.095 0.000 1.282 276 A HN 0.262 nan 8.150 nan 0.000 0.399 277 c N 3.260 121.569 118.600 -0.484 0.000 2.563 277 c HA 0.320 4.890 4.570 0.000 0.000 0.411 277 c C -1.607 172.278 174.090 -0.341 0.000 1.386 277 c CA 0.080 56.147 56.329 -0.437 0.000 1.703 277 c CB -0.741 41.534 42.510 -0.391 0.000 2.596 277 c HN 0.674 nan 8.230 nan 0.000 0.605 278 P HA -0.036 nan 4.420 nan 0.000 0.267 278 P C 0.516 177.792 177.300 -0.041 0.000 1.200 278 P CA 0.073 62.981 63.100 -0.320 0.000 0.772 278 P CB 0.202 31.508 31.700 -0.657 0.000 0.855 279 Y N 3.295 123.569 120.300 -0.042 0.000 2.073 279 Y HA -0.358 4.192 4.550 0.000 0.000 0.270 279 Y C 1.644 177.561 175.900 0.029 0.000 1.226 279 Y CA 2.628 60.728 58.100 -0.000 0.000 1.117 279 Y CB -0.684 37.787 38.460 0.018 0.000 0.939 279 Y HN 0.372 nan 8.280 nan 0.000 0.504 280 N N -1.180 117.490 118.700 -0.050 0.000 2.235 280 N HA 0.055 4.795 4.740 0.000 0.000 0.209 280 N C -1.359 174.000 175.510 -0.252 0.000 1.122 280 N CA -0.126 52.764 53.050 -0.267 0.000 0.845 280 N CB -0.139 38.316 38.487 -0.053 0.000 1.004 280 N HN 0.244 nan 8.380 nan 0.000 0.499 281 Y N -0.069 120.119 120.300 -0.186 0.000 2.403 281 Y HA 0.438 4.988 4.550 0.000 0.000 0.323 281 Y C 0.150 175.968 175.900 -0.136 0.000 1.226 281 Y CA -0.753 57.275 58.100 -0.121 0.000 1.235 281 Y CB 1.080 39.462 38.460 -0.130 0.000 1.248 281 Y HN -0.153 nan 8.280 nan 0.000 0.489 282 L N 1.607 122.879 121.223 0.082 0.000 2.289 282 L HA 0.399 4.740 4.340 0.000 0.000 0.285 282 L C 0.067 176.968 176.870 0.051 0.000 1.049 282 L CA -0.459 54.403 54.840 0.036 0.000 0.804 282 L CB 1.119 43.212 42.059 0.056 0.000 1.195 282 L HN 0.541 nan 8.230 nan 0.000 0.428 283 S N 1.027 116.724 115.700 -0.006 0.000 2.565 283 S HA 0.359 4.829 4.470 0.000 0.000 0.274 283 S C 0.082 174.769 174.600 0.146 0.000 1.309 283 S CA -0.436 57.772 58.200 0.013 0.000 1.043 283 S CB 1.096 64.244 63.200 -0.086 0.000 0.939 283 S HN 0.585 nan 8.310 nan 0.000 0.504 284 T N 1.910 116.612 114.554 0.247 0.000 2.925 284 T HA 0.181 4.531 4.350 0.000 0.000 0.285 284 T C 1.034 175.837 174.700 0.171 0.000 1.021 284 T CA -0.581 61.630 62.100 0.185 0.000 1.042 284 T CB 1.347 70.315 68.868 0.167 0.000 1.037 284 T HN 0.569 nan 8.240 nan 0.000 0.481 285 D N 1.134 121.597 120.400 0.106 0.000 2.144 285 D HA -0.085 4.555 4.640 0.000 0.000 0.199 285 D C 1.826 178.142 176.300 0.027 0.000 0.984 285 D CA 0.810 54.849 54.000 0.065 0.000 0.834 285 D CB 0.068 40.900 40.800 0.053 0.000 0.955 285 D HN 0.235 nan 8.370 nan 0.000 0.465 286 V N -0.137 119.799 119.914 0.037 0.000 3.541 286 V HA 0.045 4.165 4.120 0.000 0.000 0.272 286 V C 1.392 177.461 176.094 -0.043 0.000 1.215 286 V CA 1.024 63.330 62.300 0.010 0.000 1.176 286 V CB -0.580 31.267 31.823 0.039 0.000 0.854 286 V HN 0.514 nan 8.190 nan 0.000 0.496 287 G N 1.071 109.822 108.800 -0.082 0.000 2.198 287 G HA2 -0.235 3.725 3.960 0.000 0.000 0.257 287 G HA3 -0.235 3.725 3.960 0.000 0.000 0.257 287 G C 0.182 175.072 174.900 -0.018 0.000 1.042 287 G CA 0.521 45.469 45.100 -0.254 0.000 0.791 287 G HN 0.942 nan 8.290 nan 0.000 0.502 288 S N -1.973 113.842 115.700 0.191 0.000 2.677 288 S HA 0.801 5.271 4.470 0.000 0.000 0.304 288 S C -0.285 174.495 174.600 0.300 0.000 1.108 288 S CA -0.584 57.760 58.200 0.240 0.000 0.944 288 S CB 2.730 66.030 63.200 0.166 0.000 1.127 288 S HN 0.836 nan 8.310 nan 0.000 0.511 289 c N 2.019 120.771 118.600 0.255 0.000 2.340 289 c HA 0.918 5.488 4.570 0.000 0.000 0.323 289 c C 0.733 175.009 174.090 0.309 0.000 1.260 289 c CA -0.207 56.247 56.329 0.208 0.000 1.464 289 c CB 0.259 42.833 42.510 0.107 0.000 2.156 289 c HN 1.143 nan 8.230 nan 0.000 0.476 290 T N 0.319 115.073 114.554 0.333 0.000 2.590 290 T HA 0.683 5.034 4.350 0.000 0.000 0.282 290 T C 0.055 174.937 174.700 0.304 0.000 0.989 290 T CA -0.553 61.761 62.100 0.356 0.000 1.091 290 T CB 0.873 69.876 68.868 0.226 0.000 1.460 290 T HN 0.330 nan 8.240 nan 0.000 0.499 291 L N -0.583 120.742 121.223 0.170 0.000 3.128 291 L HA 0.481 4.821 4.340 0.000 0.000 0.277 291 L C -0.770 176.141 176.870 0.069 0.000 1.171 291 L CA -0.137 54.722 54.840 0.031 0.000 1.008 291 L CB 1.406 43.441 42.059 -0.040 0.000 1.442 291 L HN 0.386 nan 8.230 nan 0.000 0.584 292 V N -0.961 119.023 119.914 0.117 0.000 2.789 292 V HA 0.318 4.438 4.120 0.000 0.000 0.311 292 V C -0.088 176.092 176.094 0.143 0.000 1.073 292 V CA -1.074 61.312 62.300 0.143 0.000 0.921 292 V CB 2.285 34.191 31.823 0.139 0.000 1.009 292 V HN 0.034 nan 8.190 nan 0.000 0.426 293 c N 4.575 123.268 118.600 0.155 0.000 2.705 293 c HA 0.377 4.947 4.570 0.000 0.000 0.382 293 c C -1.649 172.515 174.090 0.123 0.000 1.322 293 c CA -0.192 56.220 56.329 0.137 0.000 2.290 293 c CB -0.031 42.562 42.510 0.137 0.000 2.650 293 c HN 0.744 nan 8.230 nan 0.000 0.695 294 P HA 0.197 nan 4.420 nan 0.000 0.278 294 P C -0.233 177.139 177.300 0.121 0.000 1.266 294 P CA -0.656 62.511 63.100 0.113 0.000 0.807 294 P CB 0.266 32.035 31.700 0.116 0.000 1.094 295 L N 2.479 123.766 121.223 0.107 0.000 2.558 295 L HA -0.122 4.218 4.340 0.000 0.000 0.301 295 L C 1.198 178.237 176.870 0.282 0.000 1.267 295 L CA 0.878 55.763 54.840 0.075 0.000 0.854 295 L CB -0.918 41.108 42.059 -0.054 0.000 1.103 295 L HN 0.806 nan 8.230 nan 0.000 0.522 296 H N 1.104 120.191 119.070 0.029 0.000 2.207 296 H HA -0.242 4.315 4.556 0.000 0.000 0.325 296 H C -0.647 174.699 175.328 0.030 0.000 0.959 296 H CA 0.234 56.297 56.048 0.025 0.000 1.085 296 H CB -1.363 28.410 29.762 0.019 0.000 1.582 296 H HN 0.484 nan 8.280 nan 0.000 0.361 297 N N 1.656 120.453 118.700 0.161 0.000 2.336 297 N HA 0.161 4.901 4.740 0.000 0.000 0.290 297 N C -0.861 174.703 175.510 0.089 0.000 1.058 297 N CA -0.769 52.346 53.050 0.108 0.000 0.865 297 N CB 2.104 40.660 38.487 0.114 0.000 1.581 297 N HN 0.645 nan 8.380 nan 0.000 0.480 298 Q N 0.192 120.036 119.800 0.073 0.000 2.359 298 Q HA 0.600 4.940 4.340 0.000 0.000 0.275 298 Q C -0.938 175.120 176.000 0.097 0.000 1.082 298 Q CA -0.902 54.943 55.803 0.069 0.000 0.849 298 Q CB 1.922 30.686 28.738 0.043 0.000 1.377 298 Q HN 0.373 nan 8.270 nan 0.000 0.452 299 E N 0.602 120.885 120.200 0.139 0.000 2.277 299 E HA 0.483 4.833 4.350 0.000 0.000 0.274 299 E C -0.361 176.299 176.600 0.099 0.000 1.022 299 E CA -0.858 55.621 56.400 0.131 0.000 0.853 299 E CB 1.987 31.789 29.700 0.170 0.000 1.086 299 E HN 0.502 nan 8.360 nan 0.000 0.397 300 V N -0.850 119.104 119.914 0.067 0.000 3.160 300 V HA 0.606 4.726 4.120 0.000 0.000 0.310 300 V C -0.766 175.346 176.094 0.030 0.000 1.181 300 V CA -0.730 61.600 62.300 0.050 0.000 1.047 300 V CB 2.220 34.069 31.823 0.044 0.000 1.068 300 V HN 0.643 nan 8.190 nan 0.000 0.441 301 T N 2.662 117.230 114.554 0.023 0.000 2.770 301 T HA 0.864 5.214 4.350 0.000 0.000 0.283 301 T C 0.077 174.785 174.700 0.014 0.000 0.988 301 T CA 0.339 62.446 62.100 0.010 0.000 0.957 301 T CB 1.005 69.877 68.868 0.007 0.000 0.930 301 T HN 1.408 nan 8.240 nan 0.000 0.443 307 Q N 0.575 120.331 119.800 -0.074 0.000 2.327 307 Q HA 0.603 4.943 4.340 0.000 0.000 0.270 307 Q C -0.772 175.211 176.000 -0.027 0.000 1.022 307 Q CA -0.553 55.220 55.803 -0.050 0.000 0.773 307 Q CB 1.293 29.984 28.738 -0.077 0.000 1.251 307 Q HN 0.435 nan 8.270 nan 0.000 0.457 308 R N 1.476 121.980 120.500 0.007 0.000 2.758 308 R HA 0.648 4.988 4.340 0.000 0.000 0.265 308 R C -1.039 175.295 176.300 0.057 0.000 1.016 308 R CA -0.674 55.445 56.100 0.033 0.000 1.040 308 R CB 1.527 31.853 30.300 0.043 0.000 1.152 308 R HN 0.628 nan 8.270 nan 0.000 0.503 309 c N 1.891 120.537 118.600 0.076 0.000 2.303 309 c HA 0.391 4.961 4.570 0.000 0.000 0.326 309 c C -0.185 173.952 174.090 0.078 0.000 1.285 309 c CA -0.536 55.845 56.329 0.086 0.000 1.675 309 c CB 0.499 43.070 42.510 0.102 0.000 2.289 309 c HN 0.742 nan 8.230 nan 0.000 0.512 310 E N 1.339 121.580 120.200 0.068 0.000 2.393 310 E HA 0.470 4.821 4.350 0.000 0.000 0.265 310 E C -1.217 175.410 176.600 0.045 0.000 0.941 310 E CA -1.028 55.405 56.400 0.054 0.000 0.801 310 E CB 1.468 31.195 29.700 0.045 0.000 1.313 310 E HN 0.418 nan 8.360 nan 0.000 0.435 311 K N 0.705 121.120 120.400 0.025 0.000 2.322 311 K HA 0.176 4.496 4.320 0.000 0.000 0.283 311 K C -0.691 175.913 176.600 0.006 0.000 1.042 311 K CA -0.481 55.805 56.287 -0.001 0.000 0.958 311 K CB 0.286 32.766 32.500 -0.034 0.000 0.984 311 K HN 0.503 nan 8.250 nan 0.000 0.473 312 c N 3.356 121.963 118.600 0.011 0.000 2.627 312 c HA 0.087 4.657 4.570 0.000 0.000 0.404 312 c C 1.750 175.841 174.090 0.003 0.000 1.340 312 c CA -0.855 55.484 56.329 0.017 0.000 1.758 312 c CB -0.086 42.445 42.510 0.035 0.000 2.501 312 c HN 0.839 nan 8.230 nan 0.000 0.588 313 S N 2.419 118.123 115.700 0.007 0.000 2.343 313 S HA -0.087 4.383 4.470 0.000 0.000 0.212 313 S C 0.904 175.506 174.600 0.004 0.000 1.033 313 S CA 0.942 59.144 58.200 0.003 0.000 1.004 313 S CB -0.221 62.983 63.200 0.007 0.000 0.977 313 S HN 0.802 nan 8.310 nan 0.000 0.427 314 K N 2.308 122.714 120.400 0.009 0.000 2.276 314 K HA 0.218 4.538 4.320 0.000 0.000 0.259 314 K C -2.687 173.924 176.600 0.017 0.000 1.001 314 K CA -1.420 54.874 56.287 0.011 0.000 0.927 314 K CB -0.181 32.325 32.500 0.011 0.000 0.969 314 K HN 0.067 nan 8.250 nan 0.000 0.490 315 P HA -0.058 nan 4.420 nan 0.000 0.266 315 P C -0.491 176.829 177.300 0.033 0.000 1.195 315 P CA -0.255 62.866 63.100 0.034 0.000 0.768 315 P CB 0.417 32.136 31.700 0.031 0.000 0.838 316 c N 3.463 122.092 118.600 0.048 0.000 2.298 316 c HA 0.135 4.705 4.570 0.000 0.000 0.395 316 c C 1.176 175.273 174.090 0.012 0.000 1.526 316 c CA 0.144 56.495 56.329 0.037 0.000 1.458 316 c CB -2.046 40.497 42.510 0.055 0.000 2.506 316 c HN 0.586 nan 8.230 nan 0.000 0.604 317 A N 7.464 130.284 122.820 -0.001 0.000 2.451 317 A HA 0.311 4.631 4.320 0.000 0.000 0.266 317 A C 0.695 178.254 177.584 -0.042 0.000 1.119 317 A CA -0.074 51.956 52.037 -0.013 0.000 0.786 317 A CB 0.247 19.243 19.000 -0.007 0.000 1.061 317 A HN 0.920 nan 8.150 nan 0.000 0.503 318 R N 1.117 121.597 120.500 -0.033 0.000 2.756 318 R HA 0.282 4.622 4.340 0.000 0.000 0.264 318 R C -0.417 175.818 176.300 -0.109 0.000 1.026 318 R CA 0.307 56.379 56.100 -0.047 0.000 1.121 318 R CB 0.372 30.663 30.300 -0.015 0.000 0.999 318 R HN 0.502 nan 8.270 nan 0.000 0.449 319 V N 0.773 120.574 119.914 -0.189 0.000 3.160 319 V HA 0.198 4.318 4.120 0.000 0.000 0.310 319 V C -0.688 175.207 176.094 -0.330 0.000 1.181 319 V CA -0.924 61.161 62.300 -0.359 0.000 1.047 319 V CB 2.505 33.806 31.823 -0.870 0.000 1.068 319 V HN 0.898 nan 8.190 nan 0.000 0.441 320 c N 2.483 120.953 118.600 -0.217 0.000 2.265 320 c HA 0.657 5.227 4.570 0.000 0.000 0.332 320 c C -0.676 173.411 174.090 -0.005 0.000 1.248 320 c CA -0.527 55.789 56.329 -0.021 0.000 1.727 320 c CB -1.199 41.399 42.510 0.145 0.000 2.348 320 c HN 0.669 nan 8.230 nan 0.000 0.519 321 Y N 3.887 124.313 120.300 0.210 0.000 2.323 321 Y HA 0.549 5.099 4.550 0.000 0.000 0.331 321 Y C 1.027 177.107 175.900 0.300 0.000 1.092 321 Y CA 0.652 58.872 58.100 0.200 0.000 1.150 321 Y CB 1.406 39.890 38.460 0.041 0.000 1.200 321 Y HN 0.858 nan 8.280 nan 0.000 0.472 322 G N 2.209 111.272 108.800 0.439 0.000 2.568 322 G HA2 0.521 4.481 3.960 0.000 0.000 0.293 322 G HA3 0.521 4.481 3.960 0.000 0.000 0.293 322 G C -0.791 174.215 174.900 0.177 0.000 1.347 322 G CA -1.065 44.235 45.100 0.335 0.000 1.039 322 G HN 0.595 nan 8.290 nan 0.000 0.523 323 L N 0.208 121.470 121.223 0.064 0.000 2.485 323 L HA 0.353 4.693 4.340 0.000 0.000 0.275 323 L C 1.621 178.485 176.870 -0.010 0.000 1.207 323 L CA 1.142 55.986 54.840 0.007 0.000 0.855 323 L CB 0.447 42.484 42.059 -0.036 0.000 1.114 323 L HN 1.030 nan 8.230 nan 0.000 0.485 324 G N 2.094 110.896 108.800 0.004 0.000 2.194 324 G HA2 -0.270 3.691 3.960 0.000 0.000 0.236 324 G HA3 -0.270 3.691 3.960 0.000 0.000 0.236 324 G C -0.360 174.543 174.900 0.005 0.000 0.987 324 G CA 0.051 45.164 45.100 0.022 0.000 0.635 324 G HN 0.461 nan 8.290 nan 0.000 0.520 325 M N 0.092 119.679 119.600 -0.023 0.000 2.518 325 M HA 0.645 5.126 4.480 0.000 0.000 0.300 325 M C 0.535 176.647 176.300 -0.313 0.000 1.175 325 M CA -0.448 54.791 55.300 -0.101 0.000 0.890 325 M CB 1.614 34.263 32.600 0.081 0.000 1.710 325 M HN 0.201 nan 8.290 nan 0.000 0.453 326 E N 1.133 121.081 120.200 -0.419 0.000 3.333 326 E HA -0.316 4.034 4.350 0.000 0.000 0.342 326 E C 0.770 177.226 176.600 -0.240 0.000 1.501 326 E CA 1.902 58.044 56.400 -0.430 0.000 1.770 326 E CB -1.020 28.231 29.700 -0.749 0.000 1.817 326 E HN 1.053 nan 8.360 nan 0.000 0.485 327 H N 1.412 120.395 119.070 -0.145 0.000 2.518 327 H HA -0.040 4.516 4.556 0.000 0.000 0.292 327 H C 1.902 177.207 175.328 -0.038 0.000 1.068 327 H CA 1.491 57.495 56.048 -0.073 0.000 1.275 327 H CB -0.358 29.371 29.762 -0.055 0.000 1.375 327 H HN 0.224 nan 8.280 nan 0.000 0.563 328 L N 1.710 122.673 121.223 -0.434 0.000 2.741 328 L HA 0.181 4.521 4.340 0.000 0.000 0.237 328 L C 2.304 179.113 176.870 -0.102 0.000 1.178 328 L CA -0.161 54.553 54.840 -0.211 0.000 0.973 328 L CB 0.087 42.024 42.059 -0.203 0.000 1.255 328 L HN 0.192 nan 8.230 nan 0.000 0.498 329 R N 0.461 120.903 120.500 -0.096 0.000 2.083 329 R HA -0.143 4.197 4.340 0.000 0.000 0.237 329 R C 1.053 177.345 176.300 -0.014 0.000 1.137 329 R CA 1.386 57.457 56.100 -0.049 0.000 0.951 329 R CB -0.342 29.928 30.300 -0.050 0.000 0.851 329 R HN 0.324 nan 8.270 nan 0.000 0.434 330 E N 1.295 121.488 120.200 -0.011 0.000 2.370 330 E HA 0.144 4.494 4.350 0.000 0.000 0.194 330 E C -0.786 175.818 176.600 0.007 0.000 1.057 330 E CA -0.222 56.179 56.400 0.002 0.000 1.011 330 E CB 1.022 30.722 29.700 0.001 0.000 1.132 330 E HN 0.078 nan 8.360 nan 0.000 0.450 331 V N 1.404 121.321 119.914 0.005 0.000 2.432 331 V HA 0.133 4.253 4.120 0.000 0.000 0.275 331 V C 1.354 177.457 176.094 0.016 0.000 1.043 331 V CA -0.191 62.117 62.300 0.012 0.000 0.925 331 V CB 1.420 33.252 31.823 0.016 0.000 0.985 331 V HN 0.240 nan 8.190 nan 0.000 0.466 332 R N 2.983 123.492 120.500 0.014 0.000 2.070 332 R HA 0.167 4.507 4.340 0.000 0.000 0.232 332 R C 0.652 176.951 176.300 -0.002 0.000 1.138 332 R CA 1.577 57.684 56.100 0.012 0.000 0.936 332 R CB 0.051 30.360 30.300 0.015 0.000 0.839 332 R HN 0.788 nan 8.270 nan 0.000 0.429 333 A N -0.299 122.513 122.820 -0.013 0.000 2.594 333 A HA 0.513 4.833 4.320 0.000 0.000 0.291 333 A C -1.080 176.456 177.584 -0.080 0.000 1.105 333 A CA -0.711 51.294 52.037 -0.054 0.000 0.694 333 A CB 1.646 20.633 19.000 -0.022 0.000 1.291 333 A HN -0.036 nan 8.150 nan 0.000 0.410 334 V N 1.907 121.694 119.914 -0.212 0.000 2.498 334 V HA 0.582 4.702 4.120 0.000 0.000 0.279 334 V C 0.666 176.721 176.094 -0.064 0.000 1.048 334 V CA 0.746 62.968 62.300 -0.130 0.000 0.967 334 V CB 0.728 32.330 31.823 -0.367 0.000 0.988 334 V HN 1.228 nan 8.190 nan 0.000 0.473 335 T N 0.207 114.773 114.554 0.020 0.000 2.804 335 T HA 0.306 4.656 4.350 0.000 0.000 0.290 335 T C 0.955 175.670 174.700 0.024 0.000 1.099 335 T CA 0.058 62.146 62.100 -0.019 0.000 1.011 335 T CB 1.545 70.403 68.868 -0.016 0.000 1.291 335 T HN 0.585 nan 8.240 nan 0.000 0.523 336 S N -0.333 115.366 115.700 -0.002 0.000 2.507 336 S HA 0.097 4.567 4.470 0.000 0.000 0.235 336 S C 1.933 176.543 174.600 0.016 0.000 0.988 336 S CA 0.445 58.653 58.200 0.013 0.000 0.944 336 S CB -0.812 62.389 63.200 0.002 0.000 0.762 336 S HN 1.057 nan 8.310 nan 0.000 0.526 337 A N 2.202 125.033 122.820 0.018 0.000 2.178 337 A HA 0.195 4.515 4.320 0.000 0.000 0.211 337 A C 1.676 179.271 177.584 0.017 0.000 1.157 337 A CA 0.764 52.809 52.037 0.013 0.000 0.780 337 A CB -0.289 18.719 19.000 0.012 0.000 0.828 337 A HN 0.773 nan 8.150 nan 0.000 0.476 338 N N -1.882 116.844 118.700 0.043 0.000 2.129 338 N HA 0.079 4.819 4.740 0.000 0.000 0.222 338 N C 0.917 176.462 175.510 0.058 0.000 1.303 338 N CA 0.305 53.376 53.050 0.036 0.000 0.897 338 N CB -0.571 37.963 38.487 0.077 0.000 1.093 338 N HN 0.168 nan 8.380 nan 0.000 0.501 339 I N 0.888 121.560 120.570 0.169 0.000 2.335 339 I HA -0.209 3.961 4.170 0.000 0.000 0.251 339 I C 1.498 177.700 176.117 0.142 0.000 1.129 339 I CA 1.645 63.120 61.300 0.293 0.000 1.402 339 I CB 0.060 38.178 38.000 0.196 0.000 1.069 339 I HN 0.179 nan 8.210 nan 0.000 0.424 340 Q N 0.038 119.842 119.800 0.006 0.000 2.435 340 Q HA -0.137 4.203 4.340 0.000 0.000 0.207 340 Q C 1.729 177.659 176.000 -0.116 0.000 0.956 340 Q CA 0.665 56.441 55.803 -0.045 0.000 0.917 340 Q CB -0.135 28.579 28.738 -0.040 0.000 0.997 340 Q HN 0.648 nan 8.270 nan 0.000 0.497 341 E N -0.069 119.985 120.200 -0.244 0.000 2.455 341 E HA -0.142 4.208 4.350 0.000 0.000 0.202 341 E C 0.483 176.740 176.600 -0.572 0.000 1.045 341 E CA 0.735 56.875 56.400 -0.434 0.000 0.872 341 E CB -0.030 29.329 29.700 -0.568 0.000 0.792 341 E HN 0.362 nan 8.360 nan 0.000 0.542 342 F N -0.387 119.578 119.950 0.025 0.000 2.682 342 F HA 0.293 4.820 4.527 0.000 0.000 0.308 342 F C 0.901 176.677 175.800 -0.040 0.000 1.093 342 F CA -0.635 57.382 58.000 0.027 0.000 1.244 342 F CB 0.461 39.494 39.000 0.054 0.000 1.052 342 F HN -0.183 nan 8.300 nan 0.000 0.573 343 A N 0.876 123.715 122.820 0.033 0.000 2.553 343 A HA 0.369 4.689 4.320 0.000 0.000 0.258 343 A C 1.518 179.121 177.584 0.032 0.000 1.069 343 A CA 1.017 53.055 52.037 0.002 0.000 0.767 343 A CB -0.951 18.034 19.000 -0.025 0.000 0.997 343 A HN 0.967 nan 8.150 nan 0.000 0.512 344 G N 1.174 109.999 108.800 0.041 0.000 2.175 344 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 344 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 344 G C 0.349 175.296 174.900 0.078 0.000 0.982 344 G CA 0.065 45.193 45.100 0.046 0.000 0.641 344 G HN 1.124 nan 8.290 nan 0.000 0.527 345 c N 1.858 120.533 118.600 0.125 0.000 2.555 345 c HA 0.380 4.950 4.570 0.000 0.000 0.385 345 c C 1.967 176.150 174.090 0.156 0.000 1.296 345 c CA 0.127 56.554 56.329 0.163 0.000 1.757 345 c CB 0.534 43.201 42.510 0.262 0.000 2.445 345 c HN 0.491 nan 8.230 nan 0.000 0.571 346 K N 1.538 122.010 120.400 0.120 0.000 2.228 346 K HA -0.015 4.305 4.320 0.000 0.000 0.202 346 K C 0.700 177.356 176.600 0.093 0.000 1.051 346 K CA 0.977 57.322 56.287 0.098 0.000 0.960 346 K CB 0.210 32.752 32.500 0.072 0.000 0.743 346 K HN 0.603 nan 8.250 nan 0.000 0.458 347 K N 1.014 121.481 120.400 0.112 0.000 2.565 347 K HA 0.294 4.614 4.320 0.000 0.000 0.251 347 K C -1.639 175.031 176.600 0.117 0.000 0.956 347 K CA -0.334 55.982 56.287 0.048 0.000 0.809 347 K CB 1.323 33.822 32.500 -0.003 0.000 1.267 347 K HN -0.117 nan 8.250 nan 0.000 0.438 348 I N 4.566 125.169 120.570 0.054 0.000 2.339 348 I HA 0.297 4.467 4.170 0.000 0.000 0.290 348 I C -0.738 175.387 176.117 0.014 0.000 0.994 348 I CA -0.878 60.512 61.300 0.150 0.000 1.191 348 I CB 0.896 38.985 38.000 0.149 0.000 1.343 348 I HN 0.491 nan 8.210 nan 0.000 0.458 349 F N 5.557 125.498 119.950 -0.015 0.000 2.377 349 F HA 0.586 5.113 4.527 0.000 0.000 0.360 349 F C 1.000 176.869 175.800 0.115 0.000 1.147 349 F CA 0.066 58.069 58.000 0.005 0.000 1.170 349 F CB 0.450 39.379 39.000 -0.118 0.000 1.339 349 F HN 0.680 nan 8.300 nan 0.000 0.552 350 G N 1.425 110.301 108.800 0.127 0.000 2.265 350 G HA2 0.120 4.080 3.960 0.000 0.000 0.246 350 G HA3 0.120 4.080 3.960 0.000 0.000 0.246 350 G C -0.959 173.874 174.900 -0.113 0.000 1.299 350 G CA -0.697 44.438 45.100 0.058 0.000 1.117 350 G HN 0.529 nan 8.290 nan 0.000 0.485 351 S N -1.206 114.357 115.700 -0.228 0.000 2.806 351 S HA 0.906 5.377 4.470 0.000 0.000 0.315 351 S C -0.713 173.657 174.600 -0.384 0.000 1.127 351 S CA -0.680 57.216 58.200 -0.507 0.000 0.918 351 S CB 1.650 64.131 63.200 -1.198 0.000 1.240 351 S HN 0.807 nan 8.310 nan 0.000 0.552 352 L N 0.871 121.829 121.223 -0.440 0.000 2.470 352 L HA 0.764 5.104 4.340 0.000 0.000 0.268 352 L C -1.014 175.727 176.870 -0.216 0.000 0.964 352 L CA -0.642 53.979 54.840 -0.365 0.000 0.839 352 L CB 1.867 43.711 42.059 -0.358 0.000 1.276 352 L HN 0.761 nan 8.230 nan 0.000 0.403 353 A N 3.026 125.667 122.820 -0.299 0.000 2.374 353 A HA 0.870 5.190 4.320 0.000 0.000 0.305 353 A C -1.503 175.922 177.584 -0.265 0.000 1.053 353 A CA -0.299 51.737 52.037 -0.001 0.000 0.726 353 A CB 0.969 20.012 19.000 0.072 0.000 1.229 353 A HN 0.467 nan 8.150 nan 0.000 0.431 354 F N 2.297 122.455 119.950 0.347 0.000 2.449 354 F HA 0.670 5.197 4.527 0.000 0.000 0.342 354 F C -0.292 175.733 175.800 0.375 0.000 1.127 354 F CA -0.580 57.634 58.000 0.357 0.000 0.975 354 F CB 1.663 41.003 39.000 0.567 0.000 1.146 354 F HN 0.324 nan 8.300 nan 0.000 0.444 355 L N 4.746 126.211 121.223 0.402 0.000 2.301 355 L HA 0.612 4.952 4.340 0.000 0.000 0.264 355 L C -1.571 175.477 176.870 0.297 0.000 1.016 355 L CA -2.093 52.951 54.840 0.339 0.000 0.821 355 L CB 1.280 43.482 42.059 0.240 0.000 1.346 355 L HN 0.138 nan 8.230 nan 0.000 0.429 356 P HA -0.258 nan 4.420 nan 0.000 0.217 356 P C 1.055 178.464 177.300 0.181 0.000 1.162 356 P CA 1.702 64.942 63.100 0.233 0.000 0.901 356 P CB -0.045 31.749 31.700 0.156 0.000 0.793 357 E N -0.450 119.817 120.200 0.112 0.000 2.333 357 E HA -0.153 4.197 4.350 0.000 0.000 0.200 357 E C 1.565 178.153 176.600 -0.019 0.000 1.010 357 E CA 1.250 57.682 56.400 0.053 0.000 0.841 357 E CB -0.978 28.748 29.700 0.043 0.000 0.757 357 E HN 0.190 nan 8.360 nan 0.000 0.508 358 S N -0.029 115.619 115.700 -0.086 0.000 2.402 358 S HA 0.007 4.478 4.470 0.000 0.000 0.229 