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_M 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 2.565 122.461 119.914 -0.030 0.000 2.529 175 V HA 0.306 4.426 4.120 -0.000 0.000 0.292 175 V C -1.677 174.391 176.094 -0.042 0.000 1.028 175 V CA -1.032 61.246 62.300 -0.037 0.000 1.074 175 V CB 0.020 31.814 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 -0.683 176.589 177.300 -0.048 0.000 1.215 176 P CA 0.165 63.244 63.100 -0.034 0.000 0.763 176 P CB 0.256 31.941 31.700 -0.024 0.000 0.806 177 D N 2.194 122.567 120.400 -0.044 0.000 2.381 177 D HA 0.122 4.762 4.640 -0.000 0.000 0.245 177 D C 0.843 177.129 176.300 -0.023 0.000 1.297 177 D CA -0.384 53.585 54.000 -0.052 0.000 0.931 177 D CB 0.557 41.310 40.800 -0.077 0.000 1.334 177 D HN 0.045 nan 8.370 nan 0.000 0.535 178 R N 0.672 121.165 120.500 -0.012 0.000 2.092 178 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 178 R C 0.963 177.281 176.300 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 -0.847 119.574 120.400 0.036 0.000 2.317 179 D HA -0.131 4.509 4.640 -0.000 0.000 0.211 179 D C 0.427 176.809 176.300 0.137 0.000 0.966 179 D CA 0.441 54.496 54.000 0.092 0.000 0.876 179 D CB -0.344 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 0.141 118.878 118.700 0.063 0.000 2.741 180 N HA -0.244 4.496 4.740 -0.000 0.000 0.251 180 N C 0.124 175.684 175.510 0.084 0.000 1.112 180 N CA 1.291 54.379 53.050 0.062 0.000 0.750 180 N CB -1.342 37.202 38.487 0.094 0.000 1.119 180 N HN 0.511 nan 8.380 nan 0.000 0.561 181 D N -2.463 117.944 120.400 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 1.887 55.825 54.000 -0.103 0.000 0.831 181 D CB -0.601 40.048 40.800 -0.252 0.000 0.974 181 D HN 0.594 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 3.849 3.960 -0.000 0.000 0.194 182 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.194 182 G C 0.004 174.515 174.900 -0.648 0.000 1.010 182 G CA -0.125 44.640 45.100 -0.559 0.000 0.771 182 G HN 0.292 nan 8.290 nan 0.000 0.485 183 I N 3.350 123.601 120.570 -0.532 0.000 2.304 183 I HA 0.303 4.473 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 0.086 177.313 177.300 -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 1.638 121.994 120.400 -0.074 0.000 2.205 185 D HA -0.224 4.416 4.640 -0.000 0.000 0.190 185 D C 1.984 178.276 176.300 -0.015 0.000 1.002 185 D CA 2.425 56.402 54.000 -0.038 0.000 0.848 185 D CB -1.175 39.613 40.800 -0.020 0.000 0.975 185 D HN 0.471 nan 8.370 nan 0.000 0.449 186 S N 1.205 116.901 115.700 -0.006 0.000 2.406 186 S HA -0.278 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 1.579 59.791 58.200 0.020 0.000 1.133 186 S CB -1.133 62.075 63.200 0.014 0.000 1.005 186 S HN 0.306 nan 8.310 nan 0.000 0.443 187 L N 1.291 122.532 121.223 0.031 0.000 1.948 187 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 187 L C 3.044 180.045 176.870 0.219 0.000 1.074 187 L CA 2.107 57.009 54.840 0.103 0.000 0.753 187 L CB -0.827 41.196 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 1.807 58.298 56.400 0.151 0.000 0.819 188 E CB 0.112 29.797 29.700 -0.024 0.000 0.735 188 E HN 0.326 nan 8.360 nan 0.000 0.469 189 V N -0.360 119.626 119.914 0.119 0.000 2.575 189 V HA -0.058 4.062 4.120 -0.000 0.000 0.242 189 V C 1.816 177.961 176.094 0.085 0.000 1.045 189 V CA 1.598 63.950 62.300 0.086 0.000 1.065 189 V CB -0.241 31.615 31.823 0.054 0.000 0.717 189 V HN 0.163 nan 8.190 nan 0.000 0.467 190 E N 0.184 120.446 120.200 0.102 0.000 2.250 190 E HA 0.396 4.746 4.350 -0.000 0.000 0.192 190 E C 0.928 177.591 176.600 0.106 0.000 0.986 190 E CA 0.722 57.178 56.400 0.094 0.000 0.849 190 E CB 0.526 30.282 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 -1.422 173.629 174.900 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 -2.331 118.015 120.300 0.077 0.000 2.895 192 Y HA 0.888 5.438 4.550 -0.000 0.000 0.339 192 Y C -0.446 175.533 175.900 