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 1tzn_1_O DATA FIRST_RESID 174 DATA SEQUENCE TVPDRDNDGI PDSLEVEGYT VDVKNKRTFL SPWISNIHEK KGLTKYKSSP DATA SEQUENCE EKWSTASDPY SDFEKVTGRI DKNVSPEARH PLVAAYPIVH VDMENIILSK DATA SEQUENCE NEXXXXXXXD SQTRTISKNT STSRTHTSEV HGNAEVHASF FDIGGSVSAG DATA SEQUENCE FSNSNSSTVA IDHSLSLAGE RTWAETMGLN TADTARLNAN IRYVNTGTAP DATA SEQUENCE IYNVLPTTSL VLGKNQTLAT IKAKENQLSQ ILAPNNYYPS KNLAPIALNA DATA SEQUENCE QXXXSSTPIT MNYNQFLELE KTKQLRLDTD QVYGNIATYN FENGRVRVDT DATA SEQUENCE GSNWSEVLPQ IQETTARIIF NGKDLNLVER RIAAVNPSDP LETTKPDMTL DATA SEQUENCE KEALKIAFGF NEPNGNLQYQ GKDITEFDFN FDQQTSQNIK NQLAELNATN DATA SEQUENCE IYTVLDKIKL NAKMNILIRD KRFHYDRNNI AVGADESVVK EAHREVINSS DATA SEQUENCE TEGLLLNIDK DIRKILSGYI VEIEDTEGLK EVINDRYDML NISSLRQDGK DATA SEQUENCE TFIDFKKYND KLPLYISNPN YKVNVYAVTK ENTIINPSEN GDTSTNGIKK DATA SEQUENCE ILIFSKKGYE IG 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 174 T HA 0.000 nan 4.350 nan 0.000 0.228 174 T C 0.000 174.697 174.700 -0.004 0.000 1.109 174 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 174 T CB 0.000 68.869 68.868 0.001 0.000 0.612 175 V N 3.314 123.223 119.914 -0.009 0.000 2.617 175 V HA 0.259 4.378 4.120 -0.001 0.000 0.304 175 V C -1.802 174.282 176.094 -0.015 0.000 1.040 175 V CA -0.802 61.490 62.300 -0.014 0.000 1.149 175 V CB -0.119 31.690 31.823 -0.023 0.000 0.914 175 V HN 0.339 nan 8.190 nan 0.000 0.487 176 P HA 0.247 nan 4.420 nan 0.000 0.262 176 P C -0.719 176.572 177.300 -0.016 0.000 1.199 176 P CA 0.321 63.416 63.100 -0.008 0.000 0.763 176 P CB 0.212 31.911 31.700 -0.001 0.000 0.790 177 D N 1.706 122.098 120.400 -0.013 0.000 2.362 177 D HA 0.102 4.742 4.640 -0.001 0.000 0.232 177 D C 0.746 177.046 176.300 0.000 0.000 1.329 177 D CA -0.437 53.552 54.000 -0.019 0.000 0.944 177 D CB 0.667 41.440 40.800 -0.045 0.000 1.471 177 D HN 0.011 nan 8.370 nan 0.000 0.533 178 R N 1.381 121.887 120.500 0.010 0.000 2.062 178 R HA -0.036 4.304 4.340 -0.001 0.000 0.231 178 R C 1.348 177.673 176.300 0.041 0.000 1.136 178 R CA 1.872 57.985 56.100 0.022 0.000 0.948 178 R CB -0.332 29.981 30.300 0.022 0.000 0.845 178 R HN 0.457 nan 8.270 nan 0.000 0.430 179 D N 0.142 120.569 120.400 0.045 0.000 2.203 179 D HA -0.285 4.355 4.640 -0.001 0.000 0.199 179 D C 0.642 177.021 176.300 0.131 0.000 0.997 179 D CA 1.556 55.606 54.000 0.084 0.000 0.863 179 D CB -0.418 40.410 40.800 0.046 0.000 0.928 179 D HN 0.315 nan 8.370 nan 0.000 0.458 180 N N -0.606 118.136 118.700 0.071 0.000 2.850 180 N HA -0.236 4.503 4.740 -0.001 0.000 0.249 180 N C -0.011 175.559 175.510 0.101 0.000 1.060 180 N CA 1.369 54.469 53.050 0.084 0.000 0.825 180 N CB -1.651 36.907 38.487 0.119 0.000 1.132 180 N HN 0.599 nan 8.380 nan 0.000 0.564 181 D N -1.869 118.531 120.400 0.000 0.000 2.234 181 D HA 0.198 4.837 4.640 -0.001 0.000 0.205 181 D C 1.647 177.833 176.300 -0.189 0.000 0.962 181 D CA 1.332 55.241 54.000 -0.152 0.000 0.855 181 D CB -0.445 40.149 40.800 -0.343 0.000 0.951 181 D HN 0.648 nan 8.370 nan 0.000 0.500 182 G N -0.415 108.225 108.800 -0.266 0.000 2.183 182 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.168 182 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.168 182 G C -0.106 174.445 174.900 -0.581 0.000 1.008 182 G CA -0.127 44.666 45.100 -0.511 0.000 0.677 182 G HN 0.323 nan 8.290 nan 0.000 0.498 183 I N 1.754 122.092 120.570 -0.386 0.000 2.464 183 I HA 0.264 4.433 4.170 -0.001 0.000 0.277 183 I C -2.380 173.603 176.117 -0.223 0.000 1.040 183 I CA -2.251 58.823 61.300 -0.376 0.000 1.153 183 I CB 2.033 39.752 38.000 -0.468 0.000 1.274 183 I HN -0.194 nan 8.210 nan 0.000 0.469 184 P HA -0.097 nan 4.420 nan 0.000 0.255 184 P C 0.386 177.658 177.300 -0.047 0.000 1.151 184 P CA 0.450 63.497 63.100 -0.088 0.000 0.767 184 P CB 0.359 32.019 31.700 -0.067 0.000 0.736 185 D N 2.687 123.072 120.400 -0.025 0.000 2.984 185 D HA -0.309 4.330 4.640 -0.001 0.000 0.266 185 D C 1.962 178.282 176.300 0.032 0.000 1.083 185 D CA 2.601 56.605 54.000 0.006 0.000 0.985 185 D CB -1.190 39.616 40.800 0.010 0.000 1.137 185 D HN 0.502 nan 8.370 nan 0.000 0.495 186 S N 1.372 117.092 115.700 0.034 0.000 2.422 186 S HA -0.287 4.183 4.470 -0.001 0.000 0.248 186 S C 2.395 177.051 174.600 0.092 0.000 1.069 186 S CA 2.082 60.315 58.200 0.055 0.000 1.214 186 S CB -1.212 62.016 63.200 0.047 0.000 1.122 186 S HN 0.402 nan 8.310 nan 0.000 0.432 187 L N 1.617 122.895 121.223 0.091 0.000 2.030 187 L HA -0.257 4.082 4.340 -0.001 0.000 0.222 187 L C 3.101 180.188 176.870 0.363 0.000 1.082 187 L CA 2.413 57.355 54.840 0.170 0.000 0.785 187 L CB -0.709 41.373 42.059 0.038 0.000 0.895 187 L HN 0.541 nan 8.230 nan 0.000 0.439 188 E N -0.673 119.679 120.200 0.254 0.000 2.338 188 E HA -0.138 4.212 4.350 -0.001 0.000 0.197 188 E C 1.878 178.606 176.600 0.214 0.000 1.007 188 E CA 0.770 57.403 56.400 0.389 0.000 0.849 188 E CB 0.304 30.109 29.700 0.175 0.000 0.774 188 E HN 0.362 nan 8.360 nan 0.000 0.506 189 V N 0.224 120.218 119.914 0.133 0.000 2.581 189 V HA -0.033 4.086 4.120 -0.001 0.000 0.240 189 V C 1.510 177.639 176.094 0.058 0.000 1.054 189 V CA 1.020 63.364 62.300 0.074 0.000 1.076 189 V CB -0.081 31.776 31.823 0.056 0.000 0.748 189 V HN 0.128 nan 8.190 nan 0.000 0.474 190 E N 0.759 121.008 120.200 0.081 0.000 2.502 190 E HA 0.378 4.727 4.350 -0.001 0.000 0.194 190 E C 0.850 177.497 176.600 0.079 0.000 1.062 190 E CA 0.541 56.988 56.400 0.078 0.000 0.867 190 E CB 0.192 29.948 29.700 0.094 0.000 0.888 190 E HN 0.615 nan 8.360 nan 0.000 0.510 191 G N 1.097 109.923 108.800 0.043 0.000 2.784 191 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.686 191 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.686 191 G C -0.924 174.014 174.900 0.063 0.000 1.156 191 G CA -0.487 44.560 45.100 -0.088 0.000 0.757 191 G HN 0.183 nan 8.290 nan 0.000 0.642 192 Y N -2.061 118.201 120.300 -0.064 0.000 2.871 192 Y HA 0.905 5.455 4.550 -0.001 0.000 0.331 192 Y C -0.072 175.794 175.900 -0.057 0.000 1.378 192 Y CA -0.326 57.784 58.100 0.017 0.000 1.079 192 Y CB 0.961 39.450 38.460 0.048 0.000 1.441 192 Y HN 1.824 nan 8.280 nan 0.000 0.446 193 T N -0.527 114.279 114.554 0.420 0.000 2.648 193 T HA 0.618 4.968 4.350 -0.001 0.000 0.300 193 T C -2.503 172.375 174.700 0.298 0.000 1.751 193 T CA -0.250 62.032 62.100 0.302 0.000 0.959 193 T CB 0.817 69.633 68.868 -0.087 0.000 1.888 193 T HN 1.137 nan 8.240 nan 0.000 0.480 194 V N 1.902 121.967 119.914 0.252 0.000 2.971 194 V HA 0.768 4.887 4.120 -0.001 0.000 0.309 194 V C -0.767 175.436 176.094 0.181 0.000 1.130 194 V CA -0.633 61.796 62.300 0.215 0.000 0.964 194 V CB 2.057 34.002 31.823 0.204 0.000 1.029 194 V HN 1.086 nan 8.190 nan 0.000 0.427 195 D N 1.161 121.681 120.400 0.200 0.000 2.732 195 D HA 0.744 5.383 4.640 -0.001 0.000 0.292 195 D C -1.327 175.077 176.300 0.174 0.000 1.135 195 D CA -0.262 53.849 54.000 0.185 0.000 1.071 195 D CB 2.532 43.465 40.800 0.222 0.000 1.457 195 D HN 0.574 nan 8.370 nan 0.000 0.547 196 V N 0.168 120.172 119.914 0.150 0.000 2.419 196 V HA 0.487 4.607 4.120 -0.001 0.000 0.287 196 V C 0.788 176.973 176.094 0.150 0.000 1.017 196 V CA -0.815 61.552 62.300 0.111 0.000 0.844 196 V CB 0.955 32.810 31.823 0.053 0.000 1.011 196 V HN 0.663 nan 8.190 nan 0.000 0.429 197 K N 4.006 124.556 120.400 0.249 0.000 1.986 197 K HA -0.057 4.263 4.320 -0.001 0.000 0.216 197 K C 1.583 178.273 176.600 0.150 0.000 1.012 197 K CA 1.559 58.001 56.287 0.259 0.000 1.025 197 K CB -0.095 32.689 32.500 0.474 0.000 0.975 197 K HN 0.781 nan 8.250 nan 0.000 0.453 198 N N 0.493 119.280 118.700 0.145 0.000 2.009 198 N HA -0.125 4.615 4.740 -0.001 0.000 0.195 198 N C 0.795 176.336 175.510 0.052 0.000 1.076 198 N CA 1.459 54.560 53.050 0.085 0.000 0.863 198 N CB -0.073 38.460 38.487 0.077 0.000 1.062 198 N HN 0.258 nan 8.380 nan 0.000 0.425 199 K N 0.133 120.545 120.400 0.021 0.000 2.625 199 K HA 0.256 4.575 4.320 -0.001 0.000 0.190 199 K C -0.521 176.052 176.600 -0.045 0.000 1.174 199 K CA -0.087 56.200 56.287 0.000 0.000 1.103 199 K CB 1.024 33.527 32.500 0.005 0.000 0.900 199 K HN 0.078 nan 8.250 nan 0.000 0.540 200 R N 0.657 121.093 120.500 -0.107 0.000 2.720 200 R HA 0.407 4.746 4.340 -0.001 0.000 0.272 200 R C 0.082 176.194 176.300 -0.313 0.000 0.991 200 R CA -0.472 55.477 56.100 -0.252 0.000 1.010 200 R CB 0.517 30.560 30.300 -0.429 0.000 1.141 200 R HN 0.010 nan 8.270 nan 0.000 0.494 201 T N -1.146 113.223 114.554 -0.308 0.000 2.743 201 T HA 0.569 4.918 4.350 -0.001 0.000 0.292 201 T C -0.624 173.932 174.700 -0.239 0.000 0.972 201 T CA -0.493 61.503 62.100 -0.174 0.000 0.967 201 T CB 0.050 68.887 68.868 -0.052 0.000 0.926 201 T HN 0.179 nan 8.240 nan 0.000 0.459 202 F N 3.209 123.215 119.950 0.093 0.000 2.411 202 F HA 0.488 5.014 4.527 -0.001 0.000 0.352 202 F C -0.071 175.792 175.800 0.105 0.000 1.123 202 F CA -1.820 56.236 58.000 0.092 0.000 1.044 202 F CB 1.713 40.767 39.000 0.090 0.000 1.135 202 F HN 0.485 nan 8.300 nan 0.000 0.461 203 L N 4.150 125.547 121.223 0.291 0.000 2.268 203 L HA 0.496 4.836 4.340 -0.001 0.000 0.289 203 L C -0.112 176.860 176.870 0.170 0.000 1.064 203 L CA 0.335 55.285 54.840 0.184 0.000 0.824 203 L CB 0.168 42.266 42.059 0.065 0.000 1.202 203 L HN 0.514 nan 8.230 nan 0.000 0.433 204 S N 6.675 122.498 115.700 0.205 0.000 2.600 204 S HA 0.802 5.271 4.470 -0.001 0.000 0.300 204 S C -2.746 172.007 174.600 0.254 0.000 1.087 204 S CA -1.507 56.818 58.200 0.207 0.000 0.965 204 S CB 1.657 65.007 63.200 0.249 0.000 1.089 204 S HN 0.563 nan 8.310 nan 0.000 0.496 205 P HA 0.060 nan 4.420 nan 0.000 0.273 205 P C -0.375 177.180 177.300 0.425 0.000 1.250 205 P CA -0.537 62.742 63.100 0.298 0.000 0.793 205 P CB 0.383 32.210 31.700 0.213 0.000 1.011 206 W N 1.624 122.999 121.300 0.124 0.000 2.158 206 W HA 0.211 4.870 4.660 -0.001 0.000 0.339 206 W C -0.691 175.972 176.519 0.241 0.000 1.294 206 W CA -0.294 57.133 57.345 0.137 0.000 1.231 206 W CB 0.534 30.021 29.460 0.046 0.000 1.143 206 W HN 0.121 nan 8.180 nan 0.000 0.571 207 I N 5.444 125.870 120.570 -0.240 0.000 2.649 207 I HA -0.054 4.115 4.170 -0.001 0.000 0.275 207 I C 1.036 176.658 176.117 -0.824 0.000 1.180 207 I CA -0.430 60.615 61.300 -0.424 0.000 1.049 207 I CB 0.697 38.450 38.000 -0.413 0.000 1.234 207 I HN 0.455 nan 8.210 nan 0.000 0.506 208 S N 3.174 118.386 115.700 -0.813 0.000 2.421 208 S HA -0.210 4.259 4.470 -0.001 0.000 0.239 208 S C 1.536 175.907 174.600 -0.382 0.000 1.054 208 S CA 1.658 59.511 58.200 -0.579 0.000 1.035 208 S CB -0.113 62.941 63.200 -0.242 0.000 0.840 208 S HN 0.634 nan 8.310 nan 0.000 0.475 209 N N 1.729 120.230 118.700 -0.331 0.000 2.075 209 N HA 0.040 4.780 4.740 -0.001 0.000 0.192 209 N C 1.943 177.303 175.510 -0.251 0.000 1.081 209 N CA 1.179 54.088 53.050 -0.235 0.000 0.985 209 N CB -0.898 37.470 38.487 -0.198 0.000 1.154 209 N HN 0.450 nan 8.380 nan 0.000 0.484 210 I N -0.292 120.120 120.570 -0.265 0.000 2.227 210 I HA -0.331 3.839 4.170 -0.001 0.000 0.250 210 I C 2.057 178.050 176.117 -0.208 0.000 1.087 210 I CA 1.788 62.944 61.300 -0.241 0.000 1.352 210 I CB -0.614 37.211 38.000 -0.291 0.000 1.043 210 I HN 0.206 nan 8.210 nan 0.000 0.425 211 H N 1.159 120.066 119.070 -0.271 0.000 2.260 211 H HA -0.099 4.456 4.556 -0.001 0.000 0.304 211 H C 2.125 177.350 175.328 -0.171 0.000 1.059 211 H CA 1.959 57.845 56.048 -0.269 0.000 1.305 211 H CB -0.626 28.755 29.762 -0.634 0.000 1.388 211 H HN 0.513 nan 8.280 nan 0.000 0.496 212 E N 1.127 121.223 120.200 -0.173 0.000 2.393 212 E HA -0.184 4.165 4.350 -0.001 0.000 0.201 212 E C 1.539 178.170 176.600 0.050 0.000 1.025 212 E CA 0.976 57.402 56.400 0.043 0.000 0.856 212 E CB 0.167 29.869 29.700 0.003 0.000 0.771 212 E HN 0.401 nan 8.360 nan 0.000 0.526 213 K N 0.092 120.495 120.400 0.006 0.000 2.029 213 K HA -0.010 4.309 4.320 -0.001 0.000 0.205 213 K C 1.926 178.551 176.600 0.042 0.000 1.042 213 K CA 0.851 57.146 56.287 0.013 0.000 0.949 213 K CB -0.009 32.481 32.500 -0.018 0.000 0.740 213 K HN -0.041 nan 8.250 nan 0.000 0.442 214 K N 0.113 120.548 120.400 0.057 0.000 2.520 214 K HA -0.092 4.227 4.320 -0.001 0.000 0.197 214 K C 0.954 177.604 176.600 0.083 0.000 1.043 214 K CA 0.893 57.224 56.287 0.074 0.000 0.944 214 K CB -0.036 32.523 32.500 0.099 0.000 0.770 214 K HN 0.525 nan 8.250 nan 0.000 0.480 215 G N 0.728 109.584 108.800 0.093 0.000 2.176 215 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.232 215 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.232 215 G C 0.315 175.271 174.900 0.093 0.000 0.986 215 G CA -0.133 45.019 45.100 0.086 0.000 0.643 215 G HN 0.122 nan 8.290 nan 0.000 0.522 216 L N 0.194 121.496 121.223 0.130 0.000 2.348 216 L HA 0.506 4.845 4.340 -0.001 0.000 0.200 216 L C 1.190 178.063 176.870 0.005 0.000 1.154 216 L CA 0.732 55.624 54.840 0.087 0.000 0.856 216 L CB -0.069 42.080 42.059 0.151 0.000 1.297 216 L HN 0.237 nan 8.230 nan 0.000 0.550 217 T N -1.251 113.125 114.554 -0.297 0.000 2.901 217 T HA 0.253 4.602 4.350 -0.001 0.000 0.293 217 T C -0.754 173.245 174.700 -1.168 0.000 1.084 217 T CA -0.789 60.944 62.100 -0.610 0.000 1.008 217 T CB 1.867 70.292 68.868 -0.739 0.000 1.170 217 T HN 0.326 nan 8.240 nan 0.000 0.509 218 K N 1.739 121.415 120.400 -1.207 0.000 2.257 218 K HA 0.281 4.601 4.320 -0.001 0.000 0.270 218 K C -1.191 174.847 176.600 -0.936 0.000 1.098 218 K CA -0.440 54.966 56.287 -1.469 0.000 0.943 218 K CB 0.005 31.680 32.500 -1.376 0.000 1.316 218 K HN 0.477 nan 8.250 nan 0.000 0.447 219 Y N 3.360 123.148 120.300 -0.853 0.000 2.636 219 Y HA 0.122 4.672 4.550 -0.000 0.000 0.341 219 Y C 0.283 175.492 175.900 -1.150 0.000 1.169 219 Y CA -0.504 57.023 58.100 -0.955 0.000 1.498 219 Y CB 0.350 38.232 38.460 -0.963 0.000 1.362 219 Y HN 0.309 nan 8.280 nan 0.000 0.494 220 K N 2.998 123.107 120.400 -0.485 0.000 2.268 220 K HA 0.422 4.741 4.320 -0.001 0.000 0.276 220 K C -0.145 176.372 176.600 -0.138 0.000 1.080 220 K CA -0.151 55.946 56.287 -0.316 0.000 0.910 220 K CB 0.399 32.785 32.500 -0.191 0.000 1.163 220 K HN 0.648 nan 8.250 nan 0.000 0.465 221 S N 1.745 117.417 115.700 -0.045 0.000 2.694 221 S HA 0.414 4.883 4.470 -0.001 0.000 0.286 221 S C -0.298 174.342 174.600 0.066 0.000 1.080 221 S CA -0.831 57.398 58.200 0.048 0.000 0.953 221 S CB 1.237 64.502 63.200 0.108 0.000 1.313 221 S HN 0.406 nan 8.310 nan 0.000 0.555 222 S N 1.724 117.462 115.700 0.063 0.000 2.500 222 S HA 0.528 4.998 4.470 -0.001 0.000 0.301 222 S C -2.174 172.454 174.600 0.047 0.000 1.092 222 S CA -2.042 56.188 58.200 0.050 0.000 1.030 222 S CB 1.613 64.836 63.200 0.038 0.000 1.031 222 S HN 0.532 nan 8.310 nan 0.000 0.483 223 P HA 0.088 nan 4.420 nan 0.000 0.236 223 P C 0.277 177.596 177.300 0.032 0.000 1.177 223 P CA 0.657 63.775 63.100 0.030 0.000 0.773 223 P CB 0.215 31.933 31.700 0.029 0.000 0.878 224 E N -0.203 120.020 120.200 0.038 0.000 2.465 224 E HA 0.151 4.500 4.350 -0.001 0.000 0.195 224 E C 0.079 176.717 176.600 0.062 0.000 1.028 224 E CA 0.053 56.479 56.400 0.044 0.000 0.899 224 E CB 0.350 30.070 29.700 0.034 0.000 1.032 224 E HN 0.324 nan 8.360 nan 0.000 0.468 225 K N -0.175 120.267 120.400 0.070 0.000 2.397 225 K HA 0.114 4.434 4.320 -0.001 0.000 0.253 225 K C -0.564 176.117 176.600 0.135 0.000 0.932 225 K CA -0.640 55.709 56.287 0.102 0.000 0.795 225 K CB 1.527 34.074 32.500 0.078 0.000 1.159 225 K HN -0.008 nan 8.250 nan 0.000 0.424 226 W N 2.306 123.607 121.300 0.001 0.000 2.364 226 W HA -0.092 4.569 4.660 0.001 0.000 0.281 226 W C 0.516 177.046 176.519 0.017 0.000 1.219 226 W CA 1.251 58.596 57.345 0.001 0.000 1.220 226 W CB 0.497 29.945 29.460 -0.019 0.000 1.127 226 W HN 0.395 nan 8.180 nan 0.000 0.556 227 S N -0.921 114.874 115.700 0.159 0.000 2.423 227 S HA 0.164 4.633 4.470 -0.001 0.000 0.213 227 S C 0.629 175.278 174.600 0.082 0.000 1.131 227 S CA -0.055 58.187 58.200 0.070 0.000 1.155 227 S CB 0.205 63.512 63.200 0.178 0.000 1.202 227 S HN -0.008 nan 8.310 nan 0.000 0.441 228 T N 2.928 117.509 114.554 0.046 0.000 2.751 228 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 228 T C 1.934 176.660 174.700 0.043 0.000 1.045 228 T CA 1.991 64.118 62.100 0.046 0.000 1.142 228 T CB -0.250 68.641 68.868 0.039 0.000 0.851 228 T HN 0.779 nan 8.240 nan 0.000 0.474 229 A N -0.115 122.735 122.820 0.050 0.000 2.123 229 A HA 0.296 4.616 4.320 -0.001 0.000 0.214 229 A C 1.940 179.553 177.584 0.047 0.000 1.152 229 A CA 1.267 53.325 52.037 0.035 0.000 0.728 229 A CB -0.155 18.870 19.000 0.042 0.000 0.814 229 A HN 0.371 nan 8.150 nan 0.000 0.464 230 S N -1.222 114.529 115.700 0.084 0.000 1.646 230 S HA -0.203 4.267 4.470 -0.001 0.000 0.244 230 S C 0.298 174.974 174.600 0.127 0.000 0.878 230 S CA 0.908 59.164 58.200 0.092 0.000 1.313 230 S CB -1.937 61.295 63.200 0.053 0.000 1.591 230 S HN 1.035 nan 8.310 nan 0.000 0.522 231 D N 3.947 124.449 120.400 0.171 0.000 2.370 231 D HA 0.197 4.837 4.640 -0.001 0.000 0.235 231 D C -1.915 174.500 176.300 0.192 0.000 1.228 231 D CA -0.640 53.517 54.000 0.263 0.000 0.884 231 D CB -0.237 40.828 40.800 0.440 0.000 1.201 231 D HN 0.271 nan 8.370 nan 0.000 0.456 232 P HA 0.062 nan 4.420 nan 0.000 0.231 232 P C -1.256 175.716 177.300 -0.546 0.000 1.756 232 P CA -0.051 62.858 63.100 -0.319 0.000 0.990 232 P CB -0.928 30.379 31.700 -0.654 0.000 1.973 233 Y N -0.912 119.526 120.300 0.230 0.000 2.278 233 Y HA 0.097 4.647 4.550 0.000 0.000 0.328 233 Y C 0.604 176.376 175.900 -0.212 0.000 1.166 233 Y CA -0.938 57.204 58.100 0.070 0.000 1.211 233 Y CB 0.902 39.372 38.460 0.016 0.000 1.167 233 Y HN 0.036 nan 8.280 nan 0.000 0.434 234 S N 1.115 116.387 115.700 -0.713 0.000 2.563 234 S HA -0.061 4.409 4.470 -0.001 0.000 0.294 234 S C 0.889 175.172 174.600 -0.528 0.000 1.279 234 S CA -0.090 57.343 58.200 -1.278 0.000 1.069 234 S CB 0.774 62.794 63.200 -1.967 0.000 0.828 234 S HN 0.680 nan 8.310 nan 0.000 0.497 235 D N 2.209 122.388 120.400 -0.369 0.000 2.192 235 D HA -0.215 4.424 4.640 -0.001 0.000 0.189 235 D C 1.330 177.528 176.300 -0.170 0.000 1.007 235 D CA 1.787 55.677 54.000 -0.183 0.000 0.859 235 D CB -0.405 40.340 40.800 -0.091 0.000 0.936 235 D HN 0.685 nan 8.370 nan 0.000 0.447 236 F N 1.983 121.718 119.950 -0.358 0.000 2.026 236 F HA -0.187 4.339 4.527 -0.001 0.000 0.296 236 F C 2.324 177.950 175.800 -0.290 0.000 1.133 236 F CA 1.670 59.482 58.000 -0.313 0.000 1.188 236 F CB -0.690 38.124 39.000 -0.309 0.000 0.968 236 F HN -0.081 nan 8.300 nan 0.000 0.476 237 E N 0.088 119.961 120.200 -0.545 0.000 2.197 237 E HA -0.317 4.032 4.350 -0.001 0.000 0.205 237 E C 2.130 178.435 176.600 -0.491 0.000 1.029 237 E CA 2.047 58.090 56.400 -0.595 0.000 0.828 237 E CB -0.149 29.349 29.700 -0.338 0.000 0.737 237 E HN 0.517 nan 8.360 nan 0.000 0.464 238 K N -0.068 120.115 120.400 -0.362 0.000 1.974 238 K HA -0.116 4.204 4.320 -0.001 0.000 0.211 238 K C 2.398 178.786 176.600 -0.355 0.000 1.039 238 K CA 1.447 57.545 56.287 -0.315 0.000 0.947 238 K CB -0.501 31.841 32.500 -0.262 0.000 0.735 238 K HN 0.090 nan 8.250 nan 0.000 0.441 239 V N -0.309 119.372 119.914 -0.388 0.000 2.278 239 V HA -0.296 3.824 4.120 -0.001 0.000 0.251 239 V C 2.271 178.217 176.094 -0.247 0.000 1.062 239 V CA 2.571 64.642 62.300 -0.382 0.000 1.038 239 V CB -1.448 30.195 31.823 -0.302 0.000 0.646 239 V HN 0.448 nan 8.190 nan 0.000 0.447 240 T N -0.404 113.931 114.554 -0.365 0.000 2.881 240 T HA 0.107 4.456 4.350 -0.001 0.000 0.270 240 T C 1.633 176.136 174.700 -0.329 0.000 1.068 240 T CA 2.481 