358 S C 0.790 174.975 174.600 -0.692 0.000 1.021 358 S CA 1.178 59.127 58.200 -0.419 0.000 0.974 358 S CB -0.146 62.725 63.200 -0.549 0.000 0.800 358 S HN 0.297 nan 8.310 nan 0.000 0.484 359 F N 1.074 121.087 119.950 0.105 0.000 2.457 359 F HA 0.385 4.912 4.527 0.000 0.000 0.173 359 F C 0.274 176.102 175.800 0.047 0.000 1.412 359 F CA -1.110 56.925 58.000 0.059 0.000 1.177 359 F CB -0.289 38.733 39.000 0.037 0.000 1.863 359 F HN -0.056 nan 8.300 nan 0.000 0.272 366 N N 2.061 120.771 118.700 0.017 0.000 2.521 366 N HA 0.095 4.835 4.740 0.000 0.000 0.188 366 N C 0.125 175.643 175.510 0.013 0.000 1.146 366 N CA 0.504 53.563 53.050 0.015 0.000 0.893 366 N CB 0.120 38.614 38.487 0.012 0.000 0.975 366 N HN 0.742 nan 8.380 nan 0.000 0.451 367 T N 1.355 115.916 114.554 0.012 0.000 2.779 367 T HA 0.330 4.680 4.350 0.000 0.000 0.296 367 T C 0.451 175.157 174.700 0.009 0.000 0.938 367 T CA -0.572 61.533 62.100 0.008 0.000 1.119 367 T CB 0.724 69.595 68.868 0.005 0.000 0.891 367 T HN 0.211 nan 8.240 nan 0.000 0.526 368 A N 6.987 129.812 122.820 0.008 0.000 2.591 368 A HA 0.228 4.548 4.320 0.000 0.000 0.244 368 A C -1.782 175.807 177.584 0.009 0.000 1.031 368 A CA -0.815 51.228 52.037 0.011 0.000 0.767 368 A CB -0.420 18.586 19.000 0.009 0.000 0.942 368 A HN 0.523 nan 8.150 nan 0.000 0.514 369 P HA 0.183 nan 4.420 nan 0.000 0.275 369 P C -0.467 176.856 177.300 0.038 0.000 1.227 369 P CA -0.537 62.583 63.100 0.034 0.000 0.781 369 P CB 0.482 32.235 31.700 0.088 0.000 0.906 370 L N 3.704 124.920 121.223 -0.011 0.000 2.700 370 L HA -0.054 4.286 4.340 0.000 0.000 0.272 370 L C 1.098 178.093 176.870 0.208 0.000 1.176 370 L CA 1.120 55.995 54.840 0.057 0.000 0.961 370 L CB -0.876 41.129 42.059 -0.090 0.000 1.249 370 L HN 0.312 nan 8.230 nan 0.000 0.487 371 Q N 6.593 126.456 119.800 0.106 0.000 2.293 371 Q HA 0.187 4.528 4.340 0.000 0.000 0.251 371 Q C -1.404 174.611 176.000 0.026 0.000 0.930 371 Q CA -1.809 54.031 55.803 0.062 0.000 0.893 371 Q CB 0.302 29.052 28.738 0.020 0.000 1.215 371 Q HN 0.366 nan 8.270 nan 0.000 0.425 372 P HA -0.226 nan 4.420 nan 0.000 0.218 372 P C 0.926 178.156 177.300 -0.116 0.000 1.146 372 P CA 1.458 64.460 63.100 -0.163 0.000 0.813 372 P CB 0.306 31.877 31.700 -0.215 0.000 0.778 373 E N -0.193 119.965 120.200 -0.069 0.000 2.285 373 E HA -0.163 4.187 4.350 0.000 0.000 0.194 373 E C 1.846 178.418 176.600 -0.047 0.000 0.997 373 E CA 0.772 57.138 56.400 -0.057 0.000 0.845 373 E CB -0.803 28.870 29.700 -0.044 0.000 0.782 373 E HN 0.369 nan 8.360 nan 0.000 0.491 374 Q N 0.752 120.535 119.800 -0.028 0.000 2.124 374 Q HA -0.021 4.319 4.340 0.000 0.000 0.202 374 Q C 2.409 178.381 176.000 -0.047 0.000 0.977 374 Q CA 0.939 56.727 55.803 -0.024 0.000 0.850 374 Q CB -0.150 28.595 28.738 0.011 0.000 0.901 374 Q HN 0.299 nan 8.270 nan 0.000 0.429 375 L N 0.351 121.564 121.223 -0.017 0.000 2.187 375 L HA -0.262 4.078 4.340 0.000 0.000 0.213 375 L C 2.123 178.970 176.870 -0.037 0.000 1.100 375 L CA 1.069 55.926 54.840 0.027 0.000 0.765 375 L CB -0.365 41.660 42.059 -0.057 0.000 0.904 375 L HN 0.311 nan 8.230 nan 0.000 0.437 376 Q N -0.437 119.320 119.800 -0.073 0.000 2.449 376 Q HA -0.180 4.160 4.340 0.000 0.000 0.214 376 Q C 2.194 178.124 176.000 -0.118 0.000 0.986 376 Q CA 1.511 57.270 55.803 -0.075 0.000 0.893 376 Q CB -0.214 28.489 28.738 -0.058 0.000 0.940 376 Q HN 0.628 nan 8.270 nan 0.000 0.477 377 V N -2.584 117.188 119.914 -0.236 0.000 2.546 377 V HA -0.249 3.871 4.120 0.000 0.000 0.254 377 V C 1.530 177.469 176.094 -0.259 0.000 1.076 377 V CA 1.593 63.718 62.300 -0.292 0.000 1.087 377 V CB -0.962 30.597 31.823 -0.440 0.000 0.674 377 V HN 0.275 nan 8.190 nan 0.000 0.470 378 F N 1.210 121.151 119.950 -0.015 0.000 2.811 378 F HA 0.103 4.630 4.527 0.000 0.000 0.301 378 F C 2.421 178.182 175.800 -0.064 0.000 1.151 378 F CA 0.861 58.833 58.000 -0.047 0.000 1.412 378 F CB -0.196 38.653 39.000 -0.250 0.000 1.113 378 F HN 0.265 nan 8.300 nan 0.000 0.579 379 E N 1.092 121.332 120.200 0.066 0.000 2.118 379 E HA -0.257 4.093 4.350 0.000 0.000 0.195 379 E C 1.976 178.612 176.600 0.060 0.000 0.992 379 E CA 1.953 58.374 56.400 0.036 0.000 0.804 379 E CB -0.264 29.438 29.700 0.003 0.000 0.741 379 E HN 0.406 nan 8.360 nan 0.000 0.458 380 T N -0.749 113.850 114.554 0.075 0.000 3.085 380 T HA -0.001 4.349 4.350 0.000 0.000 0.263 380 T C 0.890 175.656 174.700 0.109 0.000 1.127 380 T CA -0.199 61.947 62.100 0.078 0.000 1.103 380 T CB -0.148 68.762 68.868 0.070 0.000 0.921 380 T HN 0.068 nan 8.240 nan 0.000 0.510 381 L N 2.086 123.410 121.223 0.169 0.000 2.477 381 L HA 0.240 4.580 4.340 0.000 0.000 0.272 381 L C 0.927 177.870 176.870 0.123 0.000 1.157 381 L CA 0.595 55.549 54.840 0.191 0.000 0.889 381 L CB 0.343 42.594 42.059 0.320 0.000 1.158 381 L HN 0.179 nan 8.230 nan 0.000 0.473 382 E N 2.476 122.721 120.200 0.076 0.000 2.399 382 E HA 0.127 4.477 4.350 0.000 0.000 0.205 382 E C -0.262 176.339 176.600 0.000 0.000 0.906 382 E CA 0.079 56.499 56.400 0.033 0.000 0.998 382 E CB 0.740 30.453 29.700 0.022 0.000 1.002 382 E HN 0.668 nan 8.360 nan 0.000 0.501 383 E N 1.045 121.236 120.200 -0.013 0.000 2.275 383 E HA 0.361 4.711 4.350 0.000 0.000 0.270 383 E C -1.406 175.141 176.600 -0.088 0.000 0.882 383 E CA -0.384 55.977 56.400 -0.064 0.000 0.758 383 E CB 1.456 31.096 29.700 -0.101 0.000 1.195 383 E HN -0.040 nan 8.360 nan 0.000 0.419 384 I N 3.911 124.417 120.570 -0.106 0.000 2.354 384 I HA 0.149 4.319 4.170 0.000 0.000 0.292 384 I C 1.481 177.505 176.117 -0.155 0.000 0.989 384 I CA -0.316 60.904 61.300 -0.133 0.000 1.188 384 I CB 1.830 39.741 38.000 -0.147 0.000 1.342 384 I HN 0.725 nan 8.210 nan 0.000 0.457 385 T N 1.196 115.626 114.554 -0.206 0.000 3.055 385 T HA 0.087 4.437 4.350 0.000 0.000 0.265 385 T C 1.072 175.712 174.700 -0.100 0.000 1.111 385 T CA 0.578 62.563 62.100 -0.192 0.000 1.118 385 T CB 0.061 68.757 68.868 -0.287 0.000 0.909 385 T HN 0.680 nan 8.240 nan 0.000 0.501 386 G N 0.809 109.547 108.800 -0.103 0.000 3.411 386 G HA2 0.541 4.501 3.960 0.000 0.000 0.186 386 G HA3 0.541 4.501 3.960 0.000 0.000 0.186 386 G C -0.399 174.487 174.900 -0.023 0.000 1.766 386 G CA -0.416 44.635 45.100 -0.083 0.000 0.971 386 G HN 0.635 nan 8.290 nan 0.000 0.590 387 Y N -2.157 118.152 120.300 0.015 0.000 2.662 387 Y HA 0.810 5.360 4.550 0.000 0.000 0.335 387 Y C -1.235 174.656 175.900 -0.015 0.000 1.066 387 Y CA -1.969 56.149 58.100 0.029 0.000 1.116 387 Y CB 1.594 40.119 38.460 0.107 0.000 1.308 387 Y HN 0.428 nan 8.280 nan 0.000 0.502 388 L N 2.473 123.840 121.223 0.240 0.000 2.376 388 L HA 0.504 4.845 4.340 0.000 0.000 0.275 388 L C -2.027 174.990 176.870 0.244 0.000 0.987 388 L CA -0.891 53.999 54.840 0.082 0.000 0.828 388 L CB 1.345 43.283 42.059 -0.201 0.000 1.249 388 L HN 0.754 nan 8.230 nan 0.000 0.409 389 Y N 5.986 126.371 120.300 0.142 0.000 2.338 389 Y HA 0.750 5.300 4.550 0.000 0.000 0.333 389 Y C -1.228 174.736 175.900 0.106 0.000 0.968 389 Y CA -0.849 57.277 58.100 0.043 0.000 1.123 389 Y CB 1.340 39.767 38.460 -0.054 0.000 1.165 389 Y HN 0.506 nan 8.280 nan 0.000 0.452 390 I N 6.156 126.561 120.570 -0.274 0.000 2.476 390 I HA 0.254 4.424 4.170 0.000 0.000 0.281 390 I C -0.025 175.915 176.117 -0.295 0.000 1.040 390 I CA -0.431 60.797 61.300 -0.120 0.000 1.094 390 I CB 1.855 39.745 38.000 -0.184 0.000 1.219 390 I HN 0.733 nan 8.210 nan 0.000 0.450 391 S N 3.253 118.873 115.700 -0.132 0.000 2.733 391 S HA 0.695 5.165 4.470 0.000 0.000 0.247 391 S C 0.187 174.843 174.600 0.095 0.000 1.043 391 S CA -0.184 57.937 58.200 -0.131 0.000 1.066 391 S CB 0.869 63.976 63.200 -0.156 0.000 1.045 391 S HN 0.690 nan 8.310 nan 0.000 0.586 392 A N 0.784 123.758 122.820 0.258 0.000 2.604 392 A HA 0.694 5.014 4.320 0.000 0.000 0.295 392 A C -2.053 175.805 177.584 0.455 0.000 1.067 392 A CA -0.562 51.673 52.037 0.330 0.000 0.683 392 A CB 1.100 20.359 19.000 0.432 0.000 1.281 392 A HN 0.606 nan 8.150 nan 0.000 0.407 393 W N 1.941 123.121 121.300 -0.199 0.000 4.150 393 W HA 0.348 5.008 4.660 0.000 0.000 0.264 393 W C -3.321 172.828 176.519 -0.617 0.000 1.296 393 W CA -1.267 55.778 57.345 -0.500 0.000 1.270 393 W CB 1.121 30.432 29.460 -0.247 0.000 1.214 393 W HN 0.545 nan 8.180 nan 0.000 0.538 394 P HA -0.039 nan 4.420 nan 0.000 0.255 394 P C 0.753 177.823 177.300 -0.385 0.000 1.173 394 P CA 0.881 63.512 63.100 -0.781 0.000 0.780 394 P CB 0.511 31.704 31.700 -0.844 0.000 0.758 395 D N 2.051 122.313 120.400 -0.231 0.000 2.200 395 D HA -0.222 4.418 4.640 0.000 0.000 0.192 395 D C 1.771 177.990 176.300 -0.135 0.000 1.008 395 D CA 2.204 56.127 54.000 -0.128 0.000 0.872 395 D CB -0.526 40.219 40.800 -0.092 0.000 0.923 395 D HN 0.453 nan 8.370 nan 0.000 0.447 396 S N -0.368 115.235 115.700 -0.162 0.000 2.474 396 S HA -0.086 4.384 4.470 0.000 0.000 0.235 396 S C 1.012 175.527 174.600 -0.141 0.000 0.997 396 S CA 0.163 58.281 58.200 -0.136 0.000 0.949 396 S CB -0.266 62.857 63.200 -0.127 0.000 0.766 396 S HN 0.178 nan 8.310 nan 0.000 0.517 397 L N 1.854 122.973 121.223 -0.173 0.000 2.272 397 L HA 0.418 4.758 4.340 0.000 0.000 0.289 397 L C -1.966 174.829 176.870 -0.124 0.000 1.032 397 L CA -2.106 52.654 54.840 -0.134 0.000 0.810 397 L CB 1.734 43.703 42.059 -0.151 0.000 1.205 397 L HN 0.005 nan 8.230 nan 0.000 0.422 398 P HA 0.034 nan 4.420 nan 0.000 0.245 398 P C -0.788 175.978 177.300 -0.890 0.000 1.203 398 P CA 0.520 63.275 63.100 -0.576 0.000 0.792 398 P CB 0.193 31.422 31.700 -0.784 0.000 0.997 399 D N -1.632 118.427 120.400 -0.569 0.000 2.825 399 D HA 0.097 4.737 4.640 0.000 0.000 0.327 399 D C -0.236 175.978 176.300 -0.142 0.000 1.277 399 D CA -0.730 52.954 54.000 -0.527 0.000 0.950 399 D CB 0.105 40.472 40.800 -0.721 0.000 1.438 399 D HN -0.188 nan 8.370 nan 0.000 0.526 400 L N 1.131 122.265 121.223 -0.148 0.000 2.851 400 L HA 0.185 4.525 4.340 0.000 0.000 0.237 400 L C 1.576 178.483 176.870 0.062 0.000 1.257 400 L CA -0.009 54.789 54.840 -0.070 0.000 1.061 400 L CB -0.280 41.690 42.059 -0.147 0.000 1.372 400 L HN 0.450 nan 8.230 nan 0.000 0.493 401 S N -1.003 114.732 115.700 0.058 0.000 2.507 401 S HA -0.126 4.344 4.470 0.000 0.000 0.235 401 S C 1.912 176.511 174.600 -0.001 0.000 0.988 401 S CA 0.772 59.001 58.200 0.048 0.000 0.944 401 S CB -0.487 62.762 63.200 0.081 0.000 0.762 401 S HN 0.430 nan 8.310 nan 0.000 0.526 402 V N -1.488 118.403 119.914 -0.039 0.000 2.688 402 V HA 0.044 4.164 4.120 0.000 0.000 0.256 402 V C 1.555 177.448 176.094 -0.334 0.000 1.084 402 V CA 1.286 63.478 62.300 -0.180 0.000 1.103 402 V CB -1.365 30.333 31.823 -0.209 0.000 0.688 402 V HN 0.517 nan 8.190 nan 0.000 0.480 403 F N -0.004 119.961 119.950 0.025 0.000 2.660 