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 1.465 nan 8.280 nan 0.000 0.442 193 T N 0.343 115.126 114.554 0.380 0.000 2.907 193 T HA 0.537 4.887 4.350 -0.000 0.000 0.344 193 T C -2.271 172.619 174.700 0.316 0.000 1.675 193 T CA -0.577 61.706 62.100 0.304 0.000 1.076 193 T CB 1.177 70.097 68.868 0.088 0.000 1.483 193 T HN 0.870 nan 8.240 nan 0.000 0.487 194 V N 3.690 123.802 119.914 0.331 0.000 2.539 194 V HA 0.747 4.867 4.120 -0.000 0.000 0.292 194 V C -0.129 176.076 176.094 0.185 0.000 1.045 194 V CA -0.301 62.147 62.300 0.246 0.000 0.945 194 V CB 1.639 33.594 31.823 0.221 0.000 0.993 194 V HN 0.969 nan 8.190 nan 0.000 0.464 195 D N 1.826 122.335 120.400 0.181 0.000 2.602 195 D HA 0.569 5.209 4.640 -0.000 0.000 0.236 195 D C -1.110 175.289 176.300 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 0.462 nan 8.370 nan 0.000 0.438 196 V N 1.032 121.023 119.914 0.129 0.000 2.370 196 V HA 0.544 4.664 4.120 -0.000 0.000 0.283 196 V C 0.939 177.107 176.094 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 32.972 31.823 0.056 0.000 0.985 196 V HN 0.615 nan 8.190 nan 0.000 0.443 197 K N 3.831 124.320 120.400 0.148 0.000 2.696 197 K HA 0.135 4.455 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 0.326 56.726 56.287 0.188 0.000 1.251 197 K CB -0.041 32.662 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 1.265 176.793 175.510 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 0.293 120.697 120.400 0.007 0.000 2.402 199 K HA 0.218 4.538 4.320 -0.000 0.000 0.203 199 K C 0.024 176.604 176.600 -0.033 0.000 1.077 199 K CA -0.033 56.252 56.287 -0.003 0.000 1.051 199 K CB 0.668 33.167 32.500 -0.001 0.000 0.907 199 K HN 0.123 nan 8.250 nan 0.000 0.554 200 R N 0.844 121.300 120.500 -0.074 0.000 2.543 200 R HA 0.283 4.623 4.340 -0.000 0.000 0.268 200 R C 0.346 176.525 176.300 -0.201 0.000 1.067 200 R CA -0.168 55.830 56.100 -0.169 0.000 1.142 200 R CB 0.228 30.358 30.300 -0.284 0.000 1.110 200 R HN 0.001 nan 8.270 nan 0.000 0.549 201 T N -1.528 112.881 114.554 -0.242 0.000 2.792 201 T HA 0.615 4.965 4.350 -0.000 0.000 0.280 201 T C -0.743 173.823 174.700 -0.222 0.000 0.990 201 T CA -0.634 61.383 62.100 -0.139 0.000 0.960 201 T CB 0.388 69.240 68.868 -0.026 0.000 0.939 201 T HN 0.177 nan 8.240 nan 0.000 0.439 202 F N 2.670 122.671 119.950 0.086 0.000 2.443 202 F HA 0.575 5.102 4.527 -0.000 0.000 0.335 202 F C -0.119 175.739 175.800 0.098 0.000 1.104 202 F CA -1.750 56.300 58.000 0.083 0.000 1.013 202 F CB 1.887 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 0.162 42.259 42.059 0.064 0.000 1.221 203 L HN 0.501 nan 8.230 nan 0.000 0.431 204 S N 6.370 122.203 115.700 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 0.241 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 -0.424 177.145 177.300 0.448 0.000 1.252 205 P CA -0.630 62.665 63.100 0.325 0.000 0.802 205 P CB 0.400 32.229 31.700 0.214 0.000 1.035 206 W N 2.435 123.832 121.300 0.163 0.000 2.193 206 W HA 0.139 4.799 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 -0.054 57.406 57.345 0.192 0.000 1.243 206 W CB 0.453 29.955 29.460 0.071 0.000 1.165 206 W HN 0.146 nan 8.180 nan 0.000 0.566 207 I N 5.640 125.953 120.570 -0.428 0.000 2.719 207 I HA -0.054 4.116 4.170 -0.000 0.000 0.275 207 I C 1.095 176.709 176.117 -0.839 0.000 1.228 207 I CA -0.413 60.552 61.300 -0.558 0.000 1.035 207 I CB 0.615 38.216 38.000 -0.665 0.000 1.286 207 I HN 0.430 nan 8.210 nan 0.000 0.531 208 S N 3.042 118.317 115.700 -0.707 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 -0.316 0.000 1.054 208 S CA 1.735 59.674 58.200 -0.435 0.000 1.035 208 S CB -0.072 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 1.800 120.321 118.700 -0.299 0.000 2.030 209 N HA -0.049 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 1.776 54.693 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 -1.209 119.167 120.570 -0.325 0.000 2.439 210 