64.344 62.100 -0.394 0.000 1.131 240 T CB -0.779 67.498 68.868 -0.986 0.000 0.871 240 T HN 1.713 nan 8.240 nan 0.000 0.479 241 G N 0.965 109.552 108.800 -0.356 0.000 2.195 241 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.246 241 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.246 241 G C 0.316 175.014 174.900 -0.337 0.000 0.984 241 G CA 0.100 45.040 45.100 -0.266 0.000 0.633 241 G HN 0.605 nan 8.290 nan 0.000 0.525 242 R N 0.606 120.784 120.500 -0.538 0.000 3.247 242 R HA 0.667 5.006 4.340 -0.001 0.000 0.212 242 R C 0.335 176.005 176.300 -1.050 0.000 1.604 242 R CA 0.520 56.101 56.100 -0.865 0.000 1.279 242 R CB 0.012 29.729 30.300 -0.971 0.000 1.277 242 R HN 0.587 nan 8.270 nan 0.000 0.669 243 I N -0.947 119.306 120.570 -0.528 0.000 3.099 243 I HA 0.159 4.329 4.170 -0.001 0.000 0.308 243 I C -1.315 174.821 176.117 0.032 0.000 1.405 243 I CA -1.050 60.135 61.300 -0.191 0.000 0.953 243 I CB 2.397 40.320 38.000 -0.127 0.000 1.324 243 I HN 0.210 nan 8.210 nan 0.000 0.495 244 D N 4.164 124.672 120.400 0.180 0.000 2.479 244 D HA -0.032 4.607 4.640 -0.001 0.000 0.257 244 D C 0.772 177.144 176.300 0.120 0.000 1.230 244 D CA 0.351 54.471 54.000 0.200 0.000 0.912 244 D CB 0.903 41.878 40.800 0.292 0.000 1.130 244 D HN 0.337 nan 8.370 nan 0.000 0.515 245 K N 3.364 123.828 120.400 0.106 0.000 2.520 245 K HA -0.122 4.197 4.320 -0.001 0.000 0.197 245 K C 1.049 177.686 176.600 0.062 0.000 1.043 245 K CA 0.361 56.684 56.287 0.062 0.000 0.944 245 K CB -0.007 32.531 32.500 0.063 0.000 0.770 245 K HN 0.486 nan 8.250 nan 0.000 0.480 246 N N 0.493 119.258 118.700 0.108 0.000 2.376 246 N HA -0.057 4.682 4.740 -0.001 0.000 0.177 246 N C 0.092 175.634 175.510 0.054 0.000 1.024 246 N CA 0.130 53.234 53.050 0.091 0.000 0.893 246 N CB 0.187 38.758 38.487 0.141 0.000 0.980 246 N HN -0.112 nan 8.380 nan 0.000 0.439 247 V N 2.670 122.602 119.914 0.029 0.000 2.625 247 V HA -0.118 4.002 4.120 -0.001 0.000 0.305 247 V C 0.660 176.723 176.094 -0.051 0.000 1.055 247 V CA 0.185 62.451 62.300 -0.057 0.000 1.209 247 V CB -0.015 31.663 31.823 -0.241 0.000 0.877 247 V HN 0.179 nan 8.190 nan 0.000 0.489 248 S N 7.737 123.416 115.700 -0.035 0.000 2.561 248 S HA -0.005 4.464 4.470 -0.001 0.000 0.294 248 S C -1.206 173.375 174.600 -0.032 0.000 1.294 248 S CA -0.505 57.681 58.200 -0.023 0.000 1.055 248 S CB 0.559 63.750 63.200 -0.016 0.000 0.819 248 S HN 0.680 nan 8.310 nan 0.000 0.503 249 P HA -0.194 nan 4.420 nan 0.000 0.212 249 P C 1.663 178.963 177.300 0.000 0.000 1.178 249 P CA 1.039 64.136 63.100 -0.004 0.000 0.915 249 P CB -0.052 31.658 31.700 0.017 0.000 0.788 250 E N 0.137 120.341 120.200 0.007 0.000 2.448 250 E HA -0.177 4.172 4.350 -0.001 0.000 0.203 250 E C 1.336 177.924 176.600 -0.020 0.000 1.046 250 E CA 1.710 58.110 56.400 0.001 0.000 0.871 250 E CB -0.975 28.711 29.700 -0.023 0.000 0.790 250 E HN 0.230 nan 8.360 nan 0.000 0.545 251 A N 0.796 123.597 122.820 -0.031 0.000 2.303 251 A HA 0.211 4.531 4.320 -0.001 0.000 0.217 251 A C 2.008 179.550 177.584 -0.070 0.000 1.205 251 A CA 0.101 52.111 52.037 -0.046 0.000 0.875 251 A CB -0.068 18.900 19.000 -0.052 0.000 0.910 251 A HN 0.054 nan 8.150 nan 0.000 0.501 252 R N 0.292 120.750 120.500 -0.070 0.000 2.328 252 R HA -0.040 4.299 4.340 -0.001 0.000 0.207 252 R C 0.573 176.782 176.300 -0.152 0.000 1.056 252 R CA 0.403 56.426 56.100 -0.127 0.000 1.016 252 R CB -0.694 29.543 30.300 -0.106 0.000 0.872 252 R HN 0.609 nan 8.270 nan 0.000 0.471 253 H N -0.325 118.640 119.070 -0.174 0.000 2.548 253 H HA 0.160 4.715 4.556 -0.001 0.000 0.331 253 H C -1.925 173.302 175.328 -0.169 0.000 1.093 253 H CA -2.482 53.446 56.048 -0.200 0.000 1.367 253 H CB 1.784 31.523 29.762 -0.037 0.000 1.455 253 H HN -0.150 nan 8.280 nan 0.000 0.519 254 P HA -0.098 nan 4.420 nan 0.000 0.222 254 P C 0.779 178.195 177.300 0.194 0.000 1.142 254 P CA 1.235 64.342 63.100 0.012 0.000 0.788 254 P CB 0.215 31.835 31.700 -0.132 0.000 0.767 255 L N -2.682 118.820 121.223 0.465 0.000 2.959 255 L HA 0.186 4.526 4.340 -0.001 0.000 0.259 255 L C 0.001 176.834 176.870 -0.061 0.000 1.185 255 L CA -0.214 54.687 54.840 0.101 0.000 0.998 255 L CB 0.722 42.810 42.059 0.050 0.000 1.337 255 L HN -0.305 nan 8.230 nan 0.000 0.555 256 V N 1.140 121.030 119.914 -0.041 0.000 2.357 256 V HA 0.495 4.615 4.120 -0.001 0.000 0.284 256 V C 0.700 176.770 176.094 -0.039 0.000 1.018 256 V CA -0.913 61.329 62.300 -0.096 0.000 0.841 256 V CB 1.485 33.231 31.823 -0.128 0.000 0.991 256 V HN 0.265 nan 8.190 nan 0.000 0.437 257 A N 4.226 127.008 122.820 -0.064 0.000 2.587 257 A HA 0.442 4.761 4.320 -0.001 0.000 0.235 257 A C 0.863 178.499 177.584 0.086 0.000 1.044 257 A CA 0.736 52.739 52.037 -0.057 0.000 0.754 257 A CB 0.213 19.035 19.000 -0.297 0.000 0.968 257 A HN 1.593 nan 8.150 nan 0.000 0.509 258 A N 3.077 126.009 122.820 0.188 0.000 3.113 258 A HA 0.553 4.873 4.320 -0.001 0.000 0.307 258 A C -0.079 177.795 177.584 0.484 0.000 1.025 258 A CA -0.514 51.670 52.037 0.245 0.000 1.012 258 A CB -0.489 18.555 19.000 0.072 0.000 1.085 258 A HN 1.045 nan 8.150 nan 0.000 0.519 259 Y N -1.758 118.608 120.300 0.111 0.000 2.496 259 Y HA 0.845 5.394 4.550 -0.001 0.000 0.331 259 Y C -3.104 172.636 175.900 -0.267 0.000 1.140 259 Y CA -3.347 54.696 58.100 -0.096 0.000 1.166 259 Y CB 1.208 39.657 38.460 -0.019 0.000 1.249 259 Y HN 0.078 nan 8.280 nan 0.000 0.479 260 P HA 0.418 nan 4.420 nan 0.000 0.286 260 P C -1.052 176.020 177.300 -0.381 0.000 1.261 260 P CA -0.308 62.508 63.100 -0.473 0.000 0.821 260 P CB 1.496 32.901 31.700 -0.492 0.000 1.013 261 I N 1.996 122.365 120.570 -0.336 0.000 2.529 261 I HA 0.324 4.493 4.170 -0.001 0.000 0.284 261 I C -0.828 175.175 176.117 -0.190 0.000 1.088 261 I CA -0.876 60.282 61.300 -0.238 0.000 1.062 261 I CB 2.064 39.864 38.000 -0.333 0.000 1.218 261 I HN 0.061 nan 8.210 nan 0.000 0.442 262 V N 7.207 127.020 119.914 -0.167 0.000 2.680 262 V HA 0.670 4.790 4.120 -0.001 0.000 0.309 262 V C -1.154 174.911 176.094 -0.048 0.000 1.052 262 V CA -0.058 62.111 62.300 -0.218 0.000 0.908 262 V CB 2.018 33.600 31.823 -0.401 0.000 1.001 262 V HN 0.887 nan 8.190 nan 0.000 0.431 263 H N 3.355 122.381 119.070 -0.072 0.000 2.946 263 H HA 0.816 5.371 4.556 -0.001 0.000 0.365 263 H C -1.582 173.730 175.328 -0.027 0.000 1.197 263 H CA -1.064 54.965 56.048 -0.032 0.000 1.131 263 H CB 1.775 31.507 29.762 -0.049 0.000 1.849 263 H HN 0.447 nan 8.280 nan 0.000 0.555 264 V N 1.763 121.787 119.914 0.183 0.000 2.427 264 V HA 0.240 4.360 4.120 -0.001 0.000 0.286 264 V C -0.332 175.833 176.094 0.117 0.000 1.034 264 V CA -0.525 61.789 62.300 0.022 0.000 0.893 264 V CB 1.154 32.941 31.823 -0.062 0.000 0.982 264 V HN 0.887 nan 8.190 nan 0.000 0.452 265 D N 4.444 124.853 120.400 0.015 0.000 2.217 265 D HA 0.430 5.069 4.640 -0.001 0.000 0.243 265 D C -0.565 175.746 176.300 0.019 0.000 1.054 265 D CA -0.493 53.559 54.000 0.087 0.000 0.838 265 D CB 1.765 42.659 40.800 0.156 0.000 1.162 265 D HN 0.531 nan 8.370 nan 0.000 0.472 266 M N 4.244 123.859 119.600 0.025 0.000 2.043 266 M HA 0.242 4.721 4.480 -0.001 0.000 0.322 266 M C 0.460 176.768 176.300 0.015 0.000 0.962 266 M CA -0.354 54.946 55.300 -0.001 0.000 0.927 266 M CB 0.959 33.553 32.600 -0.010 0.000 1.466 266 M HN 0.369 nan 8.290 nan 0.000 0.412 267 E N 2.620 122.828 120.200 0.012 0.000 2.047 267 E HA -0.098 4.252 4.350 -0.001 0.000 0.191 267 E C -0.414 176.188 176.600 0.004 0.000 0.987 267 E CA 1.056 57.464 56.400 0.013 0.000 0.799 267 E CB 0.136 29.839 29.700 0.005 0.000 0.752 267 E HN 0.824 nan 8.360 nan 0.000 0.449 268 N N -0.336 118.360 118.700 -0.007 0.000 2.504 268 N HA 0.298 5.037 4.740 -0.001 0.000 0.268 268 N C -0.890 174.605 175.510 -0.025 0.000 1.184 268 N CA -0.728 52.315 53.050 -0.012 0.000 0.875 268 N CB 0.944 39.424 38.487 -0.013 0.000 1.630 268 N HN 0.027 nan 8.380 nan 0.000 0.486 269 I N -2.027 118.520 120.570 -0.038 0.000 3.100 269 I HA 0.741 4.910 4.170 -0.001 0.000 0.312 269 I C -0.774 175.298 176.117 -0.075 0.000 1.063 269 I CA -1.347 59.919 61.300 -0.056 0.000 1.031 269 I CB 2.053 40.010 38.000 -0.072 0.000 1.243 269 I HN 0.635 nan 8.210 nan 0.000 0.483 270 I N 3.298 123.818 120.570 -0.082 0.000 2.590 270 I HA 0.368 4.537 4.170 -0.001 0.000 0.283 270 I C -1.639 174.424 176.117 -0.091 0.000 1.154 270 I CA -0.417 60.830 61.300 -0.088 0.000 1.067 270 I CB 1.257 39.225 38.000 -0.053 0.000 1.243 270 I HN 0.565 nan 8.210 nan 0.000 0.451 271 L N 7.036 128.174 121.223 -0.142 0.000 2.292 271 L HA 0.609 4.949 4.340 -0.001 0.000 0.284 271 L C 0.041 176.899 176.870 -0.021 0.000 1.065 271 L CA -0.211 54.575 54.840 -0.088 0.000 0.806 271 L CB 1.635 43.575 42.059 -0.198 0.000 1.175 271 L HN 0.688 nan 8.230 nan 0.000 0.431 272 S N 1.136 116.854 115.700 0.030 0.000 2.579 272 S HA 0.465 4.934 4.470 -0.001 0.000 0.272 272 S C -1.010 173.603 174.600 0.021 0.000 1.141 272 S CA -1.245 56.967 58.200 0.020 0.000 0.843 272 S CB 1.794 64.995 63.200 0.001 0.000 1.122 272 S HN 0.591 nan 8.310 nan 0.000 0.468 273 K N 1.503 121.898 120.400 -0.007 0.000 2.383 273 K HA 0.194 4.513 4.320 -0.001 0.000 0.286 273 K C -0.099 176.493 176.600 -0.013 0.000 1.051 273 K CA -0.533 55.736 56.287 -0.029 0.000 0.974 273 K CB 0.233 32.707 32.500 -0.043 0.000 0.968 273 K HN 0.542 nan 8.250 nan 0.000 0.475 274 N N 3.396 122.091 118.700 -0.007 0.000 2.359 274 N HA -0.127 4.612 4.740 -0.001 0.000 0.261 274 N C -0.139 175.368 175.510 -0.006 0.000 1.267 274 N CA 0.461 53.511 53.050 -0.000 0.000 0.864 274 N CB 0.525 39.016 38.487 0.005 0.000 1.063 274 N HN 0.861 nan 8.380 nan 0.000 0.474 284 S N 0.645 116.344 115.700 -0.001 0.000 2.416 284 S HA 0.434 4.903 4.470 -0.001 0.000 0.287 284 S C 0.641 175.240 174.600 -0.000 0.000 1.139 284 S CA 0.187 58.386 58.200 -0.001 0.000 1.058 284 S CB 0.899 64.097 63.200 -0.003 0.000 0.967 284 S HN 0.201 nan 8.310 nan 0.000 0.495 285 Q N 2.098 121.899 119.800 0.001 0.000 2.427 285 Q HA 0.065 4.404 4.340 -0.001 0.000 0.249 285 Q C 1.323 177.325 176.000 0.003 0.000 0.783 285 Q CA 0.462 56.266 55.803 0.001 0.000 0.978 285 Q CB 0.386 29.125 28.738 0.001 0.000 1.273 285 Q HN 0.813 nan 8.270 nan 0.000 0.524 286 T N -1.734 112.824 114.554 0.007 0.000 3.054 286 T HA 0.205 4.555 4.350 -0.001 0.000 0.255 286 T C 1.099 175.809 174.700 0.018 0.000 1.035 286 T CA -0.389 61.718 62.100 0.013 0.000 0.941 286 T CB 0.230 69.108 68.868 0.016 0.000 1.026 286 T HN -0.068 nan 8.240 nan 0.000 0.533 287 R N 2.817 123.325 120.500 0.013 0.000 2.423 287 R HA 0.190 4.529 4.340 -0.001 0.000 0.248 287 R C 0.468 176.777 176.300 0.014 0.000 1.019 287 R CA 0.108 56.218 56.100 0.017 0.000 1.119 287 R CB -1.034 29.270 30.300 0.007 0.000 1.176 287 R HN 0.682 nan 8.270 nan 0.000 0.526 288 T N -1.798 112.761 114.554 0.008 0.000 2.848 288 T HA 0.629 4.978 4.350 -0.001 0.000 0.285 288 T C 0.313 174.999 174.700 -0.025 0.000 0.995 288 T CA -0.980 61.116 62.100 -0.008 0.000 0.970 288 T CB 1.731 70.591 68.868 -0.013 0.000 0.976 288 T HN 0.215 nan 8.240 nan 0.000 0.441 289 I N 0.133 120.660 120.570 -0.072 0.000 2.392 289 I HA 0.780 4.950 4.170 -0.001 0.000 0.295 289 I C -0.184 175.847 176.117 -0.144 0.000 0.985 289 I CA -0.635 60.588 61.300 -0.128 0.000 1.221 289 I CB 1.880 39.687 38.000 -0.321 0.000 1.366 289 I HN 0.653 nan 8.210 nan 0.000 0.467 290 S N 5.568 121.212 115.700 -0.093 0.000 2.652 290 S HA 0.431 4.901 4.470 -0.001 0.000 0.252 290 S C -0.638 173.935 174.600 -0.046 0.000 1.219 290 S CA -0.788 57.367 58.200 -0.075 0.000 1.151 290 S CB 0.272 63.446 63.200 -0.044 0.000 1.080 290 S HN 0.598 nan 8.310 nan 0.000 0.481 291 K N 2.791 123.158 120.400 -0.055 0.000 2.166 291 K HA 0.508 4.828 4.320 -0.001 0.000 0.245 291 K C -0.192 176.410 176.600 0.003 0.000 0.967 291 K CA -0.816 55.472 56.287 0.002 0.000 0.863 291 K CB 0.774 33.304 32.500 0.050 0.000 1.107 291 K HN 0.526 nan 8.250 nan 0.000 0.436 292 N N 0.014 118.729 118.700 0.025 0.000 2.413 292 N HA 0.369 5.109 4.740 -0.001 0.000 0.266 292 N C -0.508 175.022 175.510 0.033 0.000 1.238 292 N CA -0.157 52.906 53.050 0.021 0.000 0.972 292 N CB 0.717 39.218 38.487 0.023 0.000 1.210 292 N HN 0.598 nan 8.380 nan 0.000 0.547 293 T N -3.711 110.859 114.554 0.027 0.000 2.883 293 T HA 0.660 5.009 4.350 -0.001 0.000 0.301 293 T C -1.098 173.621 174.700 0.030 0.000 1.158 293 T CA -0.924 61.195 62.100 0.031 0.000 1.007 293 T CB 1.129 70.009 68.868 0.020 0.000 1.186 293 T HN 0.168 nan 8.240 nan 0.000 0.499 294 S N 1.601 117.319 115.700 0.030 0.000 2.669 294 S HA 0.613 5.083 4.470 -0.001 0.000 0.315 294 S C -0.183 174.428 174.600 0.019 0.000 1.106 294 S CA -0.714 57.502 58.200 0.026 0.000 1.107 294 S CB 1.086 64.297 63.200 0.019 0.000 0.990 294 S HN 0.854 nan 8.310 nan 0.000 0.471 295 T N 2.608 117.181 114.554 0.031 0.000 2.934 295 T HA 0.776 5.125 4.350 -0.001 0.000 0.283 295 T C -0.178 174.521 174.700 -0.002 0.000 1.005 295 T CA -0.823 61.289 62.100 0.021 0.000 1.041 295 T CB 1.266 70.167 68.868 0.055 0.000 1.042 295 T HN 0.650 nan 8.240 nan 0.000 0.505 296 S N 0.766 116.423 115.700 -0.070 0.000 2.586 296 S HA 0.418 4.887 4.470 -0.001 0.000 0.296 296 S C -0.762 173.688 174.600 -0.251 0.000 1.120 296 S CA -1.148 56.968 58.200 -0.140 0.000 0.927 296 S CB 0.914 64.067 63.200 -0.079 0.000 1.114 296 S HN 0.692 nan 8.310 nan 0.000 0.453 297 R N 1.124 121.349 120.500 -0.458 0.000 2.740 297 R HA 0.338 4.677 4.340 -0.001 0.000 0.263 297 R C 0.870 177.059 176.300 -0.185 0.000 0.997 297 R CA 1.363 57.210 56.100 -0.423 0.000 1.108 297 R CB 0.256 30.312 30.300 -0.406 0.000 0.969 297 R HN 0.924 nan 8.270 nan 0.000 0.431 298 T N -1.702 112.790 114.554 -0.103 0.000 2.724 298 T HA 0.311 4.660 4.350 -0.001 0.000 0.274 298 T C -0.443 174.298 174.700 0.069 0.000 0.984 298 T CA -0.610 61.475 62.100 -0.025 0.000 1.024 298 T CB 1.607 70.467 68.868 -0.013 0.000 1.320 298 T HN 0.781 nan 8.240 nan 0.000 0.555 299 H N -0.027 119.009 119.070 -0.057 0.000 3.757 299 H HA 0.262 4.817 4.556 -0.001 0.000 0.214 299 H C -0.025 175.328 175.328 0.041 0.000 1.275 299 H CA 0.284 56.305 56.048 -0.046 0.000 1.205 299 H CB -0.599 29.069 29.762 -0.157 0.000 2.906 299 H HN 1.081 nan 8.280 nan 0.000 0.550 300 T N -1.304 113.247 114.554 -0.005 0.000 2.723 300 T HA -0.002 4.347 4.350 -0.001 0.000 0.260 300 T C 0.848 175.563 174.700 0.026 0.000 1.019 300 T CA 1.007 63.114 62.100 0.011 0.000 1.155 300 T CB 0.895 69.765 68.868 0.003 0.000 1.024 300 T HN 0.359 nan 8.240 nan 0.000 0.491 301 S N 2.215 117.965 115.700 0.083 0.000 2.561 301 S HA 0.403 4.873 4.470 -0.001 0.000 0.282 301 S C 0.237 174.855 174.600 0.030 0.000 1.123 301 S CA -0.928 57.336 58.200 0.108 0.000 1.011 301 S CB 0.759 64.067 63.200 0.181 0.000 1.244 301 S HN 0.864 nan 8.310 nan 0.000 0.503 302 E N 0.103 120.312 120.200 0.015 0.000 2.322 302 E HA 0.374 4.723 4.350 -0.001 0.000 0.257 302 E C 0.217 176.838 176.600 0.035 0.000 1.155 302 E CA -0.688 55.716 56.400 0.007 0.000 0.936 302 E CB 0.909 30.617 29.700 0.012 0.000 1.130 302 E HN 0.485 nan 8.360 nan 0.000 0.465 303 V N -1.731 118.187 119.914 0.007 0.000 3.894 303 V HA 0.060 4.180 4.120 -0.001 0.000 0.268 303 V C 1.119 177.308 176.094 0.159 0.000 0.956 303 V CA 0.179 62.490 62.300 0.018 0.000 0.843 303 V CB -0.076 31.686 31.823 -0.101 0.000 1.198 303 V HN 0.733 nan 8.190 nan 0.000 0.393 304 H N 0.412 119.475 119.070 -0.012 0.000 2.287 304 H HA 0.411 4.966 4.556 -0.001 0.000 0.309 304 H C 1.295 176.626 175.328 0.005 0.000 1.059 304 H CA 0.570 56.618 56.048 0.000 0.000 1.357 304 H CB 0.216 29.976 29.762 -0.002 0.000 1.409 304 H HN 0.919 nan 8.280 nan 0.000 0.515 305 G N 0.146 109.025 108.800 0.131 0.000 3.643 305 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.232 305 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.232 305 G C -0.315 174.612 174.900 0.045 0.000 3.381 305 G CA 0.061 45.206 45.100 0.075 0.000 0.783 305 G HN 0.544 nan 8.290 nan 0.000 0.357 306 N N -1.366 117.335 118.700 0.001 0.000 1.863 306 N HA 0.121 4.860 4.740 -0.001 0.000 0.241 306 N C 0.819 176.297 175.510 -0.053 0.000 1.395 306 N CA 0.480 53.523 53.050 -0.012 0.000 0.765 306 N CB 0.011 38.498 38.487 -0.000 0.000 1.120 306 N HN 0.929 nan 8.380 nan 0.000 0.510 307 A N 2.121 124.885 122.820 -0.093 0.000 2.526 307 A HA 0.090 4.409 4.320 -0.001 0.000 0.267 307 A C 0.271 177.775 177.584 -0.133 0.000 1.095 307 A CA 0.174 52.139 52.037 -0.121 0.000 0.775 307 A CB -0.563 18.344 19.000 -0.156 0.000 1.036 307 A HN 0.285 nan 8.150 nan 0.000 0.510 308 E N 1.663 121.809 120.200 -0.089 0.000 2.406 308 E HA 0.176 4.526 4.350 -0.001 0.000 0.247 308 E C 0.119 176.661 176.600 -0.096 0.000 1.160 308 E CA 0.046 56.402 56.400 -0.072 0.000 0.950 308 E CB -0.094 29.584 29.700 -0.036 0.000 0.993 308 E HN 0.557 nan 8.360 nan 0.000 0.472 309 V N 1.559 121.371 119.914 -0.171 0.000 2.483 309 V HA 0.237 4.357 4.120 -0.001 0.000 0.295 309 V C 0.492 176.518 176.094 -0.114 0.000 1.035 309 V CA -1.230 60.941 62.300 -0.215 0.000 0.896 309 V CB 1.235 32.654 31.823 -0.674 0.000 0.986 309 V HN 0.630 nan 8.190 nan 0.000 0.447 310 H N 3.674 122.688 119.070 -0.094 0.000 3.073 310 H HA 0.145 4.700 4.556 -0.001 0.000 0.340 310 H C 1.361 176.695 175.328 0.011 0.000 1.054 310 H CA 0.270 56.301 56.048 -0.028 0.000 1.372 310 H CB 0.524 30.278 29.762 -0.015 0.000 1.314 310 H HN 0.955 nan 8.280 nan 0.000 0.603 311 A N 2.927 125.787 122.820 0.066 0.000 2.042 311 A HA -0.198 4.121 4.320 -0.001 0.000 0.222 311 A C 2.101 179.687 177.584 0.004 0.000 1.167 311 A CA 1.678 53.750 52.037 0.058 0.000 0.649 311 A CB -0.806 18.249 19.000 0.092 0.000 0.809 311 A HN 0.720 nan 8.150 nan 0.000 0.457 312 S N -1.162 114.522 115.700 -0.026 0.000 2.881 312 S HA 0.101 4.570 4.470 -0.001 0.000 0.228 312 S C 0.833 175.316 174.600 -0.195 0.000 0.965 312 S CA 0.206 58.388 58.200 -0.030 0.000 0.998 312 S CB -0.561 62.735 63.200 0.161 0.000 0.795 312 S HN 0.612 nan 8.310 nan 0.000 0.518 313 F N 0.592 120.241 119.950 -0.502 0.000 2.446 313 F HA 0.338 4.864 4.527 -0.001 0.000 0.292 313 F C 0.442 175.929 175.800 -0.522 0.000 1.096 313 F CA -0.033 57.588 58.000 -0.633 0.000 1.438 313 F CB 0.139 38.605 39.000 -0.891 0.000 1.107 313 F HN 0.166 nan 8.300 nan 0.000 0.546 314 F N 1.422 121.253 119.950 -0.198 0.000 2.898 314 F HA 0.243 4.770 4.527 -0.001 0.000 0.290 314 F C 0.273 175.973 175.800 -0.166 0.000 1.195 314 F CA -0.821 57.032 58.000 -0.246 0.000 1.387 314 F CB -0.907 38.033 39.000 -0.100 0.000 0.976 314 F HN -0.155 nan 8.300 nan 0.000 0.510 315 D N -0.328 120.038 120.400 -0.058 0.000 2.569 315 D HA 0.391 5.030 4.640 -0.001 0.000 0.266 315 D C 0.309 176.574 176.300 -0.059 0.000 1.164 315 D CA -0.470 53.512 54.000 -0.029 0.000 1.071 315 D CB 1.943 42.732 40.800 -0.019 0.000 1.183 315 D HN -0.106 nan 8.370 nan 0.000 0.613 316 I N 0.946 121.495 120.570 -0.035 0.000 2.363 316 I HA 0.170 4.339 4.170 -0.001 0.000 0.292 316 I C 1.516 177.610 176.117 -0.037 0.000 1.075 316 I CA 0.265 61.543 61.300 -0.037 0.000 1.333 316 I CB 0.438 38.425 38.000 -0.021 0.000 1.415 316 I HN 0.699 nan 8.210 nan 0.000 0.502 317 G N 4.737 113.507 108.800 -0.050 0.000 2.480 317 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.246 317 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.246 317 G C 0.814 175.692 174.900 -0.037 0.000 1.073 317 G CA 0.115 45.192 45.100 -0.037 0.000 0.643 317 G HN 0.900 nan 8.290 nan 0.000 0.525 318 G N -0.556 108.221 108.800 -0.039 0.000 2.346 318 G HA2 0.520 4.480 3.960 -0.001 0.000 0.275 318 G