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 1tzo_1_B 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 QDXXSSTPIT 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 0.000 174.686 174.700 -0.023 0.000 1.109 174 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 174 T CB 0.000 68.859 68.868 -0.014 0.000 0.612 175 V N 2.566 122.462 119.914 -0.030 0.000 2.529 175 V HA 0.305 4.425 4.120 0.000 0.000 0.292 175 V C -1.677 174.392 176.094 -0.042 0.000 1.028 175 V CA -1.031 61.247 62.300 -0.037 0.000 1.074 175 V CB 0.018 31.813 31.823 -0.048 0.000 0.958 175 V HN 0.515 nan 8.190 nan 0.000 0.481 176 P HA 0.240 nan 4.420 nan 0.000 0.266 176 P C -0.682 176.590 177.300 -0.048 0.000 1.215 176 P CA 0.165 63.245 63.100 -0.034 0.000 0.763 176 P CB 0.255 31.940 31.700 -0.024 0.000 0.806 177 D N 2.194 122.568 120.400 -0.044 0.000 2.381 177 D HA 0.122 4.762 4.640 0.000 0.000 0.245 177 D C 0.842 177.129 176.300 -0.023 0.000 1.297 177 D CA -0.384 53.585 54.000 -0.052 0.000 0.931 177 D CB 0.556 41.310 40.800 -0.077 0.000 1.334 177 D HN 0.046 nan 8.370 nan 0.000 0.535 178 R N 0.671 121.164 120.500 -0.012 0.000 2.092 178 R HA -0.091 4.249 4.340 0.000 0.000 0.231 178 R C 0.964 177.282 176.300 0.029 0.000 1.119 178 R CA 1.734 57.838 56.100 0.007 0.000 0.970 178 R CB 0.104 30.409 30.300 0.008 0.000 0.864 178 R HN 0.354 nan 8.270 nan 0.000 0.440 179 D N -0.845 119.576 120.400 0.036 0.000 2.317 179 D HA -0.131 4.509 4.640 0.000 0.000 0.211 179 D C 0.428 176.810 176.300 0.137 0.000 0.966 179 D CA 0.443 54.498 54.000 0.092 0.000 0.876 179 D CB -0.345 40.502 40.800 0.077 0.000 0.927 179 D HN 0.093 nan 8.370 nan 0.000 0.519 180 N N 0.139 118.877 118.700 0.063 0.000 2.741 180 N HA -0.244 4.496 4.740 0.000 0.000 0.251 180 N C 0.123 175.683 175.510 0.084 0.000 1.112 180 N CA 1.292 54.379 53.050 0.062 0.000 0.750 180 N CB -1.342 37.201 38.487 0.094 0.000 1.119 180 N HN 0.511 nan 8.380 nan 0.000 0.561 181 D N -2.466 117.942 120.400 0.012 0.000 2.123 181 D HA 0.156 4.796 4.640 0.000 0.000 0.200 181 D C 1.760 177.965 176.300 -0.158 0.000 0.976 181 D CA 1.885 55.823 54.000 -0.103 0.000 0.831 181 D CB -0.600 40.048 40.800 -0.253 0.000 0.974 181 D HN 0.593 nan 8.370 nan 0.000 0.469 182 G N -0.494 108.131 108.800 -0.292 0.000 2.813 182 G HA2 -0.111 3.850 3.960 0.000 0.000 0.194 182 G HA3 -0.111 3.850 3.960 0.000 0.000 0.194 182 G C 0.003 174.514 174.900 -0.648 0.000 1.010 182 G CA -0.125 44.640 45.100 -0.559 0.000 0.771 182 G HN 0.291 nan 8.290 nan 0.000 0.485 183 I N 3.350 123.600 120.570 -0.532 0.000 2.304 183 I HA 0.303 4.474 4.170 0.000 0.000 0.291 183 I C -2.186 173.734 176.117 -0.328 0.000 1.018 183 I CA -2.130 58.866 61.300 -0.506 0.000 1.260 183 I CB 1.766 39.402 38.000 -0.607 0.000 1.390 183 I HN -0.105 nan 8.210 nan 0.000 0.475 184 P HA -0.004 nan 4.420 nan 0.000 0.266 184 P C 0.085 177.312 177.300 -0.122 0.000 1.195 184 P CA -0.057 62.949 63.100 -0.157 0.000 0.768 184 P CB 0.614 32.241 31.700 -0.122 0.000 0.838 185 D N 1.640 121.996 120.400 -0.074 0.000 2.205 185 D HA -0.224 4.416 4.640 0.000 0.000 0.190 185 D C 1.985 178.276 176.300 -0.015 0.000 1.002 185 D CA 2.426 56.403 54.000 -0.038 0.000 0.848 185 D CB -1.176 39.612 40.800 -0.020 0.000 0.975 185 D HN 0.471 nan 8.370 nan 0.000 0.449 186 S N 1.205 116.902 115.700 -0.006 0.000 2.406 186 S HA -0.279 4.192 4.470 0.000 0.000 0.242 186 S C 2.308 176.939 174.600 0.051 0.000 1.079 186 S CA 1.582 59.794 58.200 0.020 0.000 1.133 186 S CB -1.134 62.074 63.200 0.014 0.000 1.005 186 S HN 0.307 nan 8.310 nan 0.000 0.443 187 L N 1.292 122.533 121.223 0.031 0.000 1.948 187 L HA -0.122 4.218 4.340 0.000 0.000 0.212 187 L C 3.043 180.045 176.870 0.219 0.000 1.074 187 L CA 2.107 57.009 54.840 0.103 0.000 0.753 187 L CB -0.828 41.195 42.059 -0.060 0.000 0.888 187 L HN 0.382 nan 8.230 nan 0.000 0.432 188 E N -0.373 119.845 120.200 0.031 0.000 2.208 188 E HA -0.239 4.111 4.350 0.000 0.000 0.202 188 E C 1.862 178.581 176.600 0.198 0.000 1.014 188 E CA 1.812 58.303 56.400 0.151 0.000 0.819 188 E CB 0.111 29.796 29.700 -0.024 0.000 0.735 188 E HN 0.326 nan 8.360 nan 0.000 0.469 189 V N -0.360 119.625 119.914 0.119 0.000 2.575 189 V HA -0.059 4.062 4.120 0.000 0.000 0.242 189 V C 1.816 177.962 176.094 0.086 0.000 1.045 189 V CA 1.600 63.952 62.300 0.086 0.000 1.065 189 V CB -0.242 31.613 31.823 0.054 0.000 0.717 189 V HN 0.163 nan 8.190 nan 0.000 0.467 190 E N 0.185 120.447 120.200 0.102 0.000 2.250 190 E HA 0.396 4.746 4.350 0.000 0.000 0.192 190 E C 0.928 177.592 176.600 0.106 0.000 0.986 190 E CA 0.722 57.179 56.400 0.095 0.000 0.849 190 E CB 0.524 30.280 29.700 0.094 0.000 0.797 190 E HN 0.604 nan 8.360 nan 0.000 0.482 191 G N 0.198 109.093 108.800 0.158 0.000 2.326 191 G HA2 0.209 4.169 3.960 0.000 0.000 0.478 191 G HA3 0.209 4.169 3.960 0.000 0.000 0.478 191 G C -1.423 173.629 174.900 0.253 0.000 1.551 191 G CA -0.614 44.539 45.100 0.088 0.000 0.946 191 G HN 0.142 nan 8.290 nan 0.000 0.671 192 Y N -2.333 118.013 120.300 0.077 0.000 2.895 192 Y HA 0.888 5.438 4.550 0.000 0.000 0.339 192 Y C -0.447 175.532 175.900 0.131 0.000 1.363 192 Y CA -0.694 57.493 58.100 0.146 0.000 1.085 192 Y CB 1.248 39.767 38.460 0.098 0.000 1.500 192 Y HN 1.466 nan 8.280 nan 0.000 0.442 193 T N 0.346 115.128 114.554 0.381 0.000 2.907 193 T HA 0.537 4.888 4.350 0.000 0.000 0.344 193 T C -2.270 172.619 174.700 0.316 0.000 1.675 193 T CA -0.576 61.706 62.100 0.304 0.000 1.076 193 T CB 1.178 70.099 68.868 0.088 0.000 1.483 193 T HN 0.870 nan 8.240 nan 0.000 0.487 194 V N 3.688 123.800 119.914 0.331 0.000 2.539 194 V HA 0.747 4.867 4.120 0.000 0.000 0.292 194 V C -0.130 176.075 176.094 0.185 0.000 1.045 194 V CA -0.302 62.146 62.300 0.246 0.000 0.945 194 V CB 1.641 33.596 31.823 0.221 0.000 0.993 194 V HN 0.970 nan 8.190 nan 0.000 0.464 195 D N 1.822 122.331 120.400 0.181 0.000 2.602 195 D HA 0.568 5.209 4.640 0.000 0.000 0.236 195 D C -1.110 175.288 176.300 0.164 0.000 1.209 195 D CA -0.357 53.741 54.000 0.164 0.000 0.831 195 D CB 2.511 43.417 40.800 0.177 0.000 1.478 195 D HN 0.463 nan 8.370 nan 0.000 0.438 196 V N 1.031 121.023 119.914 0.129 0.000 2.370 196 V HA 0.544 4.664 4.120 0.000 0.000 0.283 196 V C 0.938 177.106 176.094 0.123 0.000 1.023 196 V CA -0.708 61.648 62.300 0.094 0.000 0.857 196 V CB 1.115 32.971 31.823 0.056 0.000 0.985 196 V HN 0.615 nan 8.190 nan 0.000 0.443 197 K N 3.832 124.321 120.400 0.148 0.000 2.696 197 K HA 0.136 4.456 4.320 0.000 0.000 0.169 197 K C 1.464 178.125 176.600 0.101 0.000 1.126 197 K CA 0.325 56.725 56.287 0.189 0.000 1.251 197 K CB -0.041 32.663 32.500 0.339 0.000 1.753 197 K HN 0.769 nan 8.250 nan 0.000 0.480 198 N N 0.573 119.325 118.700 0.086 0.000 2.020 198 N HA -0.109 4.631 4.740 0.000 0.000 0.191 198 N C 1.263 176.791 175.510 0.030 0.000 1.089 198 N CA 1.376 54.458 53.050 0.053 0.000 0.879 198 N CB -0.130 38.384 38.487 0.045 0.000 1.057 198 N HN 0.223 nan 8.380 nan 0.000 0.428 199 K N 0.293 120.698 120.400 0.007 0.000 2.402 199 K HA 0.218 4.539 4.320 0.000 0.000 0.204 199 K C 0.022 176.602 176.600 -0.033 0.000 1.056 199 K CA -0.034 56.251 56.287 -0.003 0.000 1.069 199 K CB 0.669 33.169 32.500 -0.001 0.000 0.888 199 K HN 0.123 nan 8.250 nan 0.000 0.546 200 R N 0.842 121.298 120.500 -0.074 0.000 2.543 200 R HA 0.284 4.624 4.340 0.000 0.000 0.268 200 R C 0.345 176.524 176.300 -0.201 0.000 1.067 200 R CA -0.169 55.829 56.100 -0.169 0.000 1.142 200 R CB 0.231 30.360 30.300 -0.284 0.000 1.110 200 R HN 0.001 nan 8.270 nan 0.000 0.549 201 T N -1.527 112.881 114.554 -0.242 0.000 2.792 201 T HA 0.615 4.965 4.350 0.000 0.000 0.280 201 T C -0.743 173.824 174.700 -0.222 0.000 0.990 201 T CA -0.633 61.383 62.100 -0.139 0.000 0.960 201 T CB 0.389 69.241 68.868 -0.026 0.000 0.939 201 T HN 0.177 nan 8.240 nan 0.000 0.439 202 F N 2.669 122.670 119.950 0.086 0.000 2.443 202 F HA 0.575 5.102 4.527 0.001 0.000 0.335 202 F C -0.120 175.739 175.800 0.098 0.000 1.104 202 F CA -1.750 56.300 58.000 0.084 0.000 1.013 202 F CB 1.888 40.935 39.000 0.080 0.000 1.136 202 F HN 0.509 nan 8.300 nan 0.000 0.470 203 L N 3.808 125.218 121.223 0.312 0.000 2.270 203 L HA 0.484 4.824 4.340 0.000 0.000 0.286 203 L C -0.193 176.789 176.870 0.187 0.000 1.059 203 L CA 0.271 55.232 54.840 0.201 0.000 0.839 203 L CB 0.161 42.258 42.059 0.064 0.000 1.221 203 L HN 0.501 nan 8.230 nan 0.000 0.431 204 S N 6.370 122.202 115.700 0.221 0.000 2.648 204 S HA 0.803 5.273 4.470 0.000 0.000 0.305 204 S C -2.736 172.031 174.600 0.279 0.000 1.094 204 S CA -1.563 56.764 58.200 0.213 0.000 0.983 204 S CB 1.576 64.921 63.200 0.242 0.000 1.101 204 S HN 0.542 nan 8.310 nan 0.000 0.514 205 P HA 0.104 nan 4.420 nan 0.000 0.276 205 P C -0.423 177.146 177.300 0.448 0.000 1.252 205 P CA -0.630 62.665 63.100 0.325 0.000 0.802 205 P CB 0.399 32.228 31.700 0.214 0.000 1.035 206 W N 2.439 123.836 121.300 0.163 0.000 2.193 206 W HA 0.138 4.798 4.660 0.000 0.000 0.338 206 W C -0.727 175.933 176.519 0.235 0.000 1.310 206 W CA -0.053 57.407 57.345 0.192 0.000 1.243 206 W CB 0.451 29.954 29.460 0.071 0.000 1.165 206 W HN 0.146 nan 8.180 nan 0.000 0.566 207 I N 5.646 125.960 120.570 -0.428 0.000 2.719 207 I HA -0.054 4.116 4.170 0.000 0.000 0.275 207 I C 1.096 176.710 176.117 -0.839 0.000 1.228 207 I CA -0.414 60.551 61.300 -0.558 0.000 1.035 207 I CB 0.615 38.216 38.000 -0.666 0.000 1.286 207 I HN 0.430 nan 8.210 nan 0.000 0.531 208 S N 3.046 118.322 115.700 -0.708 0.000 2.421 208 S HA -0.226 4.244 4.470 0.000 0.000 0.239 208 S C 1.690 176.101 174.600 -0.315 0.000 1.054 208 S CA 1.733 59.672 58.200 -0.435 0.000 1.035 208 S CB -0.073 63.054 63.200 -0.122 0.000 0.840 208 S HN 0.620 nan 8.310 nan 0.000 0.475 209 N N 1.802 120.323 118.700 -0.299 0.000 2.030 209 N HA -0.050 4.690 4.740 0.000 0.000 0.194 209 N C 1.995 177.358 175.510 -0.245 0.000 1.074 209 N CA 1.777 54.694 53.050 -0.222 0.000 0.860 209 N CB -0.693 37.676 38.487 -0.196 0.000 1.055 209 N HN 0.589 nan 8.380 nan 0.000 0.429 210 I N -1.211 119.164 120.570 -0.325 0.000 2.439 210 I HA -0.094 4.076 4.170 0.000 0.000 0.251 210 I C 2.013 177.968 176.117 -0.269 0.000 1.139 210 I CA 1.287 62.412 61.300 -0.292 0.000 1.438 210 I CB -0.409 37.397 38.000 -0.324 0.000 1.085 210 I HN 0.055 nan 8.210 nan 0.000 0.427 211 H N 1.517 120.360 119.070 -0.379 0.000 2.284 211 H HA -0.091 4.466 4.556 0.001 0.000 0.304 211 H C 2.058 177.229 175.328 -0.262 0.000 1.069 211 H CA 1.942 57.732 56.048 -0.429 0.000 1.327 211 H CB -0.541 28.625 29.762 -0.994 0.000 1.387 211 H HN 0.484 nan 8.280 nan 0.000 0.498 212 E N 1.287 121.377 120.200 -0.185 0.000 2.208 212 E HA -0.228 4.122 4.350 0.000 0.000 0.202 212 E C 1.765 178.405 176.600 0.067 0.000 1.014 212 E CA 1.420 57.868 56.400 0.080 0.000 0.819 212 E CB 0.141 29.887 29.700 0.077 0.000 0.735 212 E HN 0.400 nan 8.360 nan 0.000 0.469 213 K N 0.301 120.706 120.400 0.007 0.000 1.973 213 K HA -0.123 4.197 4.320 0.000 0.000 0.210 213 K C 2.181 178.807 176.600 0.042 0.000 1.045 213 K CA 1.541 57.838 56.287 0.016 0.000 0.937 213 K CB -0.157 32.334 32.500 -0.014 0.000 0.721 213 K HN 0.017 nan 8.250 nan 0.000 0.438 214 K N -0.471 119.960 120.400 0.052 0.000 2.228 214 K HA -0.161 4.159 4.320 0.000 0.000 0.205 214 K C 1.259 177.906 176.600 0.080 0.000 1.045 214 K CA 1.215 57.544 56.287 0.070 0.000 0.931 214 K CB -0.104 32.453 32.500 0.096 0.000 0.727 214 K HN 0.580 nan 8.250 nan 0.000 0.458 215 G N 0.231 109.090 108.800 0.099 0.000 2.184 215 G HA2 -0.209 3.752 3.960 0.000 0.000 0.206 215 G HA3 -0.209 3.752 3.960 0.000 0.000 0.206 215 G C 0.281 175.246 174.900 0.108 0.000 0.995 215 G CA -0.214 44.944 45.100 0.096 0.000 0.651 215 G HN 0.083 nan 8.290 nan 0.000 0.511 216 L N 0.520 121.833 121.223 0.150 0.000 2.332 216 L HA 0.435 4.775 4.340 0.000 0.000 0.219 216 L C 1.031 177.934 176.870 0.053 0.000 1.199 216 L CA 0.889 55.804 54.840 0.126 0.000 0.830 216 L CB -0.081 42.088 42.059 0.184 0.000 1.192 216 L HN 0.227 nan 8.230 nan 0.000 0.571 217 T N -0.762 113.645 114.554 -0.246 0.000 2.900 217 T HA 0.216 4.566 4.350 0.000 0.000 0.295 217 T C -0.493 173.485 174.700 -1.202 0.000 1.044 217 T CA -0.793 60.916 62.100 -0.653 0.000 0.995 217 T CB 1.785 70.169 68.868 -0.806 0.000 1.072 217 T HN 0.334 nan 8.240 nan 0.000 0.473 218 K N 2.584 122.160 120.400 -1.372 0.000 2.171 218 K HA 0.219 4.539 4.320 0.000 0.000 0.274 218 K C -1.065 174.951 176.600 -0.973 0.000 1.110 218 K CA -0.302 55.037 56.287 -1.580 0.000 0.952 218 K CB -0.093 31.479 32.500 -1.546 0.000 1.309 218 K HN 0.470 nan 8.250 nan 0.000 0.414 219 Y N 2.620 122.395 120.300 -0.876 0.000 2.316 219 Y HA 0.195 4.746 4.550 0.001 0.000 0.331 219 Y C 0.267 175.513 175.900 -1.090 0.000 1.083 219 Y CA -0.271 57.237 58.100 -0.987 0.000 1.206 219 Y CB 1.071 38.839 38.460 -1.154 0.000 1.195 219 Y HN 0.320 nan 8.280 nan 0.000 0.497 220 K N 2.710 122.869 120.400 -0.402 0.000 2.637 220 K HA 0.521 4.841 4.320 0.000 0.000 0.248 220 K C -1.016 175.596 176.600 0.021 0.000 0.971 220 K CA -0.299 55.897 56.287 -0.151 0.000 0.858 220 K CB 0.841 33.278 32.500 -0.105 0.000 1.170 220 K HN 0.795 nan 8.250 nan 0.000 0.443 221 S N 1.095 116.894 115.700 0.166 0.000 2.837 221 S HA 0.465 4.935 4.470 0.000 0.000 0.314 221 S C -0.406 174.255 174.600 0.102 0.000 1.098 221 S CA -0.822 57.456 58.200 0.130 0.000 0.903 221 S CB 1.373 64.660 63.200 0.145 0.000 1.310 221 S HN 0.394 nan 8.310 nan 0.000 0.581 222 S N 1.774 117.517 115.700 0.072 0.000 2.508 222 S HA 0.469 4.939 4.470 0.000 0.000 0.284 222 S C -1.849 172.774 174.600 0.039 0.000 1.192 222 S CA -1.955 56.277 58.200 0.053 0.000 1.070 222 S CB 1.076 64.305 63.200 0.048 0.000 1.004 222 S HN 0.569 nan 8.310 nan 0.000 0.493 223 P HA 0.075 nan 4.420 nan 0.000 0.231 223 P C 0.360 177.670 177.300 0.016 0.000 1.168 223 P CA 0.695 63.799 63.100 0.008 0.000 0.779 223 P CB 0.197 31.901 31.700 0.007 0.000 0.844 224 E N -0.356 119.862 120.200 0.030 0.000 2.481 224 E HA 0.128 4.478 4.350 0.000 0.000 0.198 224 E C 0.276 176.914 176.600 0.063 0.000 1.027 224 E CA 0.119 56.542 56.400 0.039 0.000 0.900 224 E CB 0.354 30.072 29.700 0.031 0.000 0.993 224 E HN 0.334 nan 8.360 nan 0.000 0.482 225 K N -0.369 120.075 120.400 0.074 0.000 2.259 225 K HA 0.133 4.454 4.320 0.000 0.000 0.249 225 K C -0.416 176.283 176.600 0.165 0.000 0.942 225 K CA -0.713 55.643 56.287 0.116 0.000 0.816 225 K CB 1.685 34.242 32.500 0.095 0.000 1.155 225 K HN -0.071 nan 8.250 nan 0.000 0.428 226 W N 1.886 123.199 121.300 0.021 0.000 2.381 226 W HA -0.063 4.598 4.660 0.002 0.000 0.321 226 W C 0.867 177.418 176.519 0.053 0.000 1.196 226 W CA 1.405 58.772 57.345 0.036 0.000 1.304 226 W CB 0.202 29.680 29.460 0.030 0.000 1.166 226 W HN 0.383 nan 8.180 nan 0.000 0.473 227 S N -0.490 115.384 115.700 0.290 0.000 2.566 227 S HA 0.247 4.718 4.470 0.000 0.000 0.324 227 S C 0.664 175.341 174.600 0.129 0.000 1.081 227 S CA -0.220 58.069 58.200 0.149 0.000 1.105 227 S CB 1.146 64.493 63.200 0.245 0.000 0.981 227 S HN 0.100 nan 8.310 nan 0.000 0.464 228 T N 4.152 118.756 114.554 0.084 0.000 2.849 228 T HA -0.090 4.260 4.350 0.000 0.000 0.270 228 T C 1.973 176.717 174.700 0.073 0.000 1.066 228 T CA 1.519 63.665 62.100 0.077 0.000 1.130 228 T CB -0.225 68.685 68.868 0.070 0.000 0.864 228 T HN 0.735 nan 8.240 nan 0.000 0.481 229 A N 0.372 123.243 122.820 0.085 0.000 1.970 229 A HA 0.219 4.539 4.320 0.000 0.000 0.216 229 A C 1.952 179.571 177.584 0.058 0.000 1.170 229 A CA 1.355 53.432 52.037 0.068 0.000 0.645 229 A CB -0.104 18.952 19.000 0.094 0.000 0.816 229 A HN 0.360 nan 8.150 nan 0.000 0.447 230 S N -1.471 114.282 115.700 0.088 0.000 1.867 230 S HA -0.140 4.330 4.470 0.000 0.000 0.250 230 S C -0.006 174.640 174.600 0.077 0.000 1.187 230 S CA 0.506 58.751 58.200 0.074 0.000 1.221 230 S CB -1.898 61.322 63.200 0.034 0.000 1.506 230 S HN 0.978 nan 8.310 nan 0.000 0.582 231 D N 2.827 123.298 120.400 0.119 0.000 2.368 231 D HA 0.279 4.920 4.640 0.000 0.000 0.240 231 D C -1.342 174.973 176.300 0.024 0.000 1.169 231 D CA -1.106 52.973 54.000 0.131 0.000 0.906 231 D CB -0.022 40.978 40.800 0.333 0.000 1.187 231 D HN 0.184 nan 8.370 nan 0.000 0.435 232 P HA -0.114 nan 4.420 nan 0.000 0.261 232 P C -0.916 176.113 177.300 -0.451 0.000 1.288 232 P CA 0.566 63.363 63.100 -0.505 0.000 0.751 232 P CB -0.538 30.607 31.700 -0.927 0.000 1.103 233 Y N -0.043 120.380 120.300 0.205 0.000 2.326 233 Y HA 0.242 4.792 4.550 0.001 0.000 0.331 233 Y C 1.070 176.929 175.900 -0.068 0.000 0.962 233 Y CA -1.198 56.975 58.100 0.122 0.000 1.167 233 Y CB 1.209 39.696 38.460 0.046 0.000 1.148 233 Y HN -0.148 nan 8.280 nan 0.000 0.463 234 S N 1.025 116.479 115.700 -0.409 0.000 2.558 234 S HA -0.052 4.419 4.470 0.000 0.000 0.288 234 S C 0.749 175.119 174.600 -0.383 0.000 1.318 234 S CA -0.422 57.188 58.200 -0.983 0.000 1.056 234 S CB 0.751 62.887 63.200 -1.774 0.000 0.853 234 S HN 0.696 nan 8.310 nan 0.000 0.505 235 D N 1.499 121.723 120.400 -0.294 0.000 2.158 235 D HA -0.138 4.502 4.640 0.000 0.000 0.197 235 D C 1.313 177.555 176.300 -0.095 0.000 0.995 235 D CA 1.264 55.180 54.000 -0.140 0.000 0.846 235 D CB -0.340 40.405 40.800 -0.092 0.000 0.941 235 D HN 0.641 nan 8.370 nan 0.000 0.456 236 F N 2.019 121.776 119.950 -0.321 0.000 2.051 236 F HA -0.115 4.412 4.527 0.000 0.000 0.296 236 F C 2.196 177.884 175.800 -0.188 0.000 1.122 236 F CA 1.299 59.152 58.000 -0.246 0.000 1.201 236 F CB -0.713 38.148 39.000 -0.232 0.000 0.978 236 F HN -0.093 nan 8.300 nan 0.000 0.472 237 E N 0.243 120.264 120.200 -0.299 0.000 2.136 237 E HA -0.289 4.061 4.350 0.000 0.000 0.202 237 E C 2.136 178.540 176.600 -0.327 0.000 1.019 237 E CA 1.923 58.095 56.400 -0.381 0.000 0.819 237 E CB -0.122 29.454 29.700 -0.206 0.000 0.739 237 E HN 0.471 nan 8.360 nan 0.000 0.458 238 K N 0.103 120.368 120.400 -0.225 0.000 1.968 238 K HA -0.130 4.190 4.320 0.000 0.000 0.215 238 K C 2.382 178.837 176.600 -0.241 0.000 1.040 238 K CA 1.498 57.657 56.287 -0.212 0.000 0.959 238 K CB -0.606 31.794 32.500 -0.167 0.000 0.740 238 K HN 0.097 nan 8.250 nan 0.000 0.443 239 V N -0.317 119.415 119.914 -0.304 0.000 2.363 239 V HA -0.309 3.811 4.120 0.000 0.000 0.254 239 V C 2.244 178.248 176.094 -0.149 0.000 1.074 239 V CA 2.599 64.666 62.300 -0.389 0.000 1.069 239 V CB -1.365 30.184 31.823 -0.456 0.000 0.659 239 V HN 0.468 nan 8.190 nan 0.000 0.455 240 T N -0.604 113.870 114.554 -0.133 0.000 2.857 240 T HA 0.239 4.589 4.350 0.000 0.000 0.266 240 T C 1.571 176.166 174.700 -0.176 0.000 1.048 240 T CA 2.410 64.433 62.100 -0.128 0.000 1.139 240 T CB -0.505 68.166 68.868 -0.328 0.000 0.874 240 T HN 1.680 nan 8.240 nan 0.000 0.455 241 G N 0.997 109.649 108.800 -0.247 0.000 2.179 241 G HA2 -0.185 3.775 3.960 0.000 0.000 0.220 241 G HA3 -0.185 3.775 3.960 0.000 0.000 0.220 241 G C 0.300 174.990 174.900 -0.350 0.000 0.990 241 G CA -0.048 44.914 45.100 -0.229 0.000 0.646 241 G HN 0.572 nan 8.290 nan 0.000 0.517 242 R N 0.415 120.591 120.500 -0.539 0.000 3.701 242 R HA 0.675 5.015 4.340 0.000 0.000 0.210 242 R C 0.190 175.777 176.300 -1.189 0.000 1.598 242 R CA 0.202 55.695 56.100 -1.012 0.000 1.427 242 R CB 0.172 29.885 30.300 -0.978 0.000 1.339 242 R HN 0.530 nan 8.270 nan 0.000 0.720 243 I N -0.765 119.398 120.570 -0.679 0.000 3.181 243 I HA 0.169 4.340 