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 210 I C 2.012 177.968 176.117 -0.269 0.000 1.139 210 I CA 1.287 62.412 61.300 -0.292 0.000 1.438 210 I CB -0.408 37.397 38.000 -0.324 0.000 1.085 210 I HN 0.054 nan 8.210 nan 0.000 0.427 211 H N 1.518 120.361 119.070 -0.379 0.000 2.284 211 H HA -0.091 4.465 4.556 -0.000 0.000 0.304 211 H C 2.058 177.229 175.328 -0.262 0.000 1.069 211 H CA 1.943 57.733 56.048 -0.429 0.000 1.327 211 H CB -0.542 28.624 29.762 -0.993 0.000 1.387 211 H HN 0.484 nan 8.280 nan 0.000 0.498 212 E N 1.287 121.376 120.200 -0.184 0.000 2.208 212 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 212 E C 1.764 178.404 176.600 0.067 0.000 1.014 212 E CA 1.417 57.865 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 0.302 120.706 120.400 0.007 0.000 1.973 213 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 213 K C 2.181 178.806 176.600 0.042 0.000 1.045 213 K CA 1.539 57.836 56.287 0.016 0.000 0.937 213 K CB -0.157 32.335 32.500 -0.014 0.000 0.721 213 K HN 0.017 nan 8.250 nan 0.000 0.438 214 K N -0.470 119.961 120.400 0.052 0.000 2.228 214 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 214 K C 1.258 177.905 176.600 0.080 0.000 1.045 214 K CA 1.214 57.543 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 0.233 109.092 108.800 0.099 0.000 2.184 215 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.206 215 G HA3 -0.209 3.751 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 44.943 45.100 0.096 0.000 0.651 215 G HN 0.083 nan 8.290 nan 0.000 0.511 216 L N 0.519 121.833 121.223 0.151 0.000 2.332 216 L HA 0.435 4.775 4.340 -0.000 0.000 0.219 216 L C 1.031 177.933 176.870 0.053 0.000 1.199 216 L CA 0.887 55.803 54.840 0.126 0.000 0.830 216 L CB -0.079 42.090 42.059 0.184 0.000 1.192 216 L HN 0.227 nan 8.230 nan 0.000 0.571 217 T N -0.758 113.648 114.554 -0.246 0.000 2.900 217 T HA 0.216 4.566 4.350 -0.000 0.000 0.295 217 T C -0.492 173.487 174.700 -1.202 0.000 1.044 217 T CA -0.793 60.916 62.100 -0.653 0.000 0.995 217 T CB 1.784 70.168 68.868 -0.806 0.000 1.072 217 T HN 0.334 nan 8.240 nan 0.000 0.473 218 K N 2.586 122.163 120.400 -1.372 0.000 2.171 218 K HA 0.218 4.538 4.320 -0.000 0.000 0.274 218 K C -1.064 174.953 176.600 -0.972 0.000 1.110 218 K CA -0.301 55.039 56.287 -1.579 0.000 0.952 218 K CB -0.094 31.478 32.500 -1.546 0.000 1.309 218 K HN 0.470 nan 8.250 nan 0.000 0.414 219 Y N 2.620 122.394 120.300 -0.876 0.000 2.316 219 Y HA 0.195 4.745 4.550 -0.000 0.000 0.331 219 Y C 0.268 175.515 175.900 -1.089 0.000 1.083 219 Y CA -0.270 57.238 58.100 -0.987 0.000 1.206 219 Y CB 1.070 38.838 38.460 -1.154 0.000 1.195 219 Y HN 0.319 nan 8.280 nan 0.000 0.497 220 K N 2.711 122.870 120.400 -0.402 0.000 2.637 220 K HA 0.521 4.841 4.320 -0.000 0.000 0.248 220 K C -1.015 175.597 176.600 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 1.095 116.895 115.700 0.166 0.000 2.837 221 S HA 0.464 4.934 4.470 -0.000 0.000 0.314 221 S C -0.405 174.256 174.600 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 1.774 117.518 115.700 0.072 0.000 2.508 222 S HA 0.469 4.939 4.470 -0.000 0.000 0.284 222 S C -1.849 172.775 174.600 0.039 0.000 1.192 222 S CA -1.954 56.278 58.200 0.053 0.000 1.070 222 S CB 1.074 64.303 63.200 0.048 0.000 1.004 222 S HN 0.569 nan 8.310 nan 0.000 0.493 223 P HA 0.076 nan 4.420 nan 0.000 0.231 223 P C 0.359 177.668 177.300 0.016 0.000 1.168 223 P CA 0.693 63.798 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 0.275 176.912 176.600 0.063 0.000 1.027 224 E CA 0.117 56.541 56.400 0.039 0.000 0.900 224 E CB 0.355 30.073 29.700 0.031 0.000 0.993 224 E HN 0.333 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 0.134 4.453 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 1.885 123.198 121.300 0.021 0.000 2.381 226 W HA -0.063 4.597 4.660 -0.000 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 -0.491 115.382 115.700 0.290 0.000 2.566 227 S HA 0.247 4.717 