403 F HA 0.316 4.843 4.527 0.000 0.000 0.302 403 F C 2.278 178.017 175.800 -0.102 0.000 1.103 403 F CA 0.139 58.107 58.000 -0.053 0.000 1.340 403 F CB -0.222 38.690 39.000 -0.147 0.000 1.048 403 F HN 0.109 nan 8.300 nan 0.000 0.551 404 Q N 0.688 120.501 119.800 0.022 0.000 2.268 404 Q HA -0.250 4.090 4.340 0.000 0.000 0.210 404 Q C 0.722 176.685 176.000 -0.061 0.000 0.988 404 Q CA 1.677 57.453 55.803 -0.045 0.000 0.883 404 Q CB -0.306 28.417 28.738 -0.025 0.000 0.911 404 Q HN 0.598 nan 8.270 nan 0.000 0.430 405 N N -0.445 118.250 118.700 -0.009 0.000 2.214 405 N HA 0.112 4.852 4.740 0.000 0.000 0.214 405 N C -0.883 174.630 175.510 0.006 0.000 1.132 405 N CA -0.389 52.656 53.050 -0.008 0.000 0.856 405 N CB 0.583 39.080 38.487 0.015 0.000 1.020 405 N HN 0.015 nan 8.380 nan 0.000 0.509 406 L N 1.577 122.808 121.223 0.014 0.000 2.369 406 L HA 0.101 4.441 4.340 0.000 0.000 0.279 406 L C 0.898 177.723 176.870 -0.076 0.000 1.108 406 L CA 0.590 55.431 54.840 0.002 0.000 0.852 406 L CB 0.745 42.817 42.059 0.023 0.000 1.169 406 L HN 0.110 nan 8.230 nan 0.000 0.452 407 Q N 3.970 123.738 119.800 -0.053 0.000 2.349 407 Q HA 0.240 4.580 4.340 0.000 0.000 0.209 407 Q C -0.591 175.383 176.000 -0.042 0.000 0.920 407 Q CA 0.653 56.423 55.803 -0.054 0.000 0.901 407 Q CB 0.791 29.513 28.738 -0.027 0.000 1.021 407 Q HN 0.631 nan 8.270 nan 0.000 0.519 408 V N -1.505 118.386 119.914 -0.038 0.000 2.697 408 V HA 0.448 4.568 4.120 0.000 0.000 0.296 408 V C -1.000 175.074 176.094 -0.034 0.000 1.140 408 V CA -0.879 61.410 62.300 -0.019 0.000 0.921 408 V CB 1.025 32.842 31.823 -0.010 0.000 1.036 408 V HN 0.036 nan 8.190 nan 0.000 0.438 409 I N 5.113 125.675 120.570 -0.013 0.000 2.304 409 I HA 0.516 4.686 4.170 0.000 0.000 0.291 409 I C 1.474 177.605 176.117 0.023 0.000 1.018 409 I CA -0.341 60.950 61.300 -0.013 0.000 1.260 409 I CB 1.513 39.516 38.000 0.006 0.000 1.390 409 I HN 0.665 nan 8.210 nan 0.000 0.475 410 R N 4.236 124.730 120.500 -0.010 0.000 2.127 410 R HA 0.096 4.436 4.340 0.000 0.000 0.217 410 R C 1.247 177.557 176.300 0.018 0.000 1.074 410 R CA 0.630 56.726 56.100 -0.006 0.000 0.991 410 R CB -0.041 30.216 30.300 -0.071 0.000 0.895 410 R HN 0.983 nan 8.270 nan 0.000 0.450 411 G N 2.158 110.978 108.800 0.033 0.000 2.314 411 G HA2 -0.291 3.669 3.960 0.000 0.000 0.292 411 G HA3 -0.291 3.669 3.960 0.000 0.000 0.292 411 G C 0.520 175.425 174.900 0.009 0.000 1.059 411 G CA 0.265 45.404 45.100 0.066 0.000 0.982 411 G HN 0.321 nan 8.290 nan 0.000 0.505 412 R N -1.005 119.478 120.500 -0.027 0.000 2.299 412 R HA 0.265 4.606 4.340 0.000 0.000 0.197 412 R C 0.916 177.216 176.300 0.000 0.000 0.971 412 R CA 0.670 56.724 56.100 -0.077 0.000 1.030 412 R CB 0.413 30.658 30.300 -0.092 0.000 0.932 412 R HN 0.575 nan 8.270 nan 0.000 0.477 413 I N 1.092 121.707 120.570 0.075 0.000 2.619 413 I HA 0.328 4.498 4.170 0.000 0.000 0.292 413 I C -0.843 175.455 176.117 0.302 0.000 1.100 413 I CA -0.748 60.648 61.300 0.160 0.000 1.043 413 I CB 2.474 40.580 38.000 0.177 0.000 1.239 413 I HN -0.205 nan 8.210 nan 0.000 0.420 414 L N 4.384 125.747 121.223 0.233 0.000 2.381 414 L HA 0.453 4.793 4.340 0.000 0.000 0.268 414 L C -0.020 176.766 176.870 -0.140 0.000 0.997 414 L CA -0.803 54.114 54.840 0.128 0.000 0.818 414 L CB 2.007 44.076 42.059 0.017 0.000 1.310 414 L HN 0.596 nan 8.230 nan 0.000 0.416 415 H N 4.171 122.872 119.070 -0.616 0.000 2.964 415 H HA -0.034 4.522 4.556 0.000 0.000 0.328 415 H C 0.228 175.444 175.328 -0.187 0.000 1.030 415 H CA 0.675 56.248 56.048 -0.791 0.000 1.445 415 H CB 0.757 30.068 29.762 -0.752 0.000 1.449 415 H HN 0.683 nan 8.280 nan 0.000 0.581 416 N N 3.004 121.277 118.700 -0.711 0.000 2.732 416 N HA -0.202 4.538 4.740 0.000 0.000 0.250 416 N C 1.063 176.494 175.510 -0.132 0.000 1.097 416 N CA 1.614 54.466 53.050 -0.330 0.000 0.812 416 N CB -1.389 36.990 38.487 -0.181 0.000 1.148 416 N HN 0.992 nan 8.380 nan 0.000 0.572 417 G N -2.149 106.578 108.800 -0.122 0.000 2.166 417 G HA2 -0.186 3.774 3.960 0.000 0.000 0.260 417 G HA3 -0.186 3.774 3.960 0.000 0.000 0.260 417 G C 0.796 175.612 174.900 -0.140 0.000 0.986 417 G CA 1.364 46.417 45.100 -0.079 0.000 0.683 417 G HN 1.166 nan 8.290 nan 0.000 0.527 418 A N -1.648 121.042 122.820 -0.217 0.000 2.048 418 A HA 0.680 5.000 4.320 0.000 0.000 0.197 418 A C 0.347 177.599 177.584 -0.555 0.000 1.486 418 A CA 0.677 52.422 52.037 -0.488 0.000 1.029 418 A CB 0.650 19.166 19.000 -0.806 0.000 1.101 418 A HN 0.685 nan 8.150 nan 0.000 0.470 419 Y N 0.129 120.415 120.300 -0.023 0.000 2.376 419 Y HA 0.439 4.989 4.550 0.000 0.000 0.340 419 Y C 1.260 177.195 175.900 0.058 0.000 0.965 419 Y CA -0.211 57.898 58.100 0.015 0.000 1.078 419 Y CB 2.127 40.618 38.460 0.052 0.000 1.193 419 Y HN 0.148 nan 8.280 nan 0.000 0.452 420 S N 1.475 117.316 115.700 0.236 0.000 2.497 420 S HA 0.225 4.695 4.470 0.000 0.000 0.218 420 S C -0.223 174.521 174.600 0.239 0.000 1.023 420 S CA 0.012 58.361 58.200 0.248 0.000 0.913 420 S CB 0.415 63.730 63.200 0.191 0.000 0.800 420 S HN 0.433 nan 8.310 nan 0.000 0.505 421 L N 2.170 123.514 121.223 0.201 0.000 2.356 421 L HA 0.716 5.056 4.340 0.000 0.000 0.277 421 L C -1.426 175.489 176.870 0.075 0.000 0.996 421 L CA 0.158 55.075 54.840 0.128 0.000 0.822 421 L CB 1.992 44.126 42.059 0.125 0.000 1.256 421 L HN 0.074 nan 8.230 nan 0.000 0.413 422 T N 6.288 120.843 114.554 0.001 0.000 2.879 422 T HA 0.667 5.017 4.350 0.000 0.000 0.290 422 T C -0.839 173.718 174.700 -0.238 0.000 0.993 422 T CA -0.293 61.728 62.100 -0.133 0.000 0.975 422 T CB 1.116 69.884 68.868 -0.167 0.000 0.981 422 T HN 0.454 nan 8.240 nan 0.000 0.439 423 L N 4.435 125.525 121.223 -0.222 0.000 2.446 423 L HA 0.523 4.863 4.340 0.000 0.000 0.268 423 L C -0.623 176.077 176.870 -0.282 0.000 0.975 423 L CA -0.765 53.926 54.840 -0.248 0.000 0.848 423 L CB 1.554 43.511 42.059 -0.170 0.000 1.225 423 L HN 0.666 nan 8.230 nan 0.000 0.410 424 Q N 1.763 121.342 119.800 -0.368 0.000 2.284 424 Q HA 0.629 4.969 4.340 0.000 0.000 0.269 424 Q C 0.205 176.014 176.000 -0.319 0.000 1.026 424 Q CA -0.696 54.798 55.803 -0.514 0.000 0.831 424 Q CB 2.289 30.558 28.738 -0.782 0.000 1.322 424 Q HN 0.664 nan 8.270 nan 0.000 0.419 425 G N 2.174 110.832 108.800 -0.237 0.000 2.298 425 G HA2 -0.229 3.731 3.960 0.000 0.000 0.287 425 G HA3 -0.229 3.731 3.960 0.000 0.000 0.287 425 G C 0.013 174.884 174.900 -0.049 0.000 1.075 425 G CA 0.498 45.533 45.100 -0.108 0.000 0.960 425 G HN 0.633 nan 8.290 nan 0.000 0.502 426 L N -1.017 120.179 121.223 -0.045 0.000 2.575 426 L HA 0.341 4.681 4.340 0.000 0.000 0.228 426 L C 2.489 179.392 176.870 0.055 0.000 1.075 426 L CA 0.849 55.688 54.840 -0.001 0.000 0.867 426 L CB -0.029 41.993 42.059 -0.062 0.000 1.097 426 L HN 1.041 nan 8.230 nan 0.000 0.485 427 G N 1.712 110.565 108.800 0.088 0.000 2.347 427 G HA2 -0.341 3.619 3.960 0.000 0.000 0.247 427 G HA3 -0.341 3.619 3.960 0.000 0.000 0.247 427 G C 0.627 175.616 174.900 0.149 0.000 1.037 427 G CA 0.468 45.687 45.100 0.199 0.000 0.622 427 G HN 0.434 nan 8.290 nan 0.000 0.521 428 I N -0.407 120.188 120.570 0.043 0.000 2.932 428 I HA 0.471 4.641 4.170 0.000 0.000 0.295 428 I C 1.216 177.311 176.117 -0.036 0.000 1.227 428 I CA 0.768 62.026 61.300 -0.069 0.000 1.429 428 I CB 0.648 38.551 38.000 -0.162 0.000 1.339 428 I HN -0.033 nan 8.210 nan 0.000 0.589 429 S N 3.110 118.708 115.700 -0.170 0.000 2.483 429 S HA 0.188 4.658 4.470 0.000 0.000 0.221 429 S C -0.230 174.588 174.600 0.364 0.000 1.030 429 S CA 0.108 58.361 58.200 0.088 0.000 0.925 429 S CB -0.039 63.236 63.200 0.126 0.000 0.795 429 S HN 0.856 nan 8.310 nan 0.000 0.511 430 W N -1.176 120.200 121.300 0.127 0.000 3.018 430 W HA 0.652 5.312 4.660 0.000 0.000 0.352 430 W C -0.190 176.383 176.519 0.091 0.000 1.230 430 W CA -0.874 56.556 57.345 0.140 0.000 1.162 430 W CB 0.134 29.589 29.460 -0.008 0.000 1.483 430 W HN -0.250 nan 8.180 nan 0.000 0.584 431 L N 1.464 122.922 121.223 0.392 0.000 2.084 431 L HA 0.259 4.599 4.340 0.000 0.000 0.202 431 L C 1.979 178.996 176.870 0.245 0.000 1.074 431 L CA 1.169 56.172 54.840 0.270 0.000 0.757 431 L CB -0.953 41.376 42.059 0.450 0.000 0.918 431 L HN 1.122 nan 8.230 nan 0.000 0.444 432 G N 0.553 109.612 108.800 0.432 0.000 2.179 432 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 432 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 432 G C 0.356 175.222 174.900 -0.058 0.000 1.010 432 G CA 0.071 45.333 45.100 0.269 0.000 0.736 432 G HN 0.259 nan 8.290 nan 0.000 0.513 433 L N 0.586 121.623 121.223 -0.310 0.000 2.727 433 L HA 0.229 4.570 4.340 0.000 0.000 0.237 433 L C 2.225 178.199 176.870 -1.493 0.000 1.370 433 L CA 0.136 54.501 54.840 -0.791 0.000 1.248 433 L CB -0.155 41.362 42.059 -0.902 0.000 1.556 433 L HN 0.491 nan 8.230 nan 0.000 0.420 434 R N -2.325 117.656 120.500 -0.864 0.000 2.316 434 R HA -0.004 4.336 4.340 0.000 0.000 0.202 434 R C 1.245 177.246 176.300 -0.498 0.000 1.029 434 R CA 0.776 56.414 56.100 -0.771 0.000 1.018 434 R CB -0.161 30.010 30.300 -0.215 0.000 0.888 434 R HN 0.192 nan 8.270 nan 0.000 0.471 435 S N 0.589 116.025 115.700 -0.441 0.000 2.535 435 S HA 0.121 4.592 4.470 0.000 0.000 0.214 435 S C 0.180 174.635 174.600 -0.242 0.000 0.980 435 S CA -0.544 57.511 58.200 -0.241 0.000 0.907 435 S CB 0.183 63.299 63.200 -0.140 0.000 0.790 435 S HN 0.246 nan 8.310 nan 0.000 0.510 436 L N 4.204 125.165 121.223 -0.437 0.000 2.369 436 L HA 0.273 4.613 4.340 0.000 0.000 0.279 436 L C 1.051 177.888 176.870 -0.054 0.000 1.108 436 L CA 0.211 54.891 54.840 -0.267 0.000 0.852 436 L CB 0.355 42.186 42.059 -0.380 0.000 1.169 436 L HN 0.123 nan 8.230 nan 0.000 0.452 437 R N 2.712 123.205 120.500 -0.012 0.000 2.404 437 R HA 0.329 4.669 4.340 0.000 0.000 0.237 437 R C -0.118 176.198 176.300 0.026 0.000 0.907 437 R CA -0.218 55.896 56.100 0.023 0.000 1.063 437 R CB 0.401 30.709 30.300 0.014 0.000 1.134 437 R HN 0.610 nan 8.270 nan 0.000 0.529 438 E N 1.290 121.513 120.200 0.039 0.000 2.290 438 E HA 0.313 4.663 4.350 0.000 0.000 0.274 438 E C -1.486 175.177 176.600 0.105 0.000 0.889 438 E CA -0.679 55.765 56.400 0.074 0.000 0.760 438 E CB 1.932 31.689 29.700 0.094 0.000 1.206 438 E HN 0.156 nan 8.360 nan 0.000 0.419 439 L N 5.008 126.327 121.223 0.160 0.000 2.335 439 L HA 0.371 4.711 4.340 0.000 0.000 0.268 439 L C 1.437 178.456 176.870 0.249 0.000 1.037 439 L CA -0.476 54.501 54.840 0.228 0.000 0.895 439 L CB 1.103 43.371 42.059 0.348 0.000 1.266 439 L HN 0.946 nan 8.230 nan 0.000 0.439 440 G N 1.926 110.842 108.800 0.192 0.000 2.606 440 G HA2 -0.262 3.698 3.960 0.000 0.000 0.221 440 G HA3 -0.262 3.698 3.960 0.000 0.000 0.221 440 G C 0.701 175.735 174.900 0.223 