4.170 0.000 0.000 0.311 243 I C -1.153 174.879 176.117 -0.142 0.000 1.287 243 I CA -1.093 60.003 61.300 -0.340 0.000 0.958 243 I CB 2.531 40.368 38.000 -0.271 0.000 1.294 243 I HN 0.145 nan 8.210 nan 0.000 0.467 244 D N 3.996 124.396 120.400 0.000 0.000 2.402 244 D HA -0.032 4.608 4.640 0.000 0.000 0.268 244 D C 0.862 177.160 176.300 -0.004 0.000 1.294 244 D CA 0.351 54.392 54.000 0.068 0.000 0.945 244 D CB 0.799 41.706 40.800 0.180 0.000 1.112 244 D HN 0.308 nan 8.370 nan 0.000 0.517 245 K N 3.208 123.613 120.400 0.009 0.000 2.366 245 K HA -0.164 4.157 4.320 0.000 0.000 0.202 245 K C 1.043 177.641 176.600 -0.004 0.000 1.045 245 K CA 0.556 56.835 56.287 -0.013 0.000 0.934 245 K CB -0.060 32.443 32.500 0.005 0.000 0.746 245 K HN 0.523 nan 8.250 nan 0.000 0.470 246 N N 0.621 119.344 118.700 0.037 0.000 2.457 246 N HA -0.063 4.677 4.740 0.000 0.000 0.180 246 N C 0.235 175.748 175.510 0.005 0.000 1.050 246 N CA 0.137 53.208 53.050 0.036 0.000 0.906 246 N CB 0.167 38.708 38.487 0.090 0.000 0.968 246 N HN -0.082 nan 8.380 nan 0.000 0.445 247 V N 2.085 121.972 119.914 -0.045 0.000 2.673 247 V HA -0.067 4.053 4.120 0.000 0.000 0.303 247 V C 0.822 176.872 176.094 -0.073 0.000 1.046 247 V CA 0.061 62.298 62.300 -0.105 0.000 1.126 247 V CB 0.803 32.438 31.823 -0.313 0.000 0.934 247 V HN 0.155 nan 8.190 nan 0.000 0.487 248 S N 6.854 122.526 115.700 -0.048 0.000 2.559 248 S HA 0.026 4.496 4.470 0.000 0.000 0.282 248 S C -1.374 173.208 174.600 -0.029 0.000 1.336 248 S CA -0.468 57.713 58.200 -0.032 0.000 1.037 248 S CB 0.626 63.810 63.200 -0.027 0.000 0.853 248 S HN 0.684 nan 8.310 nan 0.000 0.523 249 P HA -0.145 nan 4.420 nan 0.000 0.212 249 P C 1.699 179.011 177.300 0.020 0.000 1.180 249 P CA 0.866 63.969 63.100 0.005 0.000 0.906 249 P CB -0.046 31.665 31.700 0.019 0.000 0.782 250 E N 0.458 120.668 120.200 0.017 0.000 2.267 250 E HA -0.179 4.172 4.350 0.000 0.000 0.197 250 E C 1.566 178.176 176.600 0.017 0.000 0.998 250 E CA 1.783 58.191 56.400 0.014 0.000 0.830 250 E CB -1.128 28.552 29.700 -0.032 0.000 0.751 250 E HN 0.170 nan 8.360 nan 0.000 0.491 251 A N 0.918 123.742 122.820 0.007 0.000 2.238 251 A HA 0.112 4.432 4.320 0.000 0.000 0.208 251 A C 2.019 179.613 177.584 0.016 0.000 1.177 251 A CA 0.334 52.385 52.037 0.022 0.000 0.804 251 A CB -0.270 18.745 19.000 0.025 0.000 0.823 251 A HN 0.017 nan 8.150 nan 0.000 0.482 252 R N -0.021 120.484 120.500 0.009 0.000 2.280 252 R HA -0.013 4.327 4.340 0.000 0.000 0.207 252 R C 0.550 176.841 176.300 -0.015 0.000 1.043 252 R CA 0.392 56.471 56.100 -0.035 0.000 1.006 252 R CB -0.536 29.747 30.300 -0.029 0.000 0.885 252 R HN 0.625 nan 8.270 nan 0.000 0.467 253 H N -0.020 119.032 119.070 -0.030 0.000 2.562 253 H HA 0.165 4.721 4.556 0.000 0.000 0.314 253 H C -1.933 173.377 175.328 -0.029 0.000 1.079 253 H CA -2.577 53.470 56.048 -0.001 0.000 1.349 253 H CB 1.713 31.548 29.762 0.122 0.000 1.432 253 H HN -0.148 nan 8.280 nan 0.000 0.479 254 P HA -0.198 nan 4.420 nan 0.000 0.219 254 P C 0.962 178.401 177.300 0.231 0.000 1.151 254 P CA 1.492 64.629 63.100 0.062 0.000 0.850 254 P CB 0.223 31.866 31.700 -0.095 0.000 0.784 255 L N -2.410 119.116 121.223 0.506 0.000 2.741 255 L HA 0.150 4.490 4.340 0.000 0.000 0.237 255 L C 0.069 176.957 176.870 0.030 0.000 1.178 255 L CA -0.176 54.783 54.840 0.198 0.000 0.973 255 L CB 0.326 42.493 42.059 0.179 0.000 1.255 255 L HN -0.254 nan 8.230 nan 0.000 0.498 256 V N 1.264 121.215 119.914 0.061 0.000 2.284 256 V HA 0.408 4.529 4.120 0.000 0.000 0.274 256 V C 0.754 176.883 176.094 0.059 0.000 1.023 256 V CA -0.865 61.425 62.300 -0.016 0.000 0.808 256 V CB 1.291 33.075 31.823 -0.065 0.000 1.035 256 V HN 0.311 nan 8.190 nan 0.000 0.445 257 A N 4.191 127.039 122.820 0.047 0.000 2.591 257 A HA 0.409 4.729 4.320 0.000 0.000 0.244 257 A C 0.835 178.575 177.584 0.259 0.000 1.031 257 A CA 0.813 52.902 52.037 0.086 0.000 0.767 257 A CB 0.101 19.033 19.000 -0.113 0.000 0.942 257 A HN 1.468 nan 8.150 nan 0.000 0.514 258 A N 4.137 127.166 122.820 0.348 0.000 2.801 258 A HA 0.621 4.941 4.320 0.000 0.000 0.344 258 A C -0.205 177.797 177.584 0.697 0.000 1.322 258 A CA -0.524 51.766 52.037 0.422 0.000 0.913 258 A CB -0.365 18.800 19.000 0.274 0.000 1.140 258 A HN 1.247 nan 8.150 nan 0.000 0.487 259 Y N -0.104 120.342 120.300 0.245 0.000 2.665 259 Y HA 0.911 5.460 4.550 -0.000 0.000 0.336 259 Y C -3.211 172.565 175.900 -0.205 0.000 1.085 259 Y CA -3.298 54.842 58.100 0.066 0.000 1.096 259 Y CB 1.212 39.755 38.460 0.138 0.000 1.301 259 Y HN 0.226 nan 8.280 nan 0.000 0.493 260 P HA 0.520 nan 4.420 nan 0.000 0.283 260 P C -1.201 175.865 177.300 -0.390 0.000 1.271 260 P CA -0.530 62.256 63.100 -0.524 0.000 0.841 260 P CB 1.844 33.176 31.700 -0.613 0.000 1.122 261 I N 0.706 121.046 120.570 -0.384 0.000 2.586 261 I HA 0.255 4.425 4.170 0.000 0.000 0.281 261 I C -1.095 174.880 176.117 -0.237 0.000 1.145 261 I CA -0.707 60.459 61.300 -0.223 0.000 1.073 261 I CB 1.905 39.749 38.000 -0.259 0.000 1.238 261 I HN 0.020 nan 8.210 nan 0.000 0.461 262 V N 7.207 126.969 119.914 -0.253 0.000 2.487 262 V HA 0.621 4.741 4.120 0.000 0.000 0.298 262 V C -0.882 175.184 176.094 -0.045 0.000 1.028 262 V CA 0.011 62.151 62.300 -0.266 0.000 0.860 262 V CB 1.668 33.208 31.823 -0.472 0.000 0.991 262 V HN 0.842 nan 8.190 nan 0.000 0.427 263 H N 4.327 123.366 119.070 -0.051 0.000 2.824 263 H HA 0.863 5.419 4.556 0.000 0.000 0.345 263 H C -1.350 173.978 175.328 -0.000 0.000 1.252 263 H CA -1.134 54.913 56.048 -0.003 0.000 1.246 263 H CB 1.912 31.662 29.762 -0.020 0.000 1.908 263 H HN 0.417 nan 8.280 nan 0.000 0.601 264 V N 1.176 121.205 119.914 0.192 0.000 2.495 264 V HA 0.240 4.360 4.120 0.000 0.000 0.298 264 V C -0.561 175.601 176.094 0.113 0.000 1.031 264 V CA -0.724 61.574 62.300 -0.004 0.000 0.871 264 V CB 1.300 33.029 31.823 -0.156 0.000 0.988 264 V HN 0.876 nan 8.190 nan 0.000 0.432 265 D N 4.218 124.641 120.400 0.037 0.000 2.256 265 D HA 0.399 5.040 4.640 0.000 0.000 0.240 265 D C -0.488 175.830 176.300 0.029 0.000 1.062 265 D CA -0.416 53.646 54.000 0.104 0.000 0.832 265 D CB 1.720 42.636 40.800 0.193 0.000 1.135 265 D HN 0.553 nan 8.370 nan 0.000 0.484 266 M N 4.338 123.955 119.600 0.028 0.000 2.047 266 M HA 0.221 4.702 4.480 0.000 0.000 0.342 266 M C 0.631 176.940 176.300 0.015 0.000 1.058 266 M CA -0.302 55.000 55.300 0.003 0.000 0.991 266 M CB 0.765 33.364 32.600 -0.002 0.000 1.474 266 M HN 0.367 nan 8.290 nan 0.000 0.419 267 E N 2.699 122.903 120.200 0.007 0.000 2.051 267 E HA -0.133 4.217 4.350 0.000 0.000 0.192 267 E C -0.305 176.299 176.600 0.007 0.000 0.991 267 E CA 1.280 57.683 56.400 0.005 0.000 0.799 267 E CB 0.118 29.813 29.700 -0.009 0.000 0.748 267 E HN 0.843 nan 8.360 nan 0.000 0.449 268 N N -0.674 118.027 118.700 0.002 0.000 2.961 268 N HA 0.349 5.089 4.740 0.000 0.000 0.245 268 N C -1.010 174.498 175.510 -0.004 0.000 1.404 268 N CA -0.812 52.240 53.050 0.003 0.000 0.880 268 N CB 0.932 39.418 38.487 -0.002 0.000 1.461 268 N HN 0.052 nan 8.380 nan 0.000 0.510 269 I N -3.058 117.509 120.570 -0.006 0.000 3.206 269 I HA 0.757 4.927 4.170 0.000 0.000 0.313 269 I C -1.124 174.972 176.117 -0.035 0.000 1.103 269 I CA -1.330 59.960 61.300 -0.016 0.000 0.985 269 I CB 2.303 40.297 38.000 -0.011 0.000 1.240 269 I HN 0.595 nan 8.210 nan 0.000 0.464 270 I N 2.692 123.239 120.570 -0.038 0.000 2.611 270 I HA 0.436 4.606 4.170 0.000 0.000 0.287 270 I C -1.782 174.311 176.117 -0.040 0.000 1.184 270 I CA -0.425 60.845 61.300 -0.050 0.000 1.054 270 I CB 1.706 39.686 38.000 -0.034 0.000 1.257 270 I HN 0.548 nan 8.210 nan 0.000 0.435 271 L N 7.050 128.236 121.223 -0.061 0.000 2.334 271 L HA 0.716 5.056 4.340 0.000 0.000 0.276 271 L C -0.070 176.816 176.870 0.027 0.000 1.014 271 L CA -0.210 54.629 54.840 -0.002 0.000 0.815 271 L CB 1.964 44.021 42.059 -0.003 0.000 1.268 271 L HN 0.729 nan 8.230 nan 0.000 0.428 272 S N 0.862 116.607 115.700 0.075 0.000 2.843 272 S HA 0.565 5.035 4.470 0.000 0.000 0.301 272 S C -1.371 173.281 174.600 0.087 0.000 1.206 272 S CA -1.099 57.138 58.200 0.062 0.000 0.875 272 S CB 1.687 64.904 63.200 0.029 0.000 1.248 272 S HN 0.561 nan 8.310 nan 0.000 0.555 273 K N 0.804 121.237 120.400 0.055 0.000 2.235 273 K HA 0.432 4.752 4.320 0.000 0.000 0.266 273 K C -0.664 175.962 176.600 0.043 0.000 0.980 273 K CA -0.671 55.647 56.287 0.051 0.000 0.849 273 K CB 0.887 33.404 32.500 0.030 0.000 1.098 273 K HN 0.483 nan 8.250 nan 0.000 0.445 274 N N 3.054 121.784 118.700 0.050 0.000 2.412 274 N HA -0.098 4.642 4.740 0.000 0.000 0.258 274 N C -0.395 175.132 175.510 0.028 0.000 1.236 274 N CA 0.466 53.540 53.050 0.040 0.000 0.882 274 N CB 0.700 39.214 38.487 0.045 0.000 1.066 274 N HN 0.833 nan 8.380 nan 0.000 0.465 284 S N 0.550 116.251 115.700 0.000 0.000 2.468 284 S HA 0.360 4.831 4.470 0.000 0.000 0.190 284 S C 0.595 175.193 174.600 -0.003 0.000 1.445 284 S CA -0.212 57.987 58.200 -0.000 0.000 1.084 284 S CB 0.432 63.633 63.200 0.002 0.000 1.175 284 S HN 0.199 nan 8.310 nan 0.000 0.484 285 Q N 0.722 120.520 119.800 -0.004 0.000 2.245 285 Q HA 0.129 4.470 4.340 0.000 0.000 0.250 285 Q C 0.909 176.904 176.000 -0.009 0.000 0.830 285 Q CA 0.338 56.138 55.803 -0.006 0.000 0.950 285 Q CB 0.970 29.705 28.738 -0.005 0.000 1.124 285 Q HN 0.722 nan 8.270 nan 0.000 0.502 286 T N -2.705 111.843 114.554 -0.008 0.000 3.275 286 T HA 0.289 4.639 4.350 0.000 0.000 0.298 286 T C 0.605 175.299 174.700 -0.011 0.000 0.988 286 T CA -0.530 61.564 62.100 -0.011 0.000 0.936 286 T CB 0.339 69.203 68.868 -0.007 0.000 1.159 286 T HN -0.097 nan 8.240 nan 0.000 0.519 287 R N 2.762 123.255 120.500 -0.010 0.000 3.130 287 R HA 0.336 4.676 4.340 0.000 0.000 0.348 287 R C -0.117 176.174 176.300 -0.015 0.000 1.241 287 R CA -0.023 56.071 56.100 -0.009 0.000 1.141 287 R CB 0.064 30.363 30.300 -0.002 0.000 1.453 287 R HN 0.677 nan 8.270 nan 0.000 0.590 288 T N -2.305 112.231 114.554 -0.030 0.000 2.916 288 T HA 0.629 4.979 4.350 0.000 0.000 0.305 288 T C -0.021 174.627 174.700 -0.088 0.000 1.119 288 T CA -0.934 61.138 62.100 -0.046 0.000 1.008 288 T CB 1.947 70.794 68.868 -0.035 0.000 1.129 288 T HN 0.251 nan 8.240 nan 0.000 0.480 289 I N -0.238 120.248 120.570 -0.140 0.000 2.390 289 I HA 0.671 4.841 4.170 0.000 0.000 0.283 289 I C -0.228 175.766 176.117 -0.205 0.000 1.016 289 I CA -0.725 60.437 61.300 -0.230 0.000 1.151 289 I CB 1.700 39.420 38.000 -0.466 0.000 1.293 289 I HN 0.599 nan 8.210 nan 0.000 0.458 290 S N 6.479 122.098 115.700 -0.136 0.000 2.488 290 S HA 0.429 4.900 4.470 0.000 0.000 0.310 290 S C -0.338 174.215 174.600 -0.078 0.000 1.093 290 S CA -0.599 57.544 58.200 -0.095 0.000 1.129 290 S CB 0.052 63.217 63.200 -0.058 0.000 0.989 290 S HN 0.507 nan 8.310 nan 0.000 0.479 291 K N 3.368 123.720 120.400 -0.079 0.000 2.203 291 K HA 0.442 4.763 4.320 0.000 0.000 0.251 291 K C -0.222 176.386 176.600 0.014 0.000 0.944 291 K CA -0.796 55.480 56.287 -0.018 0.000 0.829 291 K CB 1.094 33.601 32.500 0.013 0.000 1.125 291 K HN 0.526 nan 8.250 nan 0.000 0.430 292 N N 0.238 118.959 118.700 0.035 0.000 2.317 292 N HA 0.271 5.011 4.740 0.000 0.000 0.245 292 N C -0.285 175.258 175.510 0.056 0.000 1.294 292 N CA 0.073 53.144 53.050 0.036 0.000 0.924 292 N CB 0.536 39.044 38.487 0.034 0.000 1.186 292 N HN 0.605 nan 8.380 nan 0.000 0.495 293 T N -3.892 110.688 114.554 0.045 0.000 2.883 293 T HA 0.661 5.012 4.350 0.000 0.000 0.301 293 T C -1.079 173.646 174.700 0.041 0.000 1.158 293 T CA -0.946 61.184 62.100 0.048 0.000 1.007 293 T CB 1.121 70.012 68.868 0.038 0.000 1.186 293 T HN 0.168 nan 8.240 nan 0.000 0.499 294 S N 1.525 117.248 115.700 0.039 0.000 2.640 294 S HA 0.643 5.113 4.470 0.000 0.000 0.320 294 S C -0.346 174.271 174.600 0.028 0.000 1.097 294 S CA -0.710 57.511 58.200 0.034 0.000 1.092 294 S CB 1.200 64.419 63.200 0.032 0.000 0.988 294 S HN 0.864 nan 8.310 nan 0.000 0.470 295 T N 2.757 117.334 114.554 0.038 0.000 2.895 295 T HA 0.780 5.130 4.350 0.000 0.000 0.283 295 T C -0.231 174.483 174.700 0.024 0.000 1.014 295 T CA -0.815 61.305 62.100 0.032 0.000 1.037 295 T CB 1.389 70.292 68.868 0.059 0.000 1.006 295 T HN 0.614 nan 8.240 nan 0.000 0.468 296 S N 1.188 116.866 115.700 -0.037 0.000 2.537 296 S HA 0.535 5.005 4.470 0.000 0.000 0.270 296 S C -0.897 173.567 174.600 -0.227 0.000 1.142 296 S CA -1.193 56.950 58.200 -0.095 0.000 0.870 296 S CB 1.455 64.621 63.200 -0.056 0.000 1.112 296 S HN 0.672 nan 8.310 nan 0.000 0.466 297 R N 1.701 121.977 120.500 -0.373 0.000 2.458 297 R HA 0.303 4.643 4.340 0.000 0.000 0.303 297 R C 0.447 176.638 176.300 -0.182 0.000 1.013 297 R CA 0.463 56.309 56.100 -0.422 0.000 1.026 297 R CB 0.187 30.243 30.300 -0.406 0.000 0.948 297 R HN 0.866 nan 8.270 nan 0.000 0.417 298 T N 0.380 114.865 114.554 -0.115 0.000 2.934 298 T HA 0.173 4.523 4.350 0.000 0.000 0.283 298 T C -0.117 174.620 174.700 0.061 0.000 1.005 298 T CA -0.621 61.461 62.100 -0.030 0.000 1.041 298 T CB 1.536 70.390 68.868 -0.024 0.000 1.042 298 T HN 0.733 nan 8.240 nan 0.000 0.505 299 H N 1.065 120.099 119.070 -0.061 0.000 2.716 299 H HA 0.306 4.862 4.556 0.000 0.000 0.230 299 H C 0.278 175.624 175.328 0.031 0.000 1.401 299 H CA -0.078 55.949 56.048 -0.036 0.000 1.168 299 H CB -0.493 29.201 29.762 -0.112 0.000 1.935 299 H HN 1.031 nan 8.280 nan 0.000 0.538 300 T N -0.966 113.568 114.554 -0.033 0.000 2.447 300 T HA -0.086 4.264 4.350 0.000 0.000 0.224 300 T C 0.641 175.332 174.700 -0.015 0.000 1.058 300 T CA 0.569 62.658 62.100 -0.019 0.000 1.224 300 T CB 0.231 69.086 68.868 -0.021 0.000 1.029 300 T HN 0.369 nan 8.240 nan 0.000 0.475 301 S N 2.376 118.103 115.700 0.045 0.000 2.690 301 S HA 0.333 4.803 4.470 0.000 0.000 0.291 301 S C 0.349 174.974 174.600 0.043 0.000 1.138 301 S CA -0.957 57.292 58.200 0.081 0.000 1.013 301 S CB 0.829 64.114 63.200 0.143 0.000 1.053 301 S HN 0.839 nan 8.310 nan 0.000 0.539 302 E N 0.556 120.773 120.200 0.028 0.000 2.468 302 E HA 0.057 4.408 4.350 0.000 0.000 0.263 302 E C 0.665 177.283 176.600 0.031 0.000 1.192 302 E CA 0.008 56.419 56.400 0.018 0.000 1.016 302 E CB 0.347 30.061 29.700 0.022 0.000 0.980 302 E HN 0.509 nan 8.360 nan 0.000 0.467 303 V N -0.902 119.007 119.914 -0.009 0.000 3.815 303 V HA 0.011 4.132 4.120 0.000 0.000 0.269 303 V C 1.047 177.215 176.094 0.123 0.000 0.928 303 V CA 0.123 62.412 62.300 -0.018 0.000 0.912 303 V CB -0.032 31.713 31.823 -0.129 0.000 1.227 303 V HN 0.720 nan 8.190 nan 0.000 0.404 304 H N 0.304 119.357 119.070 -0.027 0.000 2.716 304 H HA 0.467 5.024 4.556 0.000 0.000 0.327 304 H C 1.313 176.632 175.328 -0.015 0.000 1.135 304 H CA 0.341 56.380 56.048 -0.015 0.000 1.611 304 H CB -0.062 29.691 29.762 -0.014 0.000 1.596 304 H HN 0.805 nan 8.280 nan 0.000 0.725 305 G N -0.096 108.795 108.800 0.151 0.000 5.432 305 G HA2 0.019 3.979 3.960 0.000 0.000 0.221 305 G HA3 0.019 3.979 3.960 0.000 0.000 0.221 305 G C -0.507 174.417 174.900 0.041 0.000 0.809 305 G CA -0.265 44.877 45.100 0.070 0.000 0.700 305 G HN 0.621 nan 8.290 nan 0.000 0.367 306 N N -0.595 118.112 118.700 0.013 0.000 2.393 306 N HA 0.241 4.981 4.740 0.000 0.000 0.256 306 N C 0.017 175.502 175.510 -0.042 0.000 1.449 306 N CA 0.029 53.075 53.050 -0.005 0.000 0.887 306 N CB 0.323 38.818 38.487 0.013 0.000 1.374 306 N HN 0.274 nan 8.380 nan 0.000 0.503 307 A N 0.823 123.594 122.820 -0.080 0.000 2.331 307 A HA 0.376 4.696 4.320 0.000 0.000 0.283 307 A C 0.279 177.808 177.584 -0.092 0.000 1.142 307 A CA -0.346 51.627 52.037 -0.106 0.000 0.812 307 A CB 0.360 19.266 19.000 -0.157 0.000 1.074 307 A HN 0.296 nan 8.150 nan 0.000 0.497 308 E N 1.721 121.885 120.200 -0.060 0.000 1.774 308 E HA 0.233 4.584 4.350 0.000 0.000 0.265 308 E C -0.070 176.522 176.600 -0.014 0.000 1.207 308 E CA -0.251 56.133 56.400 -0.028 0.000 1.054 308 E CB -0.240 29.453 29.700 -0.012 0.000 1.074 308 E HN 0.516 nan 8.360 nan 0.000 0.433 309 V N 0.356 120.242 119.914 -0.045 0.000 2.539 309 V HA 0.209 4.329 4.120 0.000 0.000 0.292 309 V C 0.561 176.705 176.094 0.082 0.000 1.045 309 V CA -1.171 61.119 62.300 -0.018 0.000 0.945 309 V CB 0.968 32.604 31.823 -0.312 0.000 0.993 309 V HN 0.516 nan 8.190 nan 0.000 0.464 310 H N 3.475 122.567 119.070 0.037 0.000 2.948 310 H HA 0.254 4.811 4.556 0.000 0.000 0.351 310 H C 1.160 176.565 175.328 0.129 0.000 1.079 310 H CA -0.036 56.054 56.048 0.070 0.000 1.407 310 H CB 0.778 30.575 29.762 0.059 0.000 1.373 310 H HN 0.956 nan 8.280 nan 0.000 0.605 311 A N 2.856 125.761 122.820 0.141 0.000 2.292 311 A HA -0.120 4.200 4.320 0.000 0.000 0.209 311 A C 1.809 179.452 177.584 0.098 0.000 1.209 311 A CA 1.170 53.281 52.037 0.124 0.000 0.746 311 A CB -0.671 18.393 19.000 0.106 0.000 0.764 311 A HN 0.693 nan 8.150 nan 0.000 0.492 312 S N -1.786 113.912 115.700 -0.004 0.000 2.575 312 S HA 0.107 4.578 4.470 0.000 0.000 0.215 312 S C 1.121 175.647 174.600 -0.123 0.000 0.966 312 S CA -0.173 58.016 58.200 -0.018 0.000 0.911 312 S CB -0.363 62.899 63.200 0.104 0.000 0.780 312 S HN 0.681 nan 8.310 nan 0.000 0.514 313 F N 1.338 121.075 119.950 -0.354 0.000 2.293 313 F HA 0.109 4.636 4.527 0.000 0.000 0.300 313 F C 0.570 176.109 175.800 -0.434 0.000 1.086 313 F CA 0.918 58.668 58.000 -0.417 0.000 1.375 313 F CB -0.070 38.650 39.000 -0.466 0.000 1.045 313 F HN 0.155 nan 8.300 nan 0.000 0.516 314 F N 0.556 120.462 119.950 -0.073 0.000 2.819 314 F HA 0.197 4.724 4.527 0.001 0.000 0.294 314 F C 0.379 176.116 175.800 -0.105 0.000 1.166 314 F CA -0.640 57.298 58.000 -0.104 0.000 1.374 314 F CB -0.528 38.476 39.000 0.007 0.000 0.956 314 F HN -0.177 nan 8.300 nan 0.000 0.509 315 D N -0.245 120.128 120.400 -0.046 0.000 2.569 315 D HA 0.411 5.052 4.640 0.000 0.000 0.266 315 D C 0.216 176.467 176.300 -0.081 0.000 1.164 315 D CA -0.413 53.570 54.000 -0.028 0.000 1.071 315 D CB 1.794 42.584 40.800 -0.018 0.000 1.183 315 D HN -0.113 nan 8.370 nan 0.000 0.613 316 I N 0.491 121.029 120.570 -0.053 0.000 2.342 316 I HA 0.212 4.382 4.170 0.000 0.000 0.291 316 I C 1.542 177.617 176.117 -0.070 0.000 1.010 316 I CA 0.040 61.303 61.300 -0.063 0.000 1.308 316 I CB 1.008 38.986 38.000 -0.036 0.000 1.400 316 I HN 0.675 nan 8.210 nan 0.000 0.488 317 G N 4.573 113.320 108.800 -0.090 0.000 2.382 317 G HA2 -0.265 3.695 3.960 0.000 0.000 0.259 317 G HA3 -0.265 3.695 3.960 0.000 0.000 0.259 317 G C 0.717 175.567 174.900 -0.083 0.000 1.009 317 G CA 0.315 45.369 45.100 -0.078 0.000 0.625 317 G HN 0.938 nan 8.290 nan 0.000 0.541 318 G N -1.359 107.389 108.800 -0.087 0.000 2.355 318 G HA2 0.574 4.535 3.960 0.000 0.000 0.276 318 G HA3 0.574 4.535 3.960 0.000 0.000 0.276 318 G C 0.983 175.805 174.900 -0.129 0.000 1.198 318 G CA 1.009 46.068 45.100 -0.068 0.000 0.876 318 G HN 1.308 nan 8.290 nan 0.000 0.478 319 S N 0.266 115.926 115.700 -0.068 0.000 2.443 319 S HA -0.253 4.218 4.470 0.000 0.000 0.241 319 S C 1.252 175.703 174.600 -0.247 0.000 1.257 319 S CA 1.244 59.406 58.200 -0.063 0.000 1.628 319 S CB -1.155 62.007 63.200 -0.063 0.000 2.116 319 S HN 0.839 nan 8.310 nan 0.000 0.638 320 V N 3.728 123.395 119.914 -0.412 0.000 2.106 320 V HA 0.021 4.142 4.120 0.000 0.000 0.235 320 V C 1.554 177.491 176.094 -0.262 0.000 1.454 320 V CA 0.923 62.904 62.300 -0.531 0.000 1.458 320 V CB -0.491 31.063 31.823 -0.448 0.000 1.506 320 V HN 0.761 nan 8.190 