4.470 -0.000 0.000 0.324 227 S C 0.665 175.342 174.600 0.129 0.000 1.081 227 S CA -0.220 58.070 58.200 0.149 0.000 1.105 227 S CB 1.145 64.492 63.200 0.245 0.000 0.981 227 S HN 0.100 nan 8.310 nan 0.000 0.464 228 T N 4.150 118.754 114.554 0.084 0.000 2.849 228 T HA -0.091 4.259 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 1.522 63.668 62.100 0.077 0.000 1.130 228 T CB -0.226 68.684 68.868 0.070 0.000 0.864 228 T HN 0.735 nan 8.240 nan 0.000 0.481 229 A N 0.370 123.241 122.820 0.085 0.000 1.970 229 A HA 0.219 4.539 4.320 -0.000 0.000 0.216 229 A C 1.953 179.571 177.584 0.058 0.000 1.170 229 A CA 1.355 53.433 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 0.361 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 -0.005 174.641 174.600 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 0.033 0.000 1.506 230 S HN 0.977 nan 8.310 nan 0.000 0.582 231 D N 2.829 123.300 120.400 0.119 0.000 2.368 231 D HA 0.279 4.919 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 -1.103 52.975 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 63.362 63.100 -0.505 0.000 0.751 232 P CB -0.537 30.607 31.700 -0.926 0.000 1.103 233 Y N -0.042 120.382 120.300 0.205 0.000 2.326 233 Y HA 0.242 4.792 4.550 -0.000 0.000 0.331 233 Y C 1.071 176.930 175.900 -0.068 0.000 0.962 233 Y CA -1.199 56.974 58.100 0.121 0.000 1.167 233 Y CB 1.208 39.695 38.460 0.046 0.000 1.148 233 Y HN -0.148 nan 8.280 nan 0.000 0.463 234 S N 1.024 116.479 115.700 -0.409 0.000 2.558 234 S HA -0.052 4.418 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 1.500 121.724 120.400 -0.294 0.000 2.158 235 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 235 D C 1.313 177.556 176.300 -0.095 0.000 0.995 235 D CA 1.265 55.181 54.000 -0.140 0.000 0.846 235 D CB -0.341 40.404 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 4.411 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 1.300 59.153 58.000 -0.245 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 0.241 120.262 120.200 -0.299 0.000 2.169 237 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 1.016 237 E CA 1.920 58.092 56.400 -0.380 0.000 0.817 237 E CB -0.122 29.455 29.700 -0.206 0.000 0.736 237 E HN 0.471 nan 8.360 nan 0.000 0.462 238 K N 0.102 120.367 120.400 -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 1.494 57.654 56.287 -0.212 0.000 0.959 238 K CB -0.603 31.797 32.500 -0.167 0.000 0.740 238 K HN 0.097 nan 8.250 nan 0.000 0.443 239 V N -0.315 119.416 119.914 -0.304 0.000 2.363 239 V HA -0.309 3.811 4.120 -0.000 0.000 0.254 239 V C 2.243 178.248 176.094 -0.149 0.000 1.074 239 V CA 2.599 64.665 62.300 -0.389 0.000 1.069 239 V CB -1.365 30.185 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 2.409 64.432 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 0.998 109.650 108.800 -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 0.299 174.989 174.900 -0.350 0.000 0.990 241 G CA -0.049 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 0.190 175.776 176.300 -1.189 0.000 1.598 242 R CA 0.201 55.694 56.100 -1.012 0.000 1.427 242 R CB 0.173 29.886 30.300 -0.979 0.000 1.339 242 R HN 0.530 nan 8.270 nan 0.000 0.720 243 I N -0.761 119.401 120.570 -0.679 0.000 3.181 243 I HA 0.170 4.340 4.170 -0.000 0.000 0.311 243 I C -1.152 174.880 176.117 -0.142 0.000 1.287 243 I CA -1.093 60.003 61.300 -0.340 0.000 0.958 243 I CB 2.533 40.370 38.000 -0.272 0.000 1.294 243 I HN 0.145 nan 8.210 nan 0.000 0.467 244 D N 3.997 124.397 120.400 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 0.350 54.391 54.000 0.068 0.000 0.945 244 D CB 0.799 41.707 40.800 0.180 0.000 1.112 244 D HN 0.308 nan 8.370 nan 0.000 0.517 245 K N 3.208 123.614 120.400 0.009 0.000 2.366 245 K HA -0.164 4.156 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 0.621 119.343 118.700 0.037 0.000 2.457 246 N HA -0.063 4.677 4.740 -0.000 0.000 0.180 246 N C 0.234 175.747 175.510 