0.000 1.152 440 G CA 1.272 46.504 45.100 0.221 0.000 0.765 440 G HN 0.603 nan 8.290 nan 0.000 0.595 441 S N -3.309 112.486 115.700 0.158 0.000 2.683 441 S HA 0.589 5.059 4.470 0.000 0.000 0.269 441 S C -0.239 174.411 174.600 0.082 0.000 1.165 441 S CA 0.441 58.711 58.200 0.116 0.000 0.840 441 S CB 1.154 64.402 63.200 0.080 0.000 1.169 441 S HN 2.230 nan 8.310 nan 0.000 0.490 442 G N -0.108 108.695 108.800 0.006 0.000 2.746 442 G HA2 0.033 3.993 3.960 0.000 0.000 0.685 442 G HA3 0.033 3.993 3.960 0.000 0.000 0.685 442 G C -1.101 173.755 174.900 -0.074 0.000 1.350 442 G CA -0.350 44.729 45.100 -0.036 0.000 0.837 442 G HN 1.092 nan 8.290 nan 0.000 0.564 443 L N 0.206 121.360 121.223 -0.115 0.000 2.365 443 L HA 0.795 5.136 4.340 0.000 0.000 0.267 443 L C 0.992 177.949 176.870 0.145 0.000 1.033 443 L CA -0.604 54.174 54.840 -0.103 0.000 0.802 443 L CB 1.736 43.674 42.059 -0.202 0.000 1.267 443 L HN 1.237 nan 8.230 nan 0.000 0.457 444 A N 1.741 124.617 122.820 0.094 0.000 2.330 444 A HA 0.699 5.019 4.320 0.000 0.000 0.327 444 A C -1.228 176.340 177.584 -0.026 0.000 1.155 444 A CA -0.367 51.691 52.037 0.035 0.000 0.803 444 A CB 1.390 20.290 19.000 -0.166 0.000 1.208 444 A HN 0.472 nan 8.150 nan 0.000 0.477 445 L N 3.719 124.907 121.223 -0.059 0.000 2.415 445 L HA 0.626 4.966 4.340 0.000 0.000 0.268 445 L C -1.426 175.406 176.870 -0.064 0.000 0.984 445 L CA -0.007 54.760 54.840 -0.123 0.000 0.853 445 L CB 0.803 42.591 42.059 -0.451 0.000 1.215 445 L HN 0.573 nan 8.230 nan 0.000 0.419 446 I N 6.426 126.982 120.570 -0.022 0.000 2.428 446 I HA 0.369 4.539 4.170 0.000 0.000 0.279 446 I C -0.678 175.503 176.117 0.106 0.000 1.040 446 I CA -0.536 60.763 61.300 -0.001 0.000 1.171 446 I CB 0.358 38.326 38.000 -0.053 0.000 1.312 446 I HN 0.639 nan 8.210 nan 0.000 0.470 447 H N 4.452 123.507 119.070 -0.025 0.000 2.797 447 H HA 0.441 4.997 4.556 0.000 0.000 0.372 447 H C -0.014 175.370 175.328 0.095 0.000 1.168 447 H CA -0.777 55.298 56.048 0.046 0.000 1.163 447 H CB 1.254 31.101 29.762 0.142 0.000 1.778 447 H HN 0.533 nan 8.280 nan 0.000 0.551 448 H N 0.387 119.417 119.070 -0.067 0.000 2.791 448 H HA -0.141 4.415 4.556 0.000 0.000 0.302 448 H C -0.716 174.518 175.328 -0.157 0.000 1.198 448 H CA 0.650 56.624 56.048 -0.122 0.000 1.145 448 H CB -1.373 28.301 29.762 -0.147 0.000 1.385 448 H HN 0.607 nan 8.280 nan 0.000 0.409 449 N N 1.231 119.883 118.700 -0.080 0.000 2.955 449 N HA 0.055 4.795 4.740 0.000 0.000 0.242 449 N C 1.105 176.556 175.510 -0.100 0.000 1.123 449 N CA 0.098 53.103 53.050 -0.075 0.000 0.949 449 N CB 1.024 39.477 38.487 -0.056 0.000 1.214 449 N HN 0.190 nan 8.380 nan 0.000 0.504 450 T N 0.599 115.038 114.554 -0.192 0.000 2.668 450 T HA -0.239 4.111 4.350 0.000 0.000 0.265 450 T C 0.846 175.361 174.700 -0.308 0.000 1.041 450 T CA 1.837 63.730 62.100 -0.344 0.000 1.160 450 T CB -0.201 68.280 68.868 -0.645 0.000 0.857 450 T HN 0.657 nan 8.240 nan 0.000 0.455 451 H N -0.944 118.141 119.070 0.026 0.000 2.755 451 H HA 0.442 4.998 4.556 0.000 0.000 0.273 451 H C 0.162 175.540 175.328 0.082 0.000 1.055 451 H CA -0.597 55.481 56.048 0.050 0.000 1.191 451 H CB 0.141 29.931 29.762 0.047 0.000 1.536 451 H HN 0.161 nan 8.280 nan 0.000 0.529 452 L N 2.075 123.389 121.223 0.152 0.000 2.485 452 L HA 0.143 4.483 4.340 0.000 0.000 0.279 452 L C -0.268 176.702 176.870 0.166 0.000 1.124 452 L CA -0.101 54.836 54.840 0.161 0.000 0.888 452 L CB -0.555 41.558 42.059 0.090 0.000 1.217 452 L HN 0.283 nan 8.230 nan 0.000 0.464 453 c N 3.659 122.406 118.600 0.246 0.000 2.551 453 c HA 0.458 5.028 4.570 0.000 0.000 0.377 453 c C 0.418 174.678 174.090 0.283 0.000 1.622 453 c CA -0.514 55.899 56.329 0.139 0.000 1.980 453 c CB 0.201 42.711 42.510 -0.001 0.000 1.946 453 c HN 0.878 nan 8.230 nan 0.000 0.525 454 F N -0.587 119.418 119.950 0.091 0.000 3.039 454 F HA -0.157 4.370 4.527 0.000 0.000 0.287 454 F C 0.770 176.574 175.800 0.007 0.000 0.956 454 F CA 0.315 58.345 58.000 0.050 0.000 0.971 454 F CB -1.710 37.352 39.000 0.103 0.000 0.943 454 F HN 0.317 nan 8.300 nan 0.000 0.766 455 V N -1.227 118.704 119.914 0.029 0.000 3.013 455 V HA -0.012 4.108 4.120 0.000 0.000 0.238 455 V C 1.728 177.699 176.094 -0.206 0.000 1.161 455 V CA 1.080 63.330 62.300 -0.083 0.000 1.170 455 V CB -0.055 31.605 31.823 -0.273 0.000 0.917 455 V HN 0.430 nan 8.190 nan 0.000 0.478 456 H N -0.538 118.555 119.070 0.039 0.000 2.567 456 H HA 0.254 4.811 4.556 0.000 0.000 0.294 456 H C 1.409 176.721 175.328 -0.026 0.000 1.050 456 H CA 0.475 56.526 56.048 0.006 0.000 1.168 456 H CB 0.526 30.240 29.762 -0.080 0.000 1.422 456 H HN 0.262 nan 8.280 nan 0.000 0.562 457 T N -0.001 114.533 114.554 -0.034 0.000 2.999 457 T HA 0.110 4.461 4.350 0.000 0.000 0.247 457 T C 0.843 175.391 174.700 -0.254 0.000 1.012 457 T CA 0.010 62.076 62.100 -0.057 0.000 1.048 457 T CB 0.595 69.473 68.868 0.017 0.000 1.020 457 T HN -0.038 nan 8.240 nan 0.000 0.478 458 V N 5.285 124.856 119.914 -0.571 0.000 2.530 458 V HA 0.267 4.387 4.120 0.000 0.000 0.282 458 V C -2.140 173.320 176.094 -1.056 0.000 1.048 458 V CA -1.767 59.824 62.300 -1.181 0.000 0.997 458 V CB 1.012 31.620 31.823 -2.024 0.000 0.987 458 V HN 0.202 nan 8.190 nan 0.000 0.477 459 P HA 0.078 nan 4.420 nan 0.000 0.244 459 P C 0.455 177.384 177.300 -0.619 0.000 1.769 459 P CA -0.193 62.425 63.100 -0.803 0.000 1.102 459 P CB -0.041 31.003 31.700 -1.094 0.000 1.937 460 W N 1.497 122.566 121.300 -0.386 0.000 2.305 460 W HA -0.228 4.432 4.660 0.000 0.000 0.308 460 W C 2.202 178.382 176.519 -0.565 0.000 1.226 460 W CA 1.245 58.281 57.345 -0.515 0.000 1.253 460 W CB -1.105 28.164 29.460 -0.320 0.000 1.146 460 W HN 0.287 nan 8.180 nan 0.000 0.507 461 D N 0.106 120.493 120.400 -0.022 0.000 2.242 461 D HA -0.297 4.343 4.640 0.000 0.000 0.190 461 D C 1.804 178.074 176.300 -0.049 0.000 1.012 461 D CA 2.276 56.302 54.000 0.044 0.000 0.875 461 D CB -0.258 40.547 40.800 0.008 0.000 0.922 461 D HN 0.362 nan 8.370 nan 0.000 0.448 462 Q N -0.990 118.710 119.800 -0.166 0.000 2.187 462 Q HA -0.060 4.280 4.340 0.000 0.000 0.199 462 Q C 2.054 177.972 176.000 -0.136 0.000 0.957 462 Q CA 0.387 56.105 55.803 -0.142 0.000 0.857 462 Q CB 0.191 28.822 28.738 -0.178 0.000 0.929 462 Q HN 0.255 nan 8.270 nan 0.000 0.453 463 L N -0.688 120.389 121.223 -0.243 0.000 2.240 463 L HA 0.045 4.386 4.340 0.000 0.000 0.211 463 L C 0.597 177.429 176.870 -0.063 0.000 1.106 463 L CA 1.062 55.799 54.840 -0.171 0.000 0.793 463 L CB -1.056 40.892 42.059 -0.184 0.000 0.927 463 L HN 0.090 nan 8.230 nan 0.000 0.446 464 F N 0.013 120.013 119.950 0.084 0.000 2.406 464 F HA 0.222 4.749 4.527 0.000 0.000 0.327 464 F C 1.631 177.424 175.800 -0.010 0.000 1.153 464 F CA -0.510 57.525 58.000 0.057 0.000 1.218 464 F CB 0.730 39.762 39.000 0.054 0.000 1.215 464 F HN -0.153 nan 8.300 nan 0.000 0.570 465 R N 0.814 121.429 120.500 0.192 0.000 2.521 465 R HA 0.126 4.466 4.340 0.000 0.000 0.289 465 R C -0.734 175.530 176.300 -0.060 0.000 0.936 465 R CA -0.010 56.056 56.100 -0.057 0.000 1.089 465 R CB -0.223 29.952 30.300 -0.208 0.000 1.348 465 R HN 0.768 nan 8.270 nan 0.000 0.536 466 N N -0.140 118.584 118.700 0.040 0.000 2.357 466 N HA 0.292 5.032 4.740 0.000 0.000 0.284 466 N C -2.382 173.120 175.510 -0.014 0.000 1.236 466 N CA -1.412 51.654 53.050 0.027 0.000 0.774 466 N CB 3.227 41.772 38.487 0.097 0.000 1.534 466 N HN -0.356 nan 8.380 nan 0.000 0.478 467 P HA -0.053 nan 4.420 nan 0.000 0.234 467 P C 0.429 177.608 177.300 -0.201 0.000 1.167 467 P CA 0.928 63.953 63.100 -0.125 0.000 0.763 467 P CB -0.115 31.490 31.700 -0.158 0.000 0.835 468 H N -0.448 118.575 119.070 -0.078 0.000 2.547 468 H HA 0.197 4.753 4.556 0.000 0.000 0.266 468 H C 0.648 175.826 175.328 -0.250 0.000 0.988 468 H CA 0.458 56.437 56.048 -0.115 0.000 1.147 468 H CB 0.222 29.918 29.762 -0.111 0.000 1.365 468 H HN 0.395 nan 8.280 nan 0.000 0.589 469 Q N -0.055 119.570 119.800 -0.292 0.000 2.257 469 Q HA 0.695 5.035 4.340 0.000 0.000 0.262 469 Q C -0.598 174.783 176.000 -1.031 0.000 0.997 469 Q CA -0.735 54.639 55.803 -0.715 0.000 0.873 469 Q CB 2.855 31.052 28.738 -0.902 0.000 1.312 469 Q HN 0.242 nan 8.270 nan 0.000 0.450 470 A N 1.343 123.433 122.820 -1.217 0.000 2.511 470 A HA 0.524 4.844 4.320 0.000 0.000 0.293 470 A C -2.092 175.250 177.584 -0.403 0.000 1.098 470 A CA -0.683 50.880 52.037 -0.790 0.000 0.643 470 A CB 1.207 19.682 19.000 -0.875 0.000 1.302 470 A HN 0.566 nan 8.150 nan 0.000 0.446 471 L N 1.431 122.599 121.223 -0.091 0.000 2.287 471 L HA 0.656 4.997 4.340 0.000 0.000 0.287 471 L C -1.553 175.284 176.870 -0.054 0.000 1.022 471 L CA -0.520 54.232 54.840 -0.148 0.000 0.814 471 L CB 0.640 42.447 42.059 -0.419 0.000 1.217 471 L HN 0.691 nan 8.230 nan 0.000 0.420 472 L N 5.548 126.722 121.223 -0.081 0.000 2.322 472 L HA 0.491 4.831 4.340 0.000 0.000 0.281 472 L C -1.146 175.711 176.870 -0.022 0.000 1.014 472 L CA -0.738 54.053 54.840 -0.082 0.000 0.815 472 L CB 1.596 43.632 42.059 -0.039 0.000 1.247 472 L HN 0.710 nan 8.230 nan 0.000 0.421 473 H N -0.134 118.937 119.070 0.002 0.000 3.137 473 H HA 0.666 5.222 4.556 0.000 0.000 0.336 473 H C -1.209 174.154 175.328 0.059 0.000 1.055 473 H CA -0.696 55.377 56.048 0.041 0.000 1.349 473 H CB 1.736 31.553 29.762 0.091 0.000 1.939 473 H HN 0.422 nan 8.280 nan 0.000 0.487 474 T N 1.731 116.378 114.554 0.154 0.000 2.769 474 T HA 0.539 4.889 4.350 0.000 0.000 0.306 474 T C -0.091 174.583 174.700 -0.042 0.000 1.400 474 T CA 0.253 62.392 62.100 0.064 0.000 1.007 474 T CB 0.737 69.602 68.868 -0.005 0.000 1.392 474 T HN 1.816 nan 8.240 nan 0.000 0.500 475 A N 1.766 124.492 122.820 -0.156 0.000 2.774 475 A HA -0.211 4.109 4.320 0.000 0.000 0.290 475 A C 0.246 177.727 177.584 -0.170 0.000 1.484 475 A CA 1.923 53.783 52.037 -0.294 0.000 0.863 475 A CB -2.594 15.887 19.000 -0.866 0.000 0.989 475 A HN 0.841 nan 8.150 nan 0.000 0.554 476 N N -1.270 117.405 118.700 -0.041 0.000 2.478 476 N HA 0.459 5.199 4.740 0.000 0.000 0.275 476 N C 0.231 175.742 175.510 0.001 0.000 1.221 476 N CA -0.994 52.051 53.050 -0.009 0.000 0.979 476 N CB 0.366 38.882 38.487 0.049 0.000 1.202 476 N HN 0.389 nan 8.380 nan 0.000 0.564 477 R N 1.156 121.665 120.500 0.016 0.000 2.480 477 R HA 0.041 4.381 4.340 0.000 0.000 0.303 477 R C -2.211 174.103 176.300 0.022 0.000 0.985 477 R CA -0.945 55.167 56.100 0.020 0.000 1.051 477 R CB -0.006 30.327 30.300 0.055 0.000 0.935 477 R HN 0.368 nan 8.270 nan 0.000 0.410 478 P HA -0.095 nan 4.420 nan 0.000 0.264 478 P C 0.222 177.513 177.300 -0.015 0.000 1.193 478 P CA 0.156 63.253 63.100 -0.007 0.000 0.763 478 P CB 0.655 32.348 31.700 -0.012 0.000 0.810 479 E N 3.207 123.387 120.200 -0.032 0.000 2.072 479 E HA -0.228 4.122 4.350 0.000 0.000 0.191 479 E C 0.917 177.484 176.600 -0.056 0.000 0.985 479 E CA 1.466 57.836 56.400 -0.050 0.000 0.801 479 E CB -0.074 29.580 29.700 -0.076 0.000 0.750 479 E HN 0.510 nan 8.360 nan 0.000 0.452 480 D N 0.476 120.848 120.400 -0.046 0.000 2.221 480 D HA -0.214 4.426 4.640 0.000 0.000 0.204 480 D C 1.599 177.880 176.300 -0.031 0.000 0.982 480 D CA 0.808 54.784 54.000 -0.039 0.000 0.857 480 D CB -0.459 40.322 40.800 -0.031 0.000 0.934 480 D HN 0.277 nan 8.370 nan 0.000 0.475 481 E N 0.013 120.199 120.200 -0.023 0.000 2.107 481 E HA -0.065 4.285 4.350 0.000 0.000 0.191 481 E C 2.339 178.933 176.600 -0.011 0.000 0.982 481 E CA 0.443 56.837 56.400 -0.009 0.000 0.809 481 E CB -0.090 29.611 29.700 0.002 0.000 0.756 481 E HN 0.347 nan 8.360 nan 0.000 0.459 482 c N 0.328 118.909 118.600 -0.032 0.000 2.413 482 c HA -0.106 4.464 4.570 0.000 0.000 0.277 482 c C 2.756 176.802 174.090 -0.073 0.000 1.228 482 c CA 0.491 56.782 56.329 -0.063 0.000 1.731 482 c CB -0.966 41.461 42.510 -0.139 0.000 2.042 482 c HN 0.229 nan 8.230 nan 0.000 0.468 483 V N 1.242 121.110 119.914 -0.077 0.000 2.515 483 V HA -0.032 4.088 4.120 0.000 0.000 0.250 483 V C 2.395 178.468 176.094 -0.035 0.000 1.058 483 V CA 2.341 64.603 62.300 -0.063 0.000 1.064 483 V CB -0.943 30.841 31.823 -0.065 0.000 0.675 483 V HN 0.623 nan 8.190 nan 0.000 0.461 484 G N -1.486 107.299 108.800 -0.025 0.000 2.448 484 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 484 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 484 G C 1.484 176.383 174.900 -0.002 0.000 1.127 484 G CA 0.799 45.892 45.100 -0.012 0.000 0.766 484 G HN 0.569 nan 8.290 nan 0.000 0.552 485 E N -0.023 120.179 120.200 0.003 0.000 2.474 485 E HA 0.214 4.564 4.350 0.000 0.000 0.194 485 E C 1.395 178.005 176.600 0.017 0.000 1.041 485 E CA 0.337 56.748 56.400 0.018 0.000 0.874 485 E CB -0.094 29.628 29.700 0.037 0.000 0.914 485 E HN 0.333 nan 8.360 nan 0.000 0.498 486 G N 1.693 110.493 108.800 0.000 0.000 2.248 486 G HA2 -0.227 3.733 3.960 0.000 0.000 0.263 486 G HA3 -0.227 3.733 3.960 0.000 0.000 0.263 486 G C 0.046 174.954 174.900 0.015 0.000 1.082 486 G CA 0.032 45.132 45.100 -0.001 0.000 0.863 486 G HN 0.263 nan 8.290 nan 0.000 0.495 487 L N 0.577 121.795 121.223 -0.008 0.000 2.701 487 L HA 0.585 4.925 4.340 0.000 0.000 0.237 487 L C 1.118 177.900 176.870 -0.145 0.000 1.204 487 L CA 0.099 54.951 54.840 0.019 0.000 1.109 487 L CB 0.166 42.242 42.059 0.027 0.000 1.409 487 L HN 0.506 nan 8.230 nan 0.000 0.428 488 A N -0.057 122.751 122.820 -0.020 0.000 2.274 488 A HA 0.477 4.797 4.320 0.000 0.000 0.297 488 A C 0.151 177.873 177.584 0.229 0.000 1.191 488 A CA -0.379 51.642 52.037 -0.025 0.000 0.889 488 A CB 0.625 19.605 19.000 -0.034 0.000 1.294 488 A HN 0.476 nan 8.150 nan 0.000 0.506 489 c N 0.437 119.142 118.600 0.174 0.000 2.689 489 c HA 0.245 4.815 4.570 0.000 0.000 0.409 489 c C 1.117 175.272 174.090 0.109 0.000 1.293 489 c CA -0.245 56.196 56.329 0.187 0.000 2.136 489 c CB -0.948 41.617 42.510 0.093 0.000 2.719 489 c HN 0.828 nan 8.230 nan 0.000 0.644 490 H N 1.512 120.586 119.070 0.008 0.000 2.836 490 H HA -0.023 4.533 4.556 0.000 0.000 0.368 490 H C 1.023 176.335 175.328 -0.026 0.000 1.164 490 H CA 0.523 56.559 56.048 -0.020 0.000 1.425 490 H CB 0.771 30.508 29.762 -0.042 0.000 1.414 490 H HN 0.679 nan 8.280 nan 0.000 0.614 491 Q N 2.400 121.927 119.800 -0.454 0.000 2.045 491 Q HA -0.149 4.191 4.340 0.000 0.000 0.206 491 Q C 2.011 177.981 176.000 -0.051 0.000 0.991 491 Q CA 0.981 56.642 55.803 -0.237 0.000 0.851 491 Q CB -0.140 28.421 28.738 -0.294 0.000 0.911 491 Q HN 0.535 nan 8.270 nan 0.000 0.418 492 L N 0.070 121.363 121.223 0.116 0.000 2.633 492 L HA -0.064 4.276 4.340 0.000 0.000 0.235 492 L C 0.393 177.296 176.870 0.055 0.000 1.163 492 L CA 0.328 55.241 54.840 0.123 0.000 0.859 492 L CB -1.012 41.172 42.059 0.208 0.000 0.973 492 L HN 0.131 nan 8.230 nan 0.000 0.451 493 c N 0.925 119.554 118.600 0.047 0.000 2.394 493 c HA 0.601 5.171 4.570 0.000 0.000 0.362 493 c C 1.169 175.237 174.090 -0.036 0.000 1.268 493 c CA -1.578 54.756 56.329 0.009 0.000 1.828 493 c CB 0.026 42.550 42.510 0.023 0.000 2.442 493 c HN 0.514 nan 8.230 nan 0.000 0.549 494 A N 4.941 127.736 122.820 -0.043 0.000 2.546 494 A HA 0.304 4.624 4.320 0.000 0.000 0.243 494 A C 1.103 178.622 177.584 -0.108 0.000 1.063 494 A CA 0.266 52.265 52.037 -0.063 0.000 0.757 494 A CB 0.104 19.077 19.000 -0.046 0.000 0.991 494 A HN 1.005 nan 8.150 nan 0.000 0.503 495 R N 1.298 121.701 120.500 -0.162 0.000 3.863 495 R HA -0.229 4.112 4.340 0.000 0.000 0.313 495 R C 0.989 176.947 176.300 -0.569 0.000 1.202 495 R CA 1.165 57.076 56.100 -0.315 0.000 0.852 495 R CB -2.527 27.606 30.300 -0.278 0.000 1.292 495 R HN 2.491 nan 8.270 nan 0.000 0.519 496 G N 0.666 109.269 108.800 -0.327 0.000 2.283 496 G HA2 -0.321 3.639 3.960 0.000 0.000 0.280 496 G HA3 -0.321 3.639 3.960 0.000 0.000 0.280 496 G C -0.172 174.582 174.900 -0.243 0.000 1.029 496 G CA 0.879 45.822 45.100 -0.261 0.000 0.840 496 G HN 0.597 nan 8.290 nan 0.000 0.505 497 H N -0.403 118.612 119.070 -0.092 0.000 2.511 497 H HA 0.647 5.203 4.556 0.000 0.000 0.328 497 H C 0.649 175.876 175.328 -0.169 0.000 1.044 497 H CA -0.215 55.735 56.048 -0.163 0.000 1.212 497 H CB 0.990 30.637 29.762 -0.191 0.000 1.428 497 H HN 0.829 nan 8.280 nan 0.000 0.483 498 c N 0.926 119.474 118.600 -0.086 0.000 3.318 498 c HA 0.394 4.964 4.570 0.000 0.000 0.322 498 c C 0.061 174.009 174.090 -0.236 0.000 1.398 498 c CA -1.027 55.237 56.329 -0.108 0.000 1.339 498 c CB 0.741 43.263 42.510 0.021 0.000 1.668 498 c HN 0.891 nan 8.230 nan 0.000 0.462 499 W N 1.308 122.566 121.300 -0.070 0.000 3.278 499 W HA 0.543 5.203 4.660 0.000 0.000 0.308 499 W C 1.181 177.650 176.519 -0.084 0.000 1.253 499 W CA 0.925 58.237 57.345 -0.055 0.000 1.759 499 W CB 0.526 29.949 29.460 -0.061 0.000 1.093 499 W HN 1.372 nan 8.180 nan 0.000 0.648 500 G N -0.452 108.188 108.800 -0.267 0.000 2.324 500 G HA2 0.172 4.132 3.960 0.000 0.000 0.293 500 G HA3 0.172 4.132 3.960 0.000 0.000 0.293 500 G C -3.158 170.838 174.900 -1.507 0.000 1.297 500 G CA -1.215 43.200 45.100 -1.141 0.000 0.853 500 G HN -0.421 nan 8.290 nan 0.000 0.535 501 P HA 0.513 nan 4.420 nan 0.000 0.274 501 P C 0.639 177.634 177.300 -0.509 0.000 1.231 501 P CA 1.379 63.955 63.100 -0.874 0.000 0.790 501 P CB 1.265 32.524 31.700 -0.735 0.000 0.951 502 G N 3.286 111.949 108.800 -0.228 0.000 2.746 502 G HA2 -0.117 3.843 3.960 0.000 0.000 0.685 502 G HA3 -0.117 3.843 3.960 0.000 0.000 0.685 502 G C -2.181 172.536 174.900 -0.305 0.000 1.350 502 G CA -0.381 44.582 45.100 -0.229 0.000 0.837 502 G HN 0.424 nan 8.290 nan 0.000 0.564 503 P HA 0.021 nan 4.420 nan 0.000 0.242 503 P C 1.343 178.506 177.300 -0.229 0.000 1.197 503 P CA 1.821 64.626 63.100 -0.491 0.000 0.765 503 P CB -0.089 31.233 31.700 -0.629 0.000 0.936 504 T N -5.482 108.962 114.554 -0.183 0.000 3.023 504 T HA 0.143 4.493 4.350 0.000 0.000 0.253 504 T C 1.372 176.026 174.700 -0.075 0.000 1.038 504 T CA 0.064 62.098 62.100 -0.109 0.000 0.962 504 T CB -0.178 68.634 68.868 -0.093 0.000 1.018 504 T HN -0.074 nan 8.240 nan 0.000 0.521 505 Q N 0.413 120.159 119.800 -0.091 0.000 2.219 505 Q HA 0.294 4.634 4.340 0.000 0.000 0.209 505 Q C 0.393 176.434 176.000 0.067 0.000 0.854 505 Q CA -0.170 55.618 55.803 -0.025 0.000 0.960 505 Q CB -0.006 28.649 28.738 -0.139 0.000 1.116 505 Q HN 0.553 nan 8.270 nan 0.000 0.500 506 c N 0.551 119.169 118.600 0.031 0.000 2.702 506 c HA 0.050 4.620 4.570 0.000 0.000 0.411 506 c C 2.452 176.613 174.090 0.118 0.000 1.286 506 c CA -0.432 55.929 56.329 0.053 0.000 1.979 506 c CB 0.212 42.732 42.510 0.017 0.000 2.728 506 c HN 0.195 nan 8.230 nan 0.000 0.652 507 V N 2.322 122.294 119.914 0.098 0.000 2.232 507 V HA -0.063 4.057 4.120 0.000 0.000 0.239 507 V C 1.075 177.213 176.094 0.073 0.000 1.040 507 V CA 1.655 64.029 62.300 0.123 0.000 0.996 507 V CB -0.323 31.507 31.823 0.012 0.000 0.638 507 V HN 0.785 nan 8.190 nan 0.000 0.453 508 N N -0.642 118.079 118.700 0.034 0.000 2.372 508 N HA 0.252 4.993 4.740 0.000 0.000 0.291 508 N C -0.802 174.695 175.510 -0.022 0.000 1.024 508 N CA -0.209 52.841 53.050 0.000 0.000 0.873 508 N CB 1.671 40.153 38.487 -0.008 0.000 1.206 508 N HN 0.420 nan 8.380 nan 0.000 0.486 509 c N 2.387 120.957 118.600 -0.050 0.000 2.637 509 c HA 0.132 4.702 4.570 0.000 0.000 0.418 509 c C 2.128 176.153 174.090 -0.108 0.000 1.319 509 c CA -0.129 56.156 56.329 -0.072 0.000 1.949 509 c CB -0.561 41.891 42.510 -0.097 0.000 2.639 509 c HN 0.823 nan 8.230 nan 0.000 0.594 510 S N 3.624 119.265 115.700 -0.098 0.000 2.486 510 S HA 0.043 4.513 4.470 0.000 0.000 0.220 510 S C 1.046 175.527 174.600 -0.198 0.000 1.011 510 S CA 0.285 58.413 58.200 -0.119 0.000 0.921 510 S CB -0.039 63.115 63.200 -0.077 0.000 0.785 510 S HN 0.905 nan 8.310 nan 0.000 0.517 511 Q N -0.052 119.614 119.800 -0.223 0.000 2.653 511 Q HA 0.505 4.845 4.340 0.000 0.000 0.212 511 Q C -0.687 174.889 176.000 -0.707 0.000 0.951 511 Q CA 0.116 55.672 55.803 -0.412 0.000 0.535 511 Q CB 0.090 28.792 28.738 -0.060 0.000 3.737 511 Q HN 0.507 nan 8.270 nan 0.000 0.401 512 F N -0.061 119.847 119.950 -0.069 0.000 2.593 512 F HA 0.530 5.057 4.527 0.000 0.000 0.320 512 F C -0.526 175.201 175.800 -0.122 0.000 1.060 512 F CA -0.822 57.117 58.000 -0.103 0.000 0.940 512 F CB 1.479 40.432 39.000 -0.078 0.000 1.268 512 F HN 0.011 nan 8.300 nan 0.000 0.475 513 L N 1.997 123.225 121.223 0.008 0.000 2.333 513 L HA 0.587 4.927 4.340 0.000 0.000 0.280 513 L C -0.522 176.353 176.870 0.008 0.000 1.004 513 L CA -0.584 54.225 54.840 -0.051 0.000 0.820 513 L CB 1.988 43.937 42.059 -0.184 0.000 1.247 513 L HN 0.546 nan 8.230 nan 0.000 0.416 514 R N 2.426 122.936 120.500 0.016 0.000 2.310 514 R HA 0.612 4.952 4.340 0.000 0.000 0.324 514 R C 0.692 177.005 176.300 0.022 0.000 0.955 514 R CA 0.521 56.632 56.100 0.018 0.000 0.830 514 R CB 1.245 31.542 30.300 -0.005 0.000 1.154 514 R HN 0.789 nan 8.270 nan 0.000 0.458 515 G N 2.918 111.746 108.800 0.046 0.000 2.634 515 G HA2 -0.356 3.604 3.960 0.000 0.000 0.318 515 G HA3 -0.356 3.604 3.960 0.000 0.000 0.318 515 G C 0.119 175.048 174.900 0.048 0.000 1.207 515 G CA 0.442 45.566 45.100 0.040 0.000 0.987 515 G HN 0.594 nan 8.290 nan 0.000 0.547 516 Q N 1.193 121.002 119.800 0.015 0.000 2.157 516 Q HA 0.310 4.651 4.340 0.000 0.000 0.229 516 Q C 0.280 176.264 176.000 -0.027 0.000 0.827 516 Q CA 0.055 55.860 55.803 0.002 0.000 1.055 516 Q CB 1.306 30.042 28.738 -0.003 0.000 1.157 516 Q HN 0.708 nan 8.270 nan 0.000 0.482 517 E N 0.925 121.106 120.200 -0.031 0.000 2.133 517 