nan 0.000 0.498 321 S N 2.232 117.841 115.700 -0.152 0.000 2.537 321 S HA 0.002 4.472 4.470 0.000 0.000 0.240 321 S C 1.486 176.022 174.600 -0.106 0.000 0.981 321 S CA 0.357 58.516 58.200 -0.069 0.000 0.948 321 S CB -0.424 62.778 63.200 0.004 0.000 0.759 321 S HN 1.684 nan 8.310 nan 0.000 0.531 322 A N 0.491 123.215 122.820 -0.160 0.000 2.511 322 A HA 0.086 4.406 4.320 0.000 0.000 0.297 322 A C 1.721 179.131 177.584 -0.290 0.000 1.476 322 A CA 0.958 52.878 52.037 -0.195 0.000 0.757 322 A CB -2.127 16.765 19.000 -0.180 0.000 1.072 322 A HN 2.101 nan 8.150 nan 0.000 0.413 323 G N -1.680 106.986 108.800 -0.224 0.000 5.356 323 G HA2 -0.073 3.887 3.960 0.000 0.000 0.309 323 G HA3 -0.073 3.887 3.960 0.000 0.000 0.309 323 G C 0.140 174.889 174.900 -0.251 0.000 1.451 323 G CA 0.812 45.716 45.100 -0.328 0.000 0.978 323 G HN 2.257 nan 8.290 nan 0.000 0.771 324 F N 1.229 121.141 119.950 -0.064 0.000 2.556 324 F HA 0.874 5.401 4.527 -0.000 0.000 0.314 324 F C 0.038 175.810 175.800 -0.047 0.000 1.106 324 F CA -0.838 57.060 58.000 -0.170 0.000 0.911 324 F CB 1.787 40.557 39.000 -0.384 0.000 1.190 324 F HN 0.887 nan 8.300 nan 0.000 0.448 325 S N 1.143 116.940 115.700 0.162 0.000 2.697 325 S HA 0.522 4.992 4.470 0.000 0.000 0.289 325 S C -1.185 173.500 174.600 0.141 0.000 1.149 325 S CA -1.245 57.044 58.200 0.148 0.000 0.850 325 S CB 1.384 64.624 63.200 0.067 0.000 1.151 325 S HN 0.623 nan 8.310 nan 0.000 0.491 326 N N 1.528 120.304 118.700 0.126 0.000 2.411 326 N HA 0.362 5.102 4.740 0.000 0.000 0.265 326 N C -0.343 175.224 175.510 0.096 0.000 1.266 326 N CA 0.767 53.889 53.050 0.121 0.000 0.889 326 N CB 0.810 39.357 38.487 0.100 0.000 1.069 326 N HN 0.726 nan 8.380 nan 0.000 0.476 327 S N 2.148 117.913 115.700 0.108 0.000 2.758 327 S HA 0.069 4.539 4.470 0.000 0.000 0.278 327 S C -2.089 172.574 174.600 0.104 0.000 0.905 327 S CA -0.888 57.367 58.200 0.092 0.000 0.960 327 S CB 0.180 63.420 63.200 0.068 0.000 1.211 327 S HN 0.531 nan 8.310 nan 0.000 0.462 328 N N 1.732 120.494 118.700 0.104 0.000 2.372 328 N HA 0.615 5.356 4.740 0.000 0.000 0.291 328 N C -1.459 174.096 175.510 0.074 0.000 1.024 328 N CA -0.391 52.721 53.050 0.103 0.000 0.873 328 N CB 1.803 40.375 38.487 0.142 0.000 1.206 328 N HN 0.504 nan 8.380 nan 0.000 0.486 329 S N 0.679 116.404 115.700 0.041 0.000 2.668 329 S HA 0.480 4.950 4.470 0.000 0.000 0.277 329 S C -1.115 173.462 174.600 -0.039 0.000 1.170 329 S CA -0.670 57.538 58.200 0.014 0.000 0.994 329 S CB 0.310 63.517 63.200 0.012 0.000 1.051 329 S HN 0.487 nan 8.310 nan 0.000 0.484 330 S N 3.115 118.791 115.700 -0.041 0.000 2.482 330 S HA 0.710 5.180 4.470 0.000 0.000 0.303 330 S C -0.482 174.091 174.600 -0.044 0.000 1.091 330 S CA -0.699 57.443 58.200 -0.096 0.000 1.057 330 S CB 1.598 64.749 63.200 -0.083 0.000 1.031 330 S HN 0.550 nan 8.310 nan 0.000 0.485 331 T N 2.822 117.346 114.554 -0.050 0.000 2.771 331 T HA 0.556 4.907 4.350 0.000 0.000 0.281 331 T C 0.054 174.744 174.700 -0.017 0.000 0.982 331 T CA -0.576 61.508 62.100 -0.027 0.000 0.978 331 T CB 0.879 69.732 68.868 -0.025 0.000 0.930 331 T HN 0.836 nan 8.240 nan 0.000 0.447 332 V N 1.522 121.431 119.914 -0.007 0.000 2.532 332 V HA 0.970 5.090 4.120 0.000 0.000 0.295 332 V C -0.059 176.036 176.094 0.001 0.000 1.041 332 V CA -1.180 61.121 62.300 0.003 0.000 0.926 332 V CB 1.057 32.885 31.823 0.008 0.000 0.992 332 V HN 0.957 nan 8.190 nan 0.000 0.457 333 A N 5.620 128.446 122.820 0.009 0.000 2.343 333 A HA 0.859 5.179 4.320 0.000 0.000 0.316 333 A C -0.447 177.161 177.584 0.040 0.000 1.104 333 A CA -0.806 51.235 52.037 0.007 0.000 0.768 333 A CB 0.836 19.832 19.000 -0.006 0.000 1.213 333 A HN 0.899 nan 8.150 nan 0.000 0.456 334 I N 1.644 122.251 120.570 0.063 0.000 2.396 334 I HA 0.171 4.341 4.170 0.000 0.000 0.292 334 I C 0.061 176.293 176.117 0.191 0.000 0.999 334 I CA -0.748 60.631 61.300 0.131 0.000 1.310 334 I CB 1.204 39.322 38.000 0.197 0.000 1.404 334 I HN 0.598 nan 8.210 nan 0.000 0.496 335 D N 5.840 126.368 120.400 0.212 0.000 2.472 335 D HA -0.100 4.541 4.640 0.000 0.000 0.248 335 D C 1.180 177.724 176.300 0.407 0.000 1.174 335 D CA 0.267 54.437 54.000 0.284 0.000 0.883 335 D CB 0.672 41.584 40.800 0.187 0.000 1.149 335 D HN 0.588 nan 8.370 nan 0.000 0.488 336 H N 1.530 120.725 119.070 0.209 0.000 2.544 336 H HA 0.113 4.669 4.556 0.000 0.000 0.269 336 H C 0.681 176.189 175.328 0.301 0.000 0.970 336 H CA -0.332 55.882 56.048 0.277 0.000 1.219 336 H CB -0.321 29.563 29.762 0.202 0.000 1.421 336 H HN 0.055 nan 8.280 nan 0.000 0.555 337 S N 0.630 116.239 115.700 -0.153 0.000 2.700 337 S HA 0.251 4.722 4.470 0.000 0.000 0.250 337 S C 0.653 175.282 174.600 0.048 0.000 1.355 337 S CA -0.201 57.912 58.200 -0.145 0.000 0.970 337 S CB 0.272 63.434 63.200 -0.063 0.000 0.975 337 S HN 0.270 nan 8.310 nan 0.000 0.563 338 L N 0.215 121.485 121.223 0.078 0.000 2.346 338 L HA 0.511 4.851 4.340 0.000 0.000 0.274 338 L C 0.849 177.769 176.870 0.084 0.000 1.007 338 L CA -0.345 54.553 54.840 0.095 0.000 0.818 338 L CB 1.827 43.949 42.059 0.105 0.000 1.284 338 L HN 0.614 nan 8.230 nan 0.000 0.424 339 S N 1.378 117.102 115.700 0.040 0.000 2.641 339 S HA 0.359 4.829 4.470 0.000 0.000 0.239 339 S C 0.880 175.480 174.600 -0.000 0.000 1.081 339 S CA -0.114 58.092 58.200 0.010 0.000 0.904 339 S CB 0.344 63.538 63.200 -0.010 0.000 0.803 339 S HN 0.448 nan 8.310 nan 0.000 0.510 340 L N 0.698 121.923 121.223 0.004 0.000 2.928 340 L HA 0.562 4.902 4.340 0.000 0.000 0.162 340 L C 1.959 178.838 176.870 0.015 0.000 1.540 340 L CA -0.110 54.730 54.840 0.001 0.000 1.836 340 L CB -0.451 41.605 42.059 -0.005 0.000 2.626 340 L HN 0.291 nan 8.230 nan 0.000 0.549 341 A N -0.016 122.813 122.820 0.014 0.000 2.961 341 A HA 0.119 4.439 4.320 0.000 0.000 0.170 341 A C 1.282 178.888 177.584 0.036 0.000 1.374 341 A CA 0.876 52.926 52.037 0.022 0.000 0.794 341 A CB -1.388 17.621 19.000 0.015 0.000 1.008 341 A HN 0.751 nan 8.150 nan 0.000 0.519 342 G N 0.268 109.086 108.800 0.030 0.000 3.820 342 G HA2 0.412 4.372 3.960 0.000 0.000 0.293 342 G HA3 0.412 4.372 3.960 0.000 0.000 0.293 342 G C 0.098 175.017 174.900 0.033 0.000 1.152 342 G CA 0.307 45.426 45.100 0.031 0.000 0.921 342 G HN 0.798 nan 8.290 nan 0.000 0.544 343 E N 0.380 120.603 120.200 0.038 0.000 2.641 343 E HA 0.129 4.479 4.350 0.000 0.000 0.272 343 E C -0.248 176.397 176.600 0.075 0.000 0.990 343 E CA 0.304 56.734 56.400 0.050 0.000 0.971 343 E CB 0.580 30.306 29.700 0.043 0.000 0.967 343 E HN 0.219 nan 8.360 nan 0.000 0.464 344 R N 0.940 121.499 120.500 0.099 0.000 2.629 344 R HA 0.262 4.602 4.340 0.000 0.000 0.266 344 R C -1.328 175.073 176.300 0.168 0.000 1.051 344 R CA -0.734 55.445 56.100 0.131 0.000 0.895 344 R CB 2.288 32.642 30.300 0.089 0.000 1.246 344 R HN 0.736 nan 8.270 nan 0.000 0.459 345 T N 1.621 116.309 114.554 0.222 0.000 1.803 345 T HA -0.118 4.232 4.350 0.000 0.000 0.613 345 T C 0.653 175.548 174.700 0.325 0.000 0.923 345 T CA 0.531 62.770 62.100 0.230 0.000 3.257 345 T CB -0.538 68.416 68.868 0.143 0.000 1.901 345 T HN 0.649 nan 8.240 nan 0.000 0.423 346 W N 2.235 123.605 121.300 0.118 0.000 2.304 346 W HA -0.116 4.544 4.660 0.000 0.000 0.315 346 W C 2.455 179.026 176.519 0.088 0.000 1.233 346 W CA 1.622 59.063 57.345 0.161 0.000 1.261 346 W CB -1.224 28.407 29.460 0.285 0.000 1.150 346 W HN 0.948 nan 8.180 nan 0.000 0.494 347 A N 0.244 123.207 122.820 0.238 0.000 1.848 347 A HA -0.279 4.041 4.320 0.000 0.000 0.217 347 A C 1.970 179.567 177.584 0.022 0.000 1.220 347 A CA 2.277 54.304 52.037 -0.016 0.000 0.645 347 A CB -1.057 17.943 19.000 -0.001 0.000 0.842 347 A HN 0.256 nan 8.150 nan 0.000 0.451 348 E N -0.539 119.700 120.200 0.065 0.000 2.160 348 E HA -0.135 4.215 4.350 0.000 0.000 0.195 348 E C 2.116 178.743 176.600 0.044 0.000 0.991 348 E CA 1.612 58.043 56.400 0.051 0.000 0.810 348 E CB -0.849 28.885 29.700 0.057 0.000 0.742 348 E HN 0.680 nan 8.360 nan 0.000 0.466 349 T N 0.862 115.454 114.554 0.064 0.000 2.849 349 T HA -0.128 4.223 4.350 0.000 0.000 0.270 349 T C 1.873 176.583 174.700 0.016 0.000 1.066 349 T CA 1.278 63.402 62.100 0.040 0.000 1.130 349 T CB -0.072 68.818 68.868 0.038 0.000 0.864 349 T HN 0.158 nan 8.240 nan 0.000 0.481 350 M N -0.391 119.221 119.600 0.019 0.000 2.615 350 M HA 0.315 4.795 4.480 0.000 0.000 0.262 350 M C 1.318 177.620 176.300 0.003 0.000 1.198 350 M CA 0.435 55.741 55.300 0.010 0.000 1.165 350 M CB 0.762 33.376 32.600 0.022 0.000 1.310 350 M HN 0.322 nan 8.290 nan 0.000 0.494 351 G N 2.343 111.143 108.800 -0.000 0.000 2.683 351 G HA2 -0.130 3.830 3.960 0.000 0.000 0.234 351 G HA3 -0.130 3.830 3.960 0.000 0.000 0.234 351 G C -0.717 174.177 174.900 -0.009 0.000 1.135 351 G CA -0.604 44.496 45.100 -0.001 0.000 0.975 351 G HN 0.289 nan 8.290 nan 0.000 0.511 352 L N 0.690 121.906 121.223 -0.011 0.000 2.322 352 L HA 0.653 4.993 4.340 0.000 0.000 0.281 352 L C -0.119 176.774 176.870 0.039 0.000 1.014 352 L CA -1.120 53.725 54.840 0.009 0.000 0.815 352 L CB 1.662 43.682 42.059 -0.065 0.000 1.247 352 L HN 0.232 nan 8.230 nan 0.000 0.421 353 N N 0.192 118.827 118.700 -0.108 0.000 2.357 353 N HA 0.241 4.981 4.740 0.000 0.000 0.284 353 N C 0.483 175.651 175.510 -0.569 0.000 1.236 353 N CA -0.594 52.239 53.050 -0.362 0.000 0.774 353 N CB 1.948 40.317 38.487 -0.198 0.000 1.534 353 N HN 0.415 nan 8.380 nan 0.000 0.478 354 T N 0.636 114.697 114.554 -0.821 0.000 2.837 354 T HA -0.207 4.143 4.350 0.000 0.000 0.266 354 T C 1.291 175.853 174.700 -0.230 0.000 1.077 354 T CA 1.959 63.718 62.100 -0.569 0.000 1.133 354 T CB -0.095 68.556 68.868 -0.362 0.000 0.830 354 T HN 0.677 nan 8.240 nan 0.000 0.512 355 A N 0.381 123.095 122.820 -0.177 0.000 2.379 355 A HA 0.247 4.567 4.320 0.000 0.000 0.236 355 A C 0.424 177.979 177.584 -0.048 0.000 1.272 355 A CA -0.276 51.710 52.037 -0.085 0.000 0.886 355 A CB 0.343 19.301 19.000 -0.071 0.000 0.962 355 A HN 0.286 nan 8.150 nan 0.000 0.504 356 D N -0.095 120.278 120.400 -0.045 0.000 2.449 356 D HA 0.531 5.171 4.640 0.000 0.000 0.250 356 D C -0.396 175.935 176.300 0.051 0.000 1.050 356 D CA 0.244 54.245 54.000 0.001 0.000 1.024 356 D CB 1.806 42.603 40.800 -0.004 0.000 1.218 356 D HN 0.199 nan 8.370 nan 0.000 0.566 357 T N -2.524 112.068 114.554 0.063 0.000 2.928 357 T HA 0.695 5.045 4.350 0.000 0.000 0.296 357 T C -0.704 174.061 174.700 0.108 0.000 1.000 357 T CA -0.923 61.233 62.100 0.095 0.000 0.989 357 T CB 1.507 70.420 68.868 0.075 0.000 1.005 357 T HN 0.366 nan 8.240 nan 0.000 0.442 358 A N 3.881 126.801 122.820 0.167 0.000 2.301 358 A HA 0.783 5.103 4.320 0.000 0.000 0.312 358 A C 0.510 178.192 177.584 0.164 0.000 1.182 358 A CA -1.127 51.032 52.037 0.202 0.000 0.826 358 A CB 0.577 19.819 19.000 0.402 0.000 1.134 358 A HN 1.072 nan 8.150 nan 0.000 0.501 359 R N 1.714 122.286 120.500 0.120 0.000 2.540 359 R HA 0.759 5.099 4.340 0.000 0.000 0.287 359 R C -1.213 175.128 176.300 0.068 0.000 0.980 359 R CA -0.661 55.488 56.100 0.081 0.000 0.966 359 R CB 1.009 31.343 30.300 0.056 0.000 1.106 359 R HN 0.486 nan 8.270 nan 0.000 0.480 360 L N 1.634 122.884 121.223 0.045 0.000 2.330 360 L HA 0.596 4.936 4.340 0.000 0.000 0.271 360 L C -1.214 175.664 176.870 0.014 0.000 1.013 360 L CA -0.533 54.321 54.840 0.023 0.000 0.816 360 L CB 1.934 44.001 42.059 0.012 0.000 1.287 360 L HN 0.920 nan 8.230 nan 0.000 0.435 361 N N 2.260 120.962 118.700 0.003 0.000 2.504 361 N HA 0.815 5.556 4.740 0.000 0.000 0.268 361 N C -2.087 173.418 175.510 -0.008 0.000 1.184 361 N CA 0.149 53.199 53.050 -0.000 0.000 0.875 361 N CB 2.381 40.869 38.487 0.001 0.000 1.630 361 N HN 1.004 nan 8.380 nan 0.000 0.486 362 A N 1.642 124.457 122.820 -0.009 0.000 2.586 362 A HA 0.541 4.862 4.320 0.000 0.000 0.290 362 A C -1.813 175.761 177.584 -0.016 0.000 1.086 362 A CA -0.761 51.269 52.037 -0.013 0.000 0.665 362 A CB 1.087 20.078 19.000 -0.015 0.000 1.279 362 A HN 0.596 nan 8.150 nan 0.000 0.423 363 N N 0.311 119.001 118.700 -0.016 0.000 2.392 363 N HA 0.677 5.417 4.740 0.000 0.000 0.283 363 N C -0.962 174.532 175.510 -0.026 0.000 1.003 363 N CA -0.087 52.953 53.050 -0.016 0.000 0.892 363 N CB 1.610 40.091 38.487 -0.010 0.000 1.193 363 N HN 0.732 nan 8.380 nan 0.000 0.487 364 I N -1.360 119.184 120.570 -0.044 0.000 3.174 364 I HA 0.693 4.863 4.170 0.000 0.000 0.313 364 I C -0.708 175.364 176.117 -0.076 0.000 1.155 364 I CA -1.197 60.057 61.300 -0.077 0.000 0.977 364 I CB 1.709 39.617 38.000 -0.152 0.000 1.248 364 I HN 0.412 nan 8.210 nan 0.000 0.453 365 R N 1.170 121.615 120.500 -0.091 0.000 2.535 365 R HA 0.511 4.852 4.340 0.000 0.000 0.274 365 R C -1.950 174.309 176.300 -0.069 0.000 1.090 365 R CA -0.786 55.317 56.100 0.005 0.000 0.930 365 R CB 0.632 31.023 30.300 0.151 0.000 1.223 365 R HN 0.574 nan 8.270 nan 0.000 0.441 366 Y N 1.013 121.355 120.300 0.070 0.000 2.397 366 Y HA 0.315 4.866 4.550 0.001 0.000 0.335 366 Y C 0.570 176.404 175.900 -0.110 0.000 1.213 366 Y CA 0.016 58.086 58.100 -0.050 0.000 1.391 366 Y CB 1.309 39.717 38.460 -0.088 0.000 1.293 366 Y HN 0.387 nan 8.280 nan 0.000 0.557 367 V N 3.826 123.620 119.914 -0.200 0.000 2.668 367 V HA 0.376 4.496 4.120 0.000 0.000 0.304 367 V C -1.363 174.440 176.094 -0.486 0.000 1.071 367 V CA -0.835 61.176 62.300 -0.482 0.000 0.894 367 V CB 1.713 33.016 31.823 -0.867 0.000 1.008 367 V HN 0.837 nan 8.190 nan 0.000 0.425 368 N N 3.676 122.148 118.700 -0.380 0.000 2.462 368 N HA 0.274 5.014 4.740 0.000 0.000 0.242 368 N C 0.880 176.218 175.510 -0.288 0.000 1.010 368 N CA 0.604 53.458 53.050 -0.326 0.000 0.939 368 N CB 1.760 40.079 38.487 -0.279 0.000 1.127 368 N HN 0.802 nan 8.380 nan 0.000 0.509 369 T N 0.832 115.240 114.554 -0.243 0.000 3.067 369 T HA 0.187 4.537 4.350 0.000 0.000 0.257 369 T C 1.152 175.747 174.700 -0.175 0.000 1.105 369 T CA 0.517 62.519 62.100 -0.162 0.000 1.104 369 T CB -0.447 68.385 68.868 -0.060 0.000 0.925 369 T HN 0.416 nan 8.240 nan 0.000 0.498 370 G N 1.053 109.700 108.800 -0.255 0.000 2.268 370 G HA2 0.212 4.172 3.960 0.000 0.000 0.330 370 G HA3 0.212 4.172 3.960 0.000 0.000 0.330 370 G C 0.994 175.754 174.900 -0.233 0.000 1.413 370 G CA 1.188 46.081 45.100 -0.345 0.000 1.094 370 G HN 0.583 nan 8.290 nan 0.000 0.581 371 T N -4.127 110.295 114.554 -0.218 0.000 3.087 371 T HA 0.625 4.975 4.350 0.000 0.000 0.283 371 T C 0.231 174.926 174.700 -0.009 0.000 0.956 371 T CA 0.844 62.899 62.100 -0.075 0.000 0.894 371 T CB 0.266 69.134 68.868 0.000 0.000 1.160 371 T HN 1.294 nan 8.240 nan 0.000 0.532 372 A N 2.546 125.352 122.820 -0.024 0.000 2.449 372 A HA 0.857 5.178 4.320 0.000 0.000 0.302 372 A C -3.137 174.467 177.584 0.034 0.000 1.048 372 A CA -2.041 50.071 52.037 0.125 0.000 0.708 372 A CB 1.720 20.963 19.000 0.405 0.000 1.274 372 A HN 0.179 nan 8.150 nan 0.000 0.410 373 P HA 0.462 nan 4.420 nan 0.000 0.278 373 P C -0.801 176.636 177.300 0.228 0.000 1.238 373 P CA -0.051 63.118 63.100 0.115 0.000 0.794 373 P CB 0.988 32.779 31.700 0.152 0.000 0.955 374 I N 2.580 123.178 120.570 0.046 0.000 2.392 374 I HA 0.190 4.360 4.170 0.000 0.000 0.295 374 I C 0.806 177.021 176.117 0.164 0.000 0.985 374 I CA -0.591 60.784 61.300 0.126 0.000 1.221 374 I CB 1.195 39.126 38.000 -0.116 0.000 1.366 374 I HN 0.346 nan 8.210 nan 0.000 0.467 375 Y N 4.035 124.421 120.300 0.144 0.000 2.458 375 Y HA 0.035 4.585 4.550 -0.001 0.000 0.254 375 Y C 1.290 177.237 175.900 0.079 0.000 1.120 375 Y CA -0.010 58.155 58.100 0.108 0.000 1.282 375 Y CB 0.200 38.733 38.460 0.123 0.000 1.109 375 Y HN 0.712 nan 8.280 nan 0.000 0.526 376 N N -2.421 116.391 118.700 0.187 0.000 2.842 376 N HA -0.007 4.734 4.740 0.000 0.000 0.345 376 N C -0.286 175.251 175.510 0.046 0.000 0.919 376 N CA -0.022 53.094 53.050 0.110 0.000 1.631 376 N CB 0.321 38.881 38.487 0.122 0.000 0.873 376 N HN -0.210 nan 8.380 nan 0.000 1.548 377 V N 2.192 122.143 119.914 0.061 0.000 2.790 377 V HA 0.018 4.138 4.120 0.000 0.000 0.304 377 V C 0.127 176.196 176.094 -0.043 0.000 1.142 377 V CA 0.302 62.616 62.300 0.022 0.000 1.282 377 V CB -0.336 31.528 31.823 0.068 0.000 0.877 377 V HN 0.300 nan 8.190 nan 0.000 0.504 378 L N 6.988 128.133 121.223 -0.130 0.000 2.333 378 L HA 0.618 4.958 4.340 0.000 0.000 0.269 378 L C -2.324 174.430 176.870 -0.193 0.000 1.010 378 L CA -1.945 52.719 54.840 -0.294 0.000 0.818 378 L CB 1.894 43.596 42.059 -0.596 0.000 1.306 378 L HN 0.416 nan 8.230 nan 0.000 0.430 379 P HA 0.060 nan 4.420 nan 0.000 0.264 379 P C -0.742 176.580 177.300 0.037 0.000 1.183 379 P CA 0.071 63.172 63.100 0.002 0.000 0.763 379 P CB 0.209 31.939 31.700 0.050 0.000 0.807 380 T N 1.754 116.349 114.554 0.069 0.000 4.098 380 T HA 0.103 4.454 4.350 0.000 0.000 0.291 380 T C 0.543 175.299 174.700 0.092 0.000 1.440 380 T CA -0.066 62.077 62.100 0.071 0.000 1.164 380 T CB -0.933 67.966 68.868 0.052 0.000 1.313 380 T HN 0.331 nan 8.240 nan 0.000 0.951 381 T N 2.637 117.271 114.554 0.134 0.000 2.870 381 T HA 0.313 4.664 4.350 0.000 0.000 0.300 381 T C 0.434 175.179 174.700 0.074 0.000 0.989 381 T CA -0.639 61.531 62.100 0.117 0.000 1.139 381 T CB 0.187 69.144 68.868 0.149 0.000 0.920 381 T HN 0.491 nan 8.240 nan 0.000 0.537 382 S N 5.287 121.020 115.700 0.055 0.000 2.501 382 S HA 0.557 5.027 4.470 0.000 0.000 0.301 382 S C -0.407 174.209 174.600 0.026 0.000 1.096 382 S CA -1.080 57.142 58.200 0.037 0.000 1.063 382 S CB 1.249 64.469 63.200 0.033 0.000 1.042 382 S HN 0.802 nan 8.310 nan 0.000 0.494 383 L N 3.890 125.123 121.223 0.017 0.000 2.255 383 L HA 0.542 4.882 4.340 0.000 0.000 0.289 383 L C -1.079 175.795 176.870 0.007 0.000 1.046 383 L CA -0.594 54.251 54.840 0.008 0.000 0.816 383 L CB 0.660 42.720 42.059 0.002 0.000 1.197 383 L HN 0.634 nan 8.230 nan 0.000 0.427 384 V N 5.197 125.113 119.914 0.005 0.000 2.834 384 V HA 0.459 4.579 4.120 0.000 0.000 0.313 384 V C -0.397 175.693 176.094 -0.006 0.000 1.060 384 V CA -0.779 61.522 62.300 0.001 0.000 0.989 384 V CB 2.039 33.864 31.823 0.002 0.000 1.041 384 V HN 0.580 nan 8.190 nan 0.000 0.459 385 L N 2.880 124.098 121.223 -0.009 0.000 2.406 385 L HA 0.876 5.217 4.340 0.000 0.000 0.272 385 L C 0.320 177.178 176.870 -0.019 0.000 0.980 385 L CA 1.246 56.076 54.840 -0.017 0.000 0.831 385 L CB 0.770 42.818 42.059 -0.019 0.000 1.253 385 L HN 1.000 nan 8.230 nan 0.000 0.406 386 G N 4.698 113.482 108.800 -0.026 0.000 2.779 386 G HA2 -0.309 3.652 3.960 0.000 0.000 0.284 386 G HA3 -0.309 3.652 3.960 0.000 0.000 0.284 386 G C 0.680 175.566 174.900 -0.022 0.000 1.326 386 G CA 0.454 45.538 45.100 -0.027 0.000 0.983 386 G HN 0.653 nan 8.290 nan 0.000 0.555 387 K N 0.872 121.261 120.400 -0.019 0.000 2.436 387 K HA 0.210 4.530 4.320 0.000 0.000 0.198 387 K C 1.298 177.891 176.600 -0.011 0.000 1.174 387 K CA 0.982 57.259 56.287 -0.017 0.000 0.951 387 K CB 0.548 33.036 32.500 -0.020 0.000 1.040 387 K HN 0.608 nan 8.250 nan 0.000 0.536 388 N N -1.059 117.635 118.700 -0.009 0.000 1.899 388 N HA -0.049 4.691 4.740 0.000 0.000 0.223 388 N C -0.638 174.871 175.510 -0.001 0.000 1.411 388 N CA -0.279 52.768 53.050 -0.005 0.000 0.737 388 N CB 0.100 38.583 38.487 -0.008 0.000 1.100 388 N HN -0.151 nan 8.380 nan 0.000 0.527 389 Q N 1.934 121.733 119.800 -0.002 0.000 2.489 389 Q HA 0.101 4.441 4.340 0.000 0.000 0.231 389 Q C -0.350 175.653 176.000 0.005 