0.005 0.000 1.050 246 N CA 0.137 53.209 53.050 0.036 0.000 0.906 246 N CB 0.166 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 2.088 121.975 119.914 -0.045 0.000 2.673 247 V HA -0.067 4.053 4.120 -0.000 0.000 0.303 247 V C 0.821 176.871 176.094 -0.073 0.000 1.046 247 V CA 0.060 62.297 62.300 -0.105 0.000 1.126 247 V CB 0.802 32.437 31.823 -0.313 0.000 0.934 247 V HN 0.156 nan 8.190 nan 0.000 0.487 248 S N 6.861 122.533 115.700 -0.048 0.000 2.559 248 S HA 0.026 4.496 4.470 -0.000 0.000 0.282 248 S C -1.374 173.209 174.600 -0.029 0.000 1.336 248 S CA -0.467 57.714 58.200 -0.032 0.000 1.037 248 S CB 0.623 63.807 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 1.699 179.012 177.300 0.020 0.000 1.180 249 P CA 0.867 63.970 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 0.458 120.669 120.200 0.017 0.000 2.267 250 E HA -0.179 4.171 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 1.784 58.192 56.400 0.014 0.000 0.830 250 E CB -1.129 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 0.917 123.742 122.820 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 -0.022 120.483 120.500 0.009 0.000 2.280 252 R HA -0.013 4.327 4.340 -0.000 0.000 0.207 252 R C 0.551 176.842 176.300 -0.015 0.000 1.043 252 R CA 0.393 56.472 56.100 -0.035 0.000 1.006 252 R CB -0.534 29.748 30.300 -0.029 0.000 0.885 252 R HN 0.625 nan 8.270 nan 0.000 0.467 253 H N -0.017 119.035 119.070 -0.030 0.000 2.562 253 H HA 0.165 4.721 4.556 -0.000 0.000 0.314 253 H C -1.933 173.378 175.328 -0.029 0.000 1.079 253 H CA -2.576 53.471 56.048 -0.001 0.000 1.349 253 H CB 1.712 31.547 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 0.961 178.399 177.300 0.231 0.000 1.151 254 P CA 1.493 64.630 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 -2.411 119.115 121.223 0.506 0.000 2.741 255 L HA 0.150 4.490 4.340 -0.000 0.000 0.237 255 L C 0.068 176.956 176.870 0.030 0.000 1.178 255 L CA -0.177 54.782 54.840 0.198 0.000 0.973 255 L CB 0.328 42.494 42.059 0.178 0.000 1.255 255 L HN -0.254 nan 8.230 nan 0.000 0.498 256 V N 1.263 121.214 119.914 0.061 0.000 2.284 256 V HA 0.408 4.528 4.120 -0.000 0.000 0.274 256 V C 0.753 176.883 176.094 0.059 0.000 1.023 256 V CA -0.865 61.425 62.300 -0.016 0.000 0.808 256 V CB 1.293 33.077 31.823 -0.065 0.000 1.035 256 V HN 0.312 nan 8.190 nan 0.000 0.445 257 A N 4.191 127.040 122.820 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 0.814 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 4.139 127.168 122.820 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 -0.364 18.800 19.000 0.275 0.000 1.140 258 A HN 1.248 nan 8.150 nan 0.000 0.487 259 Y N -0.101 120.345 120.300 0.245 0.000 2.665 259 Y HA 0.911 5.461 4.550 -0.000 0.000 0.336 259 Y C -3.211 172.566 175.900 -0.205 0.000 1.085 259 Y CA -3.298 54.841 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 -1.200 175.865 177.300 -0.390 0.000 1.271 260 P CA -0.529 62.257 63.100 -0.524 0.000 0.841 260 P CB 1.843 33.175 31.700 -0.613 0.000 1.122 261 I N 0.709 121.049 120.570 -0.384 0.000 2.586 261 I HA 0.254 4.424 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 39.750 38.000 -0.259 0.000 1.238 261 I HN 0.020 nan 8.210 nan 0.000 0.461 262 V N 7.209 126.971 119.914 -0.253 0.000 2.487 262 V HA 0.621 4.741 4.120 -0.000 0.000 0.298 262 V C -0.881 175.186 176.094 -0.045 0.000 1.028 262 V CA 0.011 62.151 62.300 -0.266 0.000 0.860 262 V CB 1.666 33.205 31.823 -0.472 0.000 0.991 262 V HN 0.842 nan 8.190 nan 0.000 0.427 263 H N 4.330 123.369 119.070 -0.051 0.000 2.824 263 H HA 0.863 5.419 4.556 -0.000 0.000 0.345 263 H C -1.349 173.979 175.328 -0.000 0.000 1.252 263 H CA -1.134 54.912 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 1.175 121.204 119.914 0.191 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 -0.725 61.573 62.300 -0.004 0.000 0.871 264 V CB 1.302 33.031 31.823 -0.156 0.000 0.988 264 V HN 0.876 nan 8.190 nan 