HA3 0.520 4.480 3.960 -0.001 0.000 0.275 318 G C 1.078 175.948 174.900 -0.050 0.000 1.190 318 G CA 1.160 46.249 45.100 -0.020 0.000 1.015 318 G HN 1.477 nan 8.290 nan 0.000 0.441 319 S N 0.274 115.987 115.700 0.021 0.000 2.723 319 S HA -0.241 4.228 4.470 -0.001 0.000 0.261 319 S C 1.150 175.755 174.600 0.007 0.000 1.294 319 S CA 1.058 59.301 58.200 0.073 0.000 1.467 319 S CB -1.199 62.051 63.200 0.083 0.000 1.849 319 S HN 0.806 nan 8.310 nan 0.000 0.672 320 V N 3.529 123.355 119.914 -0.146 0.000 2.070 320 V HA 0.082 4.201 4.120 -0.001 0.000 0.239 320 V C 1.503 177.547 176.094 -0.084 0.000 1.472 320 V CA 0.807 62.972 62.300 -0.224 0.000 1.453 320 V CB -0.225 31.453 31.823 -0.242 0.000 1.503 320 V HN 0.740 nan 8.190 nan 0.000 0.501 321 S N 2.112 117.806 115.700 -0.011 0.000 2.595 321 S HA 0.071 4.541 4.470 -0.001 0.000 0.235 321 S C 1.534 176.100 174.600 -0.056 0.000 0.974 321 S CA 0.366 58.563 58.200 -0.005 0.000 0.942 321 S CB -0.330 62.886 63.200 0.026 0.000 0.766 321 S HN 1.686 nan 8.310 nan 0.000 0.536 322 A N -0.027 122.740 122.820 -0.089 0.000 2.832 322 A HA 0.039 4.358 4.320 -0.001 0.000 0.280 322 A C 1.817 179.204 177.584 -0.328 0.000 1.464 322 A CA 1.195 53.139 52.037 -0.154 0.000 0.804 322 A CB -2.181 16.751 19.000 -0.114 0.000 1.020 322 A HN 2.117 nan 8.150 nan 0.000 0.563 323 G N -2.428 106.216 108.800 -0.259 0.000 3.909 323 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.218 323 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.218 323 G C 0.155 174.856 174.900 -0.333 0.000 1.404 323 G CA 0.767 45.628 45.100 -0.398 0.000 0.905 323 G HN 2.253 nan 8.290 nan 0.000 0.589 324 F N 0.807 120.710 119.950 -0.078 0.000 2.591 324 F HA 0.884 5.410 4.527 -0.001 0.000 0.309 324 F C 0.009 175.774 175.800 -0.058 0.000 1.098 324 F CA -0.938 56.945 58.000 -0.195 0.000 0.937 324 F CB 1.341 39.976 39.000 -0.609 0.000 1.250 324 F HN 0.870 nan 8.300 nan 0.000 0.447 325 S N 0.465 116.288 115.700 0.204 0.000 2.911 325 S HA 0.558 5.027 4.470 -0.001 0.000 0.319 325 S C -1.273 173.431 174.600 0.174 0.000 1.154 325 S CA -1.211 57.102 58.200 0.189 0.000 0.857 325 S CB 1.079 64.343 63.200 0.107 0.000 1.279 325 S HN 0.606 nan 8.310 nan 0.000 0.593 326 N N 1.679 120.463 118.700 0.139 0.000 2.420 326 N HA 0.472 5.211 4.740 -0.001 0.000 0.262 326 N C -0.830 174.739 175.510 0.098 0.000 1.144 326 N CA 0.333 53.459 53.050 0.127 0.000 0.952 326 N CB 0.964 39.517 38.487 0.111 0.000 1.081 326 N HN 0.653 nan 8.380 nan 0.000 0.480 327 S N 2.365 118.125 115.700 0.100 0.000 2.799 327 S HA 0.036 4.506 4.470 -0.001 0.000 0.303 327 S C -1.843 172.808 174.600 0.086 0.000 0.835 327 S CA -0.876 57.373 58.200 0.081 0.000 0.783 327 S CB 0.126 63.366 63.200 0.067 0.000 0.985 327 S HN 0.444 nan 8.310 nan 0.000 0.507 328 N N 2.570 121.321 118.700 0.085 0.000 2.444 328 N HA 0.393 5.133 4.740 -0.001 0.000 0.271 328 N C -0.895 174.658 175.510 0.072 0.000 1.069 328 N CA -0.103 52.998 53.050 0.086 0.000 0.965 328 N CB 1.677 40.229 38.487 0.109 0.000 1.092 328 N HN 0.476 nan 8.380 nan 0.000 0.476 329 S N 0.999 116.729 115.700 0.050 0.000 2.721 329 S HA 0.282 4.751 4.470 -0.001 0.000 0.264 329 S C -0.254 174.342 174.600 -0.007 0.000 1.161 329 S CA -0.768 57.450 58.200 0.031 0.000 1.113 329 S CB -0.017 63.199 63.200 0.027 0.000 1.079 329 S HN 0.521 nan 8.310 nan 0.000 0.479 330 S N 3.308 119.002 115.700 -0.011 0.000 2.681 330 S HA 0.809 5.278 4.470 -0.001 0.000 0.270 330 S C -0.171 174.407 174.600 -0.037 0.000 1.209 330 S CA -0.480 57.678 58.200 -0.070 0.000 0.988 330 S CB 1.320 64.501 63.200 -0.032 0.000 1.006 330 S HN 0.612 nan 8.310 nan 0.000 0.558 331 T N 0.839 115.364 114.554 -0.048 0.000 3.071 331 T HA 0.540 4.889 4.350 -0.001 0.000 0.311 331 T C -0.458 174.232 174.700 -0.018 0.000 1.042 331 T CA -0.670 61.415 62.100 -0.025 0.000 1.028 331 T CB 1.234 70.087 68.868 -0.024 0.000 1.068 331 T HN 1.008 nan 8.240 nan 0.000 0.451 332 V N 0.504 120.415 119.914 -0.006 0.000 2.975 332 V HA 1.070 5.189 4.120 -0.001 0.000 0.318 332 V C -0.345 175.753 176.094 0.005 0.000 1.077 332 V CA -1.102 61.199 62.300 0.003 0.000 1.000 332 V CB 1.461 33.288 31.823 0.007 0.000 1.066 332 V HN 1.126 nan 8.190 nan 0.000 0.452 333 A N 3.306 126.134 122.820 0.014 0.000 2.422 333 A HA 0.844 5.163 4.320 -0.001 0.000 0.302 333 A C -0.770 176.843 177.584 0.048 0.000 1.041 333 A CA -0.757 51.292 52.037 0.021 0.000 0.708 333 A CB 1.241 20.245 19.000 0.006 0.000 1.257 333 A HN 0.909 nan 8.150 nan 0.000 0.414 334 I N 2.060 122.677 120.570 0.078 0.000 2.342 334 I HA 0.138 4.308 4.170 -0.001 0.000 0.291 334 I C 0.249 176.469 176.117 0.172 0.000 1.010 334 I CA -0.561 60.810 61.300 0.119 0.000 1.308 334 I CB 1.195 39.298 38.000 0.170 0.000 1.400 334 I HN 0.690 nan 8.210 nan 0.000 0.488 335 D N 7.025 127.521 120.400 0.160 0.000 2.554 335 D HA -0.171 4.468 4.640 -0.001 0.000 0.251 335 D C 1.281 177.742 176.300 0.268 0.000 1.213 335 D CA 0.357 54.476 54.000 0.198 0.000 0.900 335 D CB 0.619 41.494 40.800 0.126 0.000 1.135 335 D HN 0.609 nan 8.370 nan 0.000 0.522 336 H N 1.808 120.952 119.070 0.124 0.000 2.551 336 H HA 0.086 4.642 4.556 -0.001 0.000 0.266 336 H C 0.367 175.803 175.328 0.180 0.000 0.977 336 H CA -0.349 55.787 56.048 0.147 0.000 1.163 336 H CB -0.106 29.711 29.762 0.091 0.000 1.381 336 H HN 0.058 nan 8.280 nan 0.000 0.581 337 S N 0.452 115.994 115.700 -0.263 0.000 2.618 337 S HA 0.286 4.756 4.470 -0.001 0.000 0.254 337 S C 0.833 175.420 174.600 -0.022 0.000 1.284 337 S CA -0.537 57.526 58.200 -0.228 0.000 0.975 337 S CB 0.567 63.697 63.200 -0.117 0.000 1.022 337 S HN 0.216 nan 8.310 nan 0.000 0.571 338 L N 0.199 121.435 121.223 0.022 0.000 2.387 338 L HA 0.473 4.813 4.340 -0.001 0.000 0.266 338 L C 1.135 178.053 176.870 0.080 0.000 1.059 338 L CA -0.207 54.673 54.840 0.067 0.000 0.801 338 L CB 1.422 43.532 42.059 0.085 0.000 1.223 338 L HN 0.653 nan 8.230 nan 0.000 0.456 339 S N -0.338 115.411 115.700 0.082 0.000 2.769 339 S HA 0.411 4.880 4.470 -0.001 0.000 0.258 339 S C 0.373 175.002 174.600 0.049 0.000 1.080 339 S CA -0.271 57.966 58.200 0.061 0.000 0.943 339 S CB 0.461 63.700 63.200 0.065 0.000 0.893 339 S HN 0.429 nan 8.310 nan 0.000 0.490 340 L N -0.105 121.154 121.223 0.061 0.000 2.606 340 L HA 0.757 5.096 4.340 -0.001 0.000 0.255 340 L C 1.414 178.315 176.870 0.053 0.000 1.501 340 L CA -0.453 54.416 54.840 0.049 0.000 1.593 340 L CB 0.161 42.251 42.059 0.053 0.000 2.049 340 L HN 0.189 nan 8.230 nan 0.000 0.576 341 A N 0.031 122.877 122.820 0.045 0.000 3.470 341 A HA 0.211 4.531 4.320 -0.001 0.000 0.174 341 A C 1.312 178.919 177.584 0.038 0.000 1.652 341 A CA 0.755 52.818 52.037 0.043 0.000 0.777 341 A CB -1.441 17.578 19.000 0.033 0.000 1.128 341 A HN 0.762 nan 8.150 nan 0.000 0.452 342 G N 0.789 109.605 108.800 0.026 0.000 3.374 342 G HA2 0.344 4.304 3.960 -0.001 0.000 0.252 342 G HA3 0.344 4.304 3.960 -0.001 0.000 0.252 342 G C 0.302 175.212 174.900 0.016 0.000 1.326 342 G CA 0.339 45.445 45.100 0.010 0.000 1.133 342 G HN 0.790 nan 8.290 nan 0.000 0.528 343 E N -0.241 119.980 120.200 0.035 0.000 2.492 343 E HA 0.149 4.498 4.350 -0.001 0.000 0.266 343 E C 0.023 176.650 176.600 0.044 0.000 1.047 343 E CA -0.123 56.314 56.400 0.061 0.000 0.968 343 E CB 0.715 30.474 29.700 0.098 0.000 0.960 343 E HN 0.233 nan 8.360 nan 0.000 0.452 344 R N 1.226 121.768 120.500 0.071 0.000 2.560 344 R HA 0.136 4.476 4.340 -0.001 0.000 0.267 344 R C -1.573 174.775 176.300 0.080 0.000 1.150 344 R CA -0.058 56.073 56.100 0.051 0.000 0.997 344 R CB 1.550 31.869 30.300 0.031 0.000 1.250 344 R HN 0.747 nan 8.270 nan 0.000 0.433 345 T N 4.380 118.962 114.554 0.047 0.000 1.247 345 T HA -0.132 4.217 4.350 -0.001 0.000 0.692 345 T C 0.947 175.776 174.700 0.215 0.000 0.971 345 T CA 0.969 63.101 62.100 0.053 0.000 3.665 345 T CB -0.395 68.519 68.868 0.076 0.000 2.085 345 T HN 0.649 nan 8.240 nan 0.000 0.386 346 W N 1.835 123.235 121.300 0.166 0.000 2.276 346 W HA -0.249 4.411 4.660 -0.001 0.000 0.307 346 W C 2.391 179.065 176.519 0.260 0.000 1.240 346 W CA 1.197 58.685 57.345 0.239 0.000 1.249 346 W CB -1.661 27.992 29.460 0.321 0.000 1.140 346 W HN 0.994 nan 8.180 nan 0.000 0.519 347 A N 0.648 123.752 122.820 0.473 0.000 1.862 347 A HA -0.311 4.009 4.320 -0.001 0.000 0.217 347 A C 1.896 179.595 177.584 0.191 0.000 1.251 347 A CA 2.518 54.729 52.037 0.290 0.000 0.673 347 A CB -1.290 17.870 19.000 0.266 0.000 0.843 347 A HN 0.412 nan 8.150 nan 0.000 0.458 348 E N -1.147 119.150 120.200 0.162 0.000 2.233 348 E HA -0.177 4.172 4.350 -0.001 0.000 0.199 348 E C 2.079 178.746 176.600 0.112 0.000 1.004 348 E CA 1.563 58.030 56.400 0.112 0.000 0.819 348 E CB -0.467 29.289 29.700 0.094 0.000 0.738 348 E HN 0.712 nan 8.360 nan 0.000 0.478 349 T N 0.789 115.440 114.554 0.161 0.000 2.674 349 T HA -0.147 4.203 4.350 -0.001 0.000 0.265 349 T C 1.904 176.672 174.700 0.113 0.000 1.039 349 T CA 1.282 63.473 62.100 0.153 0.000 1.150 349 T CB -0.071 68.936 68.868 0.232 0.000 0.864 349 T HN 0.136 nan 8.240 nan 0.000 0.427 350 M N -0.199 119.474 119.600 0.122 0.000 2.276 350 M HA 0.254 4.733 4.480 -0.001 0.000 0.262 350 M C 1.430 177.742 176.300 0.020 0.000 1.098 350 M CA 1.061 56.396 55.300 0.057 0.000 1.167 350 M CB 0.381 33.004 32.600 0.037 0.000 1.337 350 M HN 0.471 nan 8.290 nan 0.000 0.446 351 G N 1.801 110.611 108.800 0.016 0.000 2.618 351 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.180 351 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.180 351 G C -0.685 174.187 174.900 -0.045 0.000 1.092 351 G CA -0.697 44.401 45.100 -0.004 0.000 0.856 351 G HN 0.261 nan 8.290 nan 0.000 0.496 352 L N 0.936 122.127 121.223 -0.054 0.000 2.282 352 L HA 0.533 4.872 4.340 -0.001 0.000 0.288 352 L C -0.152 176.650 176.870 -0.114 0.000 1.033 352 L CA -1.008 53.778 54.840 -0.091 0.000 0.807 352 L CB 1.242 43.174 42.059 -0.212 0.000 1.209 352 L HN 0.177 nan 8.230 nan 0.000 0.423 353 N N 1.000 119.528 118.700 -0.286 0.000 2.335 353 N HA 0.278 5.018 4.740 -0.001 0.000 0.304 353 N C 0.816 175.899 175.510 -0.711 0.000 1.135 353 N CA -0.488 52.248 53.050 -0.522 0.000 0.817 353 N CB 1.977 40.303 38.487 -0.268 0.000 1.294 353 N HN 0.477 nan 8.380 nan 0.000 0.497 354 T N 1.379 115.367 114.554 -0.944 0.000 2.719 354 T HA -0.289 4.060 4.350 -0.001 0.000 0.254 354 T C 1.124 175.687 174.700 -0.229 0.000 1.106 354 T CA 2.351 64.115 62.100 -0.560 0.000 1.146 354 T CB -0.301 68.405 68.868 -0.269 0.000 0.839 354 T HN 0.730 nan 8.240 nan 0.000 0.473 355 A N 2.011 124.723 122.820 -0.180 0.000 3.105 355 A HA 0.348 4.667 4.320 -0.001 0.000 0.272 355 A C -0.030 177.508 177.584 -0.077 0.000 1.466 355 A CA -0.348 51.635 52.037 -0.090 0.000 1.101 355 A CB 0.008 18.965 19.000 -0.071 0.000 1.065 355 A HN 0.347 nan 8.150 nan 0.000 0.643 356 D N -0.036 120.320 120.400 -0.073 0.000 2.547 356 D HA 0.522 5.161 4.640 -0.001 0.000 0.231 356 D C -0.532 175.768 176.300 0.000 0.000 1.099 356 D CA 0.053 54.024 54.000 -0.048 0.000 0.901 356 D CB 2.205 42.953 40.800 -0.085 0.000 1.478 356 D HN 0.291 nan 8.370 nan 0.000 0.471 357 T N -2.133 112.419 114.554 -0.003 0.000 2.841 357 T HA 0.767 5.116 4.350 -0.001 0.000 0.283 357 T C -0.612 174.096 174.700 0.013 0.000 1.000 357 T CA -0.864 61.251 62.100 0.024 0.000 0.977 357 T CB 1.789 70.672 68.868 0.025 0.000 0.979 357 T HN 0.363 nan 8.240 nan 0.000 0.446 358 A N 3.640 126.490 122.820 0.051 0.000 2.318 358 A HA 0.755 5.074 4.320 -0.001 0.000 0.324 358 A C 0.296 177.937 177.584 0.095 0.000 1.170 358 A CA -1.243 50.839 52.037 0.074 0.000 0.810 358 A CB 0.758 19.867 19.000 0.181 0.000 1.198 358 A HN 1.021 nan 8.150 nan 0.000 0.484 359 R N 2.182 122.720 120.500 0.063 0.000 2.265 359 R HA 0.654 4.994 4.340 -0.001 0.000 0.319 359 R C -0.922 175.402 176.300 0.040 0.000 1.006 359 R CA -0.628 55.499 56.100 0.045 0.000 0.880 359 R CB 0.897 31.211 30.300 0.025 0.000 1.077 359 R HN 0.461 nan 8.270 nan 0.000 0.454 360 L N 2.188 123.428 121.223 0.029 0.000 2.360 360 L HA 0.548 4.887 4.340 -0.001 0.000 0.271 360 L C -0.897 175.969 176.870 -0.006 0.000 1.057 360 L CA -0.322 54.520 54.840 0.004 0.000 0.803 360 L CB 1.518 43.576 42.059 -0.001 0.000 1.207 360 L HN 0.910 nan 8.230 nan 0.000 0.445 361 N N 2.363 121.050 118.700 -0.021 0.000 2.504 361 N HA 0.785 5.524 4.740 -0.001 0.000 0.268 361 N C -2.088 173.405 175.510 -0.030 0.000 1.184 361 N CA 0.159 53.197 53.050 -0.020 0.000 0.875 361 N CB 2.255 40.732 38.487 -0.015 0.000 1.630 361 N HN 0.997 nan 8.380 nan 0.000 0.486 362 A N 1.656 124.460 122.820 -0.026 0.000 2.586 362 A HA 0.544 4.864 4.320 -0.001 0.000 0.290 362 A C -1.817 175.750 177.584 -0.028 0.000 1.086 362 A CA -0.748 51.271 52.037 -0.030 0.000 0.665 362 A CB 1.134 20.113 19.000 -0.034 0.000 1.279 362 A HN 0.587 nan 8.150 nan 0.000 0.423 363 N N 0.728 119.412 118.700 -0.027 0.000 2.446 363 N HA 0.586 5.326 4.740 -0.001 0.000 0.265 363 N C -1.072 174.417 175.510 -0.034 0.000 0.975 363 N CA -0.059 52.976 53.050 -0.025 0.000 0.928 363 N CB 1.430 39.907 38.487 -0.015 0.000 1.160 363 N HN 0.722 nan 8.380 nan 0.000 0.495 364 I N -0.871 119.663 120.570 -0.060 0.000 3.002 364 I HA 0.689 4.859 4.170 -0.001 0.000 0.310 364 I C -0.471 175.574 176.117 -0.121 0.000 1.087 364 I CA -1.044 60.196 61.300 -0.099 0.000 1.017 364 I CB 1.763 39.664 38.000 -0.165 0.000 1.226 364 I HN 0.279 nan 8.210 nan 0.000 0.443 365 R N 2.488 122.913 120.500 -0.123 0.000 2.574 365 R HA 0.534 4.873 4.340 -0.001 0.000 0.288 365 R C -1.815 174.394 176.300 -0.153 0.000 1.004 365 R CA -0.774 55.293 56.100 -0.054 0.000 0.895 365 R CB 0.837 31.212 30.300 0.125 0.000 1.191 365 R HN 0.554 nan 8.270 nan 0.000 0.444 366 Y N 1.070 121.389 120.300 0.033 0.000 2.397 366 Y HA 0.349 4.899 4.550 0.000 0.000 0.335 366 Y C 0.461 176.265 175.900 -0.161 0.000 1.213 366 Y CA -0.181 57.853 58.100 -0.110 0.000 1.391 366 Y CB 1.401 39.755 38.460 -0.176 0.000 1.293 366 Y HN 0.355 nan 8.280 nan 0.000 0.557 367 V N 4.104 123.867 119.914 -0.252 0.000 2.655 367 V HA 0.324 4.444 4.120 -0.001 0.000 0.301 367 V C -1.221 174.585 176.094 -0.480 0.000 1.082 367 V CA -0.852 61.157 62.300 -0.486 0.000 0.899 367 V CB 1.650 32.877 31.823 -0.992 0.000 1.014 367 V HN 0.865 nan 8.190 nan 0.000 0.429 368 N N 3.625 122.133 118.700 -0.320 0.000 2.514 368 N HA 0.358 5.097 4.740 -0.001 0.000 0.277 368 N C 0.435 175.811 175.510 -0.222 0.000 1.126 368 N CA 0.950 53.841 53.050 -0.266 0.000 0.978 368 N CB 1.950 40.311 38.487 -0.209 0.000 1.106 368 N HN 0.698 nan 8.380 nan 0.000 0.461 369 T N 0.886 115.335 114.554 -0.175 0.000 2.975 369 T HA 0.322 4.672 4.350 -0.001 0.000 0.261 369 T C 0.953 175.590 174.700 -0.104 0.000 0.984 369 T CA 0.384 62.423 62.100 -0.101 0.000 0.911 369 T CB -0.423 68.434 68.868 -0.017 0.000 1.127 369 T HN 0.542 nan 8.240 nan 0.000 0.514 370 G N 1.241 109.936 108.800 -0.173 0.000 2.679 370 G HA2 0.207 4.166 3.960 -0.001 0.000 0.158 370 G HA3 0.207 4.166 3.960 -0.001 0.000 0.158 370 G C 1.076 175.913 174.900 -0.106 0.000 1.702 370 G CA 1.406 46.379 45.100 -0.211 0.000 1.041 370 G HN 0.488 nan 8.290 nan 0.000 0.507 371 T N -3.902 110.605 114.554 -0.079 0.000 3.041 371 T HA 0.633 4.983 4.350 -0.001 0.000 0.276 371 T C 0.348 175.054 174.700 0.011 0.000 0.948 371 T CA 0.791 62.885 62.100 -0.009 0.000 0.885 371 T CB 0.331 69.227 68.868 0.047 0.000 1.175 371 T HN 0.983 nan 8.240 nan 0.000 0.529 372 A N 2.295 125.116 122.820 0.001 0.000 2.384 372 A HA 0.951 5.271 4.320 -0.001 0.000 0.312 372 A C -3.082 174.541 177.584 0.065 0.000 1.113 372 A CA -2.108 49.995 52.037 0.110 0.000 0.779 372 A CB 1.740 20.894 19.000 0.256 0.000 1.307 372 A HN 0.199 nan 8.150 nan 0.000 0.436 373 P HA 0.671 nan 4.420 nan 0.000 0.289 373 P C -1.194 176.283 177.300 0.296 0.000 1.293 373 P CA -0.494 62.702 63.100 0.161 0.000 0.897 373 P CB 1.580 33.376 31.700 0.160 0.000 1.166 374 I N 1.667 122.312 120.570 0.125 0.000 2.404 374 I HA 0.252 4.421 4.170 -0.001 0.000 0.293 374 I C 0.481 176.709 176.117 0.184 0.000 0.992 374 I CA -0.673 60.758 61.300 0.217 0.000 1.149 374 I CB 1.649 39.625 38.000 -0.041 0.000 1.315 374 I HN 0.305 nan 8.210 nan 0.000 0.446 375 Y N 4.367 124.751 120.300 0.139 0.000 2.462 375 Y HA 0.053 4.603 4.550 -0.002 0.000 0.261 375 Y C 1.302 177.244 175.900 0.071 0.000 1.146 375 Y CA -0.155 58.006 58.100 0.102 0.000 1.283 375 Y CB -0.002 38.523 38.460 0.108 0.000 1.090 375 Y HN 0.677 nan 8.280 nan 0.000 0.526 376 N N -2.068 116.737 118.700 0.176 0.000 2.946 376 N HA 0.037 4.777 4.740 -0.001 0.000 0.245 376 N C -0.460 175.057 175.510 0.011 0.000 1.492 376 N CA -0.139 52.968 53.050 0.094 0.000 1.365 376 N CB 0.354 38.905 38.487 0.107 0.000 0.872 376 N HN -0.221 nan 8.380 nan 0.000 0.966 377 V N 2.868 122.795 119.914 0.020 0.000 2.458 377 V HA 0.075 4.195 4.120 -0.001 0.000 0.287 377 V C 0.373 176.400 176.094 -0.112 0.000 1.009 377 V CA -0.031 62.249 62.300 -0.033 0.000 1.091 377 V CB -0.633 31.200 31.823 0.016 0.000 0.960 377 V HN 0.213 nan 8.190 nan 0.000 0.476 378 L N 8.408 129.476 121.223 -0.259 0.000 2.468 378 L HA 0.461 4.800 4.340 -0.001 0.000 0.254 378 L C -1.918 174.740 176.870 -0.353 0.000 1.171 378 L CA -1.469 53.084 54.840 -0.479 0.000 0.809 378 L CB 0.002 41.521 42.059 -0.900 0.000 1.155 378 L HN 0.422 nan 8.230 nan 0.000 0.473 379 P HA 0.157 nan 4.420 nan 0.000 0.274 379 P C -0.931 176.325 177.300 -0.074 0.000 1.237 379 P CA -0.285 62.735 63.100 -0.134 0.000 0.793 379 P CB 0.365 32.016 31.700 -0.083 0.000 0.977 380 T N 0.497 115.064 114.554 0.021 0.000 3.477 380 T HA 0.189 4.539 4.350 -0.001 0.000 0.347 380 T C 0.252 174.997 174.700 0.074 0.000 1.567 380 T CA -0.120 62.006 62.100 0.043 0.000 1.169 380 T CB -0.772 68.118 68.868 0.037 0.000 1.196 380 T HN 0.290 nan 8.240 nan 0.000 0.768 381 T N 2.630 117.253 114.554 0.114 0.000 2.869 381 T HA 0.392 4.741 4.350 -0.001 0.000 0.295 381 T C 0.312 175.055 174.700 0.072 0.000 0.987 381 T CA -0.667 61.498 62.100 0.107 0.000 1.109 381 T CB 0.280 69.234 68.868 0.144 0.000 0.932 381 T HN 0.493 nan 8.240 nan 0.000 0.518 382 S N 5.481 121.213 115.700 0.053 0.000 2.449 382 S HA 0.520 4.990 4.470 -0.001 0.000 0.310 382 S C -0.410 174.207 174.600 0.028 0.000 1.096 382 S CA -1.015 57.207 58.200 0.037 0.000 1.095 382 S CB 1.040 64.259 63.200 0.033 0.000 1.007 382 S HN 0.807 nan 8.310 nan 0.000 0.474 383 L N 4.472 125.707 121.223 0.020 0.000 2.281 383 L HA 0.577 4.916 4.340 -0.001 0.000 0.285 383 L C -1.070 175.807 176.870 0.011 0.000 1.074 383 L CA -0.448 54.399 54.840 0.012 0.000 0.817 383 L CB 0.645 42.707 42.059 0.005 0.000 1.168 383 L HN 0.638 nan 8.230 nan 0.000 0.434 384 V N 5.341 125.261 119.914 0.010 0.000 2.919 384 V HA 0.481 4.601 4.120 -0.001 0.000 0.316 384 V C -0.626 175.471 176.094 0.004 0.000 1.077 384 V CA -0.821 61.483 62.300 0.008 0.000 0.977 384 V CB 2.098 33.926 31.823 0.008 0.000 1.039 384 V HN 0.600 nan 8.190 nan 0.000 0.441 385 L N 3.116 124.341 121.223 0.004 0.000 2.415 385 L HA 0.891 5.231 4.340 -0.001 0.000 0.268 385 L C 0.128 176.997 176.870 -0.002 0.000 0.984 385 L CA 1.303 56.144 54.840 0.001 0.000 0.853 385 L CB 0.537 42.599 42.059 0.005 0.000 1.215 385 L HN 1.112 nan 8.230 nan 0.000 0.419 386 G N 4.516 113.312 108.800 -0.006 0.000 2.545 386 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.240 386 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.240 386 G C 0.387 175.280 174.900 -0.012 0.000 1.172 386 G CA 0.125 45.218 45.100 -0.011 0.000 0.949 386 G HN 0.610 nan 8.290 nan 0.000 0.574 387 K N 1.214 