E HA 0.185 4.535 4.350 0.000 0.000 0.274 517 E C -1.050 175.519 176.600 -0.052 0.000 0.930 517 E CA -0.358 56.006 56.400 -0.060 0.000 0.770 517 E CB 1.783 31.448 29.700 -0.059 0.000 1.104 517 E HN 0.133 nan 8.360 nan 0.000 0.403 518 c N 5.772 124.329 118.600 -0.073 0.000 2.576 518 c HA 0.437 5.007 4.570 0.000 0.000 0.401 518 c C 0.229 174.305 174.090 -0.023 0.000 1.314 518 c CA -0.370 55.931 56.329 -0.047 0.000 1.855 518 c CB -1.268 41.213 42.510 -0.048 0.000 2.537 518 c HN 0.479 nan 8.230 nan 0.000 0.578 519 V N 3.839 123.772 119.914 0.031 0.000 3.126 519 V HA 0.655 4.775 4.120 0.000 0.000 0.314 519 V C 0.555 176.723 176.094 0.123 0.000 1.138 519 V CA -0.432 61.904 62.300 0.060 0.000 1.034 519 V CB 1.759 33.607 31.823 0.042 0.000 1.075 519 V HN 0.776 nan 8.190 nan 0.000 0.442 520 E N 0.662 120.927 120.200 0.107 0.000 2.051 520 E HA 0.089 4.439 4.350 0.000 0.000 0.189 520 E C 0.430 177.140 176.600 0.185 0.000 0.979 520 E CA 1.447 57.923 56.400 0.126 0.000 0.803 520 E CB 0.246 29.992 29.700 0.077 0.000 0.761 520 E HN 0.809 nan 8.360 nan 0.000 0.451 521 E N -0.892 119.358 120.200 0.083 0.000 2.366 521 E HA 0.268 4.618 4.350 0.000 0.000 0.278 521 E C -0.975 175.529 176.600 -0.159 0.000 0.923 521 E CA -0.726 55.642 56.400 -0.053 0.000 0.761 521 E CB 1.467 31.128 29.700 -0.066 0.000 1.231 521 E HN 0.095 nan 8.360 nan 0.000 0.443 522 c N 0.871 119.236 118.600 -0.392 0.000 2.604 522 c HA 0.285 4.855 4.570 0.000 0.000 0.396 522 c C 1.231 175.200 174.090 -0.201 0.000 1.282 522 c CA -0.470 55.686 56.329 -0.289 0.000 2.292 522 c CB -0.343 41.928 42.510 -0.398 0.000 2.633 522 c HN 0.485 nan 8.230 nan 0.000 0.620 523 R N 1.625 122.047 120.500 -0.131 0.000 4.576 523 R HA 0.134 4.474 4.340 0.000 0.000 0.185 523 R C 0.678 176.928 176.300 -0.084 0.000 1.837 523 R CA -0.172 55.874 56.100 -0.090 0.000 1.520 523 R CB -0.202 30.062 30.300 -0.060 0.000 1.403 523 R HN 0.635 nan 8.270 nan 0.000 0.831 524 V N 0.371 120.221 119.914 -0.107 0.000 2.599 524 V HA -0.089 4.031 4.120 0.000 0.000 0.245 524 V C 1.678 177.734 176.094 -0.064 0.000 1.046 524 V CA 1.323 63.572 62.300 -0.084 0.000 1.065 524 V CB 0.015 31.773 31.823 -0.108 0.000 0.703 524 V HN 0.573 nan 8.190 nan 0.000 0.464 525 L N -1.532 119.654 121.223 -0.063 0.000 2.575 525 L HA 0.311 4.651 4.340 0.000 0.000 0.228 525 L C 0.544 177.389 176.870 -0.041 0.000 1.075 525 L CA 0.422 55.234 54.840 -0.047 0.000 0.867 525 L CB 0.543 42.578 42.059 -0.040 0.000 1.097 525 L HN 0.322 nan 8.230 nan 0.000 0.485 526 Q N -1.124 118.650 119.800 -0.044 0.000 2.482 526 Q HA 0.590 4.930 4.340 0.000 0.000 0.286 526 Q C -0.868 175.110 176.000 -0.037 0.000 1.007 526 Q CA -0.336 55.445 55.803 -0.036 0.000 0.801 526 Q CB 3.047 31.766 28.738 -0.031 0.000 1.455 526 Q HN 0.086 nan 8.270 nan 0.000 0.398 527 G N 0.197 108.979 108.800 -0.030 0.000 2.697 527 G HA2 -0.151 3.809 3.960 0.000 0.000 0.686 527 G HA3 -0.151 3.809 3.960 0.000 0.000 0.686 527 G C -0.036 174.849 174.900 -0.025 0.000 1.179 527 G CA -0.541 44.543 45.100 -0.028 0.000 0.765 527 G HN 0.527 nan 8.290 nan 0.000 0.649 528 L N 0.897 122.108 121.223 -0.021 0.000 1.933 528 L HA 0.033 4.373 4.340 0.000 0.000 0.220 528 L C -0.418 176.443 176.870 -0.016 0.000 1.078 528 L CA 1.908 56.738 54.840 -0.017 0.000 0.773 528 L CB -1.080 40.971 42.059 -0.014 0.000 0.890 528 L HN 0.588 nan 8.230 nan 0.000 0.434 529 P HA 0.204 nan 4.420 nan 0.000 0.295 529 P C -0.815 176.477 177.300 -0.014 0.000 1.354 529 P CA -0.318 62.775 63.100 -0.012 0.000 0.814 529 P CB 0.815 32.508 31.700 -0.012 0.000 0.935 530 R N 2.263 122.757 120.500 -0.010 0.000 2.827 530 R HA 0.333 4.673 4.340 0.000 0.000 0.269 530 R C 0.359 176.666 176.300 0.012 0.000 1.048 530 R CA 0.130 56.223 56.100 -0.012 0.000 1.173 530 R CB 0.526 30.815 30.300 -0.017 0.000 1.070 530 R HN 0.559 nan 8.270 nan 0.000 0.498 531 E N -0.726 119.482 120.200 0.013 0.000 2.430 531 E HA 0.310 4.660 4.350 0.000 0.000 0.279 531 E C -1.429 175.224 176.600 0.089 0.000 1.003 531 E CA -0.674 55.743 56.400 0.027 0.000 0.801 531 E CB 2.164 31.820 29.700 -0.073 0.000 1.313 531 E HN 0.535 nan 8.360 nan 0.000 0.459 532 Y N -2.132 118.143 120.300 -0.042 0.000 2.686 532 Y HA 0.824 5.375 4.550 0.000 0.000 0.330 532 Y C -0.971 174.919 175.900 -0.016 0.000 1.082 532 Y CA -1.218 56.860 58.100 -0.037 0.000 1.158 532 Y CB 0.844 39.298 38.460 -0.010 0.000 1.333 532 Y HN 0.160 nan 8.280 nan 0.000 0.519 533 V N 2.669 122.568 119.914 -0.026 0.000 2.378 533 V HA 0.286 4.406 4.120 0.000 0.000 0.288 533 V C -0.800 175.346 176.094 0.088 0.000 1.016 533 V CA -0.788 61.481 62.300 -0.052 0.000 0.840 533 V CB 0.999 32.833 31.823 0.019 0.000 0.994 533 V HN 0.815 nan 8.190 nan 0.000 0.431 534 N N 3.901 122.615 118.700 0.023 0.000 2.417 534 N HA 0.405 5.145 4.740 0.000 0.000 0.274 534 N C 0.443 176.064 175.510 0.185 0.000 0.987 534 N CA 0.321 53.458 53.050 0.146 0.000 0.912 534 N CB 1.835 40.413 38.487 0.151 0.000 1.177 534 N HN 0.983 nan 8.380 nan 0.000 0.490 535 A N 4.146 127.071 122.820 0.176 0.000 2.311 535 A HA -0.249 4.072 4.320 0.000 0.000 0.284 535 A C 0.965 178.654 177.584 0.173 0.000 1.409 535 A CA 1.501 53.640 52.037 0.169 0.000 0.764 535 A CB -1.406 17.700 19.000 0.175 0.000 1.095 535 A HN 1.062 nan 8.150 nan 0.000 0.369 536 R N -2.209 118.395 120.500 0.172 0.000 3.977 536 R HA -0.195 4.145 4.340 0.000 0.000 0.428 536 R C 0.019 176.353 176.300 0.057 0.000 1.079 536 R CA 1.647 57.835 56.100 0.146 0.000 1.269 536 R CB -1.729 28.494 30.300 -0.127 0.000 1.856 536 R HN 0.917 nan 8.270 nan 0.000 0.551 537 H N -0.078 119.050 119.070 0.096 0.000 2.502 537 H HA 0.219 4.776 4.556 0.000 0.000 0.327 537 H C 0.227 175.519 175.328 -0.059 0.000 1.099 537 H CA -0.285 55.778 56.048 0.024 0.000 1.323 537 H CB 1.073 30.823 29.762 -0.020 0.000 1.450 537 H HN 0.086 nan 8.280 nan 0.000 0.502 538 c N 5.920 124.530 118.600 0.016 0.000 2.394 538 c HA 0.382 4.953 4.570 0.000 0.000 0.362 538 c C 0.634 174.621 174.090 -0.171 0.000 1.268 538 c CA -0.669 55.587 56.329 -0.123 0.000 1.828 538 c CB -1.428 41.025 42.510 -0.095 0.000 2.442 538 c HN 0.476 nan 8.230 nan 0.000 0.549 539 L N 5.124 126.111 121.223 -0.393 0.000 2.341 539 L HA 0.550 4.890 4.340 0.000 0.000 0.267 539 L C -2.502 174.240 176.870 -0.215 0.000 1.009 539 L CA -2.007 52.620 54.840 -0.355 0.000 0.819 539 L CB 1.821 43.545 42.059 -0.560 0.000 1.323 539 L HN 0.292 nan 8.230 nan 0.000 0.425 540 P HA 0.144 nan 4.420 nan 0.000 0.281 540 P C -0.702 176.744 177.300 0.243 0.000 1.252 540 P CA -0.626 62.523 63.100 0.083 0.000 0.778 540 P CB 0.583 32.312 31.700 0.048 0.000 0.895 541 c N 3.232 121.965 118.600 0.222 0.000 2.597 541 c HA -0.031 4.539 4.570 0.000 0.000 0.412 541 c C 1.409 175.579 174.090 0.134 0.000 1.348 541 c CA 0.305 56.739 56.329 0.176 0.000 1.769 541 c CB -1.776 40.788 42.510 0.089 0.000 2.641 541 c HN 0.649 nan 8.230 nan 0.000 0.612 542 H N 4.589 123.687 119.070 0.047 0.000 3.115 542 H HA 0.029 4.585 4.556 0.000 0.000 0.324 542 H C -1.503 173.844 175.328 0.032 0.000 1.007 542 H CA -0.303 55.768 56.048 0.038 0.000 1.385 542 H CB 0.635 30.418 29.762 0.035 0.000 1.351 542 H HN 0.444 nan 8.280 nan 0.000 0.592 543 P HA -0.138 nan 4.420 nan 0.000 0.226 543 P C 0.441 177.836 177.300 0.159 0.000 1.146 543 P CA 1.078 64.165 63.100 -0.022 0.000 0.773 543 P CB 0.320 31.950 31.700 -0.118 0.000 0.772 544 E N -1.723 118.743 120.200 0.445 0.000 2.474 544 E HA 0.048 4.398 4.350 0.000 0.000 0.195 544 E C 0.130 176.825 176.600 0.158 0.000 1.039 544 E CA 0.028 56.625 56.400 0.327 0.000 0.881 544 E CB -0.411 29.500 29.700 0.352 0.000 0.970 544 E HN 0.216 nan 8.360 nan 0.000 0.486 545 c N 2.271 120.947 118.600 0.126 0.000 2.629 545 c HA 0.094 4.664 4.570 0.000 0.000 0.410 545 c C 1.047 175.127 174.090 -0.017 0.000 1.339 545 c CA -0.551 55.791 56.329 0.022 0.000 1.810 545 c CB -0.727 41.783 42.510 -0.001 0.000 2.549 545 c HN 0.317 nan 8.230 nan 0.000 0.589 546 Q N 5.579 125.345 119.800 -0.057 0.000 2.262 546 Q HA 0.124 4.464 4.340 0.000 0.000 0.272 546 Q C -1.984 173.975 176.000 -0.068 0.000 1.076 546 Q CA -1.003 54.751 55.803 -0.082 0.000 0.905 546 Q CB 0.649 29.328 28.738 -0.098 0.000 1.182 546 Q HN 0.484 nan 8.270 nan 0.000 0.390 547 P HA -0.087 nan 4.420 nan 0.000 0.264 547 P C -0.948 176.319 177.300 -0.056 0.000 1.193 547 P CA 0.422 63.491 63.100 -0.052 0.000 0.763 547 P CB 0.687 32.362 31.700 -0.041 0.000 0.810 548 Q N 2.141 121.906 119.800 -0.058 0.000 2.215 548 Q HA 0.351 4.691 4.340 0.000 0.000 0.256 548 Q C -0.168 175.807 176.000 -0.041 0.000 0.972 548 Q CA -0.554 55.218 55.803 -0.052 0.000 0.889 548 Q CB 1.009 29.712 28.738 -0.058 0.000 1.281 548 Q HN 0.341 nan 8.270 nan 0.000 0.456 549 N N -0.074 118.606 118.700 -0.034 0.000 2.444 549 N HA 0.357 5.097 4.740 0.000 0.000 0.262 549 N C 0.528 176.024 175.510 -0.022 0.000 0.974 549 N CA 0.529 53.563 53.050 -0.027 0.000 0.933 549 N CB 1.326 39.798 38.487 -0.024 0.000 1.137 549 N HN 0.825 nan 8.380 nan 0.000 0.498 550 G N 0.679 109.467 108.800 -0.020 0.000 2.162 550 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 550 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 550 G C 0.211 175.104 174.900 -0.013 0.000 0.976 550 G CA 0.833 45.924 45.100 -0.015 0.000 0.655 550 G HN 0.822 nan 8.290 nan 0.000 0.533 551 S N -1.910 113.778 115.700 -0.019 0.000 2.661 551 S HA 0.750 5.220 4.470 0.000 0.000 0.285 551 S C 0.208 174.787 174.600 -0.036 0.000 1.138 551 S CA 0.109 58.299 58.200 -0.017 0.000 0.855 551 S CB 2.073 65.266 63.200 -0.011 0.000 1.136 551 S HN 1.079 nan 8.310 nan 0.000 0.484 552 V N 2.198 122.088 119.914 -0.039 0.000 3.096 552 V HA 0.186 4.306 4.120 0.000 0.000 0.306 552 V C 1.449 177.460 176.094 -0.138 0.000 1.088 552 V CA 0.783 63.037 62.300 -0.076 0.000 1.129 552 V CB 1.338 33.128 31.823 -0.056 0.000 1.014 552 V HN 1.148 nan 8.190 nan 0.000 0.486 553 T N 1.899 116.362 114.554 -0.152 0.000 3.033 553 T HA 0.117 4.467 4.350 0.000 0.000 0.248 553 T C 0.186 174.708 174.700 -0.298 0.000 1.040 553 T CA 0.904 62.901 62.100 -0.173 0.000 1.133 553 T CB 0.094 68.905 68.868 -0.095 0.000 0.895 553 T HN 0.939 nan 8.240 nan 0.000 0.465 554 c N -0.731 117.658 118.600 -0.351 0.000 3.323 554 c HA 0.750 5.320 4.570 0.000 0.000 0.324 554 c C -0.004 173.711 174.090 -0.626 0.000 1.428 554 c CA -1.228 54.762 56.329 -0.566 0.000 1.368 554 c CB -0.107 42.235 42.510 -0.281 0.000 1.731 554 c HN 0.247 nan 8.230 nan 0.000 0.455 555 F N 0.990 120.859 119.950 -0.135 0.000 2.706 555 F HA 0.619 5.146 4.527 0.000 0.000 0.308 555 F C 1.335 176.931 175.800 -0.341 0.000 1.095 555 F CA 0.532 58.445 58.000 -0.146 0.000 1.244 555 F CB 0.298 39.242 39.000 -0.093 0.000 1.063 555 F HN 1.217 nan 