0.000 0.432 265 D N 4.216 124.639 120.400 0.037 0.000 2.256 265 D HA 0.399 5.039 4.640 -0.000 0.000 0.240 265 D C -0.487 175.830 176.300 0.029 0.000 1.062 265 D CA -0.416 53.647 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 4.340 123.956 119.600 0.028 0.000 2.047 266 M HA 0.221 4.701 4.480 -0.000 0.000 0.342 266 M C 0.632 176.941 176.300 0.015 0.000 1.058 266 M CA -0.302 55.000 55.300 0.003 0.000 0.991 266 M CB 0.763 33.363 32.600 -0.002 0.000 1.474 266 M HN 0.367 nan 8.290 nan 0.000 0.419 267 E N 2.698 122.903 120.200 0.007 0.000 2.051 267 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 267 E C -0.304 176.300 176.600 0.007 0.000 0.991 267 E CA 1.282 57.685 56.400 0.005 0.000 0.799 267 E CB 0.117 29.812 29.700 -0.009 0.000 0.748 267 E HN 0.843 nan 8.360 nan 0.000 0.449 268 N N -0.675 118.026 118.700 0.002 0.000 2.961 268 N HA 0.349 5.089 4.740 -0.000 0.000 0.245 268 N C -1.011 174.497 175.510 -0.004 0.000 1.404 268 N CA -0.812 52.239 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 -3.059 117.507 120.570 -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 2.305 40.298 38.000 -0.011 0.000 1.240 269 I HN 0.595 nan 8.210 nan 0.000 0.464 270 I N 2.697 123.244 120.570 -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 1.965 44.022 42.059 -0.003 0.000 1.268 271 L HN 0.730 nan 8.230 nan 0.000 0.428 272 S N 0.861 116.607 115.700 0.075 0.000 2.843 272 S HA 0.564 5.034 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 57.139 58.200 0.062 0.000 0.875 272 S CB 1.686 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 0.805 121.238 120.400 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 3.056 121.786 118.700 0.050 0.000 2.412 274 N HA -0.098 4.642 4.740 -0.000 0.000 0.258 274 N C -0.394 175.132 175.510 0.028 0.000 1.236 274 N CA 0.466 53.540 53.050 0.040 0.000 0.882 274 N CB 0.701 39.215 38.487 0.045 0.000 1.066 274 N HN 0.833 nan 8.380 nan 0.000 0.465 284 S N 0.551 116.251 115.700 0.000 0.000 2.468 284 S HA 0.360 4.830 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 57.988 58.200 -0.000 0.000 1.084 284 S CB 0.431 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 0.722 120.519 119.800 -0.004 0.000 2.245 285 Q HA 0.129 4.469 4.340 -0.000 0.000 0.250 285 Q C 0.911 176.906 176.000 -0.009 0.000 0.830 285 Q CA 0.339 56.138 55.803 -0.006 0.000 0.950 285 Q CB 0.970 29.704 28.738 -0.005 0.000 1.124 285 Q HN 0.722 nan 8.270 nan 0.000 0.502 286 T N -2.708 111.841 114.554 -0.008 0.000 3.275 286 T HA 0.289 4.639 4.350 -0.000 0.000 0.298 286 T C 0.606 175.299 174.700 -0.011 0.000 0.988 286 T CA -0.530 61.563 62.100 -0.011 0.000 0.936 286 T CB 0.340 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 2.763 123.257 120.500 -0.010 0.000 3.130 287 R HA 0.336 4.676 4.340 -0.000 0.000 0.348 287 R C -0.118 176.173 176.300 -0.015 0.000 1.241 287 R CA -0.023 56.071 56.100 -0.009 0.000 1.141 287 R CB 0.065 30.364 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 0.628 4.978 4.350 -0.000 0.000 0.305 288 T C -0.021 174.626 174.700 -0.088 0.000 1.119 288 T CA -0.934 61.138 62.100 -0.046 0.000 1.008 288 T CB 1.946 70.793 68.868 -0.035 0.000 1.129 288 T HN 0.251 nan 8.240 nan 0.000 0.480 289 I N -0.235 120.251 120.570 -0.140 0.000 2.390 289 I HA 0.671 4.841 4.170 -0.000 0.000 0.283 289 I C -0.227 175.767 176.117 -0.205 0.000 1.016 289 I CA -0.725 60.437 61.300 -0.230 0.000 1.151 289 I CB 1.699 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 6.479 122.097 115.700 -0.136 0.000 2.488 290 S HA 0.429 4.899 4.470 -0.000 0.000 0.310 290 S C -0.339 174.215 174.600 -0.078 0.000 1.093 290 S CA -0.599 57.544 58.200 -0.095 0.000 1.129 290 S CB 0.051 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 4.762 4.320 -0.000 0.000 0.251 291 K C -0.223 176.386 176.600 0.014 0.000 0.944 291 K CA -0.796 55.480 56.287 -0.018 0.000 0.829 291 K CB 1.095 33.603 32.500 0.013 0.000 1.125 291 K HN 0.526 