121.605 120.400 -0.014 0.000 2.354 387 K HA 0.214 4.534 4.320 -0.001 0.000 0.194 387 K C 1.268 177.860 176.600 -0.012 0.000 1.038 387 K CA 1.119 57.397 56.287 -0.016 0.000 1.052 387 K CB 0.262 32.749 32.500 -0.022 0.000 0.861 387 K HN 0.594 nan 8.250 nan 0.000 0.535 388 N N -1.615 117.080 118.700 -0.008 0.000 1.839 388 N HA -0.081 4.658 4.740 -0.001 0.000 0.232 388 N C -0.558 174.952 175.510 -0.000 0.000 1.425 388 N CA -0.320 52.727 53.050 -0.006 0.000 0.743 388 N CB -0.034 38.446 38.487 -0.010 0.000 1.044 388 N HN -0.148 nan 8.380 nan 0.000 0.519 389 Q N 2.032 121.833 119.800 0.001 0.000 2.337 389 Q HA 0.118 4.458 4.340 -0.001 0.000 0.255 389 Q C -0.334 175.671 176.000 0.009 0.000 1.205 389 Q CA 0.328 56.135 55.803 0.007 0.000 0.902 389 Q CB 0.008 28.752 28.738 0.010 0.000 1.433 389 Q HN 0.423 nan 8.270 nan 0.000 0.471 390 T N -0.356 114.205 114.554 0.011 0.000 2.814 390 T HA 0.261 4.610 4.350 -0.001 0.000 0.297 390 T C 0.922 175.631 174.700 0.016 0.000 0.956 390 T CA -0.557 61.551 62.100 0.013 0.000 1.123 390 T CB 0.639 69.515 68.868 0.013 0.000 0.902 390 T HN 0.518 nan 8.240 nan 0.000 0.528 391 L N 1.913 123.145 121.223 0.015 0.000 2.477 391 L HA 0.516 4.855 4.340 -0.001 0.000 0.220 391 L C 1.247 178.127 176.870 0.017 0.000 1.106 391 L CA 0.176 55.027 54.840 0.018 0.000 0.851 391 L CB -0.382 41.687 42.059 0.015 0.000 0.994 391 L HN 1.031 nan 8.230 nan 0.000 0.462 392 A N -0.538 122.292 122.820 0.016 0.000 2.441 392 A HA 0.485 4.804 4.320 -0.001 0.000 0.295 392 A C -0.846 176.750 177.584 0.019 0.000 0.992 392 A CA -0.170 51.877 52.037 0.017 0.000 0.603 392 A CB 0.413 19.422 19.000 0.015 0.000 1.385 392 A HN -0.029 nan 8.150 nan 0.000 0.470 393 T N 0.137 114.704 114.554 0.022 0.000 3.038 393 T HA 0.591 4.940 4.350 -0.001 0.000 0.344 393 T C -0.262 174.459 174.700 0.034 0.000 1.054 393 T CA -0.056 62.061 62.100 0.028 0.000 1.092 393 T CB -0.382 68.502 68.868 0.027 0.000 1.031 393 T HN 1.470 nan 8.240 nan 0.000 0.482 394 I N 0.736 121.332 120.570 0.042 0.000 2.416 394 I HA 0.557 4.726 4.170 -0.001 0.000 0.288 394 I C 0.187 176.355 176.117 0.084 0.000 1.051 394 I CA -0.484 60.850 61.300 0.057 0.000 1.375 394 I CB 0.885 38.915 38.000 0.050 0.000 1.407 394 I HN 0.662 nan 8.210 nan 0.000 0.516 395 K N 5.753 126.193 120.400 0.067 0.000 3.200 395 K HA 0.485 4.804 4.320 -0.001 0.000 0.179 395 K C -0.447 176.166 176.600 0.023 0.000 1.153 395 K CA -0.424 55.889 56.287 0.044 0.000 0.836 395 K CB 0.941 33.456 32.500 0.026 0.000 1.051 395 K HN 0.903 nan 8.250 nan 0.000 0.594 396 A N 2.636 125.478 122.820 0.037 0.000 2.613 396 A HA 0.000 4.320 4.320 -0.001 0.000 0.230 396 A C -0.208 177.364 177.584 -0.019 0.000 1.051 396 A CA 0.441 52.487 52.037 0.015 0.000 0.754 396 A CB -0.010 19.005 19.000 0.026 0.000 0.979 396 A HN 0.645 nan 8.150 nan 0.000 0.510 397 K N 1.245 121.642 120.400 -0.005 0.000 2.591 397 K HA 0.056 4.375 4.320 -0.001 0.000 0.280 397 K C 0.061 176.648 176.600 -0.021 0.000 0.964 397 K CA 0.829 57.112 56.287 -0.007 0.000 1.014 397 K CB 0.162 32.665 32.500 0.005 0.000 0.877 397 K HN 0.707 nan 8.250 nan 0.000 0.502 398 E N 2.009 122.202 120.200 -0.013 0.000 2.319 398 E HA 0.182 4.531 4.350 -0.001 0.000 0.268 398 E C 0.210 176.811 176.600 0.002 0.000 1.050 398 E CA -0.172 56.220 56.400 -0.013 0.000 0.878 398 E CB 0.537 30.235 29.700 -0.002 0.000 1.066 398 E HN 0.553 nan 8.360 nan 0.000 0.406 399 N N 1.109 119.813 118.700 0.008 0.000 2.932 399 N HA -0.345 4.395 4.740 -0.001 0.000 0.227 399 N C 1.239 176.764 175.510 0.025 0.000 0.854 399 N CA 1.606 54.669 53.050 0.023 0.000 1.064 399 N CB -0.620 37.881 38.487 0.023 0.000 1.029 399 N HN 0.668 nan 8.380 nan 0.000 0.619 400 Q N 0.829 120.638 119.800 0.017 0.000 2.197 400 Q HA -0.139 4.200 4.340 -0.001 0.000 0.207 400 Q C 0.558 176.582 176.000 0.040 0.000 0.984 400 Q CA 1.430 57.247 55.803 0.024 0.000 0.869 400 Q CB 0.049 28.797 28.738 0.017 0.000 0.906 400 Q HN 0.562 nan 8.270 nan 0.000 0.426 401 L N -3.032 118.216 121.223 0.042 0.000 2.334 401 L HA 0.521 4.860 4.340 -0.001 0.000 0.273 401 L C 0.019 176.936 176.870 0.078 0.000 1.013 401 L CA -0.251 54.636 54.840 0.079 0.000 0.816 401 L CB 2.256 44.386 42.059 0.118 0.000 1.278 401 L HN -0.249 nan 8.230 nan 0.000 0.431 402 S N -0.463 115.288 115.700 0.085 0.000 2.603 402 S HA 0.235 4.704 4.470 -0.001 0.000 0.232 402 S C 0.418 175.060 174.600 0.071 0.000 1.016 402 S CA -0.227 58.021 58.200 0.081 0.000 0.976 402 S CB -0.033 63.209 63.200 0.070 0.000 0.921 402 S HN 0.795 nan 8.310 nan 0.000 0.516 403 Q N 1.022 120.872 119.800 0.084 0.000 2.524 403 Q HA 0.329 4.669 4.340 -0.001 0.000 0.246 403 Q C -0.585 175.419 176.000 0.006 0.000 1.063 403 Q CA 0.540 56.367 55.803 0.040 0.000 0.945 403 Q CB 0.237 29.001 28.738 0.044 0.000 1.292 403 Q HN 0.199 nan 8.270 nan 0.000 0.518 404 I N 0.921 121.435 120.570 -0.094 0.000 2.441 404 I HA 0.173 4.343 4.170 -0.001 0.000 0.295 404 I C -0.716 175.331 176.117 -0.117 0.000 0.994 404 I CA -0.551 60.614 61.300 -0.225 0.000 1.144 404 I CB 1.374 39.110 38.000 -0.440 0.000 1.314 404 I HN 0.399 nan 8.210 nan 0.000 0.445 405 L N 6.788 127.951 121.223 -0.100 0.000 2.512 405 L HA 0.639 4.978 4.340 -0.001 0.000 0.247 405 L C 0.595 177.407 176.870 -0.095 0.000 1.204 405 L CA -0.178 54.634 54.840 -0.048 0.000 1.153 405 L CB -0.916 41.099 42.059 -0.074 0.000 1.415 405 L HN 0.729 nan 8.230 nan 0.000 0.406 406 A N 3.941 126.706 122.820 -0.092 0.000 2.366 406 A HA 0.524 4.843 4.320 -0.001 0.000 0.250 406 A C -2.249 175.300 177.584 -0.059 0.000 1.099 406 A CA -0.846 51.151 52.037 -0.067 0.000 0.794 406 A CB -0.533 18.435 19.000 -0.054 0.000 1.056 406 A HN 0.525 nan 8.150 nan 0.000 0.499 407 P HA 0.017 nan 4.420 nan 0.000 0.271 407 P C -0.364 176.915 177.300 -0.035 0.000 1.233 407 P CA -0.180 62.891 63.100 -0.049 0.000 0.789 407 P CB 0.163 31.848 31.700 -0.026 0.000 0.951 408 N N 0.899 119.576 118.700 -0.040 0.000 2.759 408 N HA -0.261 4.479 4.740 -0.001 0.000 0.277 408 N C -0.458 175.070 175.510 0.030 0.000 0.982 408 N CA 1.161 54.207 53.050 -0.007 0.000 0.833 408 N CB -1.440 37.064 38.487 0.029 0.000 0.927 408 N HN 0.477 nan 8.380 nan 0.000 0.573 409 N N 0.577 119.279 118.700 0.004 0.000 2.697 409 N HA 0.118 4.858 4.740 -0.001 0.000 0.271 409 N C -1.386 174.162 175.510 0.064 0.000 1.149 409 N CA -0.462 52.636 53.050 0.080 0.000 0.939 409 N CB 0.460 38.960 38.487 0.022 0.000 1.534 409 N HN 0.017 nan 8.380 nan 0.000 0.556 410 Y N 2.914 123.187 120.300 -0.045 0.000 2.717 410 Y HA -0.019 4.530 4.550 -0.001 0.000 0.330 410 Y C 1.631 177.519 175.900 -0.019 0.000 1.217 410 Y CA 0.221 58.302 58.100 -0.032 0.000 1.506 410 Y CB 0.108 38.547 38.460 -0.035 0.000 1.268 410 Y HN 0.587 nan 8.280 nan 0.000 0.561 411 Y N 5.982 126.311 120.300 0.048 0.000 1.974 411 Y HA -0.152 4.398 4.550 -0.001 0.000 0.255 411 Y C -1.106 174.829 175.900 0.059 0.000 1.125 411 Y CA 0.859 58.985 58.100 0.044 0.000 1.085 411 Y CB -1.518 37.008 38.460 0.111 0.000 0.957 411 Y HN 0.413 nan 8.280 nan 0.000 0.484 412 P HA 0.026 nan 4.420 nan 0.000 0.259 412 P C -0.686 176.508 177.300 -0.176 0.000 1.635 412 P CA 0.406 63.286 63.100 -0.367 0.000 1.199 412 P CB -0.174 31.529 31.700 0.005 0.000 1.850 413 S N 4.048 119.615 115.700 -0.221 0.000 4.273 413 S HA -0.151 4.318 4.470 -0.001 0.000 0.512 413 S C 1.650 176.199 174.600 -0.086 0.000 1.063 413 S CA 0.158 58.289 58.200 -0.116 0.000 0.904 413 S CB -0.009 63.118 63.200 -0.123 0.000 0.778 413 S HN 0.408 nan 8.310 nan 0.000 0.467 414 K N 2.784 123.133 120.400 -0.084 0.000 2.304 414 K HA -0.225 4.095 4.320 -0.001 0.000 0.204 414 K C 1.112 177.652 176.600 -0.100 0.000 1.044 414 K CA 1.854 58.061 56.287 -0.134 0.000 0.932 414 K CB -0.586 31.790 32.500 -0.207 0.000 0.735 414 K HN 0.930 nan 8.250 nan 0.000 0.468 415 N N -0.065 118.586 118.700 -0.081 0.000 2.378 415 N HA 0.124 4.864 4.740 -0.001 0.000 0.243 415 N C 0.217 175.691 175.510 -0.060 0.000 1.137 415 N CA -0.075 52.935 53.050 -0.066 0.000 0.862 415 N CB 0.143 38.596 38.487 -0.057 0.000 1.116 415 N HN -0.002 nan 8.380 nan 0.000 0.499 416 L N -1.715 119.470 121.223 -0.064 0.000 2.218 416 L HA 0.763 5.103 4.340 -0.001 0.000 0.243 416 L C -0.703 176.142 176.870 -0.041 0.000 1.132 416 L CA -1.890 52.916 54.840 -0.055 0.000 1.052 416 L CB 0.892 42.906 42.059 -0.075 0.000 1.599 416 L HN 0.035 nan 8.230 nan 0.000 0.468 417 A N 0.708 123.511 122.820 -0.029 0.000 2.260 417 A HA 0.654 4.974 4.320 -0.001 0.000 0.312 417 A C -2.451 175.136 177.584 0.003 0.000 1.321 417 A CA -1.257 50.773 52.037 -0.012 0.000 0.928 417 A CB -0.333 18.665 19.000 -0.004 0.000 1.158 417 A HN 0.289 nan 8.150 nan 0.000 0.542 418 P HA 0.064 nan 4.420 nan 0.000 0.264 418 P C 0.052 177.371 177.300 0.033 0.000 1.193 418 P CA 0.124 63.237 63.100 0.022 0.000 0.763 418 P CB 0.353 32.056 31.700 0.005 0.000 0.810 419 I N 1.826 122.433 120.570 0.062 0.000 2.872 419 I HA 0.085 4.255 4.170 -0.001 0.000 0.291 419 I C 0.580 176.703 176.117 0.009 0.000 1.216 419 I CA 0.408 61.742 61.300 0.057 0.000 1.424 419 I CB 0.426 38.474 38.000 0.079 0.000 1.351 419 I HN 0.362 nan 8.210 nan 0.000 0.592 420 A N 7.675 130.502 122.820 0.011 0.000 2.318 420 A HA 0.602 4.921 4.320 -0.001 0.000 0.317 420 A C -0.392 177.190 177.584 -0.004 0.000 1.159 420 A CA -0.677 51.358 52.037 -0.003 0.000 0.799 420 A CB 0.851 19.852 19.000 0.001 0.000 1.194 420 A HN 0.645 nan 8.150 nan 0.000 0.479 421 L N 1.530 122.744 121.223 -0.015 0.000 2.483 421 L HA 0.002 4.342 4.340 -0.001 0.000 0.277 421 L C 0.493 177.362 176.870 -0.000 0.000 1.248 421 L CA -0.463 54.371 54.840 -0.010 0.000 0.825 421 L CB 0.090 42.139 42.059 -0.016 0.000 1.096 421 L HN 0.744 nan 8.230 nan 0.000 0.512 422 N N 2.019 120.722 118.700 0.005 0.000 3.054 422 N HA -0.195 4.545 4.740 -0.001 0.000 0.305 422 N C 0.110 175.624 175.510 0.006 0.000 1.084 422 N CA 1.053 54.108 53.050 0.008 0.000 0.842 422 N CB -0.170 38.322 38.487 0.008 0.000 0.953 422 N HN 0.718 nan 8.380 nan 0.000 0.625 423 A N 0.795 123.620 122.820 0.008 0.000 2.502 423 A HA 0.181 4.501 4.320 -0.001 0.000 0.253 423 A C 0.202 177.792 177.584 0.010 0.000 0.938 423 A CA -0.213 51.828 52.037 0.007 0.000 1.086 423 A CB 0.651 19.652 19.000 0.003 0.000 1.176 423 A HN 0.445 nan 8.150 nan 0.000 0.499 429 S N -0.815 114.891 115.700 0.011 0.000 2.684 429 S HA 0.317 4.786 4.470 -0.001 0.000 0.268 429 S C 0.240 174.846 174.600 0.010 0.000 1.075 429 S CA 0.495 58.701 58.200 0.009 0.000 1.184 429 S CB 0.241 63.446 63.200 0.009 0.000 1.129 429 S HN 1.850 nan 8.310 nan 0.000 0.630 430 T N 1.149 115.710 114.554 0.011 0.000 3.009 430 T HA 0.683 5.032 4.350 -0.001 0.000 0.346 430 T C -2.709 171.999 174.700 0.013 0.000 1.092 430 T CA -1.303 60.804 62.100 0.012 0.000 1.080 430 T CB 1.387 70.263 68.868 0.012 0.000 1.037 430 T HN -0.050 nan 8.240 nan 0.000 0.487 431 P HA 0.393 nan 4.420 nan 0.000 0.330 431 P C -0.386 176.923 177.300 0.016 0.000 1.377 431 P CA -0.554 62.554 63.100 0.013 0.000 0.793 431 P CB 0.401 32.109 31.700 0.013 0.000 1.813 432 I N -0.716 119.864 120.570 0.018 0.000 2.390 432 I HA 0.208 4.378 4.170 -0.001 0.000 0.283 432 I C -0.242 175.893 176.117 0.031 0.000 1.016 432 I CA -0.477 60.836 61.300 0.022 0.000 1.151 432 I CB 1.135 39.145 38.000 0.018 0.000 1.293 432 I HN 0.025 nan 8.210 nan 0.000 0.458 433 T N 7.322 121.896 114.554 0.033 0.000 2.884 433 T HA 0.472 4.821 4.350 -0.001 0.000 0.298 433 T C -0.251 174.483 174.700 0.057 0.000 0.998 433 T CA -0.083 62.042 62.100 0.042 0.000 1.124 433 T CB 0.873 69.762 68.868 0.035 0.000 0.931 433 T HN 0.551 nan 8.240 nan 0.000 0.531 434 M N 4.283 123.930 119.600 0.078 0.000 2.221 434 M HA 0.285 4.764 4.480 -0.001 0.000 0.259 434 M C -1.025 175.356 176.300 0.135 0.000 1.001 434 M CA -0.833 54.533 55.300 0.111 0.000 1.009 434 M CB 1.118 33.804 32.600 0.144 0.000 1.939 434 M HN 0.718 nan 8.290 nan 0.000 0.477 435 N N 2.517 121.293 118.700 0.126 0.000 2.408 435 N HA 0.127 4.866 4.740 -0.001 0.000 0.260 435 N C 0.472 176.108 175.510 0.209 0.000 1.242 435 N CA -0.299 52.836 53.050 0.142 0.000 0.959 435 N CB 0.365 38.920 38.487 0.114 0.000 1.201 435 N HN 0.600 nan 8.380 nan 0.000 0.511 436 Y N 0.635 120.971 120.300 0.061 0.000 2.102 436 Y HA -0.304 4.245 4.550 -0.001 0.000 0.280 436 Y C 1.439 177.425 175.900 0.142 0.000 1.178 436 Y CA 2.200 60.344 58.100 0.074 0.000 1.146 436 Y CB -0.664 37.809 38.460 0.022 0.000 0.968 436 Y HN 0.703 nan 8.280 nan 0.000 0.504 437 N N -0.728 118.060 118.700 0.146 0.000 2.104 437 N HA -0.233 4.507 4.740 -0.001 0.000 0.190 437 N C 1.757 177.291 175.510 0.040 0.000 1.024 437 N CA 1.345 54.427 53.050 0.053 0.000 0.853 437 N CB -0.219 38.317 38.487 0.082 0.000 1.008 437 N HN 0.569 nan 8.380 nan 0.000 0.424 438 Q N 0.469 120.321 119.800 0.087 0.000 1.990 438 Q HA -0.129 4.210 4.340 -0.001 0.000 0.200 438 Q C 1.858 177.924 176.000 0.110 0.000 0.980 438 Q CA 1.126 56.979 55.803 0.083 0.000 0.832 438 Q CB -0.363 28.432 28.738 0.094 0.000 0.897 438 Q HN 0.334 nan 8.270 nan 0.000 0.427 439 F N 1.536 121.491 119.950 0.007 0.000 2.225 439 F HA -0.260 4.267 4.527 -0.001 0.000 0.302 439 F C 1.816 177.628 175.800 0.020 0.000 1.068 439 F CA 0.893 58.915 58.000 0.036 0.000 1.327 439 F CB -0.085 38.942 39.000 0.045 0.000 1.043 439 F HN 0.058 nan 8.300 nan 0.000 0.506 440 L N 0.625 121.924 121.223 0.128 0.000 2.023 440 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 440 L C 2.298 179.140 176.870 -0.045 0.000 1.073 440 L CA 1.899 56.730 54.840 -0.014 0.000 0.745 440 L CB -1.112 40.856 42.059 -0.152 0.000 0.900 440 L HN 0.163 nan 8.230 nan 0.000 0.435 441 E N -0.612 119.570 120.200 -0.031 0.000 2.049 441 E HA -0.302 4.047 4.350 -0.001 0.000 0.198 441 E C 2.144 178.718 176.600 -0.043 0.000 1.007 441 E CA 1.615 57.992 56.400 -0.037 0.000 0.809 441 E CB -0.481 29.209 29.700 -0.017 0.000 0.749 441 E HN 0.375 nan 8.360 nan 0.000 0.450 442 L N 1.778 122.985 121.223 -0.027 0.000 2.034 442 L HA -0.296 4.044 4.340 -0.001 0.000 0.217 442 L C 2.255 179.155 176.870 0.050 0.000 1.077 442 L CA 2.183 57.029 54.840 0.010 0.000 0.769 442 L CB -0.514 41.523 42.059 -0.036 0.000 0.890 442 L HN 0.146 nan 8.230 nan 0.000 0.435 443 E N -0.723 119.453 120.200 -0.039 0.000 2.106 443 E HA -0.289 4.061 4.350 -0.001 0.000 0.192 443 E C 2.251 178.644 176.600 -0.345 0.000 0.984 443 E CA 1.189 57.311 56.400 -0.463 0.000 0.806 443 E CB -0.192 29.161 29.700 -0.579 0.000 0.750 443 E HN 0.535 nan 8.360 nan 0.000 0.458 444 K N -0.227 120.056 120.400 -0.196 0.000 2.280 444 K HA -0.119 4.200 4.320 -0.001 0.000 0.202 444 K C 1.644 178.163 176.600 -0.135 0.000 1.047 444 K CA 1.750 57.942 56.287 -0.159 0.000 0.942 444 K CB 0.075 32.511 32.500 -0.107 0.000 0.739 444 K HN 0.278 nan 8.250 nan 0.000 0.457 445 T N -4.051 110.441 114.554 -0.103 0.000 2.966 445 T HA 0.180 4.530 4.350 -0.001 0.000 0.254 445 T C 0.164 174.836 174.700 -0.047 0.000 0.961 445 T CA -0.341 61.714 62.100 -0.075 0.000 0.915 445 T CB 0.153 68.992 68.868 -0.049 0.000 1.186 445 T HN 0.150 nan 8.240 nan 0.000 0.505 446 K N 1.882 122.276 120.400 -0.009 0.000 3.035 446 K HA -0.207 4.112 4.320 -0.001 0.000 0.262 446 K C -0.300 176.339 176.600 0.066 0.000 1.024 446 K CA 1.058 57.401 56.287 0.093 0.000 0.748 446 K CB -1.674 30.878 32.500 0.087 0.000 1.247 446 K HN 0.910 nan 8.250 nan 0.000 0.482 447 Q N -0.445 119.374 119.800 0.032 0.000 2.340 447 Q HA 0.696 5.035 4.340 -0.001 0.000 0.276 447 Q C -1.125 174.879 176.000 0.007 0.000 1.048 447 Q CA -1.182 54.630 55.803 0.015 0.000 0.832 447 Q CB 1.694 30.429 28.738 -0.003 0.000 1.373 447 Q HN 0.132 nan 8.270 nan 0.000 0.409 448 L N 1.123 122.349 121.223 0.005 0.000 2.279 448 L HA 0.742 5.081 4.340 -0.001 0.000 0.262 448 L C -0.344 176.526 176.870 -0.001 0.000 1.019 448 L CA -1.167 53.673 54.840 0.000 0.000 0.823 448 L CB 2.248 44.306 42.059 -0.002 0.000 1.358 448 L HN 0.692 nan 8.230 nan 0.000 0.432 449 R N 0.761 121.261 120.500 -0.000 0.000 2.740 449 R HA 0.730 5.070 4.340 -0.001 0.000 0.282 449 R C -1.757 174.547 176.300 0.007 0.000 0.969 449 R CA -0.651 55.450 56.100 0.001 0.000 0.918 449 R CB 1.674 31.975 30.300 0.001 0.000 1.175 449 R HN 0.549 nan 8.270 nan 0.000 0.464 450 L N 3.569 124.799 121.223 0.011 0.000 2.377 450 L HA 0.386 4.726 4.340 -0.001 0.000 0.270 450 L C -1.296 175.595 176.870 0.034 0.000 0.991 450 L CA -0.815 54.038 54.840 0.022 0.000 0.851 450 L CB 1.983 44.056 42.059 0.023 0.000 1.218 450 L HN 0.589 nan 8.230 nan 0.000 0.420 451 D N 1.390 121.813 120.400 0.038 0.000 2.168 451 D HA 0.566 5.205 4.640 -0.001 0.000 0.246 451 D C -0.437 175.903 176.300 0.065 0.000 1.050 451 D CA 0.091 54.120 54.000 0.048 0.000 0.857 451 D CB 2.096 42.919 40.800 0.038 0.000 1.169 451 D HN 0.274 nan 8.370 nan 0.000 0.453 452 T N 1.141 115.743 114.554 0.080 0.000 2.861 452 T HA 0.370 4.720 4.350 -0.001 0.000 0.287 452 T C -0.319 174.442 174.700 0.103 0.000 1.003 452 T CA -1.002 61.158 62.100 0.100 0.000 0.977 452 T CB 1.375 70.316 68.868 0.121 0.000 0.996 452 T HN 0.375 nan 8.240 nan 0.000 0.448 453 D N 1.690 122.152 120.400 0.103 0.000 2.289 453 D HA 0.076 4.715 4.640 -0.001 0.000 0.266 453 D C 0.629 177.015 176.300 0.143 0.000 1.243 453 D CA -0.165 53.892 54.000 0.095 0.000 1.019 453 D CB 0.590 41.436 40.800 0.076 0.000 1.126 453 D HN 0.524 nan 8.370 nan 0.000 0.541 454 Q N -1.441 118.397 119.800 0.064 0.000 2.140 454 Q HA 0.197 4.536 4.340 -0.001 0.000 0.227 454 Q C -0.235 175.593 176.000 -0.287 0.000 0.798 454 Q CA -0.256 55.464 55.803 -0.138 0.000 0.987 454 Q CB 1.547 30.138 28.738 -0.244 0.000 1.161 454 Q HN 0.318 nan 8.270 nan 0.000 0.480 455 V N 2.186 122.125 119.914 0.043 0.000 2.400 455 V HA 0.068 4.188 4.120 -0.001 0.000 0.263 455 V C -0.860 175.443 176.094 0.347 0.000 1.026 455 V CA 0.389 62.748 62.300 0.099 0.000 1.077 455 V CB -0.684 31.190 31.823 0.085 0.000 1.054 455 V HN 0.142 nan 8.190 nan 0.000 0.477 456 Y N 4.522 124.867 120.300 0.076 0.000 2.496 456 Y HA 0.619 5.168 4.550 -0.002 0.000 0.331 456 Y C 1.285 177.297 175.900 0.186 0.000 1.140 456 Y CA -1.020 57.128 58.100 0.079 0.000 1.166 456 Y CB 1.545 40.009 38.460 0.007 0.000 1.249 456 Y HN 0.669 nan 8.280 nan 0.000 0.479 457 G N 0.977 109.974 108.800 0.328 0.000 2.744 457 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.257 457 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.257 457 G C -0.342 174.740 174.900 0.304 0.000 1.244 457 G CA -0.579 44.671 45.100 0.250 0.000 0.916 457 G HN 0.778 nan 8.290 nan 0.000 0.564 458 N N -1.541 117.254 118.700 0.158 0.000 2.235 458 N HA 0.159 4.899 4.740 -0.001 0.000 0.231 458 N C -0.001 175.524 175.510 0.026 0.000 1.330 458 N CA -0.064 53.011 53.050 0.043 0.000 0.898 458 N CB 0.561 39.040 38.487 -0.014 0.000 1.151 458 N HN 0.281 nan 8.380 nan 0.000 0.472 459 I N 0.102 120.553 120.570 -0.198 0.000 2.607 459 I HA 0.376 4.545 4.170 -0.001 0.000 0.305 459 I C -0.101 175.868 176.117 -0.247 0.000 0.995 459 I CA -0.939 60.201 61.300 -0.267 0.000 1.148 459 I CB 1.659 39.238 38.000 -0.701 0.000 1.323 459 I HN 0.443 nan 8.210 nan 0.000 0.461 460 A N 3.637 126.310 122.820 -0.244 0.000 2.252 460 A HA 0.589 4.908 4.320 -0.001 0.000 0.309 460 A C -0.167 177.322 177.584 -0.158 0.000 1.285 460 A CA -0.238 51.599 52.037 -0.334 0.000 0.900 460 A CB 0.743 19.305 19.000 -0.731 0.000 1.157 460 A HN 0.716 nan 8.150 nan 0.000 0.536 461 T N 1.072 115.544 114.554 -0.135 0.000 2.927 461 T HA 0.546 4.896 4.350 -0.001 0.000 0.286 461 T C -0.282 174.465 174.700 0.077 0.000 1.040 