0.000 1.273 389 Q CA 0.155 55.960 55.803 0.003 0.000 0.898 389 Q CB -0.119 28.621 28.738 0.003 0.000 1.545 389 Q HN 0.393 nan 8.270 nan 0.000 0.538 390 T N -0.257 114.301 114.554 0.008 0.000 2.771 390 T HA 0.122 4.473 4.350 0.000 0.000 0.277 390 T C 1.159 175.867 174.700 0.013 0.000 0.919 390 T CA -0.247 61.859 62.100 0.010 0.000 1.163 390 T CB 0.200 69.075 68.868 0.012 0.000 0.876 390 T HN 0.476 nan 8.240 nan 0.000 0.545 391 L N 1.856 123.085 121.223 0.011 0.000 2.156 391 L HA 0.318 4.658 4.340 0.000 0.000 0.208 391 L C 1.429 178.309 176.870 0.016 0.000 1.095 391 L CA 0.760 55.608 54.840 0.013 0.000 0.770 391 L CB -0.543 41.520 42.059 0.008 0.000 0.914 391 L HN 0.957 nan 8.230 nan 0.000 0.439 392 A N -0.777 122.052 122.820 0.015 0.000 2.571 392 A HA 0.473 4.793 4.320 0.000 0.000 0.296 392 A C -0.584 177.011 177.584 0.018 0.000 1.005 392 A CA -0.380 51.667 52.037 0.017 0.000 0.682 392 A CB 0.550 19.560 19.000 0.016 0.000 1.292 392 A HN 0.017 nan 8.150 nan 0.000 0.420 393 T N 0.238 114.805 114.554 0.022 0.000 2.809 393 T HA 0.647 4.997 4.350 0.000 0.000 0.296 393 T C -0.224 174.496 174.700 0.033 0.000 1.015 393 T CA -0.348 61.769 62.100 0.028 0.000 0.954 393 T CB -0.066 68.819 68.868 0.029 0.000 0.950 393 T HN 0.977 nan 8.240 nan 0.000 0.450 394 I N 2.095 122.689 120.570 0.040 0.000 2.337 394 I HA 0.428 4.598 4.170 0.000 0.000 0.291 394 I C 0.597 176.760 176.117 0.075 0.000 1.046 394 I CA -0.596 60.734 61.300 0.050 0.000 1.324 394 I CB 0.838 38.864 38.000 0.042 0.000 1.409 394 I HN 0.622 nan 8.210 nan 0.000 0.494 395 K N 5.551 125.984 120.400 0.056 0.000 3.202 395 K HA 0.440 4.760 4.320 0.000 0.000 0.206 395 K C 0.108 176.723 176.600 0.025 0.000 1.142 395 K CA -0.533 55.781 56.287 0.044 0.000 0.979 395 K CB 0.632 33.150 32.500 0.031 0.000 0.863 395 K HN 0.854 nan 8.250 nan 0.000 0.479 396 A N 2.671 125.514 122.820 0.038 0.000 2.589 396 A HA -0.133 4.187 4.320 0.000 0.000 0.259 396 A C -0.151 177.417 177.584 -0.027 0.000 1.000 396 A CA 0.716 52.757 52.037 0.007 0.000 0.847 396 A CB -0.298 18.708 19.000 0.009 0.000 0.885 396 A HN 0.580 nan 8.150 nan 0.000 0.508 397 K N 1.816 122.209 120.400 -0.011 0.000 2.620 397 K HA -0.074 4.247 4.320 0.000 0.000 0.278 397 K C 0.267 176.854 176.600 -0.022 0.000 0.967 397 K CA 0.787 57.069 56.287 -0.010 0.000 1.017 397 K CB 0.201 32.702 32.500 0.002 0.000 0.853 397 K HN 0.785 nan 8.250 nan 0.000 0.504 398 E N 1.446 121.640 120.200 -0.010 0.000 2.349 398 E HA 0.095 4.446 4.350 0.000 0.000 0.262 398 E C 0.341 176.945 176.600 0.008 0.000 1.088 398 E CA -0.152 56.245 56.400 -0.005 0.000 0.899 398 E CB 0.503 30.208 29.700 0.007 0.000 1.044 398 E HN 0.534 nan 8.360 nan 0.000 0.420 399 N N 0.779 119.489 118.700 0.017 0.000 2.889 399 N HA -0.353 4.387 4.740 0.000 0.000 0.234 399 N C 1.222 176.751 175.510 0.032 0.000 0.915 399 N CA 1.717 54.785 53.050 0.031 0.000 1.025 399 N CB -0.767 37.739 38.487 0.030 0.000 1.073 399 N HN 0.728 nan 8.380 nan 0.000 0.613 400 Q N 0.394 120.207 119.800 0.023 0.000 2.234 400 Q HA -0.097 4.243 4.340 0.000 0.000 0.206 400 Q C 0.956 176.986 176.000 0.050 0.000 0.980 400 Q CA 1.265 57.086 55.803 0.030 0.000 0.869 400 Q CB -0.206 28.545 28.738 0.021 0.000 0.912 400 Q HN 0.606 nan 8.270 nan 0.000 0.436 401 L N -2.316 118.941 121.223 0.057 0.000 2.322 401 L HA 0.589 4.929 4.340 0.000 0.000 0.279 401 L C 0.078 177.000 176.870 0.086 0.000 1.036 401 L CA -0.300 54.603 54.840 0.106 0.000 0.807 401 L CB 2.399 44.560 42.059 0.170 0.000 1.226 401 L HN -0.073 nan 8.230 nan 0.000 0.433 402 S N -0.229 115.517 115.700 0.076 0.000 2.687 402 S HA 0.226 4.696 4.470 0.000 0.000 0.247 402 S C 0.240 174.850 174.600 0.016 0.000 1.050 402 S CA -0.212 58.022 58.200 0.056 0.000 1.063 402 S CB 0.116 63.346 63.200 0.050 0.000 1.039 402 S HN 0.805 nan 8.310 nan 0.000 0.580 403 Q N 1.187 120.991 119.800 0.007 0.000 2.392 403 Q HA 0.395 4.735 4.340 0.000 0.000 0.262 403 Q C -0.609 175.324 176.000 -0.112 0.000 1.003 403 Q CA 0.321 56.075 55.803 -0.081 0.000 0.888 403 Q CB 0.318 28.956 28.738 -0.166 0.000 1.260 403 Q HN 0.196 nan 8.270 nan 0.000 0.435 404 I N 1.634 122.080 120.570 -0.206 0.000 2.440 404 I HA 0.121 4.291 4.170 0.000 0.000 0.294 404 I C -0.478 175.515 176.117 -0.206 0.000 0.995 404 I CA -0.511 60.609 61.300 -0.299 0.000 1.306 404 I CB 0.939 38.648 38.000 -0.485 0.000 1.407 404 I HN 0.455 nan 8.210 nan 0.000 0.501 405 L N 6.953 128.077 121.223 -0.166 0.000 2.475 405 L HA 0.627 4.967 4.340 0.000 0.000 0.253 405 L C 0.402 177.185 176.870 -0.146 0.000 1.137 405 L CA -0.320 54.450 54.840 -0.118 0.000 1.058 405 L CB -0.745 41.265 42.059 -0.081 0.000 1.382 405 L HN 0.700 nan 8.230 nan 0.000 0.416 406 A N 4.892 127.630 122.820 -0.137 0.000 2.386 406 A HA 0.553 4.873 4.320 0.000 0.000 0.246 406 A C -2.298 175.219 177.584 -0.111 0.000 1.089 406 A CA -0.970 51.003 52.037 -0.106 0.000 0.790 406 A CB -0.538 18.411 19.000 -0.085 0.000 1.042 406 A HN 0.579 nan 8.150 nan 0.000 0.497 407 P HA 0.017 nan 4.420 nan 0.000 0.266 407 P C -0.536 176.706 177.300 -0.098 0.000 1.195 407 P CA 0.333 63.368 63.100 -0.109 0.000 0.768 407 P CB 0.141 31.794 31.700 -0.077 0.000 0.838 408 N N 1.295 119.921 118.700 -0.124 0.000 2.586 408 N HA -0.238 4.502 4.740 0.000 0.000 0.282 408 N C -0.567 174.894 175.510 -0.081 0.000 1.171 408 N CA 1.108 54.095 53.050 -0.104 0.000 0.733 408 N CB -1.342 37.122 38.487 -0.039 0.000 0.910 408 N HN 0.568 nan 8.380 nan 0.000 0.548 409 N N 0.398 119.010 118.700 -0.148 0.000 3.134 409 N HA 0.225 4.965 4.740 0.000 0.000 0.235 409 N C -1.628 173.807 175.510 -0.124 0.000 1.092 409 N CA -0.457 52.567 53.050 -0.044 0.000 1.038 409 N CB 0.549 39.006 38.487 -0.050 0.000 1.684 409 N HN 0.103 nan 8.380 nan 0.000 0.551 410 Y N 2.286 122.545 120.300 -0.067 0.000 2.307 410 Y HA 0.195 4.745 4.550 0.000 0.000 0.324 410 Y C 1.397 177.279 175.900 -0.030 0.000 1.238 410 Y CA -0.232 57.842 58.100 -0.043 0.000 1.280 410 Y CB 0.361 38.800 38.460 -0.036 0.000 1.248 410 Y HN 0.629 nan 8.280 nan 0.000 0.508 411 Y N 4.129 124.485 120.300 0.094 0.000 1.978 411 Y HA -0.114 4.436 4.550 0.000 0.000 0.247 411 Y C -1.352 174.589 175.900 0.068 0.000 1.102 411 Y CA 0.797 58.944 58.100 0.077 0.000 1.069 411 Y CB -1.394 37.176 38.460 0.183 0.000 0.954 411 Y HN 0.356 nan 8.280 nan 0.000 0.488 412 P HA 0.066 nan 4.420 nan 0.000 0.277 412 P C -0.769 176.467 177.300 -0.107 0.000 1.354 412 P CA 0.226 63.184 63.100 -0.237 0.000 0.891 412 P CB 0.558 32.305 31.700 0.078 0.000 1.058 413 S N 4.413 120.019 115.700 -0.156 0.000 3.332 413 S HA -0.139 4.331 4.470 0.000 0.000 0.398 413 S C 1.643 176.206 174.600 -0.061 0.000 1.174 413 S CA 0.086 58.240 58.200 -0.077 0.000 0.953 413 S CB 0.033 63.178 63.200 -0.090 0.000 0.664 413 S HN 0.425 nan 8.310 nan 0.000 0.491 414 K N 2.560 122.918 120.400 -0.071 0.000 2.318 414 K HA -0.223 4.097 4.320 0.000 0.000 0.204 414 K C 1.004 177.543 176.600 -0.101 0.000 1.044 414 K CA 1.791 57.990 56.287 -0.146 0.000 0.932 414 K CB -0.634 31.726 32.500 -0.233 0.000 0.734 414 K HN 0.910 nan 8.250 nan 0.000 0.473 415 N N -0.023 118.633 118.700 -0.073 0.000 2.455 415 N HA 0.151 4.891 4.740 0.000 0.000 0.258 415 N C -0.112 175.368 175.510 -0.049 0.000 1.158 415 N CA -0.129 52.886 53.050 -0.058 0.000 0.893 415 N CB 0.099 38.557 38.487 -0.049 0.000 1.173 415 N HN -0.027 nan 8.380 nan 0.000 0.503 416 L N -1.561 119.633 121.223 -0.048 0.000 2.389 416 L HA 0.718 5.058 4.340 0.000 0.000 0.249 416 L C -0.628 176.231 176.870 -0.019 0.000 1.083 416 L CA -1.876 52.943 54.840 -0.035 0.000 0.876 416 L CB 1.564 43.596 42.059 -0.045 0.000 1.489 416 L HN 0.071 nan 8.230 nan 0.000 0.412 417 A N 1.476 124.294 122.820 -0.004 0.000 2.438 417 A HA 0.506 4.826 4.320 0.000 0.000 0.280 417 A C -2.337 175.266 177.584 0.032 0.000 1.160 417 A CA -0.889 51.154 52.037 0.010 0.000 0.821 417 A CB -0.924 18.084 19.000 0.014 0.000 1.101 417 A HN 0.318 nan 8.150 nan 0.000 0.515 418 P HA 0.081 nan 4.420 nan 0.000 0.269 418 P C -0.247 177.084 177.300 0.053 0.000 1.211 418 P CA 0.103 63.228 63.100 0.042 0.000 0.781 418 P CB 0.396 32.103 31.700 0.012 0.000 0.877 419 I N 0.863 121.471 120.570 0.063 0.000 2.474 419 I HA 0.334 4.504 4.170 0.000 0.000 0.287 419 I C 0.633 176.755 176.117 0.009 0.000 1.048 419 I CA -0.435 60.894 61.300 0.048 0.000 1.383 419 I CB 0.900 38.928 38.000 0.046 0.000 1.412 419 I HN 0.317 nan 8.210 nan 0.000 0.531 420 A N 7.449 130.277 122.820 0.012 0.000 2.312 420 A HA 0.731 5.051 4.320 0.000 0.000 0.328 420 A C -0.495 177.088 177.584 -0.001 0.000 1.158 420 A CA -0.616 51.422 52.037 0.002 0.000 0.821 420 A CB 0.747 19.751 19.000 0.006 0.000 1.170 420 A HN 0.675 nan 8.150 nan 0.000 0.490 421 L N 1.839 123.058 121.223 -0.007 0.000 2.326 421 L HA 0.241 4.581 4.340 0.000 0.000 0.278 421 L C 0.257 177.130 176.870 0.004 0.000 1.092 421 L CA -0.738 54.100 54.840 -0.004 0.000 0.810 421 L CB 0.428 42.481 42.059 -0.010 0.000 1.153 421 L HN 0.795 nan 8.230 nan 0.000 0.439 422 N N 2.419 121.124 118.700 0.009 0.000 2.702 422 N HA -0.236 4.505 4.740 0.000 0.000 0.261 422 N C 0.281 175.798 175.510 0.011 0.000 0.965 422 N CA 1.023 54.080 53.050 0.012 0.000 0.795 422 N CB -0.246 38.249 38.487 0.014 0.000 0.909 422 N HN 0.811 nan 8.380 nan 0.000 0.546 423 A N -0.225 122.602 122.820 0.011 0.000 2.585 423 A HA 0.255 4.575 4.320 0.000 0.000 0.266 423 A C 0.532 178.123 177.584 0.012 0.000 1.178 423 A CA 0.768 52.810 52.037 0.010 0.000 0.966 423 A CB 0.552 19.556 19.000 0.008 0.000 1.170 423 A HN 0.563 nan 8.150 nan 0.000 0.558 424 Q N -2.117 117.691 119.800 0.013 0.000 2.953 424 Q HA 0.296 4.636 4.340 0.000 0.000 0.293 424 Q C -1.544 174.466 176.000 0.017 0.000 0.884 424 Q CA -0.137 55.675 55.803 0.015 0.000 0.891 424 Q CB -0.684 28.063 28.738 0.015 0.000 1.683 424 Q HN 0.228 nan 8.270 nan 0.000 0.578 429 S N 0.427 116.135 115.700 0.014 0.000 2.593 429 S HA 0.245 4.716 4.470 0.000 0.000 0.235 429 S C 0.674 175.283 174.600 0.015 0.000 1.059 429 S CA 0.463 58.672 58.200 0.014 0.000 0.953 429 S CB 0.006 63.214 63.200 0.013 0.000 0.897 429 S HN 1.435 nan 8.310 nan 0.000 0.507 430 T N 1.942 116.505 114.554 0.016 0.000 2.929 430 T HA 0.649 5.000 4.350 0.000 0.000 0.331 430 T C -2.507 172.204 174.700 0.019 0.000 1.120 430 T CA -1.527 60.583 62.100 0.017 0.000 0.973 430 T CB 0.756 69.634 68.868 0.017 0.000 1.036 430 T HN -0.016 nan 8.240 nan 0.000 0.502 431 P HA 0.301 nan 4.420 nan 0.000 0.300 431 P C -0.240 177.075 177.300 0.025 0.000 1.294 431 P CA -0.631 62.482 63.100 0.022 0.000 0.757 431 P CB 0.447 32.161 31.700 0.024 0.000 1.377 432 I N -0.532 120.055 120.570 0.028 0.000 2.321 432 I HA 0.215 4.385 4.170 0.000 0.000 0.291 432 I C -0.057 176.087 176.117 0.043 0.000 0.998 432 I CA -0.261 61.058 61.300 0.032 0.000 1.227 432 I CB 1.260 39.276 38.000 0.028 0.000 1.368 432 I HN 0.091 nan 8.210 nan 0.000 0.466 433 T N 7.646 122.227 114.554 0.045 0.000 2.824 433 T HA 0.539 4.889 4.350 0.000 0.000 0.280 433 T C -0.322 174.420 174.700 0.069 0.000 0.995 433 T CA -0.489 61.646 62.100 0.058 0.000 1.009 433 T CB 1.311 70.209 68.868 0.050 0.000 0.955 433 T HN 0.522 nan 8.240 nan 0.000 0.452 434 M N 4.687 124.346 119.600 0.099 0.000 2.134 434 M HA 0.266 4.746 4.480 0.000 0.000 0.249 434 M C -0.690 175.712 176.300 0.169 0.000 0.955 434 M CA -0.831 54.542 55.300 0.121 0.000 1.037 434 M CB 0.772 33.447 32.600 0.125 0.000 2.110 434 M HN 0.758 nan 8.290 nan 0.000 0.449 435 N N 2.295 121.081 118.700 0.144 0.000 2.260 435 N HA -0.018 4.722 4.740 0.000 0.000 0.230 435 N C 0.519 176.171 175.510 0.237 0.000 1.323 435 N CA 0.008 53.160 53.050 0.169 0.000 0.897 435 N CB 0.316 38.881 38.487 0.129 0.000 1.146 435 N HN 0.509 nan 8.380 nan 0.000 0.460 436 Y N 0.216 120.564 120.300 0.080 0.000 1.979 436 Y HA -0.312 4.238 4.550 0.000 0.000 0.262 436 Y C 1.777 177.749 175.900 0.119 0.000 1.142 436 Y CA 2.339 60.483 58.100 0.072 0.000 1.096 436 Y CB -0.993 37.477 38.460 0.017 0.000 0.958 436 Y HN 0.695 nan 8.280 nan 0.000 0.484 437 N N -0.498 118.323 118.700 0.201 0.000 2.089 437 N HA -0.348 4.392 4.740 0.000 0.000 0.198 437 N C 1.762 177.309 175.510 0.061 0.000 1.017 437 N CA 1.828 54.936 53.050 0.096 0.000 0.880 437 N CB -0.377 38.170 38.487 0.099 0.000 1.042 437 N HN 0.583 nan 8.380 nan 0.000 0.446 438 Q N 0.036 119.891 119.800 0.090 0.000 2.030 438 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 438 Q C 1.965 178.012 176.000 0.079 0.000 0.986 438 Q CA 1.362 57.207 55.803 0.070 0.000 0.843 438 Q CB -0.329 28.456 28.738 0.078 0.000 0.904 438 Q HN 0.371 nan 8.270 nan 0.000 0.420 439 F N 1.685 121.615 119.950 -0.034 0.000 2.065 439 F HA -0.252 4.275 4.527 0.000 0.000 0.298 439 F C 1.889 177.629 175.800 -0.100 0.000 1.112 439 F CA 1.404 59.379 58.000 -0.041 0.000 1.212 439 F CB -0.410 38.564 39.000 -0.044 0.000 0.975 439 F HN -0.017 nan 8.300 nan 0.000 0.476 440 L N 0.036 121.377 121.223 0.197 0.000 2.021 440 L HA -0.294 4.046 4.340 0.000 0.000 0.215 440 L C 2.478 179.333 176.870 -0.025 0.000 1.074 440 L CA 2.046 56.912 54.840 0.043 0.000 0.760 440 L CB -0.945 41.050 42.059 -0.107 0.000 0.889 440 L HN 0.229 nan 8.230 nan 0.000 0.433 441 E N -0.168 120.010 120.200 -0.036 0.000 2.070 441 E HA -0.292 4.058 4.350 0.000 0.000 0.197 441 E C 2.108 178.640 176.600 -0.114 0.000 1.004 441 E CA 1.461 57.821 56.400 -0.067 0.000 0.805 441 E CB -0.272 29.401 29.700 -0.045 0.000 0.744 441 E HN 0.270 nan 8.360 nan 0.000 0.451 442 L N 1.722 122.858 121.223 -0.145 0.000 2.012 442 L HA -0.224 4.116 4.340 0.000 0.000 0.210 442 L C 2.227 178.928 176.870 -0.281 0.000 1.073 442 L CA 2.017 56.733 54.840 -0.207 0.000 0.748 442 L CB -0.487 41.391 42.059 -0.303 0.000 0.891 442 L HN 0.088 nan 8.230 nan 0.000 0.431 443 E N -0.790 119.219 120.200 -0.318 0.000 2.265 443 E HA -0.278 4.072 4.350 0.000 0.000 0.196 443 E C 2.160 178.522 176.600 -0.397 0.000 0.996 443 E CA 1.009 57.116 56.400 -0.488 0.000 0.832 443 E CB -0.018 29.540 29.700 -0.237 0.000 0.756 443 E HN 0.562 nan 8.360 nan 0.000 0.491 444 K N -0.312 119.942 120.400 -0.244 0.000 2.076 444 K HA -0.066 4.254 4.320 0.000 0.000 0.204 444 K C 1.849 178.333 176.600 -0.193 0.000 1.051 444 K CA 1.688 57.855 56.287 -0.199 0.000 0.949 444 K CB 0.157 32.577 32.500 -0.133 0.000 0.726 444 K HN 0.172 nan 8.250 nan 0.000 0.443 445 T N -2.575 111.874 114.554 -0.174 0.000 2.971 445 T HA 0.203 4.553 4.350 0.000 0.000 0.252 445 T C 0.025 174.637 174.700 -0.146 0.000 1.022 445 T CA -0.373 61.641 62.100 -0.144 0.000 0.980 445 T CB 0.093 68.899 68.868 -0.103 0.000 1.044 445 T HN 0.129 nan 8.240 nan 0.000 0.501 446 K N 2.215 122.508 120.400 -0.178 0.000 3.278 446 K HA -0.210 4.110 4.320 0.000 0.000 0.270 446 K C -0.310 176.257 176.600 -0.054 0.000 0.955 446 K CA 0.757 56.965 56.287 -0.132 0.000 0.723 446 K CB -1.589 30.826 32.500 -0.140 0.000 1.382 446 K HN 0.915 nan 8.250 nan 0.000 0.461 447 Q N -0.686 119.081 119.800 -0.055 0.000 2.479 447 Q HA 0.685 5.025 4.340 0.000 0.000 0.276 447 Q C -1.388 174.593 176.000 -0.033 0.000 0.989 447 Q CA -1.240 54.543 55.803 -0.033 0.000 0.864 447 Q CB 1.502 30.216 28.738 -0.040 0.000 1.444 447 Q HN 0.129 nan 8.270 nan 0.000 0.388 448 L N 0.477 121.688 121.223 -0.020 0.000 2.250 448 L HA 0.767 5.107 4.340 0.000 0.000 0.252 448 L C -0.601 176.261 176.870 -0.014 0.000 1.054 448 L CA -1.163 53.666 54.840 -0.019 0.000 0.856 448 L CB 2.394 44.445 42.059 -0.014 0.000 1.443 448 L HN 0.746 nan 8.230 nan 0.000 0.427 449 R N 0.402 120.896 120.500 -0.011 0.000 2.750 449 R HA 0.700 5.040 4.340 0.000 0.000 0.281 449 R C -1.812 174.489 176.300 0.001 0.000 0.972 449 R CA -0.636 55.460 56.100 -0.007 0.000 0.912 449 R CB 1.789 32.085 30.300 -0.007 0.000 1.187 449 R HN 0.569 nan 8.270 nan 0.000 0.464 450 L N 3.720 124.946 121.223 0.006 0.000 2.384 450 L HA 0.338 4.678 4.340 0.000 0.000 0.261 450 L C -1.221 175.669 176.870 0.034 0.000 1.024 450 L CA -0.727 54.124 54.840 0.018 0.000 0.899 450 L CB 1.633 43.704 42.059 0.020 0.000 1.243 450 L HN 0.573 nan 8.230 nan 0.000 0.449 451 D N 1.650 122.071 120.400 0.035 0.000 2.336 451 D HA 0.269 4.909 4.640 0.000 0.000 0.249 451 D C -0.041 176.299 176.300 0.066 0.000 1.213 451 D CA 0.421 54.449 54.000 0.046 0.000 0.870 451 D CB 1.271 42.092 40.800 0.035 0.000 1.076 451 D HN 0.253 nan 8.370 nan 0.000 0.483 452 T N 1.801 116.409 114.554 0.089 0.000 2.855 452 T HA 0.376 4.726 4.350 0.000 0.000 0.281 452 T C 0.043 174.816 174.700 0.122 0.000 1.007 452 T CA -1.041 61.130 62.100 0.118 0.000 1.009 452 T CB 1.306 70.265 68.868 0.152 0.000 0.983 452 T HN 0.332 nan 8.240 nan 0.000 0.455 453 D N 1.362 121.836 120.400 0.123 0.000 2.478 453 D HA 0.134 4.774 4.640 0.000 0.000 0.274 453 D C 0.394 176.795 176.300 0.169 0.000 1.234 453 D CA -0.616 53.450 54.000 0.110 0.000 1.069 453 D CB 0.624 41.472 40.800 0.080 0.000 1.113 453 D HN 0.474 nan 8.370 nan 0.000 0.571 454 Q N -1.015 118.826 119.800 0.068 0.000 2.155 454 Q HA 0.198 4.538 4.340 0.000 0.000 0.220 454 Q C -0.100 175.717 176.000 -0.305 0.000 0.819 454 Q CA -0.259 55.455 55.803 -0.148 0.000 1.032 454 Q CB 1.275 29.828 28.738 -0.309 0.000 1.151 454 Q HN 0.299 nan 8.270 nan 0.000 0.487 455 V N 2.207 122.142 119.914 0.035 0.000 2.180 455 V HA 0.057 4.177 4.120 0.000 0.000 0.238 455 V C -0.500 175.749 176.094 0.259 0.000 1.337 455 V CA 0.209 62.553 62.300 0.074 0.000 1.338 455 V CB -1.078 30.787 31.823 0.071 0.000 1.431 455 V HN 0.198 nan 8.190 nan 0.000 0.498 456 Y N 3.545 123.875 120.300 0.050 0.000 2.344 456 Y HA 0.551 5.100 4.550 -0.001 0.000 0.330 456 Y C 1.493 177.486 175.900 0.155 0.000 1.330 456 Y CA -0.895 57.227 58.100 0.035 0.000 1.479 456 Y CB 0.599 39.003 38.460 -0.093 0.000 1.428 456 Y HN 0.530 nan 8.280 nan 0.000 0.544 457 G N 0.186 109.211 108.800 0.376 0.000 2.516 457 G HA2 0.092 4.052 3.960 0.000 0.000 0.276 457 G HA3 0.092 4.052 3.960 0.000 0.000 0.276 457 G C -0.631 174.491 174.900 0.371 0.000 1.390 457 G CA -0.805 44.481 45.100 0.311 0.000 1.050 457 G HN 0.726 nan 8.290 nan 0.000 0.519 458 N N -1.593 117.235 118.700 0.213 0.000 2.284 458 N HA 0.366 5.107 4.740 0.000 0.000 0.254 458 N C -0.199 175.350 175.510 0.065 0.000 1.301 458 N CA -0.228 52.870 53.050 0.080 0.000 0.927 458 N CB 0.736 39.232 38.487 0.016 0.000 1.179 458 N HN 0.260 nan 8.380 nan 0.000 0.525 459 I N -0.098 120.377 120.570 -0.157 0.000 2.693 459 I HA 0.421 4.591 4.170 0.000 0.000 0.303 459 I C -0.414 175.550 176.117 -0.256 0.000 1.025 459 I CA -1.112 60.050 61.300 -0.229 0.000 1.086 459 I CB 1.858 39.487 38.000 -0.618 0.000 1.268 459 I HN 0.435 nan 8.210 nan 0.000 0.440 460 A N 3.173 125.832 122.820 -0.268 0.000 2.279 460 A HA 0.531 4.851 4.320 0.000 0.000 0.306 460 A C -0.135 177.382 177.584 -0.111 0.000 1.300 460 A CA -0.199 51.631 52.037 -0.345 0.000 0.925 460 A CB 0.403 19.003 19.000 -0.666 0.000 1.152 460 A HN 0.684 nan 8.150 nan 0.000 0.544 461 T N 1.635 116.114 114.554 -0.125 0.000 2.895 461 T HA 0.496 4.846 4.350 0.000 0.000 0.283 461 T C -0.499 174.197 174.700 -0.006 0.000 1.014 461 T CA -0.276 61.791 62.100 -0.053 0.000 1.037 461 T CB 0.362 69.155 68.868 -0.124 0.000 1.006 461 T HN 0.483 nan 8.240 nan 0.000 0.468 462 Y N 3.561 123.788 120.300 -0.123 0.000 2.299 462 Y HA 0.440 4.991 4.550 0.001 0.000 0.335 462 Y C 0.336 176.029 175.900 -0.345 0.000 1.287 462 Y