nan 8.250 nan 0.000 0.430 292 N N 0.240 118.961 118.700 0.035 0.000 2.317 292 N HA 0.270 5.010 4.740 -0.000 0.000 0.245 292 N C -0.285 175.259 175.510 0.056 0.000 1.294 292 N CA 0.074 53.146 53.050 0.036 0.000 0.924 292 N CB 0.535 39.043 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 5.011 4.350 -0.000 0.000 0.301 293 T C -1.079 173.645 174.700 0.041 0.000 1.158 293 T CA -0.946 61.183 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 0.169 nan 8.240 nan 0.000 0.499 294 S N 1.527 117.251 115.700 0.039 0.000 2.640 294 S HA 0.643 5.113 4.470 -0.000 0.000 0.320 294 S C -0.345 174.272 174.600 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 2.758 117.335 114.554 0.038 0.000 2.895 295 T HA 0.779 5.129 4.350 -0.000 0.000 0.283 295 T C -0.230 174.484 174.700 0.024 0.000 1.014 295 T CA -0.815 61.305 62.100 0.032 0.000 1.037 295 T CB 1.388 70.291 68.868 0.059 0.000 1.006 295 T HN 0.614 nan 8.240 nan 0.000 0.468 296 S N 1.189 116.867 115.700 -0.037 0.000 2.537 296 S HA 0.535 5.005 4.470 -0.000 0.000 0.270 296 S C -0.896 173.568 174.600 -0.227 0.000 1.142 296 S CA -1.193 56.950 58.200 -0.095 0.000 0.870 296 S CB 1.454 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 1.701 121.978 120.500 -0.373 0.000 2.458 297 R HA 0.302 4.642 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 0.464 56.310 56.100 -0.422 0.000 1.026 297 R CB 0.186 30.243 30.300 -0.405 0.000 0.948 297 R HN 0.866 nan 8.270 nan 0.000 0.417 298 T N 0.381 114.866 114.554 -0.115 0.000 2.934 298 T HA 0.173 4.523 4.350 -0.000 0.000 0.283 298 T C -0.118 174.619 174.700 0.061 0.000 1.005 298 T CA -0.622 61.460 62.100 -0.030 0.000 1.041 298 T CB 1.537 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 1.068 120.102 119.070 -0.061 0.000 2.716 299 H HA 0.306 4.862 4.556 -0.000 0.000 0.230 299 H C 0.278 175.625 175.328 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 29.202 29.762 -0.112 0.000 1.935 299 H HN 1.031 nan 8.280 nan 0.000 0.538 300 T N -0.965 113.569 114.554 -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 62.657 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 0.370 nan 8.240 nan 0.000 0.475 301 S N 2.375 118.102 115.700 0.045 0.000 2.690 301 S HA 0.333 4.803 4.470 -0.000 0.000 0.291 301 S C 0.348 174.974 174.600 0.043 0.000 1.138 301 S CA -0.957 57.291 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 4.407 4.350 -0.000 0.000 0.263 302 E C 0.664 177.283 176.600 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 -0.902 119.006 119.914 -0.009 0.000 3.815 303 V HA 0.012 4.131 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 31.714 31.823 -0.129 0.000 1.227 303 V HN 0.720 nan 8.190 nan 0.000 0.404 304 H N 0.304 119.358 119.070 -0.027 0.000 2.716 304 H HA 0.467 5.023 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 0.342 56.381 56.048 -0.015 0.000 1.611 304 H CB -0.063 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 -0.096 108.794 108.800 0.150 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 -0.506 174.418 174.900 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 -0.597 118.111 118.700 0.013 0.000 2.393 306 N HA 0.241 4.981 4.740 -0.000 0.000 0.256 306 N C 0.019 175.504 175.510 -0.042 0.000 1.449 306 N CA 0.030 53.076 53.050 -0.005 0.000 0.887 306 N CB 0.322 38.817 38.487 0.013 0.000 1.374 306 N HN 0.274 nan 8.380 nan 0.000 0.503 307 A N 0.824 123.596 122.820 -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 0.359 19.265 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 4.583 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 -0.250 56.133 56.400 -0.028 0.000 1.054 308 E CB -0.242 29.451 29.700 -0.012 0.000 1.074 308 E HN 0.516 nan 8.360 nan 0.000 0.433 309 V N 0.351 120.238 119.914 -0.045 0.000 2.539 309 V HA 0.209 4.329 4.120 -0.000 0.000 0.292 309 V C 0.562 176.705 176.094 0.082 0.000 1.045 309 V CA -1.171 61.118 62.300 -0.018 0.000 0.945 309 V CB 0.969 32.605 