461 T CA -0.308 61.760 62.100 -0.053 0.000 1.010 461 T CB 0.544 69.340 68.868 -0.121 0.000 1.177 461 T HN 0.496 nan 8.240 nan 0.000 0.546 462 Y N 1.647 121.946 120.300 -0.002 0.000 2.262 462 Y HA 0.493 5.042 4.550 -0.000 0.000 0.368 462 Y C 0.524 176.443 175.900 0.032 0.000 1.352 462 Y CA -0.432 57.685 58.100 0.029 0.000 1.760 462 Y CB 0.544 39.029 38.460 0.042 0.000 1.627 462 Y HN 0.754 nan 8.280 nan 0.000 0.606 463 N N 1.238 119.607 118.700 -0.551 0.000 3.304 463 N HA 0.027 4.766 4.740 -0.001 0.000 0.187 463 N C 0.168 175.585 175.510 -0.155 0.000 1.482 463 N CA -0.015 52.910 53.050 -0.209 0.000 0.785 463 N CB -0.716 37.698 38.487 -0.121 0.000 1.619 463 N HN 0.588 nan 8.380 nan 0.000 0.624 464 F N 0.045 119.823 119.950 -0.286 0.000 2.079 464 F HA -0.338 4.188 4.527 -0.002 0.000 0.296 464 F C 1.551 177.296 175.800 -0.092 0.000 1.084 464 F CA 1.017 58.974 58.000 -0.072 0.000 1.236 464 F CB -0.363 38.719 39.000 0.137 0.000 0.984 464 F HN 0.247 nan 8.300 nan 0.000 0.488 465 E N 2.146 122.248 120.200 -0.163 0.000 2.110 465 E HA -0.289 4.061 4.350 -0.001 0.000 0.225 465 E C 1.178 177.689 176.600 -0.149 0.000 1.063 465 E CA 2.365 58.574 56.400 -0.318 0.000 0.906 465 E CB -0.869 28.693 29.700 -0.231 0.000 0.795 465 E HN 0.775 nan 8.360 nan 0.000 0.479 466 N N -1.404 117.232 118.700 -0.107 0.000 2.351 466 N HA 0.227 4.966 4.740 -0.001 0.000 0.254 466 N C 0.236 175.688 175.510 -0.096 0.000 1.241 466 N CA 0.531 53.532 53.050 -0.082 0.000 0.883 466 N CB 0.710 39.158 38.487 -0.064 0.000 1.202 466 N HN 0.173 nan 8.380 nan 0.000 0.512 467 G N 1.010 109.707 108.800 -0.171 0.000 2.357 467 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.282 467 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.282 467 G C -0.286 174.497 174.900 -0.195 0.000 0.910 467 G CA 0.443 45.380 45.100 -0.273 0.000 1.267 467 G HN 0.712 nan 8.290 nan 0.000 0.476 468 R N -0.483 119.860 120.500 -0.261 0.000 2.803 468 R HA 0.616 4.955 4.340 -0.001 0.000 0.276 468 R C -0.418 175.836 176.300 -0.078 0.000 0.978 468 R CA -0.921 55.116 56.100 -0.105 0.000 0.939 468 R CB 1.701 31.959 30.300 -0.070 0.000 1.179 468 R HN 0.103 nan 8.270 nan 0.000 0.472 469 V N 4.450 124.372 119.914 0.013 0.000 2.334 469 V HA 0.380 4.500 4.120 -0.001 0.000 0.267 469 V C 0.188 176.268 176.094 -0.024 0.000 1.040 469 V CA -0.331 61.992 62.300 0.038 0.000 0.866 469 V CB 0.839 32.715 31.823 0.089 0.000 1.019 469 V HN 0.661 nan 8.190 nan 0.000 0.468 470 R N 3.562 124.027 120.500 -0.057 0.000 2.832 470 R HA 0.744 5.084 4.340 -0.001 0.000 0.271 470 R C -1.383 174.832 176.300 -0.142 0.000 0.996 470 R CA -0.662 55.388 56.100 -0.083 0.000 0.977 470 R CB 2.194 32.456 30.300 -0.064 0.000 1.168 470 R HN 0.434 nan 8.270 nan 0.000 0.482 471 V N 3.060 122.891 119.914 -0.139 0.000 2.288 471 V HA 0.113 4.232 4.120 -0.001 0.000 0.266 471 V C -0.470 175.556 176.094 -0.114 0.000 1.048 471 V CA -0.643 61.559 62.300 -0.163 0.000 0.842 471 V CB 0.708 32.456 31.823 -0.126 0.000 1.064 471 V HN 0.730 nan 8.190 nan 0.000 0.472 472 D N 3.676 123.995 120.400 -0.135 0.000 2.338 472 D HA 0.082 4.721 4.640 -0.001 0.000 0.255 472 D C 1.622 177.858 176.300 -0.107 0.000 1.237 472 D CA 0.329 54.258 54.000 -0.119 0.000 0.883 472 D CB 1.512 42.225 40.800 -0.146 0.000 1.087 472 D HN 0.671 nan 8.370 nan 0.000 0.485 473 T N 0.361 114.870 114.554 -0.076 0.000 3.025 473 T HA -0.033 4.316 4.350 -0.001 0.000 0.270 473 T C 1.746 176.404 174.700 -0.070 0.000 1.126 473 T CA 0.563 62.628 62.100 -0.058 0.000 1.105 473 T CB -0.127 68.717 68.868 -0.039 0.000 0.884 473 T HN 0.375 nan 8.240 nan 0.000 0.522 474 G N 0.188 108.933 108.800 -0.091 0.000 2.777 474 G HA2 0.284 4.244 3.960 -0.001 0.000 0.211 474 G HA3 0.284 4.244 3.960 -0.001 0.000 0.211 474 G C 0.333 175.157 174.900 -0.127 0.000 1.149 474 G CA -0.305 44.736 45.100 -0.099 0.000 0.785 474 G HN 0.523 nan 8.290 nan 0.000 0.536 475 S N 0.653 116.257 115.700 -0.159 0.000 2.733 475 S HA 0.393 4.863 4.470 -0.001 0.000 0.307 475 S C -1.058 173.396 174.600 -0.243 0.000 1.127 475 S CA -0.830 57.242 58.200 -0.213 0.000 1.097 475 S CB 1.425 64.457 63.200 -0.280 0.000 1.003 475 S HN 0.304 nan 8.310 nan 0.000 0.477 476 N N 1.491 120.080 118.700 -0.185 0.000 2.321 476 N HA 0.241 4.980 4.740 -0.001 0.000 0.299 476 N C 0.463 175.903 175.510 -0.116 0.000 1.048 476 N CA -0.732 52.236 53.050 -0.136 0.000 0.836 476 N CB 0.877 39.355 38.487 -0.015 0.000 1.269 476 N HN 0.571 nan 8.380 nan 0.000 0.486 477 W N 1.931 123.236 121.300 0.009 0.000 2.290 477 W HA -0.193 4.466 4.660 -0.001 0.000 0.311 477 W C 2.252 178.744 176.519 -0.045 0.000 1.238 477 W CA 0.974 58.315 57.345 -0.007 0.000 1.255 477 W CB -0.666 28.785 29.460 -0.013 0.000 1.145 477 W HN 0.521 nan 8.180 nan 0.000 0.506 478 S N -0.056 115.739 115.700 0.157 0.000 2.461 478 S HA -0.240 4.229 4.470 -0.001 0.000 0.246 478 S C 1.380 176.003 174.600 0.038 0.000 1.007 478 S CA 1.799 60.036 58.200 0.063 0.000 0.976 478 S CB -0.334 62.891 63.200 0.042 0.000 0.763 478 S HN 0.482 nan 8.310 nan 0.000 0.508 479 E N -0.011 120.203 120.200 0.022 0.000 2.094 479 E HA 0.069 4.419 4.350 -0.001 0.000 0.193 479 E C 0.105 176.706 176.600 0.002 0.000 0.950 479 E CA 0.488 56.883 56.400 -0.008 0.000 0.842 479 E CB 0.247 29.919 29.700 -0.047 0.000 0.816 479 E HN 0.161 nan 8.360 nan 0.000 0.465 480 V N 2.724 122.634 119.914 -0.006 0.000 2.154 480 V HA 0.179 4.298 4.120 -0.001 0.000 0.265 480 V C 0.332 176.511 176.094 0.141 0.000 1.293 480 V CA 0.268 62.577 62.300 0.015 0.000 1.205 480 V CB 0.519 32.299 31.823 -0.072 0.000 1.306 480 V HN 0.242 nan 8.190 nan 0.000 0.479 481 L N 2.356 123.668 121.223 0.148 0.000 2.481 481 L HA 0.260 4.600 4.340 -0.001 0.000 0.253 481 L C -1.277 175.658 176.870 0.107 0.000 1.071 481 L CA 0.428 55.394 54.840 0.210 0.000 1.189 481 L CB 0.891 43.099 42.059 0.249 0.000 2.356 481 L HN 0.353 nan 8.230 nan 0.000 0.545 482 P HA -0.151 nan 4.420 nan 0.000 0.215 482 P C 0.970 178.288 177.300 0.030 0.000 1.153 482 P CA 1.268 64.394 63.100 0.044 0.000 0.853 482 P CB 0.051 31.770 31.700 0.032 0.000 0.788 483 Q N -0.489 119.329 119.800 0.029 0.000 2.062 483 Q HA -0.198 4.142 4.340 -0.001 0.000 0.209 483 Q C 2.149 178.150 176.000 0.001 0.000 0.996 483 Q CA 1.562 57.375 55.803 0.017 0.000 0.859 483 Q CB -1.615 27.137 28.738 0.023 0.000 0.920 483 Q HN 0.283 nan 8.270 nan 0.000 0.415 484 I N 1.404 121.968 120.570 -0.009 0.000 2.113 484 I HA -0.315 3.854 4.170 -0.001 0.000 0.242 484 I C 2.366 178.426 176.117 -0.094 0.000 1.064 484 I CA 1.684 62.935 61.300 -0.082 0.000 1.320 484 I CB -0.713 37.175 38.000 -0.187 0.000 1.028 484 I HN 0.298 nan 8.210 nan 0.000 0.406 485 Q N -0.232 119.536 119.800 -0.053 0.000 2.369 485 Q HA -0.118 4.221 4.340 -0.001 0.000 0.206 485 Q C 1.314 177.315 176.000 0.003 0.000 0.963 485 Q CA 0.741 56.535 55.803 -0.016 0.000 0.894 485 Q CB -0.044 28.714 28.738 0.034 0.000 0.965 485 Q HN 0.518 nan 8.270 nan 0.000 0.475 486 E N 0.222 120.422 120.200 0.000 0.000 2.481 486 E HA 0.013 4.362 4.350 -0.001 0.000 0.198 486 E C 0.581 177.181 176.600 -0.000 0.000 1.027 486 E CA 0.535 56.938 56.400 0.006 0.000 0.900 486 E CB 1.064 30.769 29.700 0.009 0.000 0.993 486 E HN 0.310 nan 8.360 nan 0.000 0.482 487 T N -1.731 112.817 114.554 -0.010 0.000 3.967 487 T HA 0.236 4.585 4.350 -0.001 0.000 0.262 487 T C 0.032 174.718 174.700 -0.022 0.000 0.966 487 T CA -0.344 61.749 62.100 -0.010 0.000 1.169 487 T CB -0.169 68.697 68.868 -0.003 0.000 1.038 487 T HN 0.009 nan 8.240 nan 0.000 0.541 488 T N -1.639 112.899 114.554 -0.027 0.000 2.665 488 T HA 0.829 5.178 4.350 -0.001 0.000 0.303 488 T C -1.337 173.349 174.700 -0.022 0.000 1.334 488 T CA -0.579 61.498 62.100 -0.040 0.000 1.011 488 T CB 1.370 70.189 68.868 -0.082 0.000 1.573 488 T HN 0.799 nan 8.240 nan 0.000 0.492 489 A N 0.812 123.617 122.820 -0.025 0.000 2.331 489 A HA 0.809 5.128 4.320 -0.001 0.000 0.320 489 A C -0.125 177.464 177.584 0.007 0.000 1.138 489 A CA -0.853 51.184 52.037 0.001 0.000 0.790 489 A CB 1.126 20.123 19.000 -0.004 0.000 1.206 489 A HN 0.826 nan 8.150 nan 0.000 0.470 490 R N 2.977 123.503 120.500 0.044 0.000 2.346 490 R HA 0.641 4.980 4.340 -0.001 0.000 0.311 490 R C -1.577 174.759 176.300 0.061 0.000 0.983 490 R CA -0.309 55.824 56.100 0.055 0.000 0.880 490 R CB 0.522 30.871 30.300 0.082 0.000 1.100 490 R HN 0.716 nan 8.270 nan 0.000 0.453 491 I N 5.912 126.531 120.570 0.082 0.000 2.478 491 I HA 0.293 4.462 4.170 -0.001 0.000 0.287 491 I C -0.305 175.898 176.117 0.143 0.000 1.042 491 I CA -0.881 60.484 61.300 0.108 0.000 1.067 491 I CB 2.068 40.206 38.000 0.229 0.000 1.233 491 I HN 0.374 nan 8.210 nan 0.000 0.431 492 I N 6.749 127.259 120.570 -0.100 0.000 2.306 492 I HA 0.295 4.465 4.170 -0.001 0.000 0.288 492 I C -0.515 175.471 176.117 -0.218 0.000 1.036 492 I CA -0.234 60.950 61.300 -0.194 0.000 1.221 492 I CB 0.495 38.194 38.000 -0.503 0.000 1.385 492 I HN 0.354 nan 8.210 nan 0.000 0.472 493 F N 7.821 127.501 119.950 -0.449 0.000 2.538 493 F HA 0.528 5.055 4.527 -0.001 0.000 0.325 493 F C -0.127 175.433 175.800 -0.401 0.000 1.066 493 F CA -0.996 56.590 58.000 -0.690 0.000 0.946 493 F CB 1.616 39.659 39.000 -1.595 0.000 1.199 493 F HN 0.527 nan 8.300 nan 0.000 0.473 494 N N 2.702 120.644 118.700 -1.264 0.000 2.752 494 N HA 0.261 5.001 4.740 -0.001 0.000 0.260 494 N C -0.166 174.714 175.510 -1.051 0.000 1.562 494 N CA -0.217 52.313 53.050 -0.867 0.000 0.788 494 N CB 0.653 38.906 38.487 -0.391 0.000 1.192 494 N HN 0.768 nan 8.380 nan 0.000 0.503 495 G N 1.278 109.188 108.800 -1.485 0.000 2.742 495 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.204 495 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.204 495 G C 1.155 176.078 174.900 0.039 0.000 1.126 495 G CA -0.069 44.664 45.100 -0.610 0.000 0.829 495 G HN 0.301 nan 8.290 nan 0.000 0.574 496 K N -0.039 120.411 120.400 0.084 0.000 2.218 496 K HA -0.011 4.308 4.320 -0.001 0.000 0.205 496 K C 0.304 176.946 176.600 0.071 0.000 1.046 496 K CA 1.342 57.729 56.287 0.166 0.000 0.933 496 K CB 0.042 32.636 32.500 0.157 0.000 0.728 496 K HN 0.271 nan 8.250 nan 0.000 0.454 497 D N -2.574 117.819 120.400 -0.013 0.000 3.734 497 D HA 0.106 4.746 4.640 -0.001 0.000 0.350 497 D C -0.110 176.131 176.300 -0.098 0.000 1.511 497 D CA -0.561 53.422 54.000 -0.028 0.000 0.956 497 D CB 0.394 41.185 40.800 -0.015 0.000 1.470 497 D HN -0.243 nan 8.370 nan 0.000 0.598 498 L N 0.569 121.722 121.223 -0.116 0.000 2.693 498 L HA 0.267 4.607 4.340 -0.001 0.000 0.235 498 L C -0.189 176.606 176.870 -0.125 0.000 1.127 498 L CA 0.240 54.986 54.840 -0.156 0.000 0.914 498 L CB -1.177 40.730 42.059 -0.253 0.000 1.193 498 L HN 0.086 nan 8.230 nan 0.000 0.502 499 N N 1.175 119.810 118.700 -0.107 0.000 2.408 499 N HA 0.237 4.977 4.740 -0.001 0.000 0.257 499 N C -0.108 175.326 175.510 -0.127 0.000 1.064 499 N CA -0.176 52.816 53.050 -0.098 0.000 0.952 499 N CB 0.764 39.220 38.487 -0.052 0.000 1.093 499 N HN 0.058 nan 8.380 nan 0.000 0.490 500 L N 1.964 123.097 121.223 -0.151 0.000 2.700 500 L HA -0.019 4.320 4.340 -0.001 0.000 0.276 500 L C -0.198 176.597 176.870 -0.126 0.000 1.200 500 L CA 0.061 54.791 54.840 -0.183 0.000 0.951 500 L CB -0.562 41.370 42.059 -0.211 0.000 1.226 500 L HN 0.192 nan 8.230 nan 0.000 0.489 501 V N 3.765 123.629 119.914 -0.084 0.000 2.427 501 V HA 0.296 4.415 4.120 -0.001 0.000 0.286 501 V C 0.223 176.381 176.094 0.107 0.000 1.034 501 V CA -0.586 61.738 62.300 0.040 0.000 0.893 501 V CB 1.812 33.726 31.823 0.152 0.000 0.982 501 V HN 0.743 nan 8.190 nan 0.000 0.452 502 E N 4.179 124.421 120.200 0.069 0.000 2.212 502 E HA 0.725 5.074 4.350 -0.001 0.000 0.270 502 E C -1.019 175.642 176.600 0.101 0.000 0.956 502 E CA -0.858 55.589 56.400 0.078 0.000 0.825 502 E CB 1.199 30.910 29.700 0.018 0.000 1.167 502 E HN 0.487 nan 8.360 nan 0.000 0.400 503 R N 2.209 122.768 120.500 0.098 0.000 2.604 503 R HA 0.355 4.695 4.340 -0.001 0.000 0.261 503 R C -1.280 175.017 176.300 -0.004 0.000 1.080 503 R CA -0.673 55.424 56.100 -0.005 0.000 0.917 503 R CB 1.625 31.693 30.300 -0.387 0.000 1.252 503 R HN 0.630 nan 8.270 nan 0.000 0.456 504 R N 1.656 122.134 120.500 -0.038 0.000 2.599 504 R HA 0.589 4.928 4.340 -0.001 0.000 0.295 504 R C -0.288 175.937 176.300 -0.124 0.000 0.963 504 R CA -0.950 55.091 56.100 -0.098 0.000 0.883 504 R CB 1.641 31.817 30.300 -0.207 0.000 1.171 504 R HN 0.285 nan 8.270 nan 0.000 0.450 505 I N 1.450 121.959 120.570 -0.101 0.000 2.525 505 I HA 0.265 4.435 4.170 -0.001 0.000 0.301 505 I C 0.436 176.508 176.117 -0.076 0.000 0.992 505 I CA -0.414 60.822 61.300 -0.106 0.000 1.162 505 I CB 1.876 39.813 38.000 -0.106 0.000 1.332 505 I HN 0.690 nan 8.210 nan 0.000 0.458 506 A N 4.987 127.768 122.820 -0.064 0.000 2.993 506 A HA 0.544 4.863 4.320 -0.001 0.000 0.281 506 A C 0.752 178.320 177.584 -0.027 0.000 1.847 506 A CA 0.099 52.116 52.037 -0.033 0.000 1.470 506 A CB -1.319 17.677 19.000 -0.006 0.000 1.028 506 A HN 0.805 nan 8.150 nan 0.000 0.604 507 A N 1.385 124.188 122.820 -0.029 0.000 2.260 507 A HA 0.669 4.988 4.320 -0.001 0.000 0.278 507 A C 0.570 178.146 177.584 -0.014 0.000 1.269 507 A CA 0.373 52.396 52.037 -0.022 0.000 0.824 507 A CB 0.073 19.061 19.000 -0.021 0.000 1.238 507 A HN 1.851 nan 8.150 nan 0.000 0.507 508 V N -1.887 118.019 119.914 -0.013 0.000 2.962 508 V HA 0.702 4.822 4.120 -0.001 0.000 0.313 508 V C -0.734 175.354 176.094 -0.008 0.000 1.099 508 V CA -1.050 61.246 62.300 -0.008 0.000 0.971 508 V CB 1.972 33.791 31.823 -0.007 0.000 1.028 508 V HN 0.869 nan 8.190 nan 0.000 0.430 509 N N 3.074 121.771 118.700 -0.005 0.000 2.314 509 N HA 0.551 5.291 4.740 -0.001 0.000 0.294 509 N C -1.997 173.510 175.510 -0.005 0.000 1.029 509 N CA -1.909 51.138 53.050 -0.005 0.000 0.845 509 N CB 3.095 41.581 38.487 -0.003 0.000 1.321 509 N HN 0.569 nan 8.380 nan 0.000 0.481 510 P HA -0.008 nan 4.420 nan 0.000 0.218 510 P C 0.810 178.108 177.300 -0.004 0.000 1.152 510 P CA 0.853 63.949 63.100 -0.006 0.000 0.826 510 P CB 0.430 32.125 31.700 -0.009 0.000 0.790 511 S N -0.489 115.208 115.700 -0.004 0.000 2.507 511 S HA -0.060 4.409 4.470 -0.001 0.000 0.235 511 S C 0.843 175.443 174.600 -0.001 0.000 0.988 511 S CA 0.649 58.847 58.200 -0.003 0.000 0.944 511 S CB -0.710 62.488 63.200 -0.004 0.000 0.762 511 S HN 0.221 nan 8.310 nan 0.000 0.526 512 D N 0.794 121.194 120.400 -0.000 0.000 2.392 512 D HA 0.299 4.939 4.640 -0.001 0.000 0.228 512 D C -1.996 174.307 176.300 0.004 0.000 1.074 512 D CA -2.561 51.440 54.000 0.002 0.000 0.838 512 D CB 1.543 42.345 40.800 0.003 0.000 1.067 512 D HN -0.113 nan 8.370 nan 0.000 0.511 513 P HA -0.203 nan 4.420 nan 0.000 0.211 513 P C 1.676 178.982 177.300 0.009 0.000 1.181 513 P CA 0.602 63.706 63.100 0.006 0.000 0.929 513 P CB 0.137 31.841 31.700 0.006 0.000 0.789 514 L N 0.352 121.581 121.223 0.011 0.000 1.991 514 L HA -0.221 4.118 4.340 -0.001 0.000 0.221 514 L C 1.744 178.623 176.870 0.015 0.000 1.079 514 L CA 2.086 56.935 54.840 0.015 0.000 0.778 514 L CB -1.745 40.324 42.059 0.017 0.000 0.893 514 L HN -0.127 nan 8.230 nan 0.000 0.437 515 E N -0.854 119.354 120.200 0.012 0.000 2.527 515 E HA -0.084 4.265 4.350 -0.001 0.000 0.204 515 E C 1.407 178.012 176.600 0.008 0.000 1.132 515 E CA 0.930 57.336 56.400 0.011 0.000 0.905 515 E CB -0.406 29.298 29.700 0.007 0.000 0.875 515 E HN 0.630 nan 8.360 nan 0.000 0.548 516 T N -2.331 112.228 114.554 0.009 0.000 2.990 516 T HA 0.025 4.374 4.350 -0.001 0.000 0.250 516 T C 1.463 176.169 174.700 0.011 0.000 1.041 516 T CA 0.360 62.464 62.100 0.007 0.000 1.010 516 T CB 0.312 69.183 68.868 0.006 0.000 1.003 516 T HN 0.078 nan 8.240 nan 0.000 0.499 517 T N 2.484 117.047 114.554 0.015 0.000 3.098 517 T HA 0.048 4.398 4.350 -0.001 0.000 0.266 517 T C 0.770 175.483 174.700 0.021 0.000 1.145 517 T CA 0.672 62.783 62.100 0.019 0.000 1.092 517 T CB -0.104 68.778 68.868 0.023 0.000 0.908 517 T HN 0.431 nan 8.240 nan 0.000 0.526 518 K N 2.006 122.417 120.400 0.017 0.000 2.168 518 K HA 0.280 4.599 4.320 -0.001 0.000 0.258 518 K C -2.823 173.784 176.600 0.012 0.000 1.010 518 K CA -1.873 54.424 56.287 0.017 0.000 0.929 518 K CB 0.067 32.574 32.500 0.013 0.000 0.998 518 K HN -0.053 nan 8.250 nan 0.000 0.479 519 P HA 0.024 nan 4.420 nan 0.000 0.276 519 P C -0.965 176.334 177.300 -0.003 0.000 1.243 519 P CA -0.100 63.002 63.100 0.004 0.000 0.768 519 P CB 0.437 32.139 31.700 0.003 0.000 0.856 520 D N 2.678 123.075 120.400 -0.005 0.000 2.525 520 D HA 0.007 4.647 4.640 -0.001 0.000 0.235 520 D C 0.084 176.375 176.300 -0.016 0.000 1.137 520 D CA 0.911 54.905 54.000 -0.010 0.000 0.868 520 D CB 0.452 41.246 40.800 -0.009 0.000 1.180 520 D HN 0.200 nan 8.370 nan 0.000 0.465 521 M N 1.664 121.252 119.600 -0.020 0.000 2.456 521 M HA 0.229 4.709 4.480 -0.001 0.000 0.324 521 M C -0.587 175.696 176.300 -0.028 0.000 1.124 521 M CA -0.442 54.842 55.300 -0.027 0.000 0.959 521 M CB 1.958 34.539 32.600 -0.032 0.000 1.692 521 M HN 0.281 nan 8.290 nan 0.000 0.444 522 T N 2.128 116.664 114.554 -0.030 0.000 2.829 522 T HA 0.386 4.736 4.350 -0.001 0.000 0.280 522 T C 0.638 175.321 174.700 -0.028 0.000 0.999 522 T CA -0.924 61.159 62.100 -0.028 0.000 0.983 522 T CB 1.153 70.008 68.868 -0.023 0.000 0.968 522 T HN 0.751 nan 8.240 nan 0.000 0.446 523 L N 2.436 123.647 121.223 -0.020 0.000 2.051 523 L HA -0.053 4.286 4.340 -0.001 0.000 0.214 523 L C 2.443 179.296 176.870 -0.029 0.000 1.076 523 L CA 2.145 56.984 54.840 -0.001 0.000 0.758 523 L CB -0.833 41.254 42.059 0.045 0.000 0.890 523 L HN 0.946 nan 8.230 nan 0.000 0.433 524 K N -0.405 119.977 120.400 -0.030 0.000 1.965 524 K HA -0.303 4.016 4.320 -0.001 0.000 0.218 524 K C 2.115 178.689 176.600 -0.042 0.000 1.048 524 K CA 1.876 58.139 56.287 -0.040 0.000 0.960 524 K CB -0.453 32.038 32.500 -0.014 0.000 0.732 524 K HN 0.341 nan 8.250 nan 0.000 0.444 525 E N 0.277 120.460 120.200 -0.028 0.000 2.164 525 E HA -0.284 4.065 4.350 -0.001 0.000 0.206 525 E C 1.566 178.134 176.600 -0.053 0.000 1.032 525 E CA 1.966 58.347 56.400 -0.031 0.000 0.832 525 E CB -0.381 29.298 29.700 -0.035 0.000 0.742 525 E HN 0.474 nan 8.360 nan 0.000 0.460 526 A N 0.095 122.878 122.820 -0.062 0.000 1.841 526 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 526 A C 2.077 179.624 177.584 -0.060 0.000 1.199 526 A CA 1.820 53.811 52.037 -0.076 0.000 0.621 526 A CB -1.010 17.957 19.000 -0.055 0.000 0.835 526 A HN 0.321 nan 8.150 nan 0.000 0.445 527 L N -0.117 121.052 121.223 -0.089 0.000 2.556 527 L HA -0.177 4.162 4.340 -0.001 0.000 0.230 527 L C 2.246 179.164 176.870 0.080 0.000 1.163 527 L CA 1.703 56.462 54.840 -0.134 0.000 0.819 527 L CB -0.451 41.191 42.059 -0.695 0.000 0.939 527 L HN 0.394 nan 8.230 nan 0.000 0.452 528 K N -0.366 120.070 120.400 0.060 0.000 2.067 528 K HA 0.047 4.366 4.320 -0.001 0.000 0.203 528 K C 1.968 178.622 176.600 0.091 0.000 1.048 528 K CA 1.415 57.778 56.287 0.127 0.000 0.954 528 K CB -0.035 32.506 32.500 0.069 0.000 0.737 528 K HN 0.373 nan 8.250 nan 0.000 0.444 529 I N -2.041 118.519 120.570 -0.017 0.000 2.585 529 I HA 0.106 4.276 4.170 -0.001 0.000 0.254 529 I C 2.391 178.426 176.117 -0.138 0.000 1.129 529 I CA 0.634 61.882 61.300 -0.086 0.000 1.455 529 I CB -0.479 37.363 38.000 -0.263 0.000 1.111 529 I HN -0.117 nan 8.210 nan 0.000 0.433 530 A N 1.766 124.464 122.820 -0.205 0.000 1.883 530 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 530 A C 1.863 179.025 177.584 -0.703 0.000 1.186 530 A CA 2.130 53.873 