CA -0.454 57.514 58.100 -0.220 0.000 1.424 462 Y CB 0.710 39.006 38.460 -0.272 0.000 1.326 462 Y HN 0.693 nan 8.280 nan 0.000 0.567 463 N N 3.620 121.702 118.700 -1.030 0.000 2.690 463 N HA 0.171 4.911 4.740 0.000 0.000 0.255 463 N C -0.379 174.647 175.510 -0.806 0.000 1.195 463 N CA -0.418 52.181 53.050 -0.753 0.000 0.790 463 N CB -0.214 38.035 38.487 -0.396 0.000 1.216 463 N HN 0.520 nan 8.380 nan 0.000 0.528 464 F N 0.539 120.269 119.950 -0.367 0.000 2.158 464 F HA -0.335 4.193 4.527 0.001 0.000 0.299 464 F C 2.082 177.807 175.800 -0.124 0.000 1.060 464 F CA 1.255 59.177 58.000 -0.130 0.000 1.284 464 F CB -0.292 38.745 39.000 0.063 0.000 1.035 464 F HN 0.482 nan 8.300 nan 0.000 0.496 465 E N 0.673 120.892 120.200 0.032 0.000 2.002 465 E HA -0.237 4.113 4.350 0.000 0.000 0.205 465 E C 1.895 178.474 176.600 -0.035 0.000 1.020 465 E CA 1.951 58.356 56.400 0.008 0.000 0.856 465 E CB -0.946 28.744 29.700 -0.016 0.000 0.788 465 E HN 0.606 nan 8.360 nan 0.000 0.477 466 N N -1.078 117.564 118.700 -0.096 0.000 2.325 466 N HA 0.086 4.826 4.740 0.000 0.000 0.182 466 N C 0.991 176.433 175.510 -0.113 0.000 1.088 466 N CA 0.982 53.984 53.050 -0.080 0.000 0.879 466 N CB 0.589 39.032 38.487 -0.073 0.000 0.983 466 N HN 0.279 nan 8.380 nan 0.000 0.471 467 G N -0.095 108.548 108.800 -0.263 0.000 2.149 467 G HA2 -0.311 3.649 3.960 0.000 0.000 0.235 467 G HA3 -0.311 3.649 3.960 0.000 0.000 0.235 467 G C -0.293 174.478 174.900 -0.214 0.000 1.018 467 G CA 0.100 45.006 45.100 -0.323 0.000 0.728 467 G HN 0.605 nan 8.290 nan 0.000 0.508 468 R N -0.382 119.961 120.500 -0.262 0.000 2.668 468 R HA 0.639 4.980 4.340 0.000 0.000 0.279 468 R C -0.219 176.005 176.300 -0.127 0.000 0.976 468 R CA -0.633 55.396 56.100 -0.118 0.000 0.978 468 R CB 1.477 31.726 30.300 -0.085 0.000 1.133 468 R HN 0.084 nan 8.270 nan 0.000 0.484 469 V N 4.554 124.462 119.914 -0.011 0.000 2.383 469 V HA 0.443 4.563 4.120 0.000 0.000 0.275 469 V C 0.329 176.397 176.094 -0.044 0.000 1.036 469 V CA -0.411 61.893 62.300 0.006 0.000 0.889 469 V CB 1.167 33.037 31.823 0.079 0.000 0.985 469 V HN 0.738 nan 8.190 nan 0.000 0.459 470 R N 3.096 123.541 120.500 -0.091 0.000 2.930 470 R HA 0.811 5.151 4.340 0.000 0.000 0.257 470 R C -1.631 174.570 176.300 -0.164 0.000 1.107 470 R CA -0.676 55.362 56.100 -0.105 0.000 0.999 470 R CB 2.330 32.575 30.300 -0.091 0.000 1.209 470 R HN 0.464 nan 8.270 nan 0.000 0.486 471 V N 1.913 121.735 119.914 -0.154 0.000 2.347 471 V HA 0.162 4.282 4.120 0.000 0.000 0.280 471 V C -0.643 175.376 176.094 -0.125 0.000 1.021 471 V CA -0.601 61.590 62.300 -0.182 0.000 0.847 471 V CB 1.182 32.918 31.823 -0.145 0.000 0.990 471 V HN 0.717 nan 8.190 nan 0.000 0.444 472 D N 3.507 123.821 120.400 -0.143 0.000 2.352 472 D HA 0.140 4.780 4.640 0.000 0.000 0.245 472 D C 1.591 177.831 176.300 -0.101 0.000 1.224 472 D CA 0.153 54.079 54.000 -0.123 0.000 0.879 472 D CB 1.228 41.938 40.800 -0.151 0.000 1.057 472 D HN 0.754 nan 8.370 nan 0.000 0.491 473 T N 0.234 114.746 114.554 -0.071 0.000 3.118 473 T HA -0.060 4.290 4.350 0.000 0.000 0.269 473 T C 1.589 176.255 174.700 -0.057 0.000 1.166 473 T CA 0.657 62.727 62.100 -0.049 0.000 1.073 473 T CB -0.007 68.840 68.868 -0.034 0.000 0.884 473 T HN 0.366 nan 8.240 nan 0.000 0.550 474 G N 0.526 109.278 108.800 -0.080 0.000 2.559 474 G HA2 0.208 4.169 3.960 0.000 0.000 0.209 474 G HA3 0.208 4.169 3.960 0.000 0.000 0.209 474 G C 0.577 175.412 174.900 -0.108 0.000 1.151 474 G CA -0.360 44.688 45.100 -0.086 0.000 0.824 474 G HN 0.509 nan 8.290 nan 0.000 0.543 475 S N 1.775 117.386 115.700 -0.147 0.000 2.409 475 S HA 0.324 4.794 4.470 0.000 0.000 0.308 475 S C -0.467 174.004 174.600 -0.216 0.000 1.080 475 S CA -0.670 57.411 58.200 -0.198 0.000 1.081 475 S CB 0.512 63.554 63.200 -0.265 0.000 1.009 475 S HN 0.493 nan 8.310 nan 0.000 0.502 476 N N 2.336 120.943 118.700 -0.154 0.000 2.362 476 N HA 0.140 4.880 4.740 0.000 0.000 0.298 476 N C 0.602 176.073 175.510 -0.064 0.000 1.048 476 N CA -0.660 52.339 53.050 -0.085 0.000 0.858 476 N CB 0.707 39.199 38.487 0.008 0.000 1.218 476 N HN 0.508 nan 8.380 nan 0.000 0.488 477 W N 2.339 123.646 121.300 0.011 0.000 2.277 477 W HA -0.252 4.407 4.660 -0.001 0.000 0.327 477 W C 2.383 178.868 176.519 -0.056 0.000 1.284 477 W CA 1.552 58.897 57.345 -0.000 0.000 1.277 477 W CB -0.719 28.768 29.460 0.045 0.000 1.141 477 W HN 0.544 nan 8.180 nan 0.000 0.482 478 S N -0.198 115.599 115.700 0.162 0.000 2.428 478 S HA -0.277 4.194 4.470 0.000 0.000 0.240 478 S C 1.379 175.996 174.600 0.028 0.000 1.036 478 S CA 1.937 60.166 58.200 0.047 0.000 1.009 478 S CB -0.395 62.822 63.200 0.028 0.000 0.803 478 S HN 0.483 nan 8.310 nan 0.000 0.486 479 E N -0.101 120.108 120.200 0.015 0.000 2.102 479 E HA 0.038 4.388 4.350 0.000 0.000 0.190 479 E C 1.853 178.442 176.600 -0.019 0.000 0.971 479 E CA 0.650 57.040 56.400 -0.017 0.000 0.821 479 E CB 0.027 29.698 29.700 -0.049 0.000 0.777 479 E HN 0.265 nan 8.360 nan 0.000 0.460 480 V N 1.430 121.328 119.914 -0.026 0.000 3.217 480 V HA -0.109 4.011 4.120 0.000 0.000 0.264 480 V C 1.990 178.128 176.094 0.073 0.000 1.135 480 V CA 0.800 63.082 62.300 -0.030 0.000 1.142 480 V CB -0.219 31.503 31.823 -0.170 0.000 0.754 480 V HN 0.183 nan 8.190 nan 0.000 0.484 481 L N -0.075 121.231 121.223 0.138 0.000 2.023 481 L HA -0.041 4.299 4.340 0.000 0.000 0.205 481 L C 0.086 176.984 176.870 0.047 0.000 1.073 481 L CA 1.895 56.823 54.840 0.146 0.000 0.745 481 L CB -1.429 40.707 42.059 0.128 0.000 0.900 481 L HN 0.298 nan 8.230 nan 0.000 0.435 482 P HA -0.250 nan 4.420 nan 0.000 0.216 482 P C 1.351 178.649 177.300 -0.003 0.000 1.167 482 P CA 1.402 64.506 63.100 0.006 0.000 0.914 482 P CB -0.080 31.621 31.700 0.002 0.000 0.793 483 Q N -0.943 118.856 119.800 -0.002 0.000 2.062 483 Q HA -0.204 4.136 4.340 0.000 0.000 0.209 483 Q C 2.209 178.199 176.000 -0.016 0.000 0.996 483 Q CA 1.597 57.395 55.803 -0.007 0.000 0.859 483 Q CB -1.488 27.247 28.738 -0.005 0.000 0.920 483 Q HN 0.291 nan 8.270 nan 0.000 0.415 484 I N 1.450 122.004 120.570 -0.027 0.000 2.091 484 I HA -0.312 3.858 4.170 0.000 0.000 0.239 484 I C 2.476 178.536 176.117 -0.095 0.000 1.061 484 I CA 1.594 62.846 61.300 -0.080 0.000 1.317 484 I CB -0.746 37.150 38.000 -0.173 0.000 1.031 484 I HN 0.283 nan 8.210 nan 0.000 0.401 485 Q N -0.109 119.640 119.800 -0.084 0.000 2.308 485 Q HA -0.209 4.131 4.340 0.000 0.000 0.209 485 Q C 1.306 177.294 176.000 -0.021 0.000 0.985 485 Q CA 1.127 56.900 55.803 -0.049 0.000 0.881 485 Q CB -0.212 28.518 28.738 -0.014 0.000 0.917 485 Q HN 0.508 nan 8.270 nan 0.000 0.443 486 E N 0.008 120.197 120.200 -0.018 0.000 2.474 486 E HA 0.011 4.361 4.350 0.000 0.000 0.195 486 E C 0.627 177.222 176.600 -0.009 0.000 1.039 486 E CA 0.552 56.947 56.400 -0.008 0.000 0.881 486 E CB 0.913 30.610 29.700 -0.006 0.000 0.970 486 E HN 0.385 nan 8.360 nan 0.000 0.486 487 T N -1.911 112.634 114.554 -0.015 0.000 3.794 487 T HA 0.205 4.556 4.350 0.000 0.000 0.300 487 T C 0.023 174.714 174.700 -0.016 0.000 0.961 487 T CA -0.545 61.550 62.100 -0.010 0.000 1.025 487 T CB -0.247 68.619 68.868 -0.003 0.000 1.175 487 T HN -0.024 nan 8.240 nan 0.000 0.474 488 T N -1.031 113.509 114.554 -0.022 0.000 2.894 488 T HA 0.808 5.158 4.350 0.000 0.000 0.309 488 T C -0.636 174.056 174.700 -0.012 0.000 1.208 488 T CA -0.779 61.304 62.100 -0.028 0.000 1.016 488 T CB 1.642 70.472 68.868 -0.064 0.000 1.192 488 T HN 0.535 nan 8.240 nan 0.000 0.491 489 A N 2.350 125.163 122.820 -0.011 0.000 2.289 489 A HA 0.716 5.036 4.320 0.000 0.000 0.298 489 A C 0.367 177.960 177.584 0.014 0.000 1.208 489 A CA -0.781 51.261 52.037 0.008 0.000 0.845 489 A CB 0.422 19.420 19.000 -0.003 0.000 1.125 489 A HN 0.798 nan 8.150 nan 0.000 0.517 490 R N 3.528 124.059 120.500 0.051 0.000 2.338 490 R HA 0.603 4.943 4.340 0.000 0.000 0.317 490 R C -1.620 174.723 176.300 0.070 0.000 0.968 490 R CA -0.298 55.839 56.100 0.061 0.000 0.849 490 R CB 0.458 30.811 30.300 0.090 0.000 1.128 490 R HN 0.702 nan 8.270 nan 0.000 0.448 491 I N 5.906 126.519 120.570 0.071 0.000 2.466 491 I HA 0.328 4.498 4.170 0.000 0.000 0.289 491 I C -0.110 176.085 176.117 0.129 0.000 1.026 491 I CA -0.998 60.355 61.300 0.087 0.000 1.078 491 I CB 2.013 40.107 38.000 0.156 0.000 1.249 491 I HN 0.343 nan 8.210 nan 0.000 0.429 492 I N 6.047 126.560 120.570 -0.094 0.000 2.353 492 I HA 0.418 4.588 4.170 0.000 0.000 0.293 492 I C -0.578 175.438 176.117 -0.168 0.000 0.992 492 I CA -0.330 60.860 61.300 -0.183 0.000 1.268 492 I CB 1.142 38.812 38.000 -0.550 0.000 1.387 492 I HN 0.405 nan 8.210 nan 0.000 0.478 493 F N 6.740 126.456 119.950 -0.390 0.000 2.613 493 F HA 0.477 5.004 4.527 0.000 0.000 0.310 493 F C -0.817 174.743 175.800 -0.399 0.000 1.085 493 F CA -0.996 56.638 58.000 -0.610 0.000 0.945 493 F CB 1.831 40.004 39.000 -1.378 0.000 1.298 493 F HN 0.540 nan 8.300 nan 0.000 0.455 494 N N 2.215 120.161 118.700 -1.257 0.000 2.733 494 N HA 0.291 5.031 4.740 0.000 0.000 0.271 494 N C -0.216 174.731 175.510 -0.937 0.000 1.720 494 N CA -0.115 52.428 53.050 -0.845 0.000 0.803 494 N CB 0.591 38.796 38.487 -0.469 0.000 1.208 494 N HN 0.750 nan 8.380 nan 0.000 0.498 495 G N 1.222 109.257 108.800 -1.275 0.000 2.763 495 G HA2 -0.037 3.923 3.960 0.000 0.000 0.205 495 G HA3 -0.037 3.923 3.960 0.000 0.000 0.205 495 G C 1.150 176.107 174.900 0.096 0.000 1.137 495 G CA -0.051 44.798 45.100 -0.417 0.000 0.839 495 G HN 0.277 nan 8.290 nan 0.000 0.596 496 K N -0.106 120.385 120.400 0.152 0.000 2.107 496 K HA -0.080 4.240 4.320 0.000 0.000 0.211 496 K C 0.011 176.667 176.600 0.092 0.000 1.049 496 K CA 1.552 57.974 56.287 0.225 0.000 0.927 496 K CB -0.030 32.581 32.500 0.186 0.000 0.714 496 K HN 0.255 nan 8.250 nan 0.000 0.452 497 D N -2.177 118.219 120.400 -0.006 0.000 2.710 497 D HA 0.070 4.711 4.640 0.000 0.000 0.276 497 D C -0.547 175.682 176.300 -0.119 0.000 1.267 497 D CA -0.556 53.422 54.000 -0.036 0.000 0.772 497 D CB 0.991 41.786 40.800 -0.009 0.000 1.299 497 D HN -0.239 nan 8.370 nan 0.000 0.421 498 L N 1.644 122.781 121.223 -0.143 0.000 2.933 498 L HA 0.094 4.435 4.340 0.000 0.000 0.258 498 L C -0.281 176.494 176.870 -0.157 0.000 1.253 498 L CA 0.790 55.507 54.840 -0.205 0.000 1.096 498 L CB -2.247 39.642 42.059 -0.282 0.000 1.432 498 L HN 0.104 nan 8.230 nan 0.000 0.418 499 N N 0.018 118.634 118.700 -0.140 0.000 2.362 499 N HA 0.410 5.150 4.740 0.000 0.000 0.298 499 N C -0.381 175.034 175.510 -0.158 0.000 1.048 499 N CA -0.545 52.436 53.050 -0.115 0.000 0.858 499 N CB 1.778 40.233 38.487 -0.052 0.000 1.218 499 N HN 0.050 nan 8.380 nan 0.000 0.488 500 L N 1.586 122.708 121.223 -0.168 0.000 2.410 500 L HA 0.283 4.623 4.340 0.000 0.000 0.273 500 L C -0.462 176.331 176.870 -0.129 0.000 1.144 500 L CA -0.421 54.297 54.840 -0.203 0.000 0.863 500 L CB 0.032 41.950 42.059 -0.234 0.000 1.140 500 L HN 0.181 nan 8.230 nan 0.000 0.463 501 V N 3.027 122.890 119.914 -0.084 0.000 2.495 501 V HA 0.346 4.466 4.120 0.000 0.000 0.298 501 V C -0.058 176.093 176.094 0.094 0.000 1.031 501 V CA -0.732 61.593 62.300 0.043 0.000 0.871 501 V CB 1.771 33.703 31.823 0.182 0.000 0.988 501 V HN 0.742 nan 8.190 nan 0.000 0.432 502 E N 4.270 124.496 120.200 0.043 0.000 2.204 502 E HA 0.705 5.056 4.350 0.000 0.000 0.276 502 E C -1.019 175.618 176.600 0.061 0.000 0.974 502 E CA -0.840 55.592 56.400 0.053 0.000 0.815 502 E CB 1.145 30.865 29.700 0.033 0.000 1.119 502 E HN 0.513 nan 8.360 nan 0.000 0.393 503 R N 2.690 123.227 120.500 0.062 0.000 2.594 503 R HA 0.377 4.717 4.340 0.000 0.000 0.265 503 R C -1.200 175.101 176.300 0.002 0.000 1.070 503 R CA -0.700 55.383 56.100 -0.028 0.000 0.909 503 R CB 1.727 31.763 30.300 -0.439 0.000 1.243 503 R HN 0.634 nan 8.270 nan 0.000 0.455 504 R N 1.651 122.169 120.500 0.031 0.000 2.562 504 R HA 0.617 4.957 4.340 0.000 0.000 0.298 504 R C -0.284 175.975 176.300 -0.069 0.000 0.961 504 R CA -0.853 55.225 56.100 -0.036 0.000 0.881 504 R CB 1.593 31.828 30.300 -0.109 0.000 1.159 504 R HN 0.310 nan 8.270 nan 0.000 0.450 505 I N 1.224 121.753 120.570 -0.069 0.000 2.648 505 I HA 0.321 4.491 4.170 0.000 0.000 0.304 505 I C 0.274 176.367 176.117 -0.040 0.000 1.009 505 I CA -0.579 60.678 61.300 -0.073 0.000 1.114 505 I CB 1.940 39.884 38.000 -0.092 0.000 1.293 505 I HN 0.661 nan 8.210 nan 0.000 0.449 506 A N 4.264 127.072 122.820 -0.021 0.000 2.897 506 A HA 0.596 4.916 4.320 0.000 0.000 0.287 506 A C 0.464 178.047 177.584 -0.001 0.000 1.748 506 A CA -0.134 51.905 52.037 0.003 0.000 1.397 506 A CB -1.231 17.790 19.000 0.036 0.000 1.049 506 A HN 0.763 nan 8.150 nan 0.000 0.592 507 A N 2.073 124.888 122.820 -0.009 0.000 2.302 507 A HA 0.619 4.939 4.320 0.000 0.000 0.285 507 A C 0.746 178.329 177.584 -0.002 0.000 1.105 507 A CA 0.086 52.117 52.037 -0.009 0.000 0.816 507 A CB 0.323 19.316 19.000 -0.012 0.000 1.067 507 A HN 1.774 nan 8.150 nan 0.000 0.489 508 V N 0.253 120.165 119.914 -0.003 0.000 3.556 508 V HA 0.666 4.786 4.120 0.000 0.000 0.292 508 V C 0.023 176.115 176.094 -0.003 0.000 1.030 508 V CA -0.704 61.596 62.300 0.000 0.000 1.009 508 V CB 1.259 33.082 31.823 -0.000 0.000 1.242 508 V HN 0.949 nan 8.190 nan 0.000 0.431 509 N N 0.508 119.208 118.700 -0.002 0.000 2.537 509 N HA 0.367 5.107 4.740 0.000 0.000 0.281 509 N C -2.124 173.384 175.510 -0.003 0.000 1.097 509 N CA -1.136 51.912 53.050 -0.004 0.000 0.964 509 N CB 2.358 40.844 38.487 -0.002 0.000 1.588 509 N HN 0.495 nan 8.380 nan 0.000 0.511 510 P HA -0.129 nan 4.420 nan 0.000 0.214 510 P C 1.062 178.360 177.300 -0.003 0.000 1.163 510 P CA 1.351 64.449 63.100 -0.004 0.000 0.883 510 P CB 0.291 31.987 31.700 -0.007 0.000 0.788 511 S N -0.236 115.462 115.700 -0.004 0.000 2.387 511 S HA -0.139 4.331 4.470 0.000 0.000 0.230 511 S C 1.066 175.665 174.600 -0.002 0.000 1.035 511 S CA 1.221 59.419 58.200 -0.003 0.000 1.014 511 S CB -1.023 62.174 63.200 -0.005 0.000 0.836 511 S HN 0.285 nan 8.310 nan 0.000 0.466 512 D N 1.391 121.791 120.400 -0.001 0.000 2.411 512 D HA 0.246 4.887 4.640 0.000 0.000 0.225 512 D C -1.900 174.403 176.300 0.004 0.000 1.156 512 D CA -2.534 51.467 54.000 0.001 0.000 0.874 512 D CB 1.240 42.041 40.800 0.002 0.000 1.034 512 D HN -0.058 nan 8.370 nan 0.000 0.502 513 P HA -0.229 nan 4.420 nan 0.000 0.216 513 P C 1.640 178.945 177.300 0.009 0.000 1.167 513 P CA 0.700 63.804 63.100 0.005 0.000 0.914 513 P CB 0.193 31.895 31.700 0.004 0.000 0.793 514 L N 0.126 121.355 121.223 0.010 0.000 1.990 514 L HA -0.192 4.148 4.340 0.000 0.000 0.213 514 L C 1.946 178.826 176.870 0.017 0.000 1.072 514 L CA 2.096 56.945 54.840 0.015 0.000 0.755 514 L CB -1.625 40.443 42.059 0.016 0.000 0.889 514 L HN -0.163 nan 8.230 nan 0.000 0.432 515 E N -0.750 119.459 120.200 0.014 0.000 2.463 515 E HA -0.098 4.252 4.350 0.000 0.000 0.201 515 E C 1.518 178.126 176.600 0.013 0.000 1.045 515 E CA 1.070 57.478 56.400 0.014 0.000 0.872 515 E CB -0.350 29.356 29.700 0.009 0.000 0.797 515 E HN 0.571 nan 8.360 nan 0.000 0.538 516 T N -1.152 113.409 114.554 0.011 0.000 3.188 516 T HA 0.064 4.414 4.350 0.000 0.000 0.250 516 T C 1.079 175.787 174.700 0.014 0.000 1.077 516 T CA 0.460 62.566 62.100 0.010 0.000 0.967 516 T CB 0.225 69.097 68.868 0.007 0.000 1.006 516 T HN 0.045 nan 8.240 nan 0.000 0.552 517 T N 1.147 115.712 114.554 0.018 0.000 3.014 517 T HA 0.139 4.489 4.350 0.000 0.000 0.250 517 T C 0.746 175.463 174.700 0.028 0.000 1.060 517 T CA -0.008 62.105 62.100 0.023 0.000 1.040 517 T CB 0.319 69.203 68.868 0.025 0.000 0.971 517 T HN 0.370 nan 8.240 nan 0.000 0.497 518 K N 2.506 122.922 120.400 0.027 0.000 2.355 518 K HA 0.237 4.557 4.320 0.000 0.000 0.270 518 K C -2.680 173.936 176.600 0.028 0.000 1.003 518 K CA -1.464 54.842 56.287 0.032 0.000 0.957 518 K CB 0.011 32.528 32.500 0.028 0.000 0.939 518 K HN 0.037 nan 8.250 nan 0.000 0.482 519 P HA -0.061 nan 4.420 nan 0.000 0.270 519 P C -0.797 176.511 177.300 0.014 0.000 1.223 519 P CA 0.060 63.176 63.100 0.026 0.000 0.785 519 P CB 0.449 32.169 31.700 0.032 0.000 0.923 520 D N 1.410 121.813 120.400 0.007 0.000 2.389 520 D HA 0.161 4.801 4.640 0.000 0.000 0.247 520 D C -0.071 176.224 176.300 -0.008 0.000 1.128 520 D CA 0.576 54.575 54.000 -0.002 0.000 0.884 520 D CB 0.448 41.246 40.800 -0.003 0.000 1.194 520 D HN 0.166 nan 8.370 nan 0.000 0.441 521 M N 1.833 121.425 119.600 -0.015 0.000 2.227 521 M HA 0.181 4.662 4.480 0.000 0.000 0.335 521 M C -0.567 175.715 176.300 -0.030 0.000 1.053 521 M CA -0.499 54.787 55.300 -0.025 0.000 0.973 521 M CB 1.615 34.198 32.600 -0.028 0.000 1.623 521 M HN 0.242 nan 8.290 nan 0.000 0.434 522 T N 2.213 116.746 114.554 -0.035 0.000 2.824 522 T HA 0.356 4.706 4.350 0.000 0.000 0.280 522 T C 0.721 175.395 174.700 -0.042 0.000 0.995 522 T CA -0.918 61.162 62.100 -0.034 0.000 1.009 522 T CB 1.040 69.891 68.868 -0.028 0.000 0.955 522 T HN 0.707 nan 8.240 nan 0.000 0.452 523 L N 1.811 123.013 121.223 -0.035 0.000 2.263 523 L HA 0.016 4.356 4.340 0.000 0.000 0.216 523 L C 2.244 179.078 176.870 -0.060 0.000 1.111 523 L CA 1.770 56.593 54.840 -0.028 0.000 0.773 523 L CB -0.859 41.214 42.059 0.023 0.000 0.906 523 L HN 0.910 nan 8.230 nan 0.000 0.439 524 K N -0.386 119.984 120.400 -0.050 0.000 1.974 524 K HA -0.236 4.084 4.320 0.000 0.000 0.211 524 K C 2.063 178.614 176.600 -0.081 0.000 1.039 524 K CA 1.363 57.615 56.287 -0.059 0.000 0.947 524 K CB -0.271 32.218 32.500 -0.018 0.000 0.735 524 K HN 0.266 nan 8.250 nan 0.000 0.441 525 E N 0.542 120.706 120.200 -0.059 0.000 2.108 525 E HA -0.284 4.067 4.350 0.000 0.000 0.203 525 E C 1.595 178.132 176.600 -0.105 0.000 1.022 525 E CA 1.975 58.334 56.400 -0.069 0.000 0.823 525 E CB -0.376 29.287 29.700 -0.062 0.000 0.744 525 E HN 0.452 nan 8.360 nan 0.000 0.456 526 A N 0.280 123.033 122.820 -0.111 0.000 1.859 526 A HA -0.243 4.077 4.320 0.000 0.000 0.218 526 A C 2.172 179.663 177.584 -0.155 0.000 1.209 526 A CA 2.026 53.982 52.037 -0.134 0.000 0.639 526 A CB -1.152 17.785 19.000 -0.105 0.000 0.835 526 A HN 0.354 nan 8.150 nan 0.000 0.450 527 L N -0.236 120.865 121.223 -0.203 0.000 2.189 527 L HA -0.204 4.137 4.340 0.000 0.000 0.214 527 L C 2.425 179.218 176.870 -0.129 0.000 1.097 527 L CA 2.024 56.672 54.840 -0.321 0.000 0.764 527 L CB -0.462 41.068 42.059 -0.882 0.000 0.900 527 L HN 0.395 nan 8.230 nan 0.000 0.436 528 K N -0.336 120.022 120.400 -0.070 0.000 2.001 528 K HA -0.080 4.240 4.320 0.000 0.000 0.208 528 K C 1.965 178.576 176.600 0.019 0.000 1.048 528 K CA 1.844 58.156 56.287 0.041 0.000 0.932 528 K CB -0.192 32.315 32.500 0.012 0.000 0.715 528 K HN 0.434 nan 8.250 nan 0.000 0.437 529 I N -2.844 117.673 120.570 -0.089 0.000 3.035 529 I HA 0.122 4.292 4.170 0.000 0.000 0.271 529 I C 2.200 178.196 176.117 -0.200 0.000 1.190 529 I CA 0.590 61.800 61.300 -0.150 0.000 1.472 529 I CB -0.195 37.610 38.000 -0.326 0.000 1.116 529 I HN -0.127 nan 8.210 nan 0.000 0.443 530 A N 1.059 123.719 122.820 -0.268 0.000 1.969 530 A HA 0.035 4.356 4.320 0.000 0.000 0.218 530 A C 1.724 178.837 177.584 -0.785 0.000 1.169 530 A CA 1.614 53.331 52.037 -0.532 0.000 0.635 530 A CB -0.500 18.139 19.000 -0.602 0.000 0.810 530 A HN 0.520 nan 8.150 nan 0.000 0.445 531 F N -3.348 116.557 119.950 -0.074 0.000 2.268 531 F HA 0.464 4.991 4.527 0.000 0.000 0.262 531 F C 1.909 177.784 