8.300 nan 0.000 0.582 556 G N 0.022 108.508 108.800 -0.524 0.000 2.428 556 G HA2 0.267 4.227 3.960 0.000 0.000 0.305 556 G HA3 0.267 4.227 3.960 0.000 0.000 0.305 556 G C -2.410 171.938 174.900 -0.920 0.000 1.260 556 G CA -0.440 44.013 45.100 -1.079 0.000 0.853 556 G HN -0.316 nan 8.290 nan 0.000 0.480 557 P HA 0.092 nan 4.420 nan 0.000 0.221 557 P C 0.362 177.707 177.300 0.075 0.000 1.155 557 P CA 0.718 63.808 63.100 -0.017 0.000 0.812 557 P CB 0.439 32.231 31.700 0.153 0.000 0.801 558 E N -0.253 119.978 120.200 0.051 0.000 2.390 558 E HA 0.310 4.660 4.350 0.000 0.000 0.261 558 E C 1.082 177.710 176.600 0.047 0.000 1.076 558 E CA -0.294 56.172 56.400 0.110 0.000 0.905 558 E CB 0.442 30.225 29.700 0.138 0.000 0.984 558 E HN -0.038 nan 8.360 nan 0.000 0.427 559 A N 2.372 125.124 122.820 -0.114 0.000 2.248 559 A HA -0.133 4.188 4.320 0.000 0.000 0.210 559 A C 0.948 178.556 177.584 0.040 0.000 1.174 559 A CA 1.176 52.993 52.037 -0.366 0.000 0.750 559 A CB -0.357 18.074 19.000 -0.948 0.000 0.780 559 A HN 0.606 nan 8.150 nan 0.000 0.478 560 D N -1.796 118.685 120.400 0.136 0.000 2.424 560 D HA 0.075 4.715 4.640 0.000 0.000 0.220 560 D C 0.793 177.095 176.300 0.004 0.000 1.150 560 D CA 0.090 54.060 54.000 -0.050 0.000 0.831 560 D CB -0.193 40.407 40.800 -0.334 0.000 0.981 560 D HN 0.432 nan 8.370 nan 0.000 0.500 561 Q N -0.241 119.585 119.800 0.044 0.000 2.155 561 Q HA 0.256 4.596 4.340 0.000 0.000 0.220 561 Q C -0.418 175.607 176.000 0.040 0.000 0.819 561 Q CA -0.280 55.598 55.803 0.124 0.000 1.032 561 Q CB 0.814 29.585 28.738 0.054 0.000 1.151 561 Q HN 0.239 nan 8.270 nan 0.000 0.487 562 c N -0.306 118.286 118.600 -0.012 0.000 2.520 562 c HA 0.131 4.701 4.570 0.000 0.000 0.376 562 c C 2.145 176.184 174.090 -0.085 0.000 1.268 562 c CA -0.638 55.629 56.329 -0.104 0.000 2.414 562 c CB 0.828 43.308 42.510 -0.049 0.000 2.521 562 c HN 0.436 nan 8.230 nan 0.000 0.618 563 V N 0.924 120.725 119.914 -0.188 0.000 2.719 563 V HA 0.346 4.466 4.120 0.000 0.000 0.252 563 V C 0.668 176.754 176.094 -0.014 0.000 1.065 563 V CA 1.763 64.028 62.300 -0.058 0.000 1.086 563 V CB -0.511 31.257 31.823 -0.091 0.000 0.700 563 V HN 1.150 nan 8.190 nan 0.000 0.467 564 A N -1.561 121.233 122.820 -0.043 0.000 2.589 564 A HA 0.625 4.945 4.320 0.000 0.000 0.296 564 A C -0.728 176.828 177.584 -0.046 0.000 1.062 564 A CA -0.137 51.879 52.037 -0.036 0.000 0.686 564 A CB 0.937 19.911 19.000 -0.043 0.000 1.282 564 A HN 0.320 nan 8.150 nan 0.000 0.404 565 c N 1.509 120.083 118.600 -0.042 0.000 2.527 565 c HA 0.520 5.090 4.570 0.000 0.000 0.396 565 c C 2.068 176.092 174.090 -0.109 0.000 1.289 565 c CA 0.452 56.757 56.329 -0.040 0.000 2.047 565 c CB 0.456 42.962 42.510 -0.007 0.000 2.568 565 c HN 1.116 nan 8.230 nan 0.000 0.573 566 A N 1.917 124.657 122.820 -0.133 0.000 1.969 566 A HA -0.066 4.254 4.320 0.000 0.000 0.218 566 A C 1.610 178.808 177.584 -0.643 0.000 1.169 566 A CA 1.563 53.387 52.037 -0.355 0.000 0.635 566 A CB -0.251 18.567 19.000 -0.303 0.000 0.810 566 A HN 1.003 nan 8.150 nan 0.000 0.445 567 H N -3.919 115.076 119.070 -0.124 0.000 4.819 567 H HA 0.325 4.882 4.556 0.000 0.000 0.100 567 H C -0.380 174.643 175.328 -0.508 0.000 1.259 567 H CA 0.121 55.987 56.048 -0.303 0.000 0.709 567 H CB 0.112 29.790 29.762 -0.140 0.000 1.480 567 H HN 0.381 nan 8.280 nan 0.000 0.183 568 Y N 0.407 120.813 120.300 0.177 0.000 2.650 568 Y HA 0.461 5.011 4.550 0.000 0.000 0.331 568 Y C 0.099 176.038 175.900 0.064 0.000 1.082 568 Y CA -0.869 57.283 58.100 0.087 0.000 1.171 568 Y CB 1.903 40.404 38.460 0.068 0.000 1.326 568 Y HN -0.074 nan 8.280 nan 0.000 0.513 569 K N 1.342 121.873 120.400 0.220 0.000 2.545 569 K HA 0.204 4.525 4.320 0.000 0.000 0.252 569 K C -1.922 174.736 176.600 0.097 0.000 0.948 569 K CA -0.580 55.781 56.287 0.123 0.000 0.827 569 K CB 1.103 33.640 32.500 0.063 0.000 1.128 569 K HN 0.625 nan 8.250 nan 0.000 0.429 570 D N 6.245 126.708 120.400 0.106 0.000 2.485 570 D HA 0.268 4.908 4.640 0.000 0.000 0.221 570 D C -2.418 173.928 176.300 0.076 0.000 1.112 570 D CA -2.138 51.909 54.000 0.079 0.000 0.911 570 D CB 1.113 41.964 40.800 0.086 0.000 1.019 570 D HN 0.213 nan 8.370 nan 0.000 0.516 571 P HA 0.076 nan 4.420 nan 0.000 0.265 571 P C -1.822 175.390 177.300 -0.148 0.000 1.193 571 P CA -0.859 62.192 63.100 -0.080 0.000 0.765 571 P CB 0.242 31.902 31.700 -0.068 0.000 0.823 572 P HA 0.108 nan 4.420 nan 0.000 0.257 572 P C -0.528 176.459 177.300 -0.521 0.000 1.281 572 P CA 0.245 63.056 63.100 -0.481 0.000 0.826 572 P CB 0.242 31.572 31.700 -0.617 0.000 1.237 573 F N 0.257 120.181 119.950 -0.043 0.000 2.404 573 F HA 0.250 4.777 4.527 0.000 0.000 0.339 573 F C 1.159 176.927 175.800 -0.052 0.000 1.105 573 F CA -1.048 56.909 58.000 -0.070 0.000 1.087 573 F CB 0.574 39.525 39.000 -0.081 0.000 1.143 573 F HN -0.170 nan 8.300 nan 0.000 0.491 574 c N 3.595 122.265 118.600 0.118 0.000 2.632 574 c HA 0.540 5.110 4.570 0.000 0.000 0.415 574 c C 0.299 174.451 174.090 0.104 0.000 1.332 574 c CA -0.828 55.552 56.329 0.085 0.000 1.874 574 c CB -0.879 41.651 42.510 0.033 0.000 2.596 574 c HN 0.639 nan 8.230 nan 0.000 0.590 575 V N 1.232 121.241 119.914 0.158 0.000 3.007 575 V HA 0.835 4.955 4.120 0.000 0.000 0.311 575 V C 0.411 176.627 176.094 0.204 0.000 1.120 575 V CA -0.207 62.188 62.300 0.158 0.000 0.980 575 V CB 1.051 32.944 31.823 0.116 0.000 1.033 575 V HN 0.905 nan 8.190 nan 0.000 0.429 576 A N 3.103 126.008 122.820 0.142 0.000 1.842 576 A HA 0.045 4.365 4.320 0.000 0.000 0.217 576 A C 1.302 178.959 177.584 0.121 0.000 1.206 576 A CA 1.433 53.493 52.037 0.039 0.000 0.630 576 A CB -0.370 18.610 19.000 -0.035 0.000 0.839 576 A HN 0.890 nan 8.150 nan 0.000 0.447 577 R N -2.106 118.442 120.500 0.081 0.000 2.732 577 R HA 0.460 4.801 4.340 0.000 0.000 0.278 577 R C -1.054 175.245 176.300 -0.003 0.000 0.976 577 R CA -0.922 55.206 56.100 0.047 0.000 0.963 577 R CB 1.120 31.421 30.300 0.001 0.000 1.150 577 R HN 0.383 nan 8.270 nan 0.000 0.478 578 C N 3.040 122.267 119.300 -0.121 0.000 2.642 578 C HA 0.114 4.574 4.460 0.000 0.000 0.420 578 C C -1.801 173.160 174.990 -0.048 0.000 1.349 578 C CA -0.749 58.207 59.018 -0.104 0.000 1.821 578 C CB -0.625 27.017 27.740 -0.164 0.000 2.637 578 C HN 0.490 nan 8.230 nan 0.000 0.605 579 P HA 0.218 nan 4.420 nan 0.000 0.267 579 P C -0.406 176.844 177.300 -0.084 0.000 1.205 579 P CA 0.521 63.573 63.100 -0.080 0.000 0.765 579 P CB 0.554 32.197 31.700 -0.095 0.000 0.828 592 W N 5.254 126.570 121.300 0.027 0.000 2.619 592 W HA 0.779 5.439 4.660 0.000 0.000 0.327 592 W C -0.154 176.401 176.519 0.061 0.000 1.027 592 W CA -0.562 56.805 57.345 0.036 0.000 1.233 592 W CB 2.084 31.566 29.460 0.037 0.000 1.370 592 W HN 0.130 nan 8.180 nan 0.000 0.453 593 K N 2.521 123.064 120.400 0.240 0.000 2.395 593 K HA 0.762 5.082 4.320 0.000 0.000 0.247 593 K C -1.172 175.546 176.600 0.197 0.000 0.973 593 K CA -1.121 55.265 56.287 0.165 0.000 0.828 593 K CB 2.455 34.969 32.500 0.024 0.000 1.272 593 K HN 0.354 nan 8.250 nan 0.000 0.439 594 F N -1.084 118.870 119.950 0.006 0.000 2.588 594 F HA 0.600 5.127 4.527 0.000 0.000 0.310 594 F C -2.879 172.877 175.800 -0.072 0.000 1.082 594 F CA -3.113 54.864 58.000 -0.038 0.000 0.929 594 F CB 1.274 40.268 39.000 -0.010 0.000 1.254 594 F HN 0.222 nan 8.300 nan 0.000 0.455 595 P HA 0.047 nan 4.420 nan 0.000 0.262 595 P C -0.490 176.770 177.300 -0.066 0.000 1.199 595 P CA 0.384 63.386 63.100 -0.162 0.000 0.763 595 P CB 0.407 32.023 31.700 -0.140 0.000 0.790 596 D N 1.913 122.216 120.400 -0.161 0.000 2.319 596 D HA -0.095 4.545 4.640 0.000 0.000 0.235 596 D C 1.381 177.734 176.300 0.088 0.000 1.304 596 D CA 0.213 54.186 54.000 -0.046 0.000 0.894 596 D CB 0.539 41.313 40.800 -0.042 0.000 1.183 596 D HN 0.360 nan 8.370 nan 0.000 0.472 597 E N -0.046 120.210 120.200 0.094 0.000 2.208 597 E HA -0.137 4.213 4.350 0.000 0.000 0.193 597 E C 0.992 177.640 176.600 0.081 0.000 0.988 597 E CA 0.667 57.124 56.400 0.096 0.000 0.828 597 E CB 0.174 29.922 29.700 0.079 0.000 0.763 597 E HN 0.484 nan 8.360 nan 0.000 0.478 598 E N -1.055 119.182 120.200 0.062 0.000 2.502 598 E HA 0.032 4.382 4.350 0.000 0.000 0.194 598 E C 0.848 177.489 176.600 0.068 0.000 1.062 598 E CA 0.337 56.766 56.400 0.048 0.000 0.867 598 E CB 0.434 30.151 29.700 0.028 0.000 0.888 598 E HN 0.369 nan 8.360 nan 0.000 0.510 599 G N 0.877 109.757 108.800 0.132 0.000 2.157 599 G HA2 -0.273 3.687 3.960 0.000 0.000 0.239 599 G HA3 -0.273 3.687 3.960 0.000 0.000 0.239 599 G C 0.161 175.209 174.900 0.246 0.000 0.982 599 G CA 0.019 45.272 45.100 0.255 0.000 0.650 599 G HN 0.412 nan 8.290 nan 0.000 0.527 600 A N -0.346 122.531 122.820 0.094 0.000 2.292 600 A HA 0.636 4.956 4.320 0.000 0.000 0.319 600 A C 0.790 178.328 177.584 -0.077 0.000 1.206 600 A CA 0.129 52.184 52.037 0.030 0.000 0.835 600 A CB 0.684 19.683 19.000 -0.003 0.000 1.164 600 A HN 1.114 nan 8.150 nan 0.000 0.505 601 C N 3.410 122.659 119.300 -0.084 0.000 2.657 601 C HA 0.363 4.823 4.460 0.000 0.000 0.404 601 C C 0.384 175.227 174.990 -0.246 0.000 1.369 601 C CA -0.761 58.144 59.018 -0.189 0.000 1.665 601 C CB -1.215 26.462 27.740 -0.105 0.000 2.453 601 C HN 0.775 nan 8.230 nan 0.000 0.599 602 Q N 3.521 123.022 119.800 -0.498 0.000 2.214 602 Q HA 0.475 4.815 4.340 0.000 0.000 0.251 602 Q C -2.448 173.379 176.000 -0.288 0.000 0.936 602 Q CA -2.655 52.880 55.803 -0.447 0.000 0.894 602 Q CB 0.470 28.806 28.738 -0.670 0.000 1.252 602 Q HN 0.422 nan 8.270 nan 0.000 0.448 603 P HA 0.182 nan 4.420 nan 0.000 0.278 603 P C -0.521 176.949 177.300 0.284 0.000 1.238 603 P CA -0.409 62.758 63.100 0.111 0.000 0.794 603 P CB 0.649 32.401 31.700 0.088 0.000 0.955 604 C N 5.026 124.524 119.300 0.330 0.000 2.637 604 C HA 0.139 4.599 4.460 0.000 0.000 0.418 604 C C -0.631 174.464 174.990 0.175 0.000 1.319 604 C CA -0.266 58.931 59.018 0.299 0.000 1.949 604 C CB -0.354 27.509 27.740 0.205 0.000 2.639 604 C HN 0.603 nan 8.230 nan 0.000 0.594 605 P HA 0.105 nan 4.420 nan 0.000 0.229 605 P C -0.008 177.309 177.300 0.028 0.000 1.160 605 P CA 0.988 64.129 63.100 0.069 0.000 0.777 605 P CB 0.147 31.874 31.700 0.044 0.000 0.814 606 I N -0.218 120.350 120.570 -0.003 0.000 2.437 606 I HA 0.160 4.330 4.170 0.000 0.000 0.298 606 I C 0.911 177.000 176.117 -0.045 0.000 0.984 606 I CA -0.987 60.291 61.300 -0.036 0.000 1.214 606 I CB 0.964 38.919 38.000 -0.075 0.000 1.365 606 I HN -0.159 nan 8.210 nan 0.000 0.469 607 N N 0.000 118.678 118.700 -0.036 0.000 1.763 607 N HA 0.000 4.740 4.740 0.000 0.000 0.220 607 N CA 0.000 53.050 53.050 0.001 0.000 0.885 607 N CB 0.000 38.493 38.487 0.010 0.000 1.341 607 N HN 0.000 nan 8.380 nan 0.000 0.667