52.037 -0.491 0.000 0.624 530 A CB -0.846 17.822 19.000 -0.553 0.000 0.822 530 A HN 0.562 nan 8.150 nan 0.000 0.444 531 F N -3.387 116.598 119.950 0.058 0.000 2.640 531 F HA 0.451 4.978 4.527 -0.001 0.000 0.285 531 F C 1.687 177.644 175.800 0.262 0.000 1.031 531 F CA 0.560 58.649 58.000 0.149 0.000 1.240 531 F CB 0.570 39.613 39.000 0.072 0.000 1.011 531 F HN 0.384 nan 8.300 nan 0.000 0.656 532 G N -0.008 109.057 108.800 0.441 0.000 2.200 532 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.145 532 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.145 532 G C -0.122 174.976 174.900 0.331 0.000 1.021 532 G CA -0.923 44.375 45.100 0.330 0.000 0.720 532 G HN 0.003 nan 8.290 nan 0.000 0.494 533 F N 2.546 122.638 119.950 0.236 0.000 2.595 533 F HA 0.363 4.889 4.527 -0.001 0.000 0.359 533 F C 1.172 177.033 175.800 0.103 0.000 1.147 533 F CA 0.582 58.695 58.000 0.189 0.000 1.341 533 F CB 0.579 39.619 39.000 0.067 0.000 1.104 533 F HN 0.418 nan 8.300 nan 0.000 0.603 534 N N 0.992 119.824 118.700 0.220 0.000 2.571 534 N HA 0.310 5.050 4.740 -0.001 0.000 0.273 534 N C -1.650 173.942 175.510 0.136 0.000 1.340 534 N CA -0.941 52.194 53.050 0.141 0.000 0.789 534 N CB 1.563 40.092 38.487 0.071 0.000 1.514 534 N HN 0.548 nan 8.380 nan 0.000 0.499 535 E N 0.184 120.446 120.200 0.102 0.000 2.546 535 E HA 0.272 4.622 4.350 -0.001 0.000 0.227 535 E C -1.758 174.883 176.600 0.069 0.000 1.009 535 E CA -1.513 54.942 56.400 0.092 0.000 0.813 535 E CB 1.308 31.059 29.700 0.084 0.000 1.269 535 E HN 0.454 nan 8.360 nan 0.000 0.432 536 P HA -0.130 nan 4.420 nan 0.000 0.211 536 P C 0.170 177.496 177.300 0.045 0.000 1.179 536 P CA 1.241 64.369 63.100 0.047 0.000 0.910 536 P CB 0.262 31.987 31.700 0.042 0.000 0.785 537 N N -2.286 116.443 118.700 0.048 0.000 2.338 537 N HA 0.304 5.044 4.740 -0.001 0.000 0.251 537 N C 0.369 175.908 175.510 0.047 0.000 1.199 537 N CA 0.464 53.539 53.050 0.042 0.000 0.879 537 N CB 0.862 39.371 38.487 0.037 0.000 1.159 537 N HN 0.149 nan 8.380 nan 0.000 0.514 538 G N 1.024 109.858 108.800 0.055 0.000 2.179 538 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.220 538 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.220 538 G C -0.429 174.513 174.900 0.070 0.000 0.990 538 G CA -0.568 44.566 45.100 0.058 0.000 0.646 538 G HN 0.383 nan 8.290 nan 0.000 0.517 539 N N 0.357 119.106 118.700 0.082 0.000 2.446 539 N HA 0.476 5.216 4.740 -0.001 0.000 0.265 539 N C -0.413 175.182 175.510 0.142 0.000 0.975 539 N CA -0.822 52.291 53.050 0.105 0.000 0.928 539 N CB 1.884 40.429 38.487 0.098 0.000 1.160 539 N HN 0.117 nan 8.380 nan 0.000 0.495 540 L N 3.939 125.263 121.223 0.167 0.000 2.574 540 L HA -0.018 4.322 4.340 -0.001 0.000 0.281 540 L C 0.368 177.448 176.870 0.350 0.000 1.212 540 L CA 0.572 55.551 54.840 0.230 0.000 1.082 540 L CB -0.922 41.252 42.059 0.191 0.000 1.362 540 L HN 0.565 nan 8.230 nan 0.000 0.451 541 Q N 2.977 122.964 119.800 0.312 0.000 2.385 541 Q HA 0.391 4.730 4.340 -0.001 0.000 0.262 541 Q C -1.397 174.696 176.000 0.154 0.000 1.050 541 Q CA -0.920 55.070 55.803 0.311 0.000 0.903 541 Q CB 1.405 30.258 28.738 0.192 0.000 1.325 541 Q HN 0.409 nan 8.270 nan 0.000 0.485 542 Y N 0.729 120.914 120.300 -0.192 0.000 2.426 542 Y HA 0.205 4.755 4.550 -0.001 0.000 0.325 542 Y C -0.618 175.182 175.900 -0.166 0.000 0.989 542 Y CA -0.419 57.337 58.100 -0.573 0.000 1.284 542 Y CB 0.879 38.599 38.460 -1.233 0.000 1.104 542 Y HN 0.949 nan 8.280 nan 0.000 0.481 543 Q N 3.872 123.340 119.800 -0.553 0.000 2.426 543 Q HA -0.327 4.013 4.340 -0.001 0.000 0.254 543 Q C 1.037 176.955 176.000 -0.137 0.000 1.017 543 Q CA 1.421 56.997 55.803 -0.378 0.000 1.083 543 Q CB -1.348 27.063 28.738 -0.544 0.000 1.552 543 Q HN 1.238 nan 8.270 nan 0.000 0.532 544 G N -0.711 108.062 108.800 -0.046 0.000 3.330 544 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.197 544 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.197 544 G C -0.214 174.749 174.900 0.105 0.000 1.284 544 G CA -0.262 44.857 45.100 0.031 0.000 0.921 544 G HN 0.145 nan 8.290 nan 0.000 0.466 545 K N 1.770 122.282 120.400 0.187 0.000 2.382 545 K HA 0.358 4.677 4.320 -0.001 0.000 0.275 545 K C -0.730 176.094 176.600 0.373 0.000 1.009 545 K CA -0.099 56.359 56.287 0.285 0.000 0.970 545 K CB 0.989 33.758 32.500 0.449 0.000 0.934 545 K HN 0.316 nan 8.250 nan 0.000 0.479 546 D N 2.437 123.031 120.400 0.323 0.000 2.256 546 D HA -0.007 4.633 4.640 -0.001 0.000 0.250 546 D C 0.926 177.558 176.300 0.553 0.000 1.093 546 D CA -0.411 53.796 54.000 0.345 0.000 0.882 546 D CB 1.054 41.971 40.800 0.194 0.000 1.185 546 D HN 0.374 nan 8.370 nan 0.000 0.437 547 I N 3.562 124.486 120.570 0.589 0.000 2.597 547 I HA -0.283 3.887 4.170 -0.001 0.000 0.262 547 I C 1.938 178.509 176.117 0.756 0.000 1.194 547 I CA 2.005 63.724 61.300 0.697 0.000 1.437 547 I CB -0.424 37.852 38.000 0.459 0.000 1.096 547 I HN 0.532 nan 8.210 nan 0.000 0.451 548 T N -3.592 111.210 114.554 0.414 0.000 3.113 548 T HA 0.064 4.414 4.350 -0.001 0.000 0.256 548 T C 1.354 176.106 174.700 0.087 0.000 1.131 548 T CA 0.498 62.603 62.100 0.009 0.000 1.074 548 T CB -0.447 68.252 68.868 -0.281 0.000 0.944 548 T HN 0.510 nan 8.240 nan 0.000 0.516 549 E N 0.247 120.562 120.200 0.192 0.000 2.465 549 E HA 0.229 4.578 4.350 -0.001 0.000 0.191 549 E C -0.925 175.483 176.600 -0.320 0.000 1.053 549 E CA -0.109 56.214 56.400 -0.129 0.000 0.869 549 E CB 0.129 29.646 29.700 -0.306 0.000 0.977 549 E HN 0.557 nan 8.360 nan 0.000 0.483 550 F N 0.232 120.393 119.950 0.352 0.000 2.551 550 F HA 0.270 4.797 4.527 -0.001 0.000 0.316 550 F C 0.092 176.140 175.800 0.414 0.000 1.089 550 F CA -1.529 56.683 58.000 0.353 0.000 0.915 550 F CB 1.356 40.569 39.000 0.354 0.000 1.186 550 F HN -0.276 nan 8.300 nan 0.000 0.456 551 D N 1.311 121.979 120.400 0.447 0.000 2.256 551 D HA 0.328 4.967 4.640 -0.001 0.000 0.250 551 D C -1.247 175.200 176.300 0.245 0.000 1.093 551 D CA 0.040 54.256 54.000 0.360 0.000 0.882 551 D CB 0.582 41.522 40.800 0.233 0.000 1.185 551 D HN 0.170 nan 8.370 nan 0.000 0.437 552 F N 3.042 122.946 119.950 -0.076 0.000 2.391 552 F HA 0.377 4.903 4.527 -0.001 0.000 0.359 552 F C 0.321 175.773 175.800 -0.580 0.000 1.122 552 F CA -0.666 57.122 58.000 -0.354 0.000 1.120 552 F CB 0.790 39.541 39.000 -0.415 0.000 1.142 552 F HN 0.191 nan 8.300 nan 0.000 0.483 553 N N 4.713 123.115 118.700 -0.496 0.000 2.399 553 N HA 0.388 5.127 4.740 -0.001 0.000 0.280 553 N C -1.155 174.136 175.510 -0.365 0.000 1.008 553 N CA -0.297 52.530 53.050 -0.371 0.000 0.894 553 N CB 1.784 40.229 38.487 -0.069 0.000 1.273 553 N HN 0.189 nan 8.380 nan 0.000 0.486 554 F N 0.049 120.110 119.950 0.185 0.000 2.572 554 F HA 0.342 4.868 4.527 -0.001 0.000 0.342 554 F C 0.920 176.804 175.800 0.141 0.000 1.064 554 F CA -1.098 57.014 58.000 0.186 0.000 1.008 554 F CB 0.621 39.696 39.000 0.125 0.000 1.303 554 F HN 0.374 nan 8.300 nan 0.000 0.492 555 D N -1.113 119.472 120.400 0.309 0.000 2.388 555 D HA 0.182 4.821 4.640 -0.001 0.000 0.254 555 D C 0.875 177.207 176.300 0.054 0.000 1.111 555 D CA -0.612 53.405 54.000 0.028 0.000 0.993 555 D CB 0.510 41.266 40.800 -0.073 0.000 1.118 555 D HN 0.637 nan 8.370 nan 0.000 0.502 556 Q N -0.856 118.934 119.800 -0.017 0.000 2.156 556 Q HA -0.322 4.017 4.340 -0.001 0.000 0.211 556 Q C 1.564 177.573 176.000 0.015 0.000 0.995 556 Q CA 1.816 57.622 55.803 0.005 0.000 0.877 556 Q CB 0.065 28.790 28.738 -0.022 0.000 0.920 556 Q HN 0.501 nan 8.270 nan 0.000 0.416 557 Q N -0.509 119.296 119.800 0.008 0.000 1.896 557 Q HA -0.080 4.260 4.340 -0.001 0.000 0.205 557 Q C 2.250 178.253 176.000 0.005 0.000 0.978 557 Q CA 1.876 57.681 55.803 0.004 0.000 0.850 557 Q CB -1.009 27.731 28.738 0.002 0.000 0.908 557 Q HN 0.372 nan 8.270 nan 0.000 0.431 558 T N 1.665 116.231 114.554 0.021 0.000 2.755 558 T HA -0.226 4.124 4.350 -0.001 0.000 0.266 558 T C 1.965 176.597 174.700 -0.114 0.000 1.041 558 T CA 1.738 63.816 62.100 -0.037 0.000 1.147 558 T CB -0.374 68.524 68.868 0.050 0.000 0.847 558 T HN 0.341 nan 8.240 nan 0.000 0.478 559 S N 0.295 116.018 115.700 0.039 0.000 2.365 559 S HA -0.215 4.254 4.470 -0.001 0.000 0.221 559 S C 2.170 176.758 174.600 -0.019 0.000 1.037 559 S CA 1.436 59.684 58.200 0.080 0.000 1.060 559 S CB -0.340 62.944 63.200 0.141 0.000 0.974 559 S HN 0.431 nan 8.310 nan 0.000 0.427 560 Q N 1.347 121.140 119.800 -0.012 0.000 2.002 560 Q HA -0.133 4.206 4.340 -0.001 0.000 0.204 560 Q C 2.227 178.191 176.000 -0.059 0.000 0.988 560 Q CA 1.402 57.190 55.803 -0.025 0.000 0.843 560 Q CB -1.281 27.447 28.738 -0.017 0.000 0.908 560 Q HN 0.639 nan 8.270 nan 0.000 0.420 561 N N 0.749 119.404 118.700 -0.074 0.000 2.242 561 N HA -0.175 4.565 4.740 -0.001 0.000 0.191 561 N C 1.590 177.023 175.510 -0.127 0.000 1.005 561 N CA 1.086 54.082 53.050 -0.090 0.000 0.877 561 N CB -0.051 38.382 38.487 -0.090 0.000 0.983 561 N HN 0.315 nan 8.380 nan 0.000 0.439 562 I N -0.210 120.247 120.570 -0.188 0.000 2.927 562 I HA -0.080 4.090 4.170 -0.001 0.000 0.268 562 I C 2.366 178.409 176.117 -0.124 0.000 1.153 562 I CA 0.130 61.296 61.300 -0.224 0.000 1.459 562 I CB -0.152 37.567 38.000 -0.469 0.000 1.149 562 I HN 0.035 nan 8.210 nan 0.000 0.443 563 K N 1.544 121.894 120.400 -0.082 0.000 2.057 563 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 563 K C 1.751 178.332 176.600 -0.032 0.000 1.049 563 K CA 1.586 57.855 56.287 -0.030 0.000 0.931 563 K CB -0.021 32.477 32.500 -0.004 0.000 0.714 563 K HN 0.256 nan 8.250 nan 0.000 0.440 564 N N 0.921 119.598 118.700 -0.039 0.000 2.364 564 N HA -0.154 4.585 4.740 -0.001 0.000 0.183 564 N C 1.634 177.123 175.510 -0.035 0.000 1.022 564 N CA 1.133 54.164 53.050 -0.032 0.000 0.883 564 N CB 0.031 38.499 38.487 -0.033 0.000 0.965 564 N HN 0.448 nan 8.380 nan 0.000 0.438 565 Q N 0.295 120.066 119.800 -0.048 0.000 2.089 565 Q HA 0.134 4.474 4.340 -0.001 0.000 0.195 565 Q C 2.092 178.070 176.000 -0.037 0.000 0.963 565 Q CA 0.477 56.252 55.803 -0.046 0.000 0.834 565 Q CB 0.051 28.751 28.738 -0.063 0.000 0.906 565 Q HN 0.299 nan 8.270 nan 0.000 0.452 566 L N 0.382 121.582 121.223 -0.038 0.000 2.353 566 L HA -0.144 4.196 4.340 -0.001 0.000 0.220 566 L C 2.214 179.075 176.870 -0.015 0.000 1.133 566 L CA 0.572 55.397 54.840 -0.026 0.000 0.798 566 L CB -0.449 41.599 42.059 -0.020 0.000 0.922 566 L HN 0.212 nan 8.230 nan 0.000 0.445 567 A N 0.186 122.997 122.820 -0.016 0.000 1.850 567 A HA -0.106 4.213 4.320 -0.001 0.000 0.212 567 A C 1.903 179.481 177.584 -0.010 0.000 1.208 567 A CA 0.700 52.731 52.037 -0.010 0.000 0.609 567 A CB -0.301 18.693 19.000 -0.010 0.000 0.860 567 A HN 0.366 nan 8.150 nan 0.000 0.448 568 E N -0.342 119.850 120.200 -0.013 0.000 2.461 568 E HA 0.109 4.458 4.350 -0.001 0.000 0.196 568 E C 0.159 176.753 176.600 -0.011 0.000 1.129 568 E CA 0.097 56.490 56.400 -0.012 0.000 0.902 568 E CB -0.130 29.561 29.700 -0.014 0.000 0.963 568 E HN 0.544 nan 8.360 nan 0.000 0.503 569 L N 0.064 121.280 121.223 -0.011 0.000 3.259 569 L HA 0.144 4.484 4.340 -0.001 0.000 0.292 569 L C -0.309 176.558 176.870 -0.006 0.000 1.219 569 L CA -0.464 54.370 54.840 -0.010 0.000 1.035 569 L CB 0.265 42.315 42.059 -0.015 0.000 1.424 569 L HN 0.009 nan 8.230 nan 0.000 0.603 570 N N 2.548 121.246 118.700 -0.004 0.000 2.601 570 N HA -0.165 4.575 4.740 -0.001 0.000 0.298 570 N C -0.297 175.214 175.510 0.002 0.000 1.227 570 N CA 1.175 54.225 53.050 -0.000 0.000 0.732 570 N CB -0.262 38.226 38.487 0.001 0.000 0.964 570 N HN 0.483 nan 8.380 nan 0.000 0.549 571 A N 0.641 123.463 122.820 0.003 0.000 2.590 571 A HA 0.589 4.908 4.320 -0.001 0.000 0.294 571 A C 0.516 178.107 177.584 0.011 0.000 1.046 571 A CA 0.088 52.130 52.037 0.007 0.000 0.684 571 A CB 1.285 20.287 19.000 0.004 0.000 1.279 571 A HN 0.322 nan 8.150 nan 0.000 0.415 572 T N -0.280 114.285 114.554 0.019 0.000 2.959 572 T HA 0.159 4.509 4.350 -0.001 0.000 0.254 572 T C 0.249 174.974 174.700 0.040 0.000 1.003 572 T CA 0.653 62.769 62.100 0.027 0.000 0.950 572 T CB -0.355 68.531 68.868 0.029 0.000 1.090 572 T HN 0.574 nan 8.240 nan 0.000 0.503 573 N N 1.909 120.636 118.700 0.046 0.000 2.469 573 N HA 0.233 4.973 4.740 -0.001 0.000 0.253 573 N C 0.828 176.362 175.510 0.039 0.000 0.970 573 N CA -0.169 52.932 53.050 0.085 0.000 0.940 573 N CB 1.179 39.730 38.487 0.108 0.000 1.128 573 N HN 0.350 nan 8.380 nan 0.000 0.503 574 I N 4.133 124.675 120.570 -0.045 0.000 2.394 574 I HA -0.208 3.961 4.170 -0.001 0.000 0.251 574 I C 0.816 176.782 176.117 -0.251 0.000 1.136 574 I CA 1.063 62.244 61.300 -0.199 0.000 1.425 574 I CB 0.075 37.859 38.000 -0.359 0.000 1.079 574 I HN 0.535 nan 8.210 nan 0.000 0.425 575 Y N 0.973 121.163 120.300 -0.183 0.000 2.384 575 Y HA -0.240 4.310 4.550 -0.001 0.000 0.289 575 Y C 2.513 178.371 175.900 -0.069 0.000 1.152 575 Y CA 1.642 59.656 58.100 -0.144 0.000 1.258 575 Y CB -0.876 37.536 38.460 -0.081 0.000 0.979 575 Y HN 0.204 nan 8.280 nan 0.000 0.549 576 T N -0.715 113.890 114.554 0.084 0.000 2.815 576 T HA -0.089 4.261 4.350 -0.001 0.000 0.244 576 T C 1.792 176.500 174.700 0.013 0.000 1.040 576 T CA 1.407 63.538 62.100 0.051 0.000 1.176 576 T CB -0.773 68.121 68.868 0.044 0.000 0.880 576 T HN 0.217 nan 8.240 nan 0.000 0.414 577 V N 1.338 121.246 119.914 -0.010 0.000 3.593 577 V HA 0.160 4.279 4.120 -0.001 0.000 0.275 577 V C 1.953 178.021 176.094 -0.044 0.000 1.237 577 V CA 0.343 62.630 62.300 -0.022 0.000 1.194 577 V CB -1.682 30.125 31.823 -0.026 0.000 0.949 577 V HN 0.186 nan 8.190 nan 0.000 0.467 578 L N 2.918 124.108 121.223 -0.056 0.000 1.978 578 L HA -0.223 4.116 4.340 -0.001 0.000 0.218 578 L C 2.300 179.145 176.870 -0.041 0.000 1.075 578 L CA 2.659 57.451 54.840 -0.080 0.000 0.767 578 L CB -0.820 41.197 42.059 -0.070 0.000 0.890 578 L HN 0.763 nan 8.230 nan 0.000 0.434 579 D N -0.912 119.477 120.400 -0.018 0.000 2.403 579 D HA -0.142 4.498 4.640 -0.001 0.000 0.260 579 D C 0.563 176.855 176.300 -0.013 0.000 1.243 579 D CA 0.442 54.436 54.000 -0.010 0.000 0.918 579 D CB -0.272 40.531 40.800 0.005 0.000 0.939 579 D HN 0.472 nan 8.370 nan 0.000 0.507 580 K N 0.277 120.663 120.400 -0.023 0.000 2.665 580 K HA 0.197 4.516 4.320 -0.001 0.000 0.194 580 K C -0.424 176.156 176.600 -0.034 0.000 1.135 580 K CA -0.478 55.795 56.287 -0.023 0.000 1.089 580 K CB 1.227 33.716 32.500 -0.018 0.000 0.817 580 K HN 0.039 nan 8.250 nan 0.000 0.506 581 I N 2.549 123.095 120.570 -0.041 0.000 2.312 581 I HA 0.210 4.380 4.170 -0.001 0.000 0.290 581 I C -0.009 176.078 176.117 -0.049 0.000 1.008 581 I CA -0.826 60.441 61.300 -0.055 0.000 1.226 581 I CB 0.945 38.906 38.000 -0.066 0.000 1.371 581 I HN -0.133 nan 8.210 nan 0.000 0.468 582 K N 7.293 127.662 120.400 -0.052 0.000 2.316 582 K HA 0.395 4.714 4.320 -0.001 0.000 0.289 582 K C -0.325 176.243 176.600 -0.053 0.000 1.070 582 K CA -0.358 55.902 56.287 -0.045 0.000 0.928 582 K CB 1.045 33.522 32.500 -0.039 0.000 1.039 582 K HN 0.511 nan 8.250 nan 0.000 0.480 583 L N 3.918 125.115 121.223 -0.043 0.000 2.278 583 L HA 0.232 4.572 4.340 -0.001 0.000 0.287 583 L C 0.416 177.266 176.870 -0.033 0.000 1.072 583 L CA -0.246 54.569 54.840 -0.041 0.000 0.819 583 L CB 0.322 42.363 42.059 -0.029 0.000 1.176 583 L HN 0.483 nan 8.230 nan 0.000 0.435 584 N N 1.782 120.462 118.700 -0.034 0.000 2.456 584 N HA 0.551 5.291 4.740 -0.001 0.000 0.296 584 N C -0.144 175.357 175.510 -0.014 0.000 1.102 584 N CA -0.790 52.245 53.050 -0.024 0.000 0.924 584 N CB 1.701 40.171 38.487 -0.027 0.000 1.186 584 N HN 0.675 nan 8.380 nan 0.000 0.492 585 A N 1.337 124.151 122.820 -0.010 0.000 2.583 585 A HA -0.013 4.306 4.320 -0.001 0.000 0.231 585 A C 0.650 178.237 177.584 0.004 0.000 1.065 585 A CA 0.540 52.574 52.037 -0.005 0.000 0.760 585 A CB -0.112 18.885 19.000 -0.005 0.000 1.001 585 A HN 0.989 nan 8.150 nan 0.000 0.509 586 K N -1.329 119.080 120.400 0.014 0.000 3.500 586 K HA -0.187 4.132 4.320 -0.001 0.000 0.313 586 K C 0.186 176.816 176.600 0.050 0.000 1.338 586 K CA 1.352 57.657 56.287 0.032 0.000 0.963 586 K CB -1.759 30.755 32.500 0.022 0.000 1.267 586 K HN 0.786 nan 8.250 nan 0.000 0.448 587 M N 1.678 121.303 119.600 0.041 0.000 2.217 587 M HA 0.131 4.611 4.480 -0.001 0.000 0.354 587 M C -0.583 175.785 176.300 0.114 0.000 1.225 587 M CA 0.454 55.788 55.300 0.056 0.000 1.137 587 M CB 0.537 33.146 32.600 0.015 0.000 1.576 587 M HN 0.115 nan 8.290 nan 0.000 0.461 588 N N 5.589 124.405 118.700 0.193 0.000 2.314 588 N HA 0.613 5.352 4.740 -0.001 0.000 0.294 588 N C -1.595 174.128 175.510 0.355 0.000 1.029 588 N CA -0.682 52.539 53.050 0.285 0.000 0.845 588 N CB 2.025 40.798 38.487 0.477 0.000 1.321 588 N HN 0.529 nan 8.380 nan 0.000 0.481 589 I N 1.936 122.643 120.570 0.229 0.000 2.619 589 I HA 0.290 4.459 4.170 -0.001 0.000 0.292 589 I C -1.348 174.729 176.117 -0.066 0.000 1.100 589 I CA -0.849 60.575 61.300 0.206 0.000 1.043 589 I CB 2.379 40.510 38.000 0.218 0.000 1.239 589 I HN 0.273 nan 8.210 nan 0.000 0.420 590 L N 7.682 128.806 121.223 -0.164 0.000 2.337 590 L HA 0.514 4.854 4.340 -0.001 0.000 0.269 590 L C -0.968 175.700 176.870 -0.337 0.000 1.018 590 L CA -0.257 54.417 54.840 -0.276 0.000 0.876 590 L CB 0.684 42.604 42.059 -0.232 0.000 1.236 590 L HN 0.318 nan 8.230 nan 0.000 0.436 591 I N 5.862 126.212 120.570 -0.366 0.000 2.291 591 I HA 0.365 4.534 4.170 -0.001 0.000 0.290 591 I C 0.237 176.321 176.117 -0.055 0.000 1.050 591 I CA -0.097 61.000 61.300 -0.338 0.000 1.245 591 I CB 0.473 38.166 38.000 -0.511 0.000 1.405 591 I HN 0.664 nan 8.210 nan 0.000 0.478 592 R N 3.406 123.939 120.500 0.055 0.000 2.740 592 R HA 0.464 4.804 4.340 -0.001 0.000 0.282 592 R C -0.459 176.134 176.300 0.488 0.000 0.969 592 R CA -0.884 55.294 56.100 0.130 0.000 0.918 592 R CB 1.964 32.117 30.300 -0.246 0.000 1.175 592 R HN 0.375 nan 8.270 nan 0.000 0.464 593 D N 1.909 122.640 120.400 0.552 0.000 2.533 593 D HA -0.080 4.560 4.640 -0.001 0.000 0.236 593 D C 0.137 176.609 176.300 0.287 0.000 1.137 593 D CA 0.542 54.717 54.000 0.291 0.000 0.867 593 D CB 1.114 42.120 40.800 0.343 0.000 1.170 593 D HN 0.658 nan 8.370 nan 0.000 0.474 594 K N 3.570 123.996 120.400 0.044 0.000 2.432 594 K HA -0.027 4.292 4.320 -0.001 0.000 0.196 594 K C 1.853 178.446 176.600 -0.011 0.000 1.038 594 K CA 0.145 56.483 56.287 0.086 0.000 0.986 594 K CB 0.348 32.877 32.500 0.048 0.000 0.782 594 K HN 0.365 nan 8.250 nan 0.000 0.485 595 R N 0.013 120.429 120.500 -0.140 0.000 2.082 595 R HA -0.072 4.268 4.340 -0.001 0.000 0.228 595 R C 0.504 176.584 176.300 -0.367 0.000 1.140 595 R CA 1.166 57.042 56.100 -0.373 0.000 0.920 595 R CB -0.418 29.416 30.300 -0.777 0.000 0.828 595 R HN 0.004 nan 8.270 nan 0.000 0.430 596 F N 0.338 120.182 119.950 -0.177 0.000 2.403 596 F HA 0.175 4.701 4.527 -0.001 0.000 0.320 596 F C 1.181 176.767 175.800 -0.357 0.000 1.176 596 F CA -0.419 57.411 58.000 -0.284 0.000 1.206 596 F CB 0.034 38.828 39.000 -0.344 0.000 1.235 596 F HN 0.012 nan 8.300 nan 0.000 0.565 597 H N -0.998 117.947 119.070 -0.207 0.000 2.544 597 H HA 0.334 4.890 4.556 -0.001 0.000 0.365 597 H C -1.233 173.840 175.328 -0.426 0.000 1.268 597 H CA -0.556 55.356 56.048 -0.226 0.000 1.400 597 H CB 0.855 30.571 29.762 -0.077 0.000 1.538 597 H HN 0.429 nan 8.280 nan 0.000 0.597 598 Y N 0.367 120.773 120.300 0.177 0.000 2.545 598 Y HA 0.080 4.630 4.550 -0.001 0.000 0.348 598 Y C 0.196 176.140 175.900 0.073 0.000 1.002 598 Y CA -1.050 57.110 58.100 0.101 0.000 1.039 598 Y CB 1.264 39.771 