175.800 0.125 0.000 0.910 531 F CA 0.597 58.588 58.000 -0.014 0.000 1.142 531 F CB 0.261 39.158 39.000 -0.172 0.000 1.229 531 F HN 0.245 nan 8.300 nan 0.000 0.781 532 G N -0.922 108.135 108.800 0.428 0.000 4.226 532 G HA2 -0.012 3.948 3.960 0.000 0.000 0.220 532 G HA3 -0.012 3.948 3.960 0.000 0.000 0.220 532 G C -0.240 174.902 174.900 0.402 0.000 0.817 532 G CA -0.722 44.603 45.100 0.376 0.000 0.879 532 G HN -0.028 nan 8.290 nan 0.000 0.669 533 F N 3.049 123.126 119.950 0.212 0.000 2.637 533 F HA 0.244 4.771 4.527 0.000 0.000 0.372 533 F C 1.171 177.028 175.800 0.096 0.000 1.107 533 F CA 0.605 58.700 58.000 0.159 0.000 1.325 533 F CB 0.430 39.446 39.000 0.027 0.000 1.016 533 F HN 0.430 nan 8.300 nan 0.000 0.593 534 N N 0.831 119.667 118.700 0.227 0.000 2.831 534 N HA 0.355 5.095 4.740 0.000 0.000 0.276 534 N C -1.733 173.855 175.510 0.131 0.000 1.416 534 N CA -1.002 52.135 53.050 0.144 0.000 0.799 534 N CB 1.490 40.029 38.487 0.087 0.000 1.554 534 N HN 0.548 nan 8.380 nan 0.000 0.541 535 E N 0.076 120.334 120.200 0.097 0.000 2.149 535 E HA 0.324 4.674 4.350 0.000 0.000 0.255 535 E C -1.799 174.841 176.600 0.068 0.000 0.888 535 E CA -1.494 54.959 56.400 0.088 0.000 0.742 535 E CB 1.796 31.543 29.700 0.079 0.000 1.164 535 E HN 0.441 nan 8.360 nan 0.000 0.422 536 P HA -0.054 nan 4.420 nan 0.000 0.199 536 P C 0.174 177.501 177.300 0.046 0.000 1.169 536 P CA 0.917 64.046 63.100 0.049 0.000 0.900 536 P CB 0.305 32.033 31.700 0.046 0.000 0.733 537 N N -2.107 116.621 118.700 0.047 0.000 2.234 537 N HA 0.291 5.031 4.740 0.000 0.000 0.227 537 N C 0.549 176.087 175.510 0.047 0.000 1.151 537 N CA 0.521 53.596 53.050 0.042 0.000 0.865 537 N CB 0.940 39.449 38.487 0.036 0.000 1.066 537 N HN 0.255 nan 8.380 nan 0.000 0.515 538 G N 0.367 109.200 108.800 0.056 0.000 2.672 538 G HA2 -0.169 3.791 3.960 0.000 0.000 0.197 538 G HA3 -0.169 3.791 3.960 0.000 0.000 0.197 538 G C -0.302 174.642 174.900 0.074 0.000 0.995 538 G CA -0.638 44.498 45.100 0.059 0.000 0.754 538 G HN 0.230 nan 8.290 nan 0.000 0.505 539 N N -0.156 118.594 118.700 0.083 0.000 2.482 539 N HA 0.627 5.367 4.740 0.000 0.000 0.279 539 N C -1.042 174.549 175.510 0.135 0.000 1.182 539 N CA -0.671 52.444 53.050 0.108 0.000 0.969 539 N CB 1.927 40.478 38.487 0.106 0.000 1.201 539 N HN 0.147 nan 8.380 nan 0.000 0.523 540 L N 1.924 123.256 121.223 0.181 0.000 2.297 540 L HA 0.255 4.595 4.340 0.000 0.000 0.277 540 L C -0.614 176.451 176.870 0.324 0.000 1.040 540 L CA -0.137 54.849 54.840 0.242 0.000 0.867 540 L CB 0.127 42.333 42.059 0.245 0.000 1.244 540 L HN 0.558 nan 8.230 nan 0.000 0.433 541 Q N 3.318 123.269 119.800 0.251 0.000 2.458 541 Q HA 0.374 4.714 4.340 0.000 0.000 0.282 541 Q C -1.571 174.410 176.000 -0.033 0.000 1.106 541 Q CA -0.951 54.963 55.803 0.185 0.000 0.814 541 Q CB 1.888 30.703 28.738 0.128 0.000 1.425 541 Q HN 0.524 nan 8.270 nan 0.000 0.437 542 Y N 1.822 121.868 120.300 -0.424 0.000 2.717 542 Y HA 0.220 4.770 4.550 0.000 0.000 0.329 542 Y C -0.748 175.024 175.900 -0.214 0.000 1.017 542 Y CA -0.346 57.326 58.100 -0.714 0.000 1.275 542 Y CB 0.171 37.776 38.460 -1.425 0.000 1.109 542 Y HN 0.897 nan 8.280 nan 0.000 0.511 543 Q N 4.407 123.894 119.800 -0.523 0.000 2.453 543 Q HA -0.271 4.069 4.340 0.000 0.000 0.330 543 Q C 1.035 176.903 176.000 -0.220 0.000 1.417 543 Q CA 1.065 56.617 55.803 -0.418 0.000 0.902 543 Q CB -1.387 26.957 28.738 -0.657 0.000 1.154 543 Q HN 1.256 nan 8.270 nan 0.000 0.395 544 G N -0.059 108.679 108.800 -0.103 0.000 4.165 544 G HA2 -0.336 3.625 3.960 0.000 0.000 0.211 544 G HA3 -0.336 3.625 3.960 0.000 0.000 0.211 544 G C -0.097 174.822 174.900 0.033 0.000 1.469 544 G CA -0.044 45.039 45.100 -0.028 0.000 0.964 544 G HN 0.291 nan 8.290 nan 0.000 0.613 545 K N 2.394 122.837 120.400 0.071 0.000 2.491 545 K HA 0.239 4.559 4.320 0.000 0.000 0.279 545 K C -0.237 176.523 176.600 0.268 0.000 1.026 545 K CA 0.317 56.707 56.287 0.171 0.000 1.070 545 K CB 0.628 33.302 32.500 0.291 0.000 0.887 545 K HN 0.459 nan 8.250 nan 0.000 0.481 546 D N 2.942 123.485 120.400 0.238 0.000 2.345 546 D HA -0.034 4.607 4.640 0.000 0.000 0.247 546 D C 1.127 177.734 176.300 0.513 0.000 1.108 546 D CA -0.358 53.820 54.000 0.296 0.000 0.894 546 D CB 0.931 41.847 40.800 0.193 0.000 1.203 546 D HN 0.374 nan 8.370 nan 0.000 0.430 547 I N 3.619 124.545 120.570 0.594 0.000 2.229 547 I HA -0.350 3.820 4.170 0.000 0.000 0.250 547 I C 2.261 178.912 176.117 0.890 0.000 1.096 547 I CA 2.529 64.318 61.300 0.814 0.000 1.358 547 I CB -0.638 37.748 38.000 0.644 0.000 1.047 547 I HN 0.648 nan 8.210 nan 0.000 0.422 548 T N -2.658 112.235 114.554 0.564 0.000 2.946 548 T HA -0.167 4.183 4.350 0.000 0.000 0.271 548 T C 1.553 176.382 174.700 0.216 0.000 1.104 548 T CA 1.403 63.643 62.100 0.233 0.000 1.114 548 T CB -0.699 68.128 68.868 -0.068 0.000 0.867 548 T HN 0.572 nan 8.240 nan 0.000 0.513 549 E N 0.002 120.350 120.200 0.247 0.000 2.494 549 E HA 0.212 4.562 4.350 0.000 0.000 0.193 549 E C -0.760 175.685 176.600 -0.258 0.000 1.074 549 E CA -0.084 56.273 56.400 -0.072 0.000 0.867 549 E CB 0.084 29.627 29.700 -0.262 0.000 0.924 549 E HN 0.573 nan 8.360 nan 0.000 0.502 550 F N -0.200 119.990 119.950 0.400 0.000 2.561 550 F HA 0.307 4.834 4.527 0.000 0.000 0.321 550 F C 0.055 176.122 175.800 0.445 0.000 1.065 550 F CA -1.426 56.801 58.000 0.378 0.000 0.934 550 F CB 1.278 40.502 39.000 0.374 0.000 1.215 550 F HN -0.305 nan 8.300 nan 0.000 0.471 551 D N 0.940 121.636 120.400 0.494 0.000 2.280 551 D HA 0.374 5.014 4.640 0.000 0.000 0.236 551 D C -1.158 175.311 176.300 0.281 0.000 1.082 551 D CA -0.182 54.066 54.000 0.414 0.000 0.834 551 D CB 0.569 41.541 40.800 0.287 0.000 1.100 551 D HN 0.106 nan 8.370 nan 0.000 0.486 552 F N 2.898 122.850 119.950 0.004 0.000 2.427 552 F HA 0.357 4.885 4.527 0.001 0.000 0.352 552 F C 0.913 176.388 175.800 -0.541 0.000 1.100 552 F CA -0.319 57.524 58.000 -0.262 0.000 1.191 552 F CB 0.668 39.523 39.000 -0.241 0.000 1.128 552 F HN 0.223 nan 8.300 nan 0.000 0.533 553 N N 3.265 121.612 118.700 -0.587 0.000 2.310 553 N HA 0.459 5.199 4.740 0.000 0.000 0.292 553 N C -1.352 173.870 175.510 -0.479 0.000 1.049 553 N CA -0.247 52.512 53.050 -0.485 0.000 0.849 553 N CB 1.900 40.346 38.487 -0.069 0.000 1.532 553 N HN 0.237 nan 8.380 nan 0.000 0.479 554 F N -0.146 119.968 119.950 0.273 0.000 2.782 554 F HA 0.443 4.970 4.527 0.000 0.000 0.366 554 F C 0.372 176.220 175.800 0.080 0.000 1.171 554 F CA -0.858 57.297 58.000 0.258 0.000 1.064 554 F CB 0.269 39.364 39.000 0.158 0.000 1.449 554 F HN 0.339 nan 8.300 nan 0.000 0.520 555 D N -1.533 118.984 120.400 0.196 0.000 2.449 555 D HA 0.311 4.952 4.640 0.000 0.000 0.250 555 D C 0.426 176.739 176.300 0.022 0.000 1.050 555 D CA -0.637 53.315 54.000 -0.080 0.000 1.024 555 D CB 0.683 41.346 40.800 -0.229 0.000 1.218 555 D HN 0.492 nan 8.370 nan 0.000 0.566 556 Q N -0.845 118.939 119.800 -0.027 0.000 2.029 556 Q HA -0.260 4.080 4.340 0.000 0.000 0.209 556 Q C 1.817 177.822 176.000 0.007 0.000 0.999 556 Q CA 1.740 57.545 55.803 0.002 0.000 0.857 556 Q CB -0.181 28.543 28.738 -0.022 0.000 0.926 556 Q HN 0.496 nan 8.270 nan 0.000 0.415 557 Q N -0.156 119.636 119.800 -0.014 0.000 1.948 557 Q HA -0.149 4.191 4.340 0.000 0.000 0.205 557 Q C 2.245 178.236 176.000 -0.015 0.000 0.992 557 Q CA 2.008 57.802 55.803 -0.015 0.000 0.849 557 Q CB -1.146 27.579 28.738 -0.021 0.000 0.918 557 Q HN 0.402 nan 8.270 nan 0.000 0.421 558 T N 1.425 115.979 114.554 -0.001 0.000 2.721 558 T HA -0.197 4.153 4.350 0.000 0.000 0.268 558 T C 2.011 176.632 174.700 -0.132 0.000 1.038 558 T CA 1.640 63.708 62.100 -0.053 0.000 1.145 558 T CB -0.379 68.511 68.868 0.036 0.000 0.858 558 T HN 0.337 nan 8.240 nan 0.000 0.459 559 S N 0.383 116.092 115.700 0.015 0.000 2.398 559 S HA -0.220 4.250 4.470 0.000 0.000 0.220 559 S C 2.198 176.785 174.600 -0.022 0.000 1.038 559 S CA 1.429 59.666 58.200 0.061 0.000 1.080 559 S CB -0.462 62.826 63.200 0.146 0.000 1.039 559 S HN 0.411 nan 8.310 nan 0.000 0.419 560 Q N 1.159 120.957 119.800 -0.003 0.000 1.998 560 Q HA -0.188 4.152 4.340 0.000 0.000 0.209 560 Q C 2.183 178.155 176.000 -0.046 0.000 1.002 560 Q CA 1.614 57.409 55.803 -0.014 0.000 0.858 560 Q CB -1.224 27.510 28.738 -0.007 0.000 0.932 560 Q HN 0.601 nan 8.270 nan 0.000 0.416 561 N N 0.560 119.223 118.700 -0.062 0.000 2.314 561 N HA -0.172 4.568 4.740 0.000 0.000 0.191 561 N C 1.612 177.057 175.510 -0.109 0.000 1.007 561 N CA 1.066 54.070 53.050 -0.077 0.000 0.883 561 N CB -0.071 38.368 38.487 -0.081 0.000 0.969 561 N HN 0.328 nan 8.380 nan 0.000 0.441 562 I N -0.247 120.230 120.570 -0.155 0.000 2.729 562 I HA -0.093 4.077 4.170 0.000 0.000 0.256 562 I C 2.329 178.388 176.117 -0.097 0.000 1.115 562 I CA 0.134 61.326 61.300 -0.180 0.000 1.446 562 I CB -0.299 37.489 38.000 -0.353 0.000 1.176 562 I HN -0.013 nan 8.210 nan 0.000 0.446 563 K N 1.544 121.907 120.400 -0.061 0.000 2.089 563 K HA -0.228 4.092 4.320 0.000 0.000 0.210 563 K C 1.771 178.359 176.600 -0.020 0.000 1.048 563 K CA 1.790 58.067 56.287 -0.017 0.000 0.926 563 K CB -0.085 32.420 32.500 0.009 0.000 0.714 563 K HN 0.276 nan 8.250 nan 0.000 0.448 564 N N 0.695 119.379 118.700 -0.028 0.000 2.381 564 N HA -0.123 4.617 4.740 0.000 0.000 0.182 564 N C 1.527 177.022 175.510 -0.026 0.000 1.025 564 N CA 0.958 53.995 53.050 -0.022 0.000 0.888 564 N CB 0.100 38.574 38.487 -0.023 0.000 0.965 564 N HN 0.441 nan 8.380 nan 0.000 0.438 565 Q N 0.072 119.848 119.800 -0.039 0.000 2.269 565 Q HA 0.137 4.477 4.340 0.000 0.000 0.201 565 Q C 1.985 177.967 176.000 -0.030 0.000 0.946 565 Q CA 0.369 56.149 55.803 -0.038 0.000 0.877 565 Q CB 0.263 28.968 28.738 -0.054 0.000 0.963 565 Q HN 0.341 nan 8.270 nan 0.000 0.472 566 L N -0.071 121.135 121.223 -0.029 0.000 2.240 566 L HA -0.053 4.287 4.340 0.000 0.000 0.211 566 L C 2.381 179.246 176.870 -0.008 0.000 1.106 566 L CA 0.579 55.409 54.840 -0.018 0.000 0.793 566 L CB -0.441 41.611 42.059 -0.013 0.000 0.927 566 L HN 0.164 nan 8.230 nan 0.000 0.446 567 A N 0.451 123.266 122.820 -0.008 0.000 1.841 567 A HA -0.186 4.135 4.320 0.000 0.000 0.214 567 A C 1.969 179.551 177.584 -0.003 0.000 1.195 567 A CA 1.331 53.366 52.037 -0.003 0.000 0.611 567 A CB -0.428 18.570 19.000 -0.003 0.000 0.835 567 A HN 0.419 nan 8.150 nan 0.000 0.443 568 E N -0.621 119.575 120.200 -0.007 0.000 2.526 568 E HA 0.100 4.450 4.350 0.000 0.000 0.198 568 E C 0.420 177.017 176.600 -0.005 0.000 1.091 568 E CA 0.155 56.551 56.400 -0.006 0.000 0.880 568 E CB -0.088 29.607 29.700 -0.008 0.000 0.873 568 E HN 0.580 nan 8.360 nan 0.000 0.527 569 L N 0.078 121.298 121.223 -0.005 0.000 3.086 569 L HA 0.148 4.488 4.340 0.000 0.000 0.274 569 L C -0.277 176.593 176.870 0.001 0.000 1.184 569 L CA -0.441 54.397 54.840 -0.003 0.000 1.002 569 L CB 0.289 42.343 42.059 -0.008 0.000 1.383 569 L HN -0.008 nan 8.230 nan 0.000 0.582 570 N N 2.519 121.221 118.700 0.002 0.000 2.580 570 N HA -0.165 4.575 4.740 0.000 0.000 0.301 570 N C -0.343 175.172 175.510 0.009 0.000 1.276 570 N CA 1.175 54.229 53.050 0.006 0.000 0.711 570 N CB -0.239 38.252 38.487 0.006 0.000 0.978 570 N HN 0.464 nan 8.380 nan 0.000 0.538 571 A N 0.773 123.599 122.820 0.010 0.000 2.590 571 A HA 0.529 4.849 4.320 0.000 0.000 0.296 571 A C 0.552 178.147 177.584 0.019 0.000 1.050 571 A CA 0.097 52.143 52.037 0.015 0.000 0.697 571 A CB 1.210 20.218 19.000 0.014 0.000 1.277 571 A HN 0.338 nan 8.150 nan 0.000 0.411 572 T N -0.027 114.543 114.554 0.027 0.000 3.018 572 T HA 0.111 4.461 4.350 0.000 0.000 0.246 572 T C 0.469 175.198 174.700 0.049 0.000 1.026 572 T CA 0.808 62.929 62.100 0.034 0.000 1.081 572 T CB -0.310 68.578 68.868 0.033 0.000 0.970 572 T HN 0.554 nan 8.240 nan 0.000 0.475 573 N N 2.328 121.063 118.700 0.058 0.000 2.469 573 N HA 0.152 4.892 4.740 0.000 0.000 0.239 573 N C 1.131 176.698 175.510 0.095 0.000 1.053 573 N CA -0.080 53.031 53.050 0.101 0.000 0.937 573 N CB 0.745 39.289 38.487 0.094 0.000 1.163 573 N HN 0.444 nan 8.380 nan 0.000 0.509 574 I N 4.311 124.914 120.570 0.056 0.000 2.208 574 I HA -0.306 3.864 4.170 0.000 0.000 0.245 574 I C 0.889 176.931 176.117 -0.124 0.000 1.097 574 I CA 1.471 62.714 61.300 -0.096 0.000 1.363 574 I CB -0.004 37.830 38.000 -0.278 0.000 1.051 574 I HN 0.543 nan 8.210 nan 0.000 0.413 575 Y N 1.176 121.393 120.300 -0.138 0.000 2.516 575 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 575 Y C 2.454 178.342 175.900 -0.020 0.000 1.166 575 Y CA 1.437 59.489 58.100 -0.080 0.000 1.350 575 Y CB -0.899 37.550 38.460 -0.019 0.000 0.967 575 Y HN 0.279 nan 8.280 nan 0.000 0.568 576 T N -0.708 113.915 114.554 0.115 0.000 2.739 576 T HA -0.106 4.244 4.350 0.000 0.000 0.249 576 T C 1.747 176.469 174.700 0.037 0.000 1.050 576 T CA 1.396 63.541 62.100 0.075 0.000 1.165 576 T CB -0.823 68.079 68.868 0.057 0.000 0.872 576 T HN 0.254 nan 8.240 nan 0.000 0.411 577 V N 0.880 120.799 119.914 0.009 0.000 3.570 577 V HA 0.238 4.358 4.120 0.000 0.000 0.293 577 V C 1.848 177.925 176.094 -0.028 0.000 1.237 577 V CA 0.280 62.576 62.300 -0.008 0.000 1.226 577 V CB -1.525 30.289 31.823 -0.015 0.000 1.028 577 V HN 0.163 nan 8.190 nan 0.000 0.430 578 L N 2.658 123.861 121.223 -0.032 0.000 2.127 578 L HA -0.119 4.221 4.340 0.000 0.000 0.211 578 L C 2.122 178.980 176.870 -0.019 0.000 1.089 578 L CA 2.260 57.071 54.840 -0.048 0.000 0.757 578 L CB -0.589 41.450 42.059 -0.033 0.000 0.899 578 L HN 0.784 nan 8.230 nan 0.000 0.434 579 D N -1.881 118.517 120.400 -0.003 0.000 2.370 579 D HA -0.046 4.594 4.640 0.000 0.000 0.230 579 D C 0.764 177.060 176.300 -0.006 0.000 1.143 579 D CA 0.124 54.124 54.000 -0.001 0.000 0.834 579 D CB 0.091 40.899 40.800 0.014 0.000 0.944 579 D HN 0.351 nan 8.370 nan 0.000 0.504 580 K N 0.158 120.549 120.400 -0.015 0.000 2.603 580 K HA 0.196 4.516 4.320 0.000 0.000 0.195 580 K C -0.198 176.385 176.600 -0.027 0.000 1.213 580 K CA -0.433 55.845 56.287 -0.016 0.000 1.084 580 K CB 1.481 33.974 32.500 -0.010 0.000 0.981 580 K HN 0.034 nan 8.250 nan 0.000 0.577 581 I N 3.049 123.598 120.570 -0.036 0.000 2.291 581 I HA 0.157 4.327 4.170 0.000 0.000 0.292 581 I C 0.271 176.360 176.117 -0.046 0.000 1.064 581 I CA -0.454 60.816 61.300 -0.050 0.000 1.269 581 I CB 0.387 38.349 38.000 -0.064 0.000 1.418 581 I HN -0.117 nan 8.210 nan 0.000 0.485 582 K N 6.427 126.800 120.400 -0.045 0.000 2.355 582 K HA 0.409 4.729 4.320 0.000 0.000 0.270 582 K C -0.336 176.235 176.600 -0.049 0.000 1.003 582 K CA -0.342 55.921 56.287 -0.040 0.000 0.957 582 K CB 1.196 33.676 32.500 -0.033 0.000 0.939 582 K HN 0.469 nan 8.250 nan 0.000 0.482 583 L N 2.616 123.815 121.223 -0.040 0.000 2.341 583 L HA 0.360 4.700 4.340 0.000 0.000 0.278 583 L C 0.120 176.971 176.870 -0.030 0.000 1.005 583 L CA -0.493 54.322 54.840 -0.040 0.000 0.818 583 L CB 1.591 43.629 42.059 -0.034 0.000 1.259 583 L HN 0.566 nan 8.230 nan 0.000 0.418 584 N N 0.935 119.616 118.700 -0.031 0.000 2.384 584 N HA 0.667 5.407 4.740 0.000 0.000 0.301 584 N C -0.451 175.052 175.510 -0.012 0.000 1.133 584 N CA -0.768 52.269 53.050 -0.021 0.000 0.853 584 N CB 2.010 40.483 38.487 -0.024 0.000 1.241 584 N HN 0.661 nan 8.380 nan 0.000 0.502 585 A N 0.853 123.668 122.820 -0.008 0.000 2.429 585 A HA 0.120 4.440 4.320 0.000 0.000 0.242 585 A C 0.591 178.177 177.584 0.004 0.000 1.088 585 A CA 0.342 52.377 52.037 -0.003 0.000 0.784 585 A CB -0.020 18.978 19.000 -0.003 0.000 1.038 585 A HN 0.965 nan 8.150 nan 0.000 0.501 586 K N -1.820 118.587 120.400 0.012 0.000 3.547 586 K HA -0.189 4.132 4.320 0.000 0.000 0.309 586 K C 0.138 176.763 176.600 0.043 0.000 1.324 586 K CA 1.413 57.714 56.287 0.024 0.000 0.988 586 K CB -1.632 30.875 32.500 0.011 0.000 1.261 586 K HN 0.763 nan 8.250 nan 0.000 0.444 587 M N 1.628 121.253 119.600 0.042 0.000 2.211 587 M HA 0.120 4.601 4.480 0.000 0.000 0.356 587 M C -0.533 175.846 176.300 0.132 0.000 1.216 587 M CA 0.414 55.751 55.300 0.061 0.000 1.134 587 M CB 0.534 33.146 32.600 0.021 0.000 1.564 587 M HN 0.092 nan 8.290 nan 0.000 0.463 588 N N 5.462 124.299 118.700 0.229 0.000 2.372 588 N HA 0.594 5.334 4.740 0.000 0.000 0.285 588 N C -1.492 174.323 175.510 0.509 0.000 1.008 588 N CA -0.629 52.658 53.050 0.395 0.000 0.880 588 N CB 1.908 40.781 38.487 0.643 0.000 1.239 588 N HN 0.516 nan 8.380 nan 0.000 0.484 589 I N 1.638 122.407 120.570 0.331 0.000 2.828 589 I HA 0.366 4.536 4.170 0.000 0.000 0.302 589 I C -1.204 174.894 176.117 -0.032 0.000 1.101 589 I CA -0.917 60.574 61.300 0.319 0.000 1.031 589 I CB 2.404 40.577 38.000 0.289 0.000 1.231 589 I HN 0.292 nan 8.210 nan 0.000 0.427 590 L N 6.845 127.993 121.223 -0.126 0.000 2.480 590 L HA 0.454 4.794 4.340 0.000 0.000 0.253 590 L C -0.942 175.760 176.870 -0.281 0.000 1.324 590 L CA -0.296 54.377 54.840 -0.279 0.000 0.916 590 L CB 0.494 42.365 42.059 -0.313 0.000 1.160 590 L HN 0.263 nan 8.230 nan 0.000 0.503 591 I N 4.071 124.445 120.570 -0.328 0.000 2.421 591 I HA 0.253 4.424 4.170 0.000 0.000 0.291 591 I C 0.644 176.743 176.117 -0.029 0.000 1.089 591 I CA 0.318 61.423 61.300 -0.326 0.000 1.354 591 I CB -0.098 37.575 38.000 -0.545 0.000 1.413 591 I HN 0.639 nan 8.210 nan 0.000 0.513 592 R N 3.655 124.192 120.500 0.061 0.000 2.854 592 R HA 0.494 4.834 4.340 0.000 0.000 0.271 592 R C -0.620 175.929 176.300 0.414 0.000 0.994 592 R CA -0.942 55.205 56.100 0.078 0.000 0.945 592 R CB 1.739 31.928 30.300 -0.185 0.000 1.194 592 R HN 0.367 nan 8.270 nan 0.000 0.476 593 D N 1.333 121.959 120.400 0.377 0.000 2.458 593 D HA -0.021 4.619 4.640 0.000 0.000 0.243 593 D C 0.170 176.652 176.300 0.304 0.000 1.146 593 D CA 0.364 54.506 54.000 0.238 0.000 0.877 593 D CB 1.331 42.252 40.800 0.201 0.000 1.176 593 D HN 0.616 nan 8.370 nan 0.000 0.461 594 K N 3.335 123.802 120.400 0.111 0.000 2.296 594 K HA -0.020 4.300 4.320 0.000 0.000 0.200 594 K C 1.921 178.563 176.600 0.071 0.000 1.048 594 K CA 0.264 56.632 56.287 0.136 0.000 0.966 594 K CB 0.307 32.855 32.500 0.081 0.000 0.754 594 K HN 0.355 nan 8.250 nan 0.000 0.466 595 R N -0.229 120.292 120.500 0.035 0.000 2.103 595 R HA -0.116 4.224 4.340 0.000 0.000 0.242 595 R C 0.325 176.433 176.300 -0.320 0.000 1.142 595 R CA 1.090 57.089 56.100 -0.169 0.000 0.960 595 R CB -0.204 29.906 30.300 -0.316 0.000 0.858 595 R HN 0.022 nan 8.270 nan 0.000 0.439 596 F N -0.909 118.903 119.950 -0.231 0.000 2.410 596 F HA 0.313 4.840 4.527 0.001 0.000 0.324 596 F C 0.809 176.311 175.800 -0.497 0.000 1.093 596 F CA -0.927 56.844 58.000 -0.383 0.000 1.028 596 F CB 0.368 39.114 39.000 -0.424 0.000 1.309 596 F HN -0.135 nan 8.300 nan 0.000 0.499 597 H N -0.837 118.046 119.070 -0.312 0.000 2.472 597 H HA 0.413 4.970 4.556 0.000 0.000 0.335 597 H C -1.313 173.769 175.328 -0.410 0.000 1.136 597 H CA -0.637 55.234 56.048 -0.295 0.000 1.264 597 H CB 1.238 30.934 29.762 -0.110 0.000 1.486 597 H HN 0.405 nan 8.280 nan 0.000 0.517 598 Y N 0.754 121.152 120.300 0.163 0.000 2.570 598 Y HA 0.114 4.664 4.550 0.001 0.000 0.345 598 Y C 0.287 176.224 175.900 0.061 0.000 1.014 598 Y CA -1.083 57.072 58.100 0.092 0.000 1.063 598 Y CB 1.160 39.659 38.460 0.066 0.000 1.272 598 Y HN 0.711 nan 8.280 nan 0.000 0.477 599 D N -0.243 120.293 120.400 0.228 0.000 2.541 599 D HA 0.286 4.926 4.640 0.000 0.000 0.276 599 D C 0.976 