38.460 0.078 0.000 1.271 598 Y HN 0.727 nan 8.280 nan 0.000 0.467 599 D N 0.301 120.851 120.400 0.251 0.000 2.406 599 D HA 0.188 4.828 4.640 -0.001 0.000 0.288 599 D C 1.092 177.470 176.300 0.131 0.000 1.186 599 D CA -0.201 53.888 54.000 0.149 0.000 1.098 599 D CB 0.300 41.161 40.800 0.102 0.000 1.160 599 D HN 0.499 nan 8.370 nan 0.000 0.561 600 R N -1.081 119.476 120.500 0.094 0.000 2.173 600 R HA 0.092 4.431 4.340 -0.001 0.000 0.208 600 R C 0.574 176.913 176.300 0.066 0.000 1.035 600 R CA 0.439 56.587 56.100 0.080 0.000 1.004 600 R CB -0.071 30.261 30.300 0.052 0.000 0.917 600 R HN 0.304 nan 8.270 nan 0.000 0.462 601 N N 0.888 119.622 118.700 0.057 0.000 2.270 601 N HA 0.065 4.804 4.740 -0.001 0.000 0.198 601 N C -0.858 174.676 175.510 0.039 0.000 1.117 601 N CA 0.018 53.093 53.050 0.042 0.000 0.845 601 N CB 0.500 39.000 38.487 0.023 0.000 0.980 601 N HN 0.116 nan 8.380 nan 0.000 0.486 602 N N 0.518 119.245 118.700 0.046 0.000 2.726 602 N HA -0.161 4.578 4.740 -0.001 0.000 0.253 602 N C -1.092 174.408 175.510 -0.016 0.000 1.059 602 N CA 0.717 53.740 53.050 -0.045 0.000 0.701 602 N CB -1.320 37.100 38.487 -0.111 0.000 0.899 602 N HN 0.363 nan 8.380 nan 0.000 0.548 603 I N -0.706 119.953 120.570 0.148 0.000 2.693 603 I HA 0.536 4.705 4.170 -0.001 0.000 0.303 603 I C 0.894 177.165 176.117 0.257 0.000 1.025 603 I CA -1.261 60.121 61.300 0.137 0.000 1.086 603 I CB 1.707 39.737 38.000 0.050 0.000 1.268 603 I HN 0.133 nan 8.210 nan 0.000 0.440 604 A N 4.025 126.903 122.820 0.098 0.000 2.535 604 A HA 0.305 4.625 4.320 -0.001 0.000 0.290 604 A C 0.832 178.363 177.584 -0.089 0.000 1.270 604 A CA -0.110 51.871 52.037 -0.095 0.000 0.937 604 A CB -0.587 18.243 19.000 -0.283 0.000 1.096 604 A HN 0.613 nan 8.150 nan 0.000 0.534 605 V N 2.952 122.829 119.914 -0.061 0.000 2.365 605 V HA 0.423 4.542 4.120 -0.001 0.000 0.232 605 V C 1.347 177.420 176.094 -0.036 0.000 1.065 605 V CA 1.130 63.417 62.300 -0.022 0.000 1.054 605 V CB -1.033 30.809 31.823 0.033 0.000 0.685 605 V HN 1.114 nan 8.190 nan 0.000 0.480 606 G N -1.331 107.447 108.800 -0.036 0.000 2.717 606 G HA2 0.646 4.605 3.960 -0.001 0.000 0.300 606 G HA3 0.646 4.605 3.960 -0.001 0.000 0.300 606 G C -0.716 174.055 174.900 -0.215 0.000 1.424 606 G CA 0.110 45.177 45.100 -0.055 0.000 1.033 606 G HN 0.530 nan 8.290 nan 0.000 0.577 607 A N 1.477 124.214 122.820 -0.138 0.000 2.599 607 A HA 0.755 5.074 4.320 -0.001 0.000 0.257 607 A C 0.130 177.439 177.584 -0.458 0.000 1.641 607 A CA -0.410 51.425 52.037 -0.336 0.000 0.842 607 A CB 0.309 19.128 19.000 -0.302 0.000 1.599 607 A HN 0.568 nan 8.150 nan 0.000 0.585 608 D N -0.524 119.696 120.400 -0.301 0.000 2.253 608 D HA 0.227 4.867 4.640 -0.001 0.000 0.249 608 D C 0.848 177.079 176.300 -0.115 0.000 1.049 608 D CA -0.176 53.715 54.000 -0.181 0.000 0.929 608 D CB 0.978 41.731 40.800 -0.078 0.000 1.176 608 D HN 0.571 nan 8.370 nan 0.000 0.437 609 E N 0.604 120.758 120.200 -0.078 0.000 2.136 609 E HA -0.206 4.144 4.350 -0.001 0.000 0.202 609 E C 1.707 178.284 176.600 -0.039 0.000 1.019 609 E CA 1.346 57.715 56.400 -0.051 0.000 0.819 609 E CB 0.046 29.722 29.700 -0.040 0.000 0.739 609 E HN 0.287 nan 8.360 nan 0.000 0.458 610 S N 0.695 116.369 115.700 -0.042 0.000 2.444 610 S HA -0.208 4.262 4.470 -0.001 0.000 0.225 610 S C 2.257 176.837 174.600 -0.033 0.000 1.042 610 S CA 1.589 59.769 58.200 -0.035 0.000 1.132 610 S CB -0.636 62.538 63.200 -0.042 0.000 1.099 610 S HN 0.101 nan 8.310 nan 0.000 0.417 611 V N 1.910 121.784 119.914 -0.067 0.000 2.317 611 V HA -0.218 3.902 4.120 -0.001 0.000 0.251 611 V C 2.311 178.401 176.094 -0.006 0.000 1.065 611 V CA 1.831 64.085 62.300 -0.078 0.000 1.049 611 V CB -1.154 30.556 31.823 -0.188 0.000 0.651 611 V HN 0.326 nan 8.190 nan 0.000 0.450 612 V N -0.181 119.737 119.914 0.007 0.000 2.220 612 V HA -0.336 3.784 4.120 -0.001 0.000 0.246 612 V C 2.463 178.656 176.094 0.164 0.000 1.049 612 V CA 2.477 64.835 62.300 0.097 0.000 1.003 612 V CB -0.815 31.027 31.823 0.032 0.000 0.634 612 V HN 0.529 nan 8.190 nan 0.000 0.444 613 K N -0.245 120.189 120.400 0.056 0.000 2.034 613 K HA -0.317 4.003 4.320 -0.001 0.000 0.214 613 K C 2.173 178.863 176.600 0.150 0.000 1.051 613 K CA 2.121 58.444 56.287 0.060 0.000 0.931 613 K CB -0.366 32.146 32.500 0.021 0.000 0.715 613 K HN 0.447 nan 8.250 nan 0.000 0.446 614 E N 1.072 121.331 120.200 0.098 0.000 2.068 614 E HA -0.260 4.090 4.350 -0.001 0.000 0.207 614 E C 1.794 178.462 176.600 0.113 0.000 1.032 614 E CA 2.057 58.505 56.400 0.080 0.000 0.839 614 E CB -0.408 29.311 29.700 0.033 0.000 0.758 614 E HN 0.326 nan 8.360 nan 0.000 0.457 615 A N -0.645 122.260 122.820 0.140 0.000 2.084 615 A HA -0.221 4.099 4.320 -0.001 0.000 0.221 615 A C 1.548 179.118 177.584 -0.023 0.000 1.161 615 A CA 2.103 54.176 52.037 0.060 0.000 0.653 615 A CB -0.853 18.166 19.000 0.032 0.000 0.802 615 A HN 0.496 nan 8.150 nan 0.000 0.457 616 H N -2.042 117.063 119.070 0.058 0.000 2.622 616 H HA 0.185 4.741 4.556 -0.001 0.000 0.269 616 H C 1.728 177.096 175.328 0.068 0.000 0.977 616 H CA 0.456 56.541 56.048 0.062 0.000 1.179 616 H CB -0.048 29.756 29.762 0.070 0.000 1.458 616 H HN 0.517 nan 8.280 nan 0.000 0.531 617 R N 1.384 121.982 120.500 0.163 0.000 2.185 617 R HA -0.130 4.210 4.340 -0.001 0.000 0.247 617 R C -0.277 176.077 176.300 0.090 0.000 1.159 617 R CA 1.035 57.198 56.100 0.105 0.000 0.988 617 R CB 0.004 30.344 30.300 0.067 0.000 0.871 617 R HN 0.435 nan 8.270 nan 0.000 0.458 618 E N 0.367 120.614 120.200 0.078 0.000 2.283 618 E HA 0.230 4.579 4.350 -0.001 0.000 0.278 618 E C -1.116 175.534 176.600 0.082 0.000 1.027 618 E CA -0.437 56.000 56.400 0.062 0.000 0.843 618 E CB 2.091 31.811 29.700 0.033 0.000 1.062 618 E HN -0.056 nan 8.360 nan 0.000 0.401 619 V N 4.060 124.025 119.914 0.086 0.000 2.876 619 V HA 0.237 4.357 4.120 -0.001 0.000 0.312 619 V C 0.261 176.395 176.094 0.068 0.000 1.085 619 V CA -0.600 61.763 62.300 0.105 0.000 0.945 619 V CB 1.861 33.791 31.823 0.179 0.000 1.017 619 V HN 0.681 nan 8.190 nan 0.000 0.428 620 I N 1.415 122.018 120.570 0.056 0.000 4.197 620 I HA 0.304 4.474 4.170 -0.001 0.000 0.307 620 I C 0.404 176.548 176.117 0.044 0.000 1.236 620 I CA 0.748 62.072 61.300 0.040 0.000 1.321 620 I CB 0.417 38.432 38.000 0.025 0.000 1.309 620 I HN 0.715 nan 8.210 nan 0.000 0.450 621 N N 0.988 119.720 118.700 0.053 0.000 2.648 621 N HA 0.128 4.867 4.740 -0.001 0.000 0.272 621 N C -1.544 174.009 175.510 0.072 0.000 1.118 621 N CA 0.163 53.248 53.050 0.060 0.000 0.973 621 N CB 1.882 40.397 38.487 0.047 0.000 1.565 621 N HN -0.226 nan 8.380 nan 0.000 0.542 622 S N 1.273 117.031 115.700 0.098 0.000 2.480 622 S HA 0.636 5.105 4.470 -0.001 0.000 0.286 622 S C -0.344 174.330 174.600 0.124 0.000 1.180 622 S CA -0.411 57.865 58.200 0.126 0.000 1.075 622 S CB 1.374 64.698 63.200 0.207 0.000 0.996 622 S HN 0.580 nan 8.310 nan 0.000 0.487 623 S N 0.756 116.553 115.700 0.161 0.000 2.607 623 S HA 0.462 4.932 4.470 -0.001 0.000 0.273 623 S C 0.854 175.594 174.600 0.234 0.000 1.148 623 S CA -0.361 57.938 58.200 0.164 0.000 0.833 623 S CB 1.132 64.422 63.200 0.151 0.000 1.130 623 S HN 0.752 nan 8.310 nan 0.000 0.470 624 T N -0.106 114.547 114.554 0.165 0.000 3.160 624 T HA 0.211 4.561 4.350 -0.001 0.000 0.257 624 T C 0.817 175.679 174.700 0.270 0.000 1.147 624 T CA 0.843 63.031 62.100 0.146 0.000 1.064 624 T CB -0.306 68.612 68.868 0.083 0.000 0.949 624 T HN 0.635 nan 8.240 nan 0.000 0.526 625 E N 0.716 121.094 120.200 0.297 0.000 2.152 625 E HA 0.449 4.799 4.350 -0.001 0.000 0.195 625 E C 0.964 177.625 176.600 0.101 0.000 0.934 625 E CA 0.090 56.636 56.400 0.243 0.000 0.869 625 E CB 0.502 30.305 29.700 0.171 0.000 0.842 625 E HN 0.550 nan 8.360 nan 0.000 0.472 626 G N 0.632 109.406 108.800 -0.044 0.000 2.596 626 G HA2 0.392 4.352 3.960 -0.001 0.000 0.296 626 G HA3 0.392 4.352 3.960 -0.001 0.000 0.296 626 G C -1.401 173.289 174.900 -0.350 0.000 1.513 626 G CA -0.913 43.746 45.100 -0.735 0.000 0.851 626 G HN -0.039 nan 8.290 nan 0.000 0.548 627 L N 0.762 121.656 121.223 -0.548 0.000 2.397 627 L HA 0.545 4.884 4.340 -0.001 0.000 0.271 627 L C -0.210 176.572 176.870 -0.146 0.000 1.148 627 L CA -0.777 53.888 54.840 -0.291 0.000 0.825 627 L CB 1.382 43.144 42.059 -0.495 0.000 1.117 627 L HN 0.414 nan 8.230 nan 0.000 0.456 628 L N 4.104 125.332 121.223 0.009 0.000 2.316 628 L HA 0.568 4.907 4.340 -0.001 0.000 0.280 628 L C -0.928 175.955 176.870 0.022 0.000 1.006 628 L CA -0.051 54.852 54.840 0.105 0.000 0.836 628 L CB 1.144 43.285 42.059 0.137 0.000 1.221 628 L HN 0.331 nan 8.230 nan 0.000 0.418 629 L N 3.730 124.953 121.223 0.001 0.000 2.256 629 L HA 0.575 4.915 4.340 -0.001 0.000 0.261 629 L C 0.219 177.085 176.870 -0.006 0.000 1.022 629 L CA -0.422 54.412 54.840 -0.010 0.000 0.828 629 L CB 1.565 43.599 42.059 -0.042 0.000 1.374 629 L HN 0.568 nan 8.230 nan 0.000 0.436 630 N N 0.116 118.808 118.700 -0.013 0.000 2.610 630 N HA 0.388 5.127 4.740 -0.001 0.000 0.309 630 N C -0.649 174.838 175.510 -0.038 0.000 1.536 630 N CA -0.169 52.873 53.050 -0.014 0.000 0.954 630 N CB -0.152 38.333 38.487 -0.003 0.000 1.310 630 N HN 0.467 nan 8.380 nan 0.000 0.502 631 I N 0.013 120.536 120.570 -0.079 0.000 2.880 631 I HA -0.118 4.052 4.170 -0.001 0.000 0.296 631 I C 0.773 176.844 176.117 -0.076 0.000 1.220 631 I CA 0.177 61.386 61.300 -0.153 0.000 1.435 631 I CB 0.228 38.082 38.000 -0.242 0.000 1.339 631 I HN 0.334 nan 8.210 nan 0.000 0.583 632 D N 5.504 125.865 120.400 -0.065 0.000 2.425 632 D HA -0.003 4.636 4.640 -0.001 0.000 0.247 632 D C 0.980 177.292 176.300 0.021 0.000 1.147 632 D CA -0.129 53.869 54.000 -0.002 0.000 0.879 632 D CB 0.914 41.729 40.800 0.024 0.000 1.179 632 D HN 0.265 nan 8.370 nan 0.000 0.456 633 K N 3.034 123.453 120.400 0.031 0.000 1.991 633 K HA -0.156 4.163 4.320 -0.001 0.000 0.212 633 K C 1.366 177.995 176.600 0.050 0.000 1.049 633 K CA 1.478 57.785 56.287 0.033 0.000 0.932 633 K CB -0.533 31.984 32.500 0.028 0.000 0.717 633 K HN 0.533 nan 8.250 nan 0.000 0.441 634 D N 0.692 121.144 120.400 0.085 0.000 2.203 634 D HA -0.155 4.484 4.640 -0.001 0.000 0.199 634 D C 1.807 178.234 176.300 0.210 0.000 0.997 634 D CA 0.890 54.968 54.000 0.131 0.000 0.863 634 D CB -0.000 40.964 40.800 0.273 0.000 0.928 634 D HN 0.103 nan 8.370 nan 0.000 0.458 635 I N 0.555 121.262 120.570 0.229 0.000 2.260 635 I HA -0.088 4.081 4.170 -0.001 0.000 0.237 635 I C 2.429 178.637 176.117 0.151 0.000 1.075 635 I CA 0.739 62.200 61.300 0.269 0.000 1.376 635 I CB -1.190 36.919 38.000 0.181 0.000 1.107 635 I HN 0.095 nan 8.210 nan 0.000 0.420 636 R N 1.946 122.501 120.500 0.092 0.000 2.198 636 R HA -0.274 4.066 4.340 -0.001 0.000 0.258 636 R C 1.944 178.265 176.300 0.035 0.000 1.173 636 R CA 2.251 58.393 56.100 0.070 0.000 0.991 636 R CB -0.834 29.492 30.300 0.044 0.000 0.879 636 R HN 0.291 nan 8.270 nan 0.000 0.460 637 K N 1.632 122.038 120.400 0.010 0.000 2.442 637 K HA -0.035 4.285 4.320 -0.001 0.000 0.198 637 K C 1.604 178.173 176.600 -0.053 0.000 1.042 637 K CA 1.162 57.427 56.287 -0.036 0.000 0.958 637 K CB -0.014 32.438 32.500 -0.080 0.000 0.766 637 K HN 0.647 nan 8.250 nan 0.000 0.474 638 I N -1.250 119.310 120.570 -0.017 0.000 3.914 638 I HA 0.239 4.408 4.170 -0.001 0.000 0.333 638 I C -0.837 175.279 176.117 -0.001 0.000 1.449 638 I CA -0.675 60.615 61.300 -0.015 0.000 1.135 638 I CB 0.362 38.386 38.000 0.039 0.000 1.073 638 I HN -0.175 nan 8.210 nan 0.000 0.401 639 L N 1.116 122.333 121.223 -0.010 0.000 2.313 639 L HA 0.363 4.703 4.340 -0.001 0.000 0.283 639 L C 1.299 178.111 176.870 -0.096 0.000 1.013 639 L CA 0.168 54.976 54.840 -0.054 0.000 0.816 639 L CB 1.551 43.571 42.059 -0.066 0.000 1.236 639 L HN 0.165 nan 8.230 nan 0.000 0.419 640 S N 2.251 117.896 115.700 -0.092 0.000 2.362 640 S HA 0.278 4.747 4.470 -0.001 0.000 0.221 640 S C 0.681 175.235 174.600 -0.077 0.000 1.032 640 S CA 0.879 59.051 58.200 -0.046 0.000 0.973 640 S CB 0.383 63.571 63.200 -0.020 0.000 0.849 640 S HN 0.915 nan 8.310 nan 0.000 0.465 641 G N -1.232 107.451 108.800 -0.194 0.000 2.489 641 G HA2 0.518 4.478 3.960 -0.001 0.000 0.305 641 G HA3 0.518 4.478 3.960 -0.001 0.000 0.305 641 G C -2.249 172.407 174.900 -0.408 0.000 1.311 641 G CA -0.711 44.213 45.100 -0.294 0.000 0.813 641 G HN 0.187 nan 8.290 nan 0.000 0.480 642 Y N -0.686 119.669 120.300 0.091 0.000 2.462 642 Y HA 0.665 5.215 4.550 -0.001 0.000 0.346 642 Y C 0.228 176.186 175.900 0.097 0.000 0.976 642 Y CA -1.031 57.124 58.100 0.092 0.000 1.044 642 Y CB 2.177 40.674 38.460 0.061 0.000 1.230 642 Y HN 0.376 nan 8.280 nan 0.000 0.455 643 I N 3.792 124.535 120.570 0.287 0.000 2.307 643 I HA 0.321 4.491 4.170 -0.001 0.000 0.289 643 I C -0.782 175.396 176.117 0.102 0.000 1.021 643 I CA -0.865 60.552 61.300 0.196 0.000 1.224 643 I CB 0.854 39.012 38.000 0.263 0.000 1.376 643 I HN 0.238 nan 8.210 nan 0.000 0.470 644 V N 6.997 126.975 119.914 0.106 0.000 2.432 644 V HA 0.283 4.402 4.120 -0.001 0.000 0.271 644 V C 0.266 176.353 176.094 -0.011 0.000 1.046 644 V CA -0.213 62.125 62.300 0.063 0.000 0.945 644 V CB 0.768 32.720 31.823 0.215 0.000 0.992 644 V HN 0.906 nan 8.190 nan 0.000 0.471 645 E N 5.368 125.505 120.200 -0.104 0.000 2.442 645 E HA 0.811 5.161 4.350 -0.001 0.000 0.261 645 E C -1.342 175.201 176.600 -0.096 0.000 0.935 645 E CA -1.087 55.268 56.400 -0.075 0.000 0.856 645 E CB 2.446 32.119 29.700 -0.045 0.000 1.571 645 E HN 0.395 nan 8.360 nan 0.000 0.431 646 I N 0.641 121.173 120.570 -0.062 0.000 2.571 646 I HA 0.217 4.386 4.170 -0.001 0.000 0.286 646 I C -1.183 174.875 176.117 -0.099 0.000 1.134 646 I CA -0.552 60.711 61.300 -0.063 0.000 1.052 646 I CB 2.157 40.145 38.000 -0.020 0.000 1.237 646 I HN 0.611 nan 8.210 nan 0.000 0.435 647 E N 6.276 126.417 120.200 -0.099 0.000 2.146 647 E HA 0.126 4.476 4.350 -0.001 0.000 0.282 647 E C -0.768 175.677 176.600 -0.259 0.000 0.989 647 E CA -0.555 55.771 56.400 -0.124 0.000 0.799 647 E CB 1.246 30.918 29.700 -0.046 0.000 1.088 647 E HN 0.515 nan 8.360 nan 0.000 0.397 648 D N 2.675 122.858 120.400 -0.361 0.000 2.368 648 D HA -0.067 4.572 4.640 -0.001 0.000 0.240 648 D C 1.032 177.194 176.300 -0.230 0.000 1.169 648 D CA 0.321 53.991 54.000 -0.549 0.000 0.906 648 D CB 1.401 41.956 40.800 -0.408 0.000 1.187 648 D HN 0.636 nan 8.370 nan 0.000 0.435 649 T N -0.178 114.309 114.554 -0.112 0.000 2.996 649 T HA -0.191 4.159 4.350 -0.001 0.000 0.271 649 T C 1.358 176.055 174.700 -0.006 0.000 1.126 649 T CA 1.416 63.531 62.100 0.026 0.000 1.103 649 T CB 0.047 68.981 68.868 0.110 0.000 0.870 649 T HN 0.590 nan 8.240 nan 0.000 0.528 650 E N 1.337 121.511 120.200 -0.042 0.000 2.110 650 E HA 0.299 4.648 4.350 -0.001 0.000 0.193 650 E C 1.326 177.906 176.600 -0.033 0.000 0.950 650 E CA 0.579 56.962 56.400 -0.030 0.000 0.840 650 E CB 0.176 29.857 29.700 -0.032 0.000 0.809 650 E HN 0.559 nan 8.360 nan 0.000 0.465 651 G N 1.260 110.028 108.800 -0.054 0.000 3.198 651 G HA2 0.080 4.040 3.960 -0.001 0.000 0.228 651 G HA3 0.080 4.040 3.960 -0.001 0.000 0.228 651 G C -0.589 174.283 174.900 -0.046 0.000 1.499 651 G CA -0.556 44.520 45.100 -0.040 0.000 1.104 651 G HN 0.061 nan 8.290 nan 0.000 0.563 652 L N 0.391 121.567 121.223 -0.078 0.000 2.379 652 L HA 0.580 4.919 4.340 -0.001 0.000 0.269 652 L C 0.339 177.176 176.870 -0.054 0.000 1.084 652 L CA -0.809 53.986 54.840 -0.074 0.000 0.802 652 L CB 1.320 43.311 42.059 -0.114 0.000 1.175 652 L HN -0.127 nan 8.230 nan 0.000 0.448 653 K N 2.457 122.842 120.400 -0.025 0.000 3.082 653 K HA 0.259 4.578 4.320 -0.001 0.000 0.203 653 K C -0.670 175.935 176.600 0.008 0.000 1.177 653 K CA -0.142 56.150 56.287 0.009 0.000 1.041 653 K CB 0.479 32.998 32.500 0.032 0.000 1.312 653 K HN 0.539 nan 8.250 nan 0.000 0.526 654 E N 1.048 121.237 120.200 -0.018 0.000 2.257 654 E HA 0.149 4.498 4.350 -0.001 0.000 0.278 654 E C -0.316 176.288 176.600 0.006 0.000 1.049 654 E CA -0.199 56.196 56.400 -0.008 0.000 0.876 654 E CB 1.205 30.892 29.700 -0.021 0.000 1.035 654 E HN -0.073 nan 8.360 nan 0.000 0.419 655 V N 5.170 125.096 119.914 0.021 0.000 2.513 655 V HA 0.153 4.272 4.120 -0.001 0.000 0.299 655 V C 1.013 177.121 176.094 0.023 0.000 1.035 655 V CA -0.682 61.635 62.300 0.027 0.000 0.889 655 V CB 1.358 33.209 31.823 0.048 0.000 0.988 655 V HN 0.615 nan 8.190 nan 0.000 0.440 656 I N 2.913 123.500 120.570 0.028 0.000 2.623 656 I HA -0.027 4.143 4.170 -0.001 0.000 0.214 656 I C 1.334 177.461 176.117 0.016 0.000 1.055 656 I CA 0.797 62.123 61.300 0.043 0.000 1.386 656 I CB -0.781 37.267 38.000 0.080 0.000 1.217 656 I HN 0.839 nan 8.210 nan 0.000 0.405 657 N N 2.850 121.556 118.700 0.010 0.000 2.410 657 N HA -0.110 4.629 4.740 -0.001 0.000 0.281 657 N C -0.127 175.318 175.510 -0.109 0.000 1.241 657 N CA 0.259 53.230 53.050 -0.132 0.000 0.998 657 N CB 0.277 38.626 38.487 -0.230 0.000 1.376 657 N HN 0.395 nan 8.380 nan 0.000 0.490 658 D N 1.438 121.782 120.400 -0.093 0.000 2.339 658 D HA 0.044 4.683 4.640 -0.001 0.000 0.217 658 D C -0.145 176.110 176.300 -0.076 0.000 1.050 658 D CA -0.005 53.964 54.000 -0.051 0.000 0.856 658 D CB 0.444 41.230 40.800 -0.023 0.000 0.922 658 D HN 0.383 nan 8.370 nan 0.000 0.518 659 R N 0.155 120.555 120.500 -0.168 0.000 2.368 659 R HA 0.152 4.492 4.340 -0.001 0.000 0.302 659 R C 0.771 176.934 176.300 -0.227 0.000 1.002 659 R CA -0.600 55.367 56.100 -0.221 0.000 0.929 659 R CB 0.669 30.770 30.300 -0.332 0.000 1.073 659 R HN 0.198 nan 8.270 nan 0.000 0.464 660 Y N 1.359 121.622 120.300 -0.062 0.000 2.219 660 Y HA -0.268 4.281 4.550 -0.001 0.000 0.283 660 Y C 0.878 176.736 175.900 -0.071 0.000 1.191 660 Y CA 1.834 59.919 58.100 -0.025 0.000 1.199 660 Y CB -0.546 37.923 38.460 0.015 0.000 0.972 660 Y HN 0.618 nan 8.280 nan 0.000 0.527 661 D N -0.494 119.560 120.400 -0.577 0.000 2.328 661 D HA 0.023 4.662 4.640 -0.001 0.000 0.226 661 D C 0.829 176.919 176.300 -0.351 0.000 1.066 661 D CA 0.411 54.154 54.000 -0.428 0.000 0.861 661 D CB -0.529 39.939 40.800 -0.552 0.000 0.912 661 D HN 0.515 nan 8.370 nan 0.000 0.521 662 M N 0.238 119.582 119.600 -0.427 0.000 2.673 662 M HA 0.284 4.763 4.480 -0.001 0.000 0.334 662 M C 0.629 176.716 176.300 -0.355 0.000 1.211 662 M CA -0.089 54.729 55.300 -0.803 0.000 0.962 662 M CB 0.580 32.511 32.600 -1.115 0.000 1.343 662 M HN 0.045 nan 8.290 nan 0.000 0.511 663 L N -0.445 120.724 121.223 -0.090 0.000 2.446 663 L HA 0.070 4.409 4.340 -0.001 0.000 0.219 663 L C 1.377 178.313 176.870 0.111 0.000 1.116 663 L CA 0.134 54.999 54.840 0.043 0.000 0.844 663 L CB -0.303 41.799 42.059 0.072 0.000 0.970 663 L HN 0.388 nan 8.230 nan 0.000 0.457 664 N N 2.000 120.785 118.700 0.142 0.000 2.454 664 N HA -0.011 4.728 4.740 -0.001 0.000 0.285 664 N C 0.479 176.080 175.510 0.151 0.000 1.233 664 N CA 0.358 53.484 53.050 0.128 0.000 1.036 664 N CB 0.495 39.040 38.487 0.097 0.000 1.423 664 N HN 0.459 nan 8.380 nan 0.000 0.495 665 I N -0.387 120.238 120.570 0.091 0.000 3.990 665 I HA 0.170 4.340 4.170 -0.001 0.000 0.275 665 I C 0.387 176.486 176.117 -0.030 0.000 1.157 665 I CA -0.463 60.848 61.300 0.018 0.000 1.338 665 I CB -0.628 37.416 38.000 0.073 0.000 1.588 665 I HN 0.191 nan 8.210 nan 0.000 0.441 666 S N 3.067 118.803 115.700 0.061 0.000 2.737 666 S HA 0.192 4.662 4.470 -0.001 0.000 0.315 666 S C 0.220 174.834 174.600 0.023 0.000 1.236 666 S CA -0.339 57.912 58.200 0.085 0.000 1.093 666 S CB -0.082 63.241 63.200 0.205 0.000 0.832 666 S HN 0.454 nan 8.310 nan 0.000 0.507 667 S N 2.365 118.065 115.700 0.000 0.000 2.623 667 S HA 0.825 5.295 4.470 -0.001 0.000 0.287 667 S C -0.557 174.092 174.600 0.081 0.000 1.123 667 S CA -0.859 57.371 58.200 0.050 0.000 1.016 667 S CB 0.660 63.929 63.200 0.114 0.000 1.233 667 S HN 0.960 nan 8.310 nan 0.000 0.512 668 L N 1.418 122.695 121.223 0.091 0.000 2.849 668 L HA 0.370 4.709 4.340 -0.001 0.000 0.256 668 L C -1.057 175.840 176.870 0.045 0.000 0.951 668 L CA -0.073 54.808 54.840 0.068 0.000 1.003 668 L CB 0.930 43.013 42.059 0.040 0.000 1.408 668 L HN 0.522 nan 8.230 nan 0.000 0.463 669 R N 2.073 122.595 120.500 0.038 0.000 2.641 669 R HA 0.247 4.587 4.340 -0.001 0.000 0.269 669 R C 0.651 176.946 176.300 -0.009 0.000 1.074 669 R CA 0.067 56.163 56.100 -0.006 0.000 1.133 669 R CB 0.575 30.852 30.300 -0.039 0.000 1.029 669 R HN 0.685 nan 8.270 nan 0.000 0.488 670 Q N 0.708 120.496 119.800 -0.020 0.000 2.541 670 Q HA -0.117 4.223 4.340 -0.001 0.000 0.215 670 Q C 0.099 176.088 176.000 -0.019 0.000 0.977 670 Q CA 1.613 57.405 55.803 -0.019 0.000 0.934 670 Q CB -0.141 28.582 28.738 -0.025 0.000 0.988 670 Q HN 0.694 nan 8.270 nan 0.000 0.521 671 D N -1.338 119.050 120.400 -0.020 0.000 2.339 671 D HA 0.169 4.809 4.640 -0.001 0.000 0.217 671 D C 1.103 177.397 176.300 -0.011 0.000 1.050 671 D CA 0.430 54.419 54.000 -0.019 0.000 0.856 671 D CB 0.024 40.808 40.800 -0.027 0.000 0.922 671 D HN 0.297 nan 8.370 nan 0.000 0.518 672 G N -0.086 108.711 108.800 -0.006 0.000 2.141 672 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.231 672 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.231 672 G C -0.092 174.810 174.900 0.004 0.000 0.984 672 G CA -0.085 45.015 45.100 0.000 0.000 0.660 672 G HN 0.419 nan 8.290 nan 0.000 0.525 673 K N 1.068 121.473 120.400 0.008 0.000 2.274 673 K HA 0.505 4.825 4.320 -0.001 0.000 0.262 673 K C -0.187 176.440 176.600 0.045 0.000 0.961 673 K CA -0.523 55.774 56.287 0.017 0.000 0.833 673 K CB 1.514 34.021 32.500 0.011 0.000 1.102 673 K HN 0.072 nan 8.250 nan 0.000 0.436 674 T N 3.287 117.866 114.554 0.043 0.000 2.769 674 T HA 0.062 4.411 4.350 -0.001 0.000 0.293 674 T C -0.616 174.145 174.700 0.101 0.000 0.931 674 T CA 0.052 62.191 62.100 0.066 0.000 1.139 674 T CB -0.225 68.673 68.868 0.050 0.000 0.881 674 T HN 0.270 nan 8.240 nan 0.000 0.532 675 F N 5.891 125.809 119.950 -0.054 0.000 2.361 675 F HA 0.537 5.063 4.527 -0.001 0.000 0.364 675 F C -0.371 175.357 175.800 -0.121 0.000 1.120 675 F CA -1.875 56.068 58.000 -0.095 0.000 1.102 675 F CB 0.048 38.996 39.000 -0.085 0.000 1.183 675 F HN 0.424 nan 8.300 nan 0.000 0.476 676 I N 4.337 124.482 120.570 -0.710 0.000 2.713 676 I HA 0.285 4.454 4.170 -0.001 0.000 0.300 676 I C -0.812 174.521 176.117 -1.307 0.000 1.009 676 I CA -0.501 60.327 61.300 -0.786 0.000 1.305 676 I CB 1.493 39.108 38.000 -0.643 0.000 1.430 676 I HN 0.511 nan 8.210 nan 0.000 0.546 677 D N 2.223 122.038 120.400 -0.976 0.000 2.970 677 D HA 0.339 4.978 4.640 -0.001 0.000 0.230 677 D C -0.199 175.753 176.300 -0.581 0.000 1.276 677 D CA -0.426 53.051 54.000 -0.872 0.000 0.910 677 D CB 1.103 41.553 40.800 -0.582 0.000 1.590 677 D HN 0.246 nan 8.370 nan 0.000 0.551 678 F N 2.001 121.871 119.950 -0.133 0.000 2.473 678 F HA 0.212 4.739 4.527 -0.001 0.000 0.294 678 F C 2.150 177.941 175.800 -0.015 0.000 1.103 678 F CA 0.162 58.136 58.000 -0.044 0.000 1.442 678 F CB -0.226 38.755 39.000 -0.032 0.000 1.097 678 F HN 0.279 nan 8.300 nan 0.000 0.547 679 K N 0.895 121.354 120.400 0.100 0.000 2.152 679 K HA -0.213 4.107 4.320 -0.001 0.000 0.206 679 K C 1.950 178.534 176.600 -0.027 0.000 1.048 679 K CA 1.223 57.543 56.287 0.055 0.000 0.933 679 K CB -0.281 32.240 32.500 0.036 0.000 0.721 679 K HN 0.182 nan 8.250 nan 0.000 0.447 680 K N 0.160 120.479 120.400 -0.135 0.000 2.360 680 K HA -0.156 4.164 4.320 -0.001 0.000 0.201 680 K C -0.192 176.114 176.600 -0.490 0.000 1.046 680 K CA 1.142 57.227 56.287 -0.336 0.000 0.940 680 K CB 0.149 32.371 32.500 -0.463 0.000 0.748 680 K HN 0.107 nan 8.250 nan 0.000 0.465 681 Y N -0.477 119.834 120.300 0.018 0.000 2.558 681 Y HA 0.244 4.793 4.550 -0.001 0.000 0.316 681 Y C -0.860 175.062 175.900 0.035 0.000 0.967 681 Y CA -1.119 56.993 58.100 0.020 0.000 1.126 681 Y CB 0.576 39.046 38.460 0.017 0.000 1.155 681 Y HN 0.002 nan 8.280 nan 0.000 0.628 682 N N 0.983 119.771 118.700 0.147 0.000 2.861 682 N HA 0.069 4.809 4.740 -0.001 0.000 0.203 682 N C -1.159 174.389 175.510 0.064 0.000 1.339 682 N CA 0.060 53.174 53.050 0.106 0.000 1.208 682 N CB 0.094 38.652 38.487 0.118 0.000 1.579 682 N HN 0.253 nan 8.380 nan 0.000 0.583 683 D N 1.826 122.257 120.400 0.051 0.000 2.751 683 D HA -0.230 4.410 4.640 -0.001 0.000 0.233 683 D C -0.262 176.051 176.300 0.021 0.000 1.149 683 D CA 1.295 55.311 54.000 0.028 0.000 0.682 683 D CB -0.454 40.355 40.800 0.015 0.000 1.068 683 D HN 0.768 nan 8.370 nan 0.000 0.429 684 K N -2.214 118.197 120.400 0.017 0.000 3.274 684 K HA -0.236 4.084 4.320 -0.001 0.000 0.305 684 K C 0.432 177.048 176.600 0.026 0.000 1.225 684 K CA 0.938 57.230 56.287 0.010 0.000 0.904 684 K CB -0.977 31.523 32.500 0.001 0.000 1.227 684 K HN 0.447 nan 8.250 nan 0.000 0.453 685 L N 1.090 122.336 121.223 0.039 0.000 2.325 685 L HA 0.437 4.776 4.340 -0.001 0.000 0.278 685 L C -1.650 175.266 176.870 0.077 0.000 1.023 685 L CA -2.451 52.418 54.840 0.049 0.000 0.811 685 L CB 1.014 43.094 42.059 0.034 0.000 1.249 685 L HN -0.178 nan 8.230 nan 0.000 0.431 686 P HA -0.003 nan 4.420 nan 0.000 0.272 686 P C -0.175 177.197 177.300 0.120 0.000 1.248 686 P CA -0.348 62.824 63.100 0.120 0.000 0.799 686 P CB 0.672 32.436 31.700 0.107 0.000 0.997 687 L N -0.526 120.763 121.223 0.110 0.000 2.503 687 L HA -0.055 4.284 4.340 -0.001 0.000 0.287 687 L C 0.678 177.628 176.870 0.135 0.000 1.252 687 L CA 0.373 55.252 54.840 0.064 0.000 0.835 687 L CB -0.492 41.530 42.059 -0.062 0.000 1.099 687 L HN 0.425 nan 8.230 nan 0.000 0.516 688 Y N 2.943 123.236 120.300 -0.011 0.000 2.447 688 Y HA 0.473 5.022 4.550 -0.001 0.000 0.325 688 Y C -0.410 175.487 175.900 -0.006 0.000 0.976 688 Y CA -1.021 57.079 58.100 0.000 0.000 1.280 688 Y CB 0.578 39.047 38.460 0.016 0.000 1.104 688 Y HN 0.291 nan 8.280 nan 0.000 0.486 689 I N 5.546 125.921 120.570 -0.325 0.000 2.361 689 I HA 0.142 4.312 4.170 -0.001 0.000 0.282 689 I C 1.131 176.911 176.117 -0.562 0.000 1.075 689 I CA -0.204 60.851 61.300 -0.407 0.000 1.205 689 I CB 1.146 39.008 38.000 -0.230 0.000 1.406 689 I HN 0.653 nan 8.210 nan 0.000 0.481 690 S N 4.162 119.387 115.700 -0.792 0.000 2.423 690 S HA -0.051 4.418 4.470 -0.001 0.000 0.231 690 S C 0.898 175.241 174.600 -0.428 0.000 1.014 690 S CA 1.114 58.972 58.200 -0.569 0.000 0.965 690 S CB -0.004 62.939 63.200 -0.428 0.000 0.785 690 S HN 0.695 nan 8.310 nan 0.000 0.495 691 N N 0.609 118.900 118.700 -0.680 0.000 2.581 691 N HA 0.268 5.007 4.740 -0.001 0.000 0.279 691 N C -3.118 171.978 175.510 -0.689 0.000 1.124 691 N CA -1.587 51.062 53.050 -0.669 0.000 0.833 691 N CB 1.983 40.019 38.487 -0.752 0.000 1.338 691 N HN 0.057 nan 8.380 nan 0.000 0.533 692 P HA 0.161 nan 4.420 nan 0.000 0.246 692 P C -0.740 176.559 177.300 -0.002 0.000 1.675 692 P CA 0.212 63.221 63.100 -0.153 0.000 0.908 692 P CB -0.426 31.238 31.700 -0.060 0.000 1.890 693 N N -1.873 116.777 118.700 -0.083 0.000 2.081 693 N HA 0.121 4.860 4.740 -0.001 0.000 0.230 693 N C 0.302 175.943 175.510 0.219 0.000 1.351 693 N CA -0.291 52.830 53.050 0.118 0.000 0.840 693 N CB 0.127 38.643 38.487 0.047 0.000 1.189 693 N HN 0.242 nan 8.380 nan 0.000 0.503 694 Y N 1.216 121.525 120.300 0.016 0.000 2.557 694 Y HA 0.326 4.876 4.550 -0.001 0.000 0.436 694 Y C 0.384 176.267 175.900 -0.029 0.000 1.403 694 Y CA -0.611 57.479 58.100 -0.016 0.000 1.960 694 Y CB 0.599 39.031 38.460 -0.046 0.000 1.785 694 Y HN -0.381 nan 8.280 nan 0.000 0.640 695 K N 0.756 121.240 120.400 0.141 0.000 2.705 695 K HA 0.257 4.576 4.320 -0.001 0.000 0.238 695 K C -1.702 174.891 176.600 -0.012 0.000 0.996 695 K CA -0.368 55.933 56.287 0.024 0.000 1.007 695 K CB 1.793 34.292 32.500 -0.002 0.000 1.206 695 K HN 0.211 nan 8.250 nan 0.000 0.488 696 V N 3.626 123.527 119.914 -0.022 0.000 2.382 696 V HA -0.037 4.083 4.120 -0.001 0.000 0.250 696 V C 0.130 176.197 176.094 -0.045 0.000 1.069 696 V CA -0.054 62.210 62.300 -0.061 0.000 1.130 696 V CB -0.759 31.010 31.823 -0.090 0.000 1.165 696 V HN 0.602 nan 8.190 nan 0.000 0.483 697 N N 4.204 122.820 118.700 -0.140 0.000 2.415 697 N HA 0.239 4.979 4.740 -0.001 0.000 0.246 697 N C -0.537 174.671 175.510 -0.503 0.000 1.078 697 N CA -0.107 52.767 53.050 -0.294 0.000 0.942 697 N CB 1.912 40.191 38.487 -0.347 0.000 1.140 697 N HN 0.363 nan 8.380 nan 0.000 0.501 698 V N 4.588 124.330 119.914 -0.287 0.000 2.311 698 V HA 0.282 4.402 4.120 -0.001 0.000 0.275 698 V C -0.410 175.586 176.094 -0.165 0.000 1.022 698 V CA -0.664 61.516 62.300 -0.201 0.000 0.830 698 V CB -0.278 31.537 31.823 -0.013 0.000 1.012 698 V HN 0.408 nan 8.190 nan 0.000 0.452 699 Y N 2.489 122.864 120.300 0.126 0.000 2.408 699 Y HA 0.792 5.342 4.550 -0.001 0.000 0.324 699 Y C 0.597 176.655 175.900 0.263 0.000 1.302 699 Y CA -1.174 57.000 58.100 0.124 0.000 1.384 699 Y CB 0.983 39.497 38.460 0.090 0.000 1.367 699 Y HN 0.622 nan 8.280 nan 0.000 0.525 700 A N 0.164 123.229 122.820 0.409 0.000 2.386 700 A HA 0.780 5.099 4.320 -0.001 0.000 0.311 700 A C -1.749 175.929 177.584 0.156 0.000 1.068 700 A CA -0.702 51.573 52.037 0.397 0.000 0.743 700 A CB 1.099 20.306 19.000 0.345 0.000 1.258 700 A HN 0.459 nan 8.150 nan 0.000 0.429 701 V N 2.570 122.513 119.914 0.047 0.000 2.376 701 V HA 0.426 4.545 4.120 -0.001 0.000 0.287 701 V C 0.606 176.685 176.094 -0.025 0.000 1.015 701 V CA -0.252 62.056 62.300 0.015 0.000 0.834 701 V CB 1.259 33.099 31.823 0.028 0.000 1.001 701 V HN 1.107 nan 8.190 nan 0.000 0.428 702 T N 1.529 116.073 114.554 -0.018 0.000 2.900 702 T HA 0.205 4.555 4.350 -0.001 0.000 0.307 702 T C 1.141 175.819 174.700 -0.038 0.000 1.065 702 T CA -0.277 61.807 62.100 -0.026 0.000 1.105 702 T CB 1.057 69.904 68.868 -0.035 0.000 0.979 702 T HN 0.600 nan 8.240 nan 0.000 0.544 703 K N 1.105 121.480 120.400 -0.043 0.000 2.020 703 K HA -0.217 4.103 4.320 -0.001 0.000 0.212 703 K C 2.484 179.052 176.600 -0.052 0.000 1.050 703 K CA 2.159 58.412 56.287 -0.057 0.000 0.929 703 K CB -0.305 32.164 32.500 -0.051 0.000 0.714 703 K HN 0.948 nan 8.250 nan 0.000 0.443 704 E N 0.754 120.937 120.200 -0.029 0.000 2.187 704 E HA -0.257 4.092 4.350 -0.001 0.000 0.199 704 E C 1.488 178.076 176.600 -0.019 0.000 1.004 704 E CA 1.483 57.877 56.400 -0.010 0.000 0.813 704 E CB -0.205 29.510 29.700 0.025 0.000 0.736 704 E HN 0.291 nan 8.360 nan 0.000 0.468 705 N N 0.502 119.186 118.700 -0.027 0.000 2.349 705 N HA -0.052 4.687 4.740 -0.001 0.000 0.180 705 N C 0.748 176.234 175.510 -0.041 0.000 1.024 705 N CA 0.973 54.006 53.050 -0.028 0.000 0.869 705 N CB -0.450 38.025 38.487 -0.021 0.000 1.022 705 N HN 0.148 nan 8.380 nan 0.000 0.433 706 T N 2.228 116.754 114.554 -0.048 0.000 2.902 706 T HA 0.043 4.392 4.350 -0.001 0.000 0.317 706 T C 0.487 175.126 174.700 -0.102 0.000 1.064 706 T CA 0.114 62.180 62.100 -0.056 0.000 1.130 706 T CB -0.139 68.677 68.868 -0.086 0.000 1.073 706 T HN 0.166 nan 8.240 nan 0.000 0.524 707 I N 2.537 123.061 120.570 -0.076 0.000 2.707 707 I HA 0.558 4.728 4.170 -0.001 0.000 0.309 707 I C 0.479 176.481 176.117 -0.192 0.000 1.001 707 I CA -1.153 60.059 61.300 -0.146 0.000 1.129 707 I CB 1.663 39.580 38.000 -0.138 0.000 1.308 707 I HN 0.565 nan 8.210 nan 0.000 0.466 708 I N -0.532 119.847 120.570 -0.319 0.000 4.526 708 I HA 0.474 4.644 4.170 -0.001 0.000 0.330 708 I C -0.333 175.398 176.117 -0.644 0.000 1.323 708 I CA -0.148 60.978 61.300 -0.290 0.000 1.218 708 I CB -0.752 37.122 38.000 -0.209 0.000 1.233 708 I HN 0.604 nan 8.210 nan 0.000 0.430 709 N N 0.579 118.812 118.700 -0.778 0.000 2.329 709 N HA 0.624 5.364 4.740 -0.001 0.000 0.282 709 N C -2.809 172.354 175.510 -0.578 0.000 1.198 709 N CA -1.260 51.366 53.050 -0.708 0.000 0.790 709 N CB 1.621 39.898 38.487 -0.350 0.000 1.579 709 N HN -0.201 nan 8.380 nan 0.000 0.475 710 P HA 0.112 nan 4.420 nan 0.000 0.270 710 P C -0.394 176.861 177.300 -0.075 0.000 1.227 710 P CA 0.044 63.122 63.100 -0.037 0.000 0.788 710 P CB 0.481 32.228 31.700 0.079 0.000 0.926 711 S N 0.724 116.406 115.700 -0.030 0.000 2.641 711 S HA 0.015 4.484 4.470 -0.001 0.000 0.261 711 S C 1.408 175.992 174.600 -0.027 0.000 1.257 711 S CA -0.578 57.601 58.200 -0.036 0.000 0.983 711 S CB 0.070 63.260 63.200 -0.018 0.000 0.990 711 S HN 0.450 nan 8.310 nan 0.000 0.572 712 E N 1.330 121.514 120.200 -0.026 0.000 2.279 712 E HA -0.232 4.117 4.350 -0.001 0.000 0.205 712 E C 1.070 177.663 176.600 -0.011 0.000 1.028 712 E CA 1.841 58.228 56.400 -0.020 0.000 0.830 712 E CB -0.583 29.107 29.700 -0.017 0.000 0.736 712 E HN 0.675 nan 8.360 nan 0.000 0.478 713 N N -0.876 117.821 118.700 -0.005 0.000 1.746 713 N HA 0.157 4.896 4.740 -0.001 0.000 0.227 713 N C 1.169 176.684 175.510 0.009 0.000 1.154 713 N CA 0.604 53.655 53.050 0.002 0.000 1.033 713 N CB -0.512 37.978 38.487 0.004 0.000 1.387 713 N HN -0.010 nan 8.380 nan 0.000 0.443 714 G N -1.545 107.265 108.800 0.016 0.000 5.021 714 G HA2 0.143 4.103 3.960 -0.001 0.000 0.254 714 G HA3 0.143 4.103 3.960 -0.001 0.000 0.254 714 G C -1.183 173.740 174.900 0.039 0.000 0.932 714 G CA -0.327 44.790 45.100 0.028 0.000 0.743 714 G HN 0.240 nan 8.290 nan 0.000 0.441 715 D N 2.121 122.544 120.400 0.038 0.000 2.429 715 D HA 0.125 4.764 4.640 -0.001 0.000 0.253 715 D C 1.698 178.054 176.300 0.095 0.000 1.294 715 D CA 0.375 54.403 54.000 0.046 0.000 1.063 715 D CB 1.044 41.862 40.800 0.031 0.000 1.096 715 D HN 0.312 nan 8.370 nan 0.000 0.516 716 T N -1.779 112.829 114.554 0.090 0.000 3.272 716 T HA 0.080 4.430 4.350 -0.001 0.000 0.250 716 T C 0.840 175.579 174.700 0.064 0.000 1.082 716 T CA -0.610 61.563 62.100 0.122 0.000 0.968 716 T CB -0.161 68.699 68.868 -0.013 0.000 1.015 716 T HN 0.159 nan 8.240 nan 0.000 0.563 717 S N 0.844 116.584 115.700 0.068 0.000 2.707 717 S HA 0.410 4.879 4.470 -0.001 0.000 0.276 717 S C 1.036 175.676 174.600 0.067 0.000 1.179 717 S CA -0.156 58.069 58.200 0.040 0.000 0.992 717 S CB 1.139 64.354 63.200 0.026 0.000 1.030 717 S HN 0.410 nan 8.310 nan 0.000 0.554 718 T N -1.796 112.787 114.554 0.049 0.000 3.278 718 T HA 0.161 4.510 4.350 -0.001 0.000 0.251 718 T C 1.021 175.748 174.700 0.045 0.000 1.039 718 T CA -0.061 62.075 62.100 0.061 0.000 0.935 718 T CB -0.780 68.128 68.868 0.067 0.000 1.034 718 T HN 0.603 nan 8.240 nan 0.000 0.575 719 N N 2.785 121.505 118.700 0.034 0.000 1.997 719 N HA -0.023 4.717 4.740 -0.001 0.000 0.198 719 N C 1.370 176.886 175.510 0.009 0.000 1.063 719 N CA 1.691 54.753 53.050 0.019 0.000 0.860 719 N CB -0.848 37.648 38.487 0.015 0.000 1.063 719 N HN 0.502 nan 8.380 nan 0.000 0.424 720 G N 0.344 109.149 108.800 0.008 0.000 2.916 720 G HA2 0.451 4.410 3.960 -0.001 0.000 0.280 720 G HA3 0.451 4.410 3.960 -0.001 0.000 0.280 720 G C -0.570 174.328 174.900 -0.004 0.000 0.758 720 G CA -0.163 44.935 45.100 -0.003 0.000 1.993 720 G HN 0.339 nan 8.290 nan 0.000 0.564 721 I N -0.266 120.299 120.570 -0.008 0.000 3.095 721 I HA 0.406 4.576 4.170 -0.001 0.000 0.310 721 I C -0.312 175.788 176.117 -0.030 0.000 1.196 721 I CA -1.100 60.194 61.300 -0.009 0.000 0.985 721 I CB 3.041 41.050 38.000 0.014 0.000 1.250 721 I HN 0.117 nan 8.210 nan 0.000 0.446 722 K N 4.358 124.739 120.400 -0.031 0.000 2.602 722 K HA 0.238 4.558 4.320 -0.001 0.000 0.201 722 K C -0.410 176.159 176.600 -0.052 0.000 1.070 722 K CA -0.621 55.638 56.287 -0.047 0.000 1.026 722 K CB 0.375 32.855 32.500 -0.034 0.000 1.534 722 K HN 0.454 nan 8.250 nan 0.000 0.560 723 K N 2.257 122.609 120.400 -0.081 0.000 2.117 723 K HA 0.348 4.667 4.320 -0.001 0.000 0.240 723 K C -0.297 176.238 176.600 -0.109 0.000 1.031 723 K CA -0.372 55.878 56.287 -0.062 0.000 0.909 723 K CB 0.856 33.335 32.500 -0.035 0.000 1.097 723 K HN 0.286 nan 8.250 nan 0.000 0.492 724 I N 0.990 121.545 120.570 -0.025 0.000 2.533 724 I HA 0.222 4.392 4.170 -0.001 0.000 0.290 724 I C -0.261 175.916 176.117 0.099 0.000 1.056 724 I CA -1.188 60.099 61.300 -0.022 0.000 1.057 724 I CB 2.147 40.139 38.000 -0.015 0.000 1.240 724 I HN 0.505 nan 8.210 nan 0.000 0.423 725 L N 6.111 127.394 121.223 0.100 0.000 2.562 725 L HA 0.085 4.425 4.340 -0.001 0.000 0.271 725 L C 0.120 177.066 176.870 0.127 0.000 1.167 725 L CA 0.578 55.579 54.840 0.269 0.000 0.917 725 L CB 0.444 42.608 42.059 0.176 0.000 1.187 725 L HN 0.633 nan 8.230 nan 0.000 0.482 726 I N 5.487 126.135 120.570 0.131 0.000 4.244 726 I HA 0.281 4.451 4.170 -0.001 0.000 0.318 726 I C -0.149 176.070 176.117 0.170 0.000 1.282 726 I CA 0.366 61.676 61.300 0.018 0.000 1.276 726 I CB 0.345 38.239 38.000 -0.175 0.000 1.183 726 I HN 0.428 nan 8.210 nan 0.000 0.431 727 F N -0.648 119.275 119.950 -0.046 0.000 2.629 727 F HA 0.670 5.196 4.527 -0.001 0.000 0.316 727 F C -0.071 175.696 175.800 -0.056 0.000 1.081 727 F CA -0.963 57.007 58.000 -0.049 0.000 0.954 727 F CB 1.985 40.947 39.000 -0.063 0.000 1.337 727 F HN -0.363 nan 8.300 nan 0.000 0.474 728 S N 3.490 118.912 115.700 -0.464 0.000 2.927 728 S HA 0.251 4.721 4.470 -0.001 0.000 0.136 728 S C -1.658 172.708 174.600 -0.390 0.000 0.831 728 S CA -0.709 57.324 58.200 -0.278 0.000 0.882 728 S CB -0.407 62.711 63.200 -0.137 0.000 1.612 728 S HN 0.463 nan 8.310 nan 0.000 0.579 729 K N 1.813 121.939 120.400 -0.457 0.000 2.139 729 K HA 0.582 4.902 4.320 -0.001 0.000 0.243 729 K C 0.099 176.578 176.600 -0.202 0.000 0.983 729 K CA -0.845 55.226 56.287 -0.360 0.000 0.890 729 K CB 0.657 32.940 32.500 -0.361 0.000 1.090 729 K HN 0.300 nan 8.250 nan 0.000 0.445 730 K N 0.063 120.302 120.400 -0.268 0.000 2.102 730 K HA 0.187 4.507 4.320 -0.001 0.000 0.244 730 K C 1.529 178.010 176.600 -0.197 0.000 1.021 730 K CA -0.147 55.996 56.287 -0.240 0.000 0.913 730 K CB 0.482 32.696 32.500 -0.477 0.000 1.062 730 K HN 0.812 nan 8.250 nan 0.000 0.485 731 G N 0.578 109.352 108.800 -0.043 0.000 2.432 731 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 731 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 731 G C 1.191 176.104 174.900 0.022 0.000 1.135 731 G CA 1.066 46.157 45.100 -0.015 0.000 0.767 731 G HN 0.679 nan 8.290 nan 0.000 0.550 732 Y N -0.451 119.820 120.300 -0.049 0.000 2.511 732 Y HA 0.425 4.975 4.550 -0.001 0.000 0.279 732 Y C 1.541 177.431 175.900 -0.016 0.000 1.157 732 Y CA -0.230 57.848 58.100 -0.036 0.000 1.300 732 Y CB -0.142 38.295 38.460 -0.038 0.000 1.052 732 Y HN 0.227 nan 8.280 nan 0.000 0.529 733 E N 0.770 120.700 120.200 -0.449 0.000 2.349 733 E HA 0.283 4.633 4.350 -0.001 0.000 0.201 733 E C 0.360 176.889 176.600 -0.118 0.000 1.087 733 E CA 0.073 56.276 56.400 -0.329 0.000 1.128 733 E CB 0.078 29.498 29.700 -0.466 0.000 1.188 733 E HN 0.619 nan 8.360 nan 0.000 0.445 734 I N -1.612 118.930 120.570 -0.046 0.000 3.357 734 I HA 0.325 4.495 4.170 -0.001 0.000 0.267 734 I C 0.869 177.008 176.117 0.036 0.000 1.061 734 I CA -0.211 61.105 61.300 0.026 0.000 1.727 734 I CB 1.133 39.159 38.000 0.043 0.000 1.756 734 I HN 0.123 nan 8.210 nan 0.000 0.402 735 G N 0.000 108.818 108.800 0.030 0.000 5.446 735 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 735 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 735 G CA 0.000 45.121 45.100 0.035 0.000 0.502 735 G HN 0.000 nan 8.290 nan 0.000 0.925