177.345 176.300 0.115 0.000 1.190 599 D CA -0.426 53.653 54.000 0.132 0.000 1.095 599 D CB 0.438 41.293 40.800 0.091 0.000 1.173 599 D HN 0.251 nan 8.370 nan 0.000 0.604 600 R N -0.679 119.870 120.500 0.082 0.000 2.083 600 R HA -0.017 4.323 4.340 0.000 0.000 0.237 600 R C 1.272 177.608 176.300 0.059 0.000 1.137 600 R CA 1.493 57.633 56.100 0.068 0.000 0.951 600 R CB -0.977 29.346 30.300 0.038 0.000 0.851 600 R HN 0.452 nan 8.270 nan 0.000 0.434 601 N N 1.136 119.864 118.700 0.046 0.000 2.421 601 N HA 0.014 4.754 4.740 0.000 0.000 0.201 601 N C -0.663 174.867 175.510 0.034 0.000 1.198 601 N CA 0.142 53.213 53.050 0.035 0.000 0.838 601 N CB -0.043 38.453 38.487 0.015 0.000 1.011 601 N HN 0.157 nan 8.380 nan 0.000 0.463 602 N N 0.139 118.864 118.700 0.042 0.000 2.727 602 N HA -0.193 4.547 4.740 0.000 0.000 0.249 602 N C -0.882 174.580 175.510 -0.081 0.000 1.048 602 N CA 0.769 53.792 53.050 -0.045 0.000 0.714 602 N CB -1.268 37.158 38.487 -0.101 0.000 0.959 602 N HN 0.436 nan 8.380 nan 0.000 0.544 603 I N -0.109 120.505 120.570 0.073 0.000 2.577 603 I HA 0.471 4.642 4.170 0.000 0.000 0.305 603 I C 1.039 177.335 176.117 0.298 0.000 0.986 603 I CA -1.041 60.315 61.300 0.093 0.000 1.189 603 I CB 1.407 39.436 38.000 0.049 0.000 1.355 603 I HN 0.078 nan 8.210 nan 0.000 0.476 604 A N 4.374 127.325 122.820 0.218 0.000 2.491 604 A HA 0.380 4.700 4.320 0.000 0.000 0.261 604 A C 0.638 178.274 177.584 0.086 0.000 1.101 604 A CA -0.174 51.951 52.037 0.147 0.000 0.772 604 A CB 0.126 19.051 19.000 -0.124 0.000 1.043 604 A HN 0.645 nan 8.150 nan 0.000 0.501 605 V N 1.863 121.830 119.914 0.087 0.000 3.612 605 V HA 0.527 4.647 4.120 0.000 0.000 0.268 605 V C 0.941 177.075 176.094 0.067 0.000 1.365 605 V CA 0.489 62.834 62.300 0.076 0.000 1.044 605 V CB -0.389 31.486 31.823 0.087 0.000 0.820 605 V HN 1.666 nan 8.190 nan 0.000 0.444 606 G N -0.046 108.804 108.800 0.083 0.000 2.277 606 G HA2 0.562 4.523 3.960 0.000 0.000 0.272 606 G HA3 0.562 4.523 3.960 0.000 0.000 0.272 606 G C -0.747 174.059 174.900 -0.156 0.000 1.692 606 G CA -0.011 45.100 45.100 0.018 0.000 0.926 606 G HN 0.484 nan 8.290 nan 0.000 0.720 607 A N 1.298 123.963 122.820 -0.258 0.000 2.517 607 A HA 0.877 5.197 4.320 0.000 0.000 0.280 607 A C 0.252 177.533 177.584 -0.504 0.000 1.353 607 A CA -0.531 51.200 52.037 -0.512 0.000 0.907 607 A CB 0.479 19.076 19.000 -0.672 0.000 1.495 607 A HN 0.657 nan 8.150 nan 0.000 0.506 608 D N -0.226 119.908 120.400 -0.442 0.000 2.358 608 D HA 0.140 4.780 4.640 0.000 0.000 0.244 608 D C 0.927 177.109 176.300 -0.197 0.000 1.163 608 D CA -0.002 53.826 54.000 -0.286 0.000 0.945 608 D CB 0.626 41.310 40.800 -0.194 0.000 1.152 608 D HN 0.584 nan 8.370 nan 0.000 0.451 609 E N 0.446 120.565 120.200 -0.134 0.000 2.038 609 E HA -0.155 4.196 4.350 0.000 0.000 0.195 609 E C 1.936 178.487 176.600 -0.081 0.000 1.000 609 E CA 1.077 57.420 56.400 -0.095 0.000 0.803 609 E CB -0.081 29.575 29.700 -0.074 0.000 0.750 609 E HN 0.272 nan 8.360 nan 0.000 0.448 610 S N 0.520 116.173 115.700 -0.079 0.000 2.434 610 S HA -0.189 4.281 4.470 0.000 0.000 0.243 610 S C 2.064 176.623 174.600 -0.068 0.000 1.045 610 S CA 1.295 59.456 58.200 -0.064 0.000 1.019 610 S CB -0.237 62.923 63.200 -0.066 0.000 0.811 610 S HN 0.088 nan 8.310 nan 0.000 0.485 611 V N 0.448 120.297 119.914 -0.107 0.000 2.436 611 V HA -0.026 4.094 4.120 0.000 0.000 0.240 611 V C 2.252 178.317 176.094 -0.049 0.000 1.040 611 V CA 0.901 63.129 62.300 -0.120 0.000 1.052 611 V CB -0.738 30.937 31.823 -0.246 0.000 0.707 611 V HN 0.337 nan 8.190 nan 0.000 0.469 612 V N 0.500 120.390 119.914 -0.041 0.000 2.278 612 V HA -0.355 3.765 4.120 0.000 0.000 0.251 612 V C 2.467 178.672 176.094 0.185 0.000 1.062 612 V CA 2.337 64.683 62.300 0.078 0.000 1.038 612 V CB -0.911 30.924 31.823 0.019 0.000 0.646 612 V HN 0.537 nan 8.190 nan 0.000 0.447 613 K N -0.084 120.358 120.400 0.069 0.000 1.985 613 K HA -0.251 4.069 4.320 0.000 0.000 0.210 613 K C 2.222 178.909 176.600 0.144 0.000 1.047 613 K CA 1.721 58.059 56.287 0.086 0.000 0.932 613 K CB -0.340 32.177 32.500 0.029 0.000 0.716 613 K HN 0.393 nan 8.250 nan 0.000 0.439 614 E N 1.050 121.295 120.200 0.076 0.000 2.253 614 E HA -0.219 4.131 4.350 0.000 0.000 0.202 614 E C 1.456 178.097 176.600 0.069 0.000 1.014 614 E CA 1.597 58.029 56.400 0.053 0.000 0.823 614 E CB -0.113 29.591 29.700 0.007 0.000 0.736 614 E HN 0.355 nan 8.360 nan 0.000 0.478 615 A N -1.112 121.774 122.820 0.111 0.000 2.132 615 A HA 0.021 4.341 4.320 0.000 0.000 0.213 615 A C 0.982 178.545 177.584 -0.037 0.000 1.154 615 A CA 0.754 52.809 52.037 0.030 0.000 0.753 615 A CB -0.323 18.669 19.000 -0.012 0.000 0.826 615 A HN 0.324 nan 8.150 nan 0.000 0.469 616 H N -1.303 117.798 119.070 0.053 0.000 2.520 616 H HA 0.235 4.791 4.556 0.000 0.000 0.284 616 H C 1.250 176.616 175.328 0.064 0.000 1.037 616 H CA 0.020 56.104 56.048 0.061 0.000 1.168 616 H CB -0.016 29.797 29.762 0.084 0.000 1.497 616 H HN 0.388 nan 8.280 nan 0.000 0.547 617 R N 1.585 122.169 120.500 0.141 0.000 2.535 617 R HA 0.023 4.363 4.340 0.000 0.000 0.233 617 R C -0.661 175.686 176.300 0.077 0.000 1.202 617 R CA 0.367 56.529 56.100 0.104 0.000 1.205 617 R CB -0.068 30.274 30.300 0.070 0.000 1.153 617 R HN 0.348 nan 8.270 nan 0.000 0.512 618 E N 0.292 120.536 120.200 0.073 0.000 2.373 618 E HA 0.164 4.515 4.350 0.000 0.000 0.251 618 E C -1.400 175.227 176.600 0.045 0.000 0.923 618 E CA -0.539 55.889 56.400 0.047 0.000 0.798 618 E CB 2.254 31.965 29.700 0.019 0.000 1.303 618 E HN -0.022 nan 8.360 nan 0.000 0.412 619 V N 4.809 124.761 119.914 0.064 0.000 2.472 619 V HA 0.252 4.372 4.120 0.000 0.000 0.290 619 V C 0.707 176.822 176.094 0.034 0.000 1.037 619 V CA -0.341 61.992 62.300 0.055 0.000 0.908 619 V CB 1.337 33.241 31.823 0.136 0.000 0.985 619 V HN 0.694 nan 8.190 nan 0.000 0.454 620 I N 1.930 122.508 120.570 0.012 0.000 3.345 620 I HA 0.236 4.407 4.170 0.000 0.000 0.258 620 I C 0.677 176.801 176.117 0.013 0.000 1.134 620 I CA 0.841 62.146 61.300 0.008 0.000 1.457 620 I CB -0.092 37.904 38.000 -0.007 0.000 1.425 620 I HN 0.612 nan 8.210 nan 0.000 0.461 621 N N 1.358 120.065 118.700 0.013 0.000 2.399 621 N HA 0.228 4.968 4.740 0.000 0.000 0.284 621 N C -1.403 174.135 175.510 0.047 0.000 1.025 621 N CA 0.106 53.172 53.050 0.026 0.000 0.885 621 N CB 2.026 40.518 38.487 0.010 0.000 1.339 621 N HN -0.125 nan 8.380 nan 0.000 0.487 622 S N 1.383 117.126 115.700 0.072 0.000 2.438 622 S HA 0.503 4.973 4.470 0.000 0.000 0.316 622 S C -0.377 174.296 174.600 0.122 0.000 1.084 622 S CA -0.530 57.738 58.200 0.113 0.000 1.107 622 S CB 1.214 64.510 63.200 0.159 0.000 0.981 622 S HN 0.570 nan 8.310 nan 0.000 0.466 623 S N 1.053 116.850 115.700 0.162 0.000 2.651 623 S HA 0.522 4.992 4.470 0.000 0.000 0.279 623 S C 0.797 175.532 174.600 0.225 0.000 1.148 623 S CA -0.447 57.849 58.200 0.161 0.000 0.837 623 S CB 1.243 64.530 63.200 0.144 0.000 1.138 623 S HN 0.717 nan 8.310 nan 0.000 0.478 624 T N -0.330 114.324 114.554 0.167 0.000 3.252 624 T HA 0.304 4.654 4.350 0.000 0.000 0.250 624 T C 0.698 175.547 174.700 0.250 0.000 1.123 624 T CA 0.482 62.672 62.100 0.150 0.000 1.006 624 T CB -0.294 68.624 68.868 0.084 0.000 0.992 624 T HN 0.623 nan 8.240 nan 0.000 0.547 625 E N 0.280 120.660 120.200 0.299 0.000 2.256 625 E HA 0.449 4.800 4.350 0.000 0.000 0.198 625 E C 1.129 177.847 176.600 0.197 0.000 0.908 625 E CA 0.112 56.669 56.400 0.263 0.000 0.915 625 E CB 0.707 30.509 29.700 0.170 0.000 0.890 625 E HN 0.589 nan 8.360 nan 0.000 0.484 626 G N 0.174 109.009 108.800 0.058 0.000 2.561 626 G HA2 0.561 4.521 3.960 0.000 0.000 0.310 626 G HA3 0.561 4.521 3.960 0.000 0.000 0.310 626 G C -1.918 172.769 174.900 -0.356 0.000 1.292 626 G CA -0.838 43.863 45.100 -0.665 0.000 0.811 626 G HN -0.024 nan 8.290 nan 0.000 0.482 627 L N 0.036 120.916 121.223 -0.572 0.000 2.408 627 L HA 0.638 4.978 4.340 0.000 0.000 0.268 627 L C -1.307 175.509 176.870 -0.090 0.000 0.986 627 L CA -0.881 53.770 54.840 -0.315 0.000 0.820 627 L CB 2.268 43.998 42.059 -0.547 0.000 1.303 627 L HN 0.452 nan 8.230 nan 0.000 0.411 628 L N 4.435 125.676 121.223 0.030 0.000 2.325 628 L HA 0.711 5.051 4.340 0.000 0.000 0.281 628 L C -1.252 175.613 176.870 -0.009 0.000 1.004 628 L CA -0.102 54.800 54.840 0.104 0.000 0.823 628 L CB 1.327 43.428 42.059 0.070 0.000 1.236 628 L HN 0.359 nan 8.230 nan 0.000 0.415 629 L N 3.559 124.774 121.223 -0.014 0.000 2.303 629 L HA 0.563 4.903 4.340 0.000 0.000 0.256 629 L C 0.080 176.936 176.870 -0.024 0.000 1.034 629 L CA -0.576 54.245 54.840 -0.032 0.000 0.832 629 L CB 1.438 43.462 42.059 -0.058 0.000 1.403 629 L HN 0.466 nan 8.230 nan 0.000 0.419 630 N N 0.314 118.997 118.700 -0.029 0.000 2.714 630 N HA 0.397 5.137 4.740 0.000 0.000 0.298 630 N C -0.638 174.841 175.510 -0.053 0.000 1.298 630 N CA -0.123 52.909 53.050 -0.029 0.000 1.007 630 N CB -0.249 38.228 38.487 -0.018 0.000 1.318 630 N HN 0.502 nan 8.380 nan 0.000 0.516 631 I N 0.189 120.708 120.570 -0.085 0.000 2.775 631 I HA -0.109 4.061 4.170 0.000 0.000 0.290 631 I C 0.647 176.715 176.117 -0.081 0.000 1.203 631 I CA 0.071 61.279 61.300 -0.153 0.000 1.433 631 I CB 0.250 38.142 38.000 -0.182 0.000 1.354 631 I HN 0.303 nan 8.210 nan 0.000 0.579 632 D N 6.997 127.350 120.400 -0.077 0.000 2.412 632 D HA -0.030 4.610 4.640 0.000 0.000 0.257 632 D C 1.167 177.471 176.300 0.007 0.000 1.217 632 D CA -0.147 53.842 54.000 -0.019 0.000 0.897 632 D CB 0.841 41.642 40.800 0.001 0.000 1.132 632 D HN 0.272 nan 8.370 nan 0.000 0.493 633 K N 3.274 123.683 120.400 0.014 0.000 2.107 633 K HA -0.236 4.084 4.320 0.000 0.000 0.211 633 K C 1.042 177.664 176.600 0.038 0.000 1.049 633 K CA 1.563 57.864 56.287 0.023 0.000 0.927 633 K CB -0.456 32.056 32.500 0.020 0.000 0.714 633 K HN 0.522 nan 8.250 nan 0.000 0.452 634 D N 1.078 121.512 120.400 0.057 0.000 2.081 634 D HA -0.099 4.541 4.640 0.000 0.000 0.194 634 D C 2.103 178.490 176.300 0.145 0.000 0.986 634 D CA 1.065 55.114 54.000 0.082 0.000 0.837 634 D CB -0.209 40.673 40.800 0.137 0.000 0.985 634 D HN -0.002 nan 8.370 nan 0.000 0.448 635 I N 1.423 122.125 120.570 0.220 0.000 2.091 635 I HA -0.326 3.844 4.170 0.000 0.000 0.240 635 I C 2.418 178.635 176.117 0.167 0.000 1.046 635 I CA 1.490 62.946 61.300 0.259 0.000 1.306 635 I CB -1.502 36.577 38.000 0.131 0.000 1.018 635 I HN 0.240 nan 8.210 nan 0.000 0.404 636 R N 2.061 122.618 120.500 0.096 0.000 2.204 636 R HA -0.218 4.122 4.340 0.000 0.000 0.253 636 R C 1.733 178.067 176.300 0.056 0.000 1.172 636 R CA 1.766 57.911 56.100 0.074 0.000 0.994 636 R CB -0.709 29.624 30.300 0.054 0.000 0.874 636 R HN 0.405 nan 8.270 nan 0.000 0.462 637 K N 1.184 121.618 120.400 0.057 0.000 2.555 637 K HA 0.026 4.346 4.320 0.000 0.000 0.193 637 K C 1.655 178.274 176.600 0.033 0.000 1.032 637 K CA 1.115 57.420 56.287 0.030 0.000 1.004 637 K CB 0.012 32.514 32.500 0.003 0.000 0.804 637 K HN 0.564 nan 8.250 nan 0.000 0.496 638 I N -2.290 118.321 120.570 0.068 0.000 4.009 638 I HA 0.177 4.347 4.170 0.000 0.000 0.331 638 I C -0.782 175.355 176.117 0.034 0.000 1.462 638 I CA -0.367 60.976 61.300 0.072 0.000 1.117 638 I CB 0.489 38.588 38.000 0.166 0.000 1.091 638 I HN -0.190 nan 8.210 nan 0.000 0.410 639 L N 1.426 122.650 121.223 0.002 0.000 2.319 639 L HA 0.360 4.700 4.340 0.000 0.000 0.281 639 L C 1.447 178.266 176.870 -0.086 0.000 1.005 639 L CA 0.094 54.893 54.840 -0.068 0.000 0.828 639 L CB 1.200 43.176 42.059 -0.139 0.000 1.227 639 L HN 0.163 nan 8.230 nan 0.000 0.415 640 S N 2.709 118.373 115.700 -0.060 0.000 2.356 640 S HA 0.090 4.560 4.470 0.000 0.000 0.223 640 S C 0.800 175.395 174.600 -0.009 0.000 1.032 640 S CA 1.286 59.484 58.200 -0.003 0.000 1.005 640 S CB 0.301 63.518 63.200 0.028 0.000 0.867 640 S HN 0.927 nan 8.310 nan 0.000 0.449 641 G N -1.651 107.080 108.800 -0.115 0.000 2.427 641 G HA2 0.513 4.473 3.960 0.000 0.000 0.306 641 G HA3 0.513 4.473 3.960 0.000 0.000 0.306 641 G C -2.098 172.629 174.900 -0.289 0.000 1.280 641 G CA -0.727 44.284 45.100 -0.148 0.000 0.837 641 G HN 0.198 nan 8.290 nan 0.000 0.482 642 Y N -1.040 119.316 120.300 0.094 0.000 2.570 642 Y HA 0.781 5.331 4.550 0.000 0.000 0.345 642 Y C 0.236 176.199 175.900 0.105 0.000 1.014 642 Y CA -0.900 57.259 58.100 0.098 0.000 1.063 642 Y CB 2.340 40.841 38.460 0.069 0.000 1.272 642 Y HN 0.390 nan 8.280 nan 0.000 0.477 643 I N 2.188 122.948 120.570 0.317 0.000 2.466 643 I HA 0.467 4.637 4.170 0.000 0.000 0.289 643 I C -1.331 174.831 176.117 0.074 0.000 1.026 643 I CA -0.988 60.429 61.300 0.196 0.000 1.078 643 I CB 1.779 39.932 38.000 0.255 0.000 1.249 643 I HN 0.186 nan 8.210 nan 0.000 0.429 644 V N 6.110 126.058 119.914 0.057 0.000 2.350 644 V HA 0.386 4.506 4.120 0.000 0.000 0.285 644 V C -0.161 175.883 176.094 -0.084 0.000 1.014 644 V CA -0.514 61.772 62.300 -0.023 0.000 0.831 644 V CB 1.257 33.142 31.823 0.102 0.000 1.000 644 V HN 0.863 nan 8.190 nan 0.000 0.433 645 E N 5.427 125.522 120.200 -0.174 0.000 2.404 645 E HA 0.830 5.180 4.350 0.000 0.000 0.264 645 E C -1.302 175.215 176.600 -0.140 0.000 0.946 645 E CA -1.114 55.214 56.400 -0.121 0.000 0.806 645 E CB 2.832 32.483 29.700 -0.083 0.000 1.334 645 E HN 0.442 nan 8.360 nan 0.000 0.429 646 I N 0.715 121.224 120.570 -0.101 0.000 2.478 646 I HA 0.259 4.429 4.170 0.000 0.000 0.287 646 I C -0.788 175.241 176.117 -0.147 0.000 1.042 646 I CA -0.682 60.552 61.300 -0.110 0.000 1.067 646 I CB 2.049 40.009 38.000 -0.068 0.000 1.233 646 I HN 0.620 nan 8.210 nan 0.000 0.431 647 E N 5.750 125.855 120.200 -0.159 0.000 2.174 647 E HA 0.135 4.485 4.350 0.000 0.000 0.282 647 E C -0.825 175.571 176.600 -0.340 0.000 0.992 647 E CA -0.579 55.711 56.400 -0.183 0.000 0.803 647 E CB 1.325 30.966 29.700 -0.098 0.000 1.090 647 E HN 0.495 nan 8.360 nan 0.000 0.396 648 D N 1.927 122.075 120.400 -0.420 0.000 2.371 648 D HA -0.049 4.591 4.640 0.000 0.000 0.242 648 D C 1.023 177.171 176.300 -0.253 0.000 1.218 648 D CA 0.297 53.934 54.000 -0.605 0.000 0.945 648 D CB 1.347 41.906 40.800 -0.402 0.000 1.137 648 D HN 0.614 nan 8.370 nan 0.000 0.464 649 T N -1.141 113.351 114.554 -0.103 0.000 3.025 649 T HA -0.140 4.210 4.350 0.000 0.000 0.270 649 T C 1.364 176.059 174.700 -0.007 0.000 1.126 649 T CA 1.160 63.273 62.100 0.023 0.000 1.105 649 T CB 0.091 69.025 68.868 0.109 0.000 0.884 649 T HN 0.554 nan 8.240 nan 0.000 0.522 650 E N 0.994 121.172 120.200 -0.036 0.000 2.372 650 E HA 0.341 4.691 4.350 0.000 0.000 0.201 650 E C 0.787 177.364 176.600 -0.038 0.000 0.938 650 E CA 0.341 56.725 56.400 -0.026 0.000 0.944 650 E CB 0.403 30.093 29.700 -0.018 0.000 0.937 650 E HN 0.579 nan 8.360 nan 0.000 0.495 651 G N 1.678 110.439 108.800 -0.065 0.000 2.327 651 G HA2 0.027 3.987 3.960 0.000 0.000 0.234 651 G HA3 0.027 3.987 3.960 0.000 0.000 0.234 651 G C -0.837 174.024 174.900 -0.065 0.000 1.884 651 G CA -0.524 44.542 45.100 -0.058 0.000 1.132 651 G HN 0.065 nan 8.290 nan 0.000 0.633 652 L N 0.474 121.637 121.223 -0.101 0.000 2.313 652 L HA 0.776 5.116 4.340 0.000 0.000 0.268 652 L C -0.064 176.763 176.870 -0.072 0.000 1.010 652 L CA -1.201 53.585 54.840 -0.091 0.000 0.814 652 L CB 1.894 43.873 42.059 -0.133 0.000 1.304 652 L HN 0.037 nan 8.230 nan 0.000 0.441 653 K N 1.954 122.327 120.400 -0.044 0.000 2.753 653 K HA 0.293 4.613 4.320 0.000 0.000 0.185 653 K C -1.125 175.466 176.600 -0.014 0.000 1.071 653 K CA -0.150 56.126 56.287 -0.018 0.000 0.999 653 K CB 1.369 33.875 32.500 0.011 0.000 1.244 653 K HN 0.477 nan 8.250 nan 0.000 0.594 654 E N 1.807 121.988 120.200 -0.031 0.000 2.109 654 E HA 0.271 4.621 4.350 0.000 0.000 0.278 654 E C -0.819 175.774 176.600 -0.012 0.000 0.954 654 E CA -0.613 55.779 56.400 -0.014 0.000 0.779 654 E CB 1.234 30.927 29.700 -0.012 0.000 1.093 654 E HN 0.015 nan 8.360 nan 0.000 0.401 655 V N 6.538 126.454 119.914 0.003 0.000 2.398 655 V HA 0.115 4.235 4.120 0.000 0.000 0.286 655 V C 1.411 177.511 176.094 0.010 0.000 1.026 655 V CA -0.595 61.708 62.300 0.004 0.000 0.868 655 V CB 1.167 33.004 31.823 0.023 0.000 0.982 655 V HN 0.782 nan 8.190 nan 0.000 0.443 656 I N 3.452 124.029 120.570 0.012 0.000 2.072 656 I HA -0.111 4.059 4.170 0.000 0.000 0.235 656 I C 1.443 177.581 176.117 0.034 0.000 1.058 656 I CA 1.426 62.747 61.300 0.035 0.000 1.320 656 I CB -0.600 37.431 38.000 0.052 0.000 1.047 656 I HN 0.859 nan 8.210 nan 0.000 0.397 657 N N 2.250 120.973 118.700 0.038 0.000 2.663 657 N HA -0.008 4.733 4.740 0.000 0.000 0.250 657 N C -0.812 174.664 175.510 -0.056 0.000 1.129 657 N CA 0.034 53.068 53.050 -0.028 0.000 0.995 657 N CB 0.507 38.988 38.487 -0.009 0.000 1.324 657 N HN 0.189 nan 8.380 nan 0.000 0.512 658 D N 1.854 122.218 120.400 -0.059 0.000 2.781 658 D HA 0.261 4.901 4.640 0.000 0.000 0.254 658 D C -0.667 175.591 176.300 -0.070 0.000 1.213 658 D CA -0.274 53.703 54.000 -0.039 0.000 0.994 658 D CB 0.196 40.990 40.800 -0.011 0.000 1.019 658 D HN 0.365 nan 8.370 nan 0.000 0.514 659 R N 0.671 121.099 120.500 -0.119 0.000 2.629 659 R HA 0.095 4.435 4.340 0.000 0.000 0.266 659 R C 0.286 176.494 176.300 -0.153 0.000 1.051 659 R CA -0.825 55.175 56.100 -0.168 0.000 0.895 659 R CB 0.653 30.768 30.300 -0.307 0.000 1.246 659 R HN 0.225 nan 8.270 nan 0.000 0.459 660 Y N 0.461 120.739 120.300 -0.037 0.000 2.241 660 Y HA -0.163 4.387 4.550 0.000 0.000 0.286 660 Y C 0.815 176.697 175.900 -0.031 0.000 1.166 660 Y CA 1.909 60.010 58.100 0.001 0.000 1.203 660 Y CB -0.356 38.124 38.460 0.033 0.000 0.977 660 Y HN 0.618 nan 8.280 nan 0.000 0.529 661 D N -0.687 119.324 120.400 -0.648 0.000 2.427 661 D HA 0.119 4.759 4.640 0.000 0.000 0.224 661 D C 0.489 176.488 176.300 -0.501 0.000 1.157 661 D CA 0.129 53.798 54.000 -0.551 0.000 0.828 661 D CB -0.508 39.890 40.800 -0.671 0.000 0.974 661 D HN 0.482 nan 8.370 nan 0.000 0.498 662 M N 0.423 119.713 119.600 -0.517 0.000 2.778 662 M HA 0.300 4.780 4.480 0.000 0.000 0.359 662 M C 0.519 176.598 176.300 -0.367 0.000 1.216 662 M CA -0.084 54.678 55.300 -0.896 0.000 0.935 662 M CB 0.692 32.697 32.600 -0.991 0.000 1.330 662 M HN 0.060 nan 8.290 nan 0.000 0.516 663 L N -0.612 120.538 121.223 -0.123 0.000 2.298 663 L HA 0.105 4.445 4.340 0.000 0.000 0.209 663 L C 1.438 178.384 176.870 0.127 0.000 1.084 663 L CA 0.144 55.011 54.840 0.045 0.000 0.816 663 L CB -0.262 41.844 42.059 0.078 0.000 0.967 663 L HN 0.419 nan 8.230 nan 0.000 0.460 664 N N 2.243 121.024 118.700 0.135 0.000 2.380 664 N HA -0.049 4.691 4.740 0.000 0.000 0.292 664 N C 0.474 176.103 175.510 0.197 0.000 1.302 664 N CA 0.457 53.601 53.050 0.158 0.000 1.007 664 N CB 0.601 39.165 38.487 0.130 0.000 1.408 664 N HN 0.494 nan 8.380 nan 0.000 0.487 665 I N -0.127 120.529 120.570 0.143 0.000 4.866 665 I HA 0.162 4.332 4.170 0.000 0.000 0.325 665 I C 0.198 176.313 176.117 -0.003 0.000 1.240 665 I CA -0.459 60.878 61.300 0.063 0.000 1.355 665 I CB -0.295 37.758 38.000 0.088 0.000 1.395 665 I HN 0.230 nan 8.210 nan 0.000 0.479 666 S N 2.767 118.537 115.700 0.117 0.000 2.457 666 S HA 0.398 4.868 4.470 0.000 0.000 0.294 666 S C 0.121 174.756 174.600 0.058 0.000 1.201 666 S CA -0.391 57.876 58.200 0.113 0.000 1.112 666 S CB 0.095 63.509 63.200 0.357 0.000 1.018 666 S HN 0.365 nan 8.310 nan 0.000 0.511 667 S N 2.680 118.393 115.700 0.021 0.000 2.690 667 S HA 0.645 5.115 4.470 0.000 0.000 0.291 667 S C -0.627 174.034 174.600 0.101 0.000 1.138 667 S CA -0.831 57.407 58.200 0.063 0.000 1.013 667 S CB 1.077 64.327 63.200 0.084 0.000 1.053 667 S HN 0.755 nan 8.310 nan 0.000 0.539 668 L N 2.491 123.761 121.223 0.077 0.000 2.319 668 L HA 0.473 4.813 4.340 0.000 0.000 0.281 668 L C -0.211 176.685 176.870 0.044 0.000 1.005 668 L CA -0.263 54.615 54.840 0.065 0.000 0.828 668 L CB 0.845 42.929 42.059 0.042 0.000 1.227 668 L HN 0.557 nan 8.230 nan 0.000 0.415 669 R N 2.142 122.663 120.500 0.036 0.000 2.594 669 R HA 0.122 4.463 4.340 0.000 0.000 0.272 669 R C 0.739 177.032 176.300 -0.012 0.000 1.074 669 R CA -0.003 56.094 56.100 -0.006 0.000 1.105 669 R CB 0.745 31.017 30.300 -0.046 0.000 1.008 669 R HN 0.717 nan 8.270 nan 0.000 0.472 670 Q N 0.909 120.696 119.800 -0.022 0.000 2.488 670 Q HA -0.117 4.223 4.340 0.000 0.000 0.211 670 Q C 0.352 176.339 176.000 -0.023 0.000 0.967 670 Q CA 1.750 57.541 55.803 -0.020 0.000 0.926 670 Q CB 0.015 28.739 28.738 -0.024 0.000 0.992 670 Q HN 0.689 nan 8.270 nan 0.000 0.506 671 D N -0.629 119.753 120.400 -0.030 0.000 2.363 671 D HA 0.098 4.738 4.640 0.000 0.000 0.226 671 D C 0.993 177.280 176.300 -0.023 0.000 1.020 671 D CA 0.609 54.591 54.000 -0.031 0.000 0.892 671 D CB -0.151 40.622 40.800 -0.045 0.000 0.900 671 D HN 0.374 nan 8.370 nan 0.000 0.531 672 G N -0.134 108.657 108.800 -0.016 0.000 2.142 672 G HA2 -0.256 3.704 3.960 0.000 0.000 0.225 672 G HA3 -0.256 3.704 3.960 0.000 0.000 0.225 672 G C -0.258 174.637 174.900 -0.008 0.000 1.015 672 G CA -0.111 44.984 45.100 -0.009 0.000 0.716 672 G HN 0.453 nan 8.290 nan 0.000 0.508 673 K N 0.514 120.910 120.400 -0.006 0.000 2.507 673 K HA 0.496 4.816 4.320 0.000 0.000 0.251 673 K C -0.122 176.496 176.600 0.029 0.000 0.943 673 K CA -0.733 55.554 56.287 -0.000 0.000 0.794 673 K CB 1.783 34.274 32.500 -0.014 0.000 1.188 673 K HN 0.086 nan 8.250 nan 0.000 0.428 674 T N 2.470 117.045 114.554 0.035 0.000 2.916 674 T HA 0.144 4.494 4.350 0.000 0.000 0.303 674 T C -0.737 174.037 174.700 0.124 0.000 1.025 674 T CA 0.258 62.399 62.100 0.069 0.000 1.142 674 T CB 0.008 68.906 68.868 0.051 0.000 0.947 674 T HN 0.299 nan 8.240 nan 0.000 0.544 675 F N 4.117 124.031 119.950 -0.060 0.000 2.518 675 F HA 0.608 5.135 4.527 0.000 0.000 0.323 675 F C -0.929 174.792 175.800 -0.133 0.000 1.129 675 F CA -1.845 56.090 58.000 -0.109 0.000 0.920 675 F CB 0.640 39.582 39.000 -0.097 0.000 1.160 675 F HN 0.416 nan 8.300 nan 0.000 0.440 676 I N 4.015 124.100 120.570 -0.809 0.000 2.566 676 I HA 0.345 4.515 4.170 0.000 0.000 0.303 676 I C -1.074 174.210 176.117 -1.388 0.000 0.983 676 I CA -0.656 60.119 61.300 -0.875 0.000 1.235 676 I CB 1.756 39.287 38.000 -0.783 0.000 1.386 676 I HN 0.513 nan 8.210 nan 0.000 0.494 677 D N 2.726 122.555 120.400 -0.952 0.000 2.575 677 D HA 0.343 4.983 4.640 0.000 0.000 0.250 677 D C 0.040 176.060 176.300 -0.467 0.000 1.279 677 D CA -0.391 53.138 54.000 -0.785 0.000 0.925 677 D CB 0.910 41.404 40.800 -0.509 0.000 1.261 677 D HN 0.240 nan 8.370 nan 0.000 0.567 678 F N 2.259 122.123 119.950 -0.143 0.000 2.206 678 F HA 0.069 4.596 4.527 0.000 0.000 0.298 678 F C 2.234 178.022 175.800 -0.020 0.000 1.090 678 F CA 0.497 58.467 58.000 -0.051 0.000 1.323 678 F CB -0.337 38.644 39.000 -0.032 0.000 1.028 678 F HN 0.318 nan 8.300 nan 0.000 0.492 679 K N 0.793 121.264 120.400 0.118 0.000 2.074 679 K HA -0.266 4.054 4.320 0.000 0.000 0.209 679 K C 2.069 178.663 176.600 -0.010 0.000 1.048 679 K CA 1.642 57.967 56.287 0.063 0.000 0.926 679 K CB -0.449 32.074 32.500 0.039 0.000 0.713 679 K HN 0.222 nan 8.250 nan 0.000 0.444 680 K N 0.272 120.607 120.400 -0.108 0.000 2.173 680 K HA -0.190 4.130 4.320 0.000 0.000 0.207 680 K C 0.283 176.669 176.600 -0.357 0.000 1.046 680 K CA 1.484 57.605 56.287 -0.278 0.000 0.929 680 K CB 0.000 32.245 32.500 -0.426 0.000 0.720 680 K HN 0.124 nan 8.250 nan 0.000 0.453 681 Y N -0.391 119.920 120.300 0.017 0.000 2.557 681 Y HA 0.234 4.784 4.550 0.000 0.000 0.352 681 Y C -0.206 175.712 175.900 0.029 0.000 0.918 681 Y CA -0.699 57.410 58.100 0.015 0.000 1.232 681 Y CB 0.513 38.980 38.460 0.011 0.000 1.235 681 Y HN 0.074 nan 8.280 nan 0.000 0.596 682 N N 0.486 119.269 118.700 0.140 0.000 2.228 682 N HA 0.052 4.792 4.740 0.000 0.000 0.237 682 N C -1.280 174.267 175.510 0.062 0.000 1.382 682 N CA 0.132 53.243 53.050 0.102 0.000 0.787 682 N CB 0.389 38.942 38.487 0.109 0.000 1.320 682 N HN 0.137 nan 8.380 nan 0.000 0.507 683 D N 1.754 122.185 120.400 0.051 0.000 2.760 683 D HA -0.181 4.459 4.640 0.000 0.000 0.244 683 D C 0.058 176.369 176.300 0.017 0.000 1.123 683 D CA 1.068 55.084 54.000 0.027 0.000 0.719 683 D CB -0.588 40.225 40.800 0.022 0.000 1.045 683 D HN 0.594 nan 8.370 nan 0.000 0.426 684 K N -2.288 118.118 120.400 0.009 0.000 3.553 684 K HA -0.257 4.063 4.320 0.000 0.000 0.280 684 K C 0.788 177.404 176.600 0.027 0.000 1.061 684 K CA 1.485 57.777 56.287 0.008 0.000 1.101 684 K CB -0.837 31.666 32.500 0.004 0.000 1.421 684 K HN 0.419 nan 8.250 nan 0.000 0.440 685 L N 2.515 123.759 121.223 0.034 0.000 2.350 685 L HA 0.303 4.643 4.340 0.000 0.000 0.275 685 L C -1.591 175.322 176.870 0.072 0.000 1.099 685 L CA -2.213 52.655 54.840 0.046 0.000 0.808 685 L CB 0.448 42.528 42.059 0.034 0.000 1.149 685 L HN -0.078 nan 8.230 nan 0.000 0.442 686 P HA 0.017 nan 4.420 nan 0.000 0.274 686 P C -0.109 177.259 177.300 0.113 0.000 1.264 686 P CA -0.374 62.796 63.100 0.117 0.000 0.795 686 P CB 0.651 32.417 31.700 0.111 0.000 1.064 687 L N -0.971 120.311 121.223 0.098 0.000 2.456 687 L HA 0.002 4.342 4.340 0.000 0.000 0.266 687 L C 0.681 177.632 176.870 0.136 0.000 1.258 687 L CA 0.279 55.151 54.840 0.053 0.000 0.823 687 L CB -0.491 41.509 42.059 -0.098 0.000 1.100 687 L HN 0.399 nan 8.230 nan 0.000 0.531 688 Y N 1.366 121.655 120.300 -0.018 0.000 2.447 688 Y HA 0.434 4.984 4.550 0.000 0.000 0.325 688 Y C -0.291 175.614 175.900 0.007 0.000 0.976 688 Y CA -0.926 57.174 58.100 0.000 0.000 1.280 688 Y CB 0.629 39.095 38.460 0.011 0.000 1.104 688 Y HN 0.271 nan 8.280 nan 0.000 0.486 689 I N 5.580 125.944 120.570 -0.344 0.000 2.241 689 I HA 0.057 4.227 4.170 0.000 0.000 0.294 689 I C 1.365 177.104 176.117 -0.631 0.000 1.145 689 I CA 0.040 61.123 61.300 -0.362 0.000 1.261 689 I CB 0.747 38.632 38.000 -0.192 0.000 1.475 689 I HN 0.694 nan 8.210 nan 0.000 0.533 690 S N 4.527 119.776 115.700 -0.751 0.000 2.400 690 S HA -0.128 4.342 4.470 0.000 0.000 0.232 690 S C 0.893 175.156 174.600 -0.563 0.000 1.025 690 S CA 1.332 59.137 58.200 -0.658 0.000 0.993 690 S CB -0.026 63.038 63.200 -0.227 0.000 0.808 690 S HN 0.727 nan 8.310 nan 0.000 0.478 691 N N -0.260 117.951 118.700 -0.814 0.000 2.549 691 N HA 0.255 4.995 4.740 0.000 0.000 0.290 691 N C -2.982 172.195 175.510 -0.555 0.000 1.122 691 N CA -1.499 51.068 53.050 -0.805 0.000 0.885 691 N CB 2.021 39.734 38.487 -1.289 0.000 1.455 691 N HN -0.013 nan 8.380 nan 0.000 0.521 692 P HA 0.047 nan 4.420 nan 0.000 0.274 692 P C -0.325 177.000 177.300 0.042 0.000 1.370 692 P CA 0.604 63.650 63.100 -0.090 0.000 0.760 692 P CB -0.020 31.648 31.700 -0.054 0.000 1.308 693 N N -2.174 116.502 118.700 -0.041 0.000 2.159 693 N HA 0.119 4.859 4.740 0.000 0.000 0.217 693 N C 0.455 176.095 175.510 0.216 0.000 1.223 693 N CA -0.249 52.868 53.050 0.111 0.000 0.896 693 N CB 0.085 38.575 38.487 0.005 0.000 1.064 693 N HN 0.230 nan 8.380 nan 0.000 0.518 694 Y N 1.111 121.418 120.300 0.013 0.000 2.219 694 Y HA 0.207 4.757 4.550 0.000 0.000 0.375 694 Y C 0.560 176.437 175.900 -0.039 0.000 1.333 694 Y CA -0.504 57.582 58.100 -0.024 0.000 1.799 694 Y CB 0.649 39.074 38.460 -0.058 0.000 1.611 694 Y HN -0.359 nan 8.280 nan 0.000 0.635 695 K N 0.747 121.202 120.400 0.092 0.000 2.345 695 K HA 0.429 4.749 4.320 0.000 0.000 0.255 695 K C -1.649 174.913 176.600 -0.065 0.000 0.934 695 K CA -0.692 55.580 56.287 -0.024 0.000 0.801 695 K CB 2.272 34.739 32.500 -0.055 0.000 1.137 695 K HN 0.208 nan 8.250 nan 0.000 0.424 696 V N 3.928 123.781 119.914 -0.103 0.000 2.318 696 V HA 0.186 4.306 4.120 0.000 0.000 0.271 696 V C -0.420 175.592 176.094 -0.136 0.000 1.030 696 V CA -0.896 61.329 62.300 -0.126 0.000 0.844 696 V CB 0.666 32.418 31.823 -0.118 0.000 1.015 696 V HN 0.683 nan 8.190 nan 0.000 0.460 697 N N 3.508 122.097 118.700 -0.185 0.000 2.443 697 N HA 0.649 5.389 4.740 0.000 0.000 0.295 697 N C -0.797 174.505 175.510 -0.348 0.000 1.076 697 N CA -0.271 52.610 53.050 -0.281 0.000 0.919 697 N CB 2.443 40.685 38.487 -0.408 0.000 1.176 697 N HN 0.364 nan 8.380 nan 0.000 0.487 698 V N 2.742 122.491 119.914 -0.275 0.000 2.638 698 V HA 0.442 4.562 4.120 0.000 0.000 0.306 698 V C -1.188 174.853 176.094 -0.088 0.000 1.052 698 V CA -0.718 61.498 62.300 -0.140 0.000 0.885 698 V CB 1.051 32.928 31.823 0.091 0.000 0.999 698 V HN 0.470 nan 8.190 nan 0.000 0.424 699 Y N 1.726 122.134 120.300 0.179 0.000 2.598 699 Y HA 0.868 5.418 4.550 0.000 0.000 0.340 699 Y C 0.372 176.479 175.900 0.345 0.000 1.038 699 Y CA -1.433 56.774 58.100 0.179 0.000 1.100 699 Y CB 2.046 40.571 38.460 0.108 0.000 1.281 699 Y HN 0.732 nan 8.280 nan 0.000 0.488 700 A N 0.815 123.879 122.820 0.406 0.000 2.340 700 A HA 0.820 5.140 4.320 0.000 0.000 0.331 700 A C -1.545 176.064 177.584 0.042 0.000 1.140 700 A CA -0.717 51.426 52.037 0.177 0.000 0.801 700 A CB 0.970 20.047 19.000 0.128 0.000 1.234 700 A HN 0.483 nan 8.150 nan 0.000 0.469 701 V N 2.634 122.515 119.914 -0.055 0.000 2.349 701 V HA 0.360 4.480 4.120 0.000 0.000 0.284 701 V C 0.536 176.606 176.094 -0.041 0.000 1.014 701 V CA -0.326 61.963 62.300 -0.019 0.000 0.826 701 V CB 1.084 32.919 31.823 0.020 0.000 1.009 701 V HN 1.081 nan 8.190 nan 0.000 0.431 702 T N 1.463 116.000 114.554 -0.028 0.000 2.932 702 T HA 0.165 4.515 4.350 0.000 0.000 0.312 702 T C 1.142 175.834 174.700 -0.014 0.000 1.071 702 T CA -0.318 61.770 62.100 -0.021 0.000 1.128 702 T CB 0.968 69.823 68.868 -0.021 0.000 0.984 702 T HN 0.608 nan 8.240 nan 0.000 0.549 703 K N 1.121 121.516 120.400 -0.008 0.000 2.113 703 K HA -0.196 4.124 4.320 0.000 0.000 0.208 703 K C 2.403 178.994 176.600 -0.015 0.000 1.047 703 K CA 2.065 58.342 56.287 -0.017 0.000 0.928 703 K CB -0.143 32.352 32.500 -0.008 0.000 0.716 703 K HN 0.936 nan 8.250 nan 0.000 0.446 704 E N 0.261 120.465 120.200 0.007 0.000 2.268 704 E HA -0.133 4.217 4.350 0.000 0.000 0.195 704 E C 1.303 177.905 176.600 0.004 0.000 0.995 704 E CA 0.928 57.338 56.400 0.016 0.000 0.836 704 E CB 0.007 29.738 29.700 0.051 0.000 0.763 704 E HN 0.229 nan 8.360 nan 0.000 0.491 705 N N 0.515 119.214 118.700 -0.002 0.000 2.368 705 N HA -0.022 4.718 4.740 0.000 0.000 0.178 705 N C 0.419 175.924 175.510 -0.008 0.000 1.076 705 N CA 0.542 53.589 53.050 -0.005 0.000 0.889 705 N CB 0.587 39.070 38.487 -0.006 0.000 1.040 705 N HN 0.121 nan 8.380 nan 0.000 0.463 706 T N 1.607 116.155 114.554 -0.011 0.000 2.900 706 T HA 0.360 4.710 4.350 0.000 0.000 0.307 706 T C 0.446 175.127 174.700 -0.032 0.000 1.065 706 T CA -0.385 61.715 62.100 -0.000 0.000 1.105 706 T CB 0.265 69.132 68.868 -0.001 0.000 0.979 706 T HN 0.150 nan 8.240 nan 0.000 0.544 707 I N 1.909 122.477 120.570 -0.003 0.000 2.982 707 I HA 0.580 4.750 4.170 0.000 0.000 0.312 707 I C 0.168 176.243 176.117 -0.070 0.000 1.041 707 I CA -1.198 60.065 61.300 -0.062 0.000 1.053 707 I CB 1.808 39.769 38.000 -0.065 0.000 1.248 707 I HN 0.569 nan 8.210 nan 0.000 0.471 708 I N -0.726 119.720 120.570 -0.206 0.000 4.439 708 I HA 0.501 4.671 4.170 0.000 0.000 0.331 708 I C -0.357 175.384 176.117 -0.626 0.000 1.345 708 I CA -0.216 60.956 61.300 -0.214 0.000 1.193 708 I CB -0.880 36.992 38.000 -0.214 0.000 1.221 708 I HN 0.641 nan 8.210 nan 0.000 0.429 709 N N 0.219 118.456 118.700 -0.771 0.000 2.494 709 N HA 0.608 5.348 4.740 0.000 0.000 0.270 709 N C -2.889 172.248 175.510 -0.620 0.000 1.285 709 N CA -1.231 51.306 53.050 -0.854 0.000 0.812 709 N CB 1.688 39.919 38.487 -0.426 0.000 1.557 709 N HN -0.226 nan 8.380 nan 0.000 0.487 710 P HA 0.145 nan 4.420 nan 0.000 0.267 710 P C -0.431 176.814 177.300 -0.091 0.000 1.200 710 P CA 0.080 63.122 63.100 -0.097 0.000 0.772 710 P CB 0.518 32.236 31.700 0.028 0.000 0.855 711 S N 1.428 117.102 115.700 -0.043 0.000 2.641 711 S HA -0.033 4.437 4.470 0.000 0.000 0.251 711 S C 1.555 176.137 174.600 -0.030 0.000 1.332 711 S CA -0.504 57.673 58.200 -0.039 0.000 0.968 711 S CB 0.034 63.224 63.200 -0.017 0.000 0.987 711 S HN 0.492 nan 8.310 nan 0.000 0.587 712 E N 1.571 121.756 120.200 -0.025 0.000 2.086 712 E HA -0.263 4.087 4.350 0.000 0.000 0.205 712 E C 1.611 178.206 176.600 -0.009 0.000 1.027 712 E CA 2.246 58.635 56.400 -0.018 0.000 0.830 712 E CB -0.847 28.845 29.700 -0.014 0.000 0.751 712 E HN 0.718 nan 8.360 nan 0.000 0.456 713 N N -0.495 118.204 118.700 -0.002 0.000 2.132 713 N HA -0.007 4.733 4.740 0.000 0.000 0.188 713 N C 1.377 176.894 175.510 0.012 0.000 1.069 713 N CA 1.459 54.512 53.050 0.006 0.000 0.887 713 N CB -0.559 37.933 38.487 0.008 0.000 1.059 713 N HN 0.180 nan 8.380 nan 0.000 0.453 714 G N -1.832 106.980 108.800 0.020 0.000 5.310 714 G HA2 0.052 4.012 3.960 0.000 0.000 0.203 714 G HA3 0.052 4.012 3.960 0.000 0.000 0.203 714 G C -1.324 173.606 174.900 0.049 0.000 0.800 714 G CA -0.438 44.683 45.100 0.035 0.000 0.754 714 G HN 0.161 nan 8.290 nan 0.000 0.308 715 D N 2.463 122.888 120.400 0.042 0.000 2.429 715 D HA 0.163 4.803 4.640 0.000 0.000 0.253 715 D C 1.531 177.887 176.300 0.093 0.000 1.294 715 D CA 0.502 54.532 54.000 0.051 0.000 1.063 715 D CB 0.870 41.691 40.800 0.035 0.000 1.096 715 D HN 0.317 nan 8.370 nan 0.000 0.516 716 T N -1.481 113.139 114.554 0.108 0.000 3.406 716 T HA 0.201 4.551 4.350 0.000 0.000 0.244 716 T C 0.487 175.240 174.700 0.090 0.000 0.949 716 T CA -0.730 61.472 62.100 0.169 0.000 0.926 716 T CB -0.438 68.497 68.868 0.111 0.000 1.089 716 T HN 0.134 nan 8.240 nan 0.000 0.604 717 S N -0.178 115.572 115.700 0.084 0.000 2.600 717 S HA 0.484 4.954 4.470 0.000 0.000 0.300 717 S C 0.666 175.306 174.600 0.066 0.000 1.087 717 S CA -0.491 57.738 58.200 0.049 0.000 0.965 717 S CB 1.461 64.680 63.200 0.033 0.000 1.089 717 S HN 0.380 nan 8.310 nan 0.000 0.496 718 T N -0.591 113.994 114.554 0.053 0.000 3.658 718 T HA 0.068 4.418 4.350 0.000 0.000 0.250 718 T C 0.921 175.657 174.700 0.060 0.000 1.060 718 T CA 0.288 62.428 62.100 0.067 0.000 0.962 718 T CB -1.106 67.806 68.868 0.073 0.000 1.075 718 T HN 0.634 nan 8.240 nan 0.000 0.610 719 N N 2.412 121.141 118.700 0.049 0.000 2.048 719 N HA 0.040 4.780 4.740 0.000 0.000 0.193 719 N C 1.475 177.002 175.510 0.028 0.000 1.061 719 N CA 1.414 54.486 53.050 0.036 0.000 0.849 719 N CB -0.764 37.740 38.487 0.029 0.000 1.044 719 N HN 0.489 nan 8.380 nan 0.000 0.429 720 G N 0.449 109.264 108.800 0.025 0.000 3.213 720 G HA2 0.436 4.396 3.960 0.000 0.000 0.263 720 G HA3 0.436 4.396 3.960 0.000 0.000 0.263 720 G C -0.590 174.319 174.900 0.014 0.000 0.829 720 G CA -0.205 44.903 45.100 0.013 0.000 1.983 720 G HN 0.308 nan 8.290 nan 0.000 0.616 721 I N -0.246 120.333 120.570 0.015 0.000 2.647 721 I HA 0.298 4.468 4.170 0.000 0.000 0.295 721 I C -0.108 176.003 176.117 -0.010 0.000 1.078 721 I CA -0.977 60.332 61.300 0.014 0.000 1.048 721 I CB 3.067 41.092 38.000 0.041 0.000 1.239 721 I HN 0.042 nan 8.210 nan 0.000 0.421 722 K N 6.787 127.176 120.400 -0.018 0.000 2.222 722 K HA 0.201 4.521 4.320 0.000 0.000 0.243 722 K C 0.007 176.572 176.600 -0.058 0.000 1.160 722 K CA -0.465 55.796 56.287 -0.043 0.000 1.090 722 K CB 0.163 32.643 32.500 -0.033 0.000 1.694 722 K HN 0.445 nan 8.250 nan 0.000 0.361 723 K N 2.092 122.437 120.400 -0.092 0.000 2.136 723 K HA 0.293 4.613 4.320 0.000 0.000 0.237 723 K C -0.091 176.386 176.600 -0.205 0.000 1.048 723 K CA -0.396 55.822 56.287 -0.117 0.000 0.880 723 K CB 0.780 33.190 32.500 -0.150 0.000 1.105 723 K HN 0.204 nan 8.250 nan 0.000 0.507 724 I N 0.727 121.197 120.570 -0.166 0.000 2.619 724 I HA 0.160 4.330 4.170 0.000 0.000 0.292 724 I C -0.536 175.559 176.117 -0.038 0.000 1.100 724 I CA -1.092 60.125 61.300 -0.138 0.000 1.043 724 I CB 2.194 40.163 38.000 -0.053 0.000 1.239 724 I HN 0.536 nan 8.210 nan 0.000 0.420 725 L N 6.098 127.289 121.223 -0.054 0.000 2.600 725 L HA 0.118 4.458 4.340 0.000 0.000 0.278 725 L C 0.206 177.163 176.870 0.145 0.000 1.139 725 L CA 0.397 55.338 54.840 0.169 0.000 0.933 725 L CB 0.256 42.362 42.059 0.078 0.000 1.266 725 L HN 0.620 nan 8.230 nan 0.000 0.471 726 I N 5.341 126.039 120.570 0.212 0.000 3.039 726 I HA 0.184 4.354 4.170 0.000 0.000 0.270 726 I C 0.039 176.271 176.117 0.192 0.000 1.150 726 I CA 0.643 61.977 61.300 0.058 0.000 1.448 726 I CB 0.046 38.005 38.000 -0.068 0.000 1.197 726 I HN 0.394 nan 8.210 nan 0.000 0.450 727 F N -0.207 119.744 119.950 0.002 0.000 2.565 727 F HA 0.657 5.185 4.527 0.000 0.000 0.313 727 F C -0.138 175.647 175.800 -0.025 0.000 1.091 727 F CA -1.121 56.869 58.000 -0.017 0.000 0.915 727 F CB 1.902 40.880 39.000 -0.036 0.000 1.208 727 F HN -0.305 nan 8.300 nan 0.000 0.453 728 S N 5.510 120.877 115.700 -0.555 0.000 2.689 728 S HA 0.376 4.846 4.470 0.000 0.000 0.151 728 S C -1.639 172.647 174.600 -0.524 0.000 1.155 728 S CA -0.692 57.264 58.200 -0.406 0.000 1.144 728 S CB -0.228 62.876 63.200 -0.160 0.000 1.526 728 S HN 0.523 nan 8.310 nan 0.000 0.419 729 K N 2.284 122.264 120.400 -0.699 0.000 2.267 729 K HA 0.556 4.876 4.320 0.000 0.000 0.246 729 K C -0.026 176.384 176.600 -0.316 0.000 0.954 729 K CA -0.984 54.996 56.287 -0.511 0.000 0.824 729 K CB 1.107 33.248 32.500 -0.598 0.000 1.167 729 K HN 0.337 nan 8.250 nan 0.000 0.431 730 K N 0.034 120.250 120.400 -0.306 0.000 2.202 730 K HA 0.085 4.405 4.320 0.000 0.000 0.238 730 K C 1.465 177.942 176.600 -0.205 0.000 1.070 730 K CA 0.115 56.244 56.287 -0.264 0.000 0.859 730 K CB 0.026 32.210 32.500 -0.526 0.000 1.140 730 K HN 0.882 nan 8.250 nan 0.000 0.515 731 G N -0.059 108.702 108.800 -0.066 0.000 2.662 731 G HA2 -0.118 3.842 3.960 0.000 0.000 0.212 731 G HA3 -0.118 3.842 3.960 0.000 0.000 0.212 731 G C 0.976 175.905 174.900 0.050 0.000 1.141 731 G CA 0.248 45.350 45.100 0.004 0.000 0.797 731 G HN 0.582 nan 8.290 nan 0.000 0.531 732 Y N -0.288 119.993 120.300 -0.031 0.000 2.461 732 Y HA 0.477 5.027 4.550 0.000 0.000 0.277 732 Y C 1.293 177.188 175.900 -0.008 0.000 1.182 732 Y CA -0.844 57.242 58.100 -0.023 0.000 1.276 732 Y CB -0.110 38.333 38.460 -0.029 0.000 1.087 732 Y HN 0.214 nan 8.280 nan 0.000 0.519 733 E N 0.347 120.402 120.200 -0.241 0.000 2.569 733 E HA 0.297 4.647 4.350 0.000 0.000 0.205 733 E C 0.517 177.089 176.600 -0.046 0.000 1.006 733 E CA 0.097 56.390 56.400 -0.178 0.000 0.985 733 E CB 0.359 29.878 29.700 -0.302 0.000 1.060 733 E HN 0.554 nan 8.360 nan 0.000 0.460 734 I N -0.877 119.692 120.570 -0.001 0.000 4.274 734 I HA 0.340 4.510 4.170 0.000 0.000 0.246 734 I C 1.052 177.204 176.117 0.059 0.000 1.052 734 I CA -0.200 61.134 61.300 0.056 0.000 1.840 734 I CB 0.693 38.737 38.000 0.074 0.000 1.576 734 I HN 0.027 nan 8.210 nan 0.000 0.451 735 G N 0.000 108.833 108.800 0.054 0.000 5.446 735 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 735 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 735 G CA 0.000 45.131 45.100 0.051 0.000 0.502 735 G HN 0.000 nan 8.290 nan 0.000 0.925