31.823 -0.312 0.000 0.993 309 V HN 0.516 nan 8.190 nan 0.000 0.464 310 H N 3.472 122.564 119.070 0.037 0.000 2.948 310 H HA 0.255 4.811 4.556 -0.000 0.000 0.351 310 H C 1.160 176.566 175.328 0.129 0.000 1.079 310 H CA -0.035 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 2.854 125.759 122.820 0.142 0.000 2.292 311 A HA -0.120 4.200 4.320 -0.000 0.000 0.209 311 A C 1.810 179.453 177.584 0.098 0.000 1.209 311 A CA 1.172 53.283 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 -0.003 0.000 2.575 312 S HA 0.107 4.577 4.470 -0.000 0.000 0.215 312 S C 1.120 175.647 174.600 -0.123 0.000 0.966 312 S CA -0.173 58.016 58.200 -0.018 0.000 0.911 312 S CB -0.364 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 1.338 121.076 119.950 -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 0.919 58.669 58.000 -0.416 0.000 1.375 313 F CB -0.071 38.650 39.000 -0.466 0.000 1.045 313 F HN 0.156 nan 8.300 nan 0.000 0.516 314 F N 0.558 120.464 119.950 -0.073 0.000 2.819 314 F HA 0.197 4.724 4.527 -0.000 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 -0.529 38.475 39.000 0.007 0.000 0.956 314 F HN -0.176 nan 8.300 nan 0.000 0.509 315 D N -0.245 120.127 120.400 -0.046 0.000 2.569 315 D HA 0.411 5.051 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 1.793 42.582 40.800 -0.018 0.000 1.183 315 D HN -0.113 nan 8.370 nan 0.000 0.613 316 I N 0.489 121.027 120.570 -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 61.302 61.300 -0.063 0.000 1.308 316 I CB 1.010 38.988 38.000 -0.036 0.000 1.400 316 I HN 0.675 nan 8.210 nan 0.000 0.488 317 G N 4.573 113.319 108.800 -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 45.368 45.100 -0.078 0.000 0.625 317 G HN 0.938 nan 8.290 nan 0.000 0.541 318 G N -1.354 107.394 108.800 -0.087 0.000 2.355 318 G HA2 0.574 4.534 3.960 -0.000 0.000 0.276 318 G HA3 0.574 4.534 3.960 -0.000 0.000 0.276 318 G C 0.984 175.807 174.900 -0.130 0.000 1.198 318 G CA 1.010 46.069 45.100 -0.068 0.000 0.876 318 G HN 1.309 nan 8.290 nan 0.000 0.478 319 S N 0.267 115.926 115.700 -0.068 0.000 2.443 319 S HA -0.253 4.217 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 1.245 59.407 58.200 -0.063 0.000 1.628 319 S CB -1.156 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 3.729 123.395 119.914 -0.412 0.000 2.106 320 V HA 0.021 4.141 4.120 -0.000 0.000 0.235 320 V C 1.555 177.492 176.094 -0.262 0.000 1.454 320 V CA 0.922 62.903 62.300 -0.531 0.000 1.458 320 V CB -0.491 31.064 31.823 -0.448 0.000 1.506 320 V HN 0.761 nan 8.190 nan 0.000 0.498 321 S N 2.235 117.844 115.700 -0.152 0.000 2.537 321 S HA 0.001 4.471 4.470 -0.000 0.000 0.240 321 S C 1.486 176.023 174.600 -0.106 0.000 0.981 321 S CA 0.358 58.517 58.200 -0.069 0.000 0.948 321 S CB -0.425 62.778 63.200 0.004 0.000 0.759 321 S HN 1.685 nan 8.310 nan 0.000 0.531 322 A N 0.492 123.216 122.820 -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 -2.128 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 -1.678 106.988 108.800 -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 0.140 174.890 174.900 -0.251 0.000 1.451 323 G CA 0.814 45.718 45.100 -0.328 0.000 0.978 323 G HN 2.257 nan 8.290 nan 0.000 0.771 324 F N 1.227 121.139 119.950 -0.064 0.000 2.556 324 F HA 0.874 5.401 4.527 -0.000 0.000 0.314 324 F C 0.037 175.809 175.800 -0.046 0.000 1.106 324 F CA -0.840 57.058 58.000 -0.170 0.000 0.911 324 F CB 1.786 40.556 39.000 -0.384 0.000 1.190 324 F HN 0.887 nan 8.300 nan 0.000 0.448 325 S N 1.146 116.944 115.700 0.162 0.000 2.697 325 S HA 0.522 4.992 4.470 -0.000 0.000 0.289 325 S C -1.184 173.500 174.600 0.141 0.000 1.149 325 S CA -1.244 57.044 58.200 0.148 0.000 0.850 325 S CB 1.386 64.626 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 0.261 326 N C -0.343 175.224 175.510 0.096 0.000 1.248 326 N CA 0.766 53.888 53.050 0.121 0.000 0.885 326 N CB 0.812 39.359 38.487 0.100 0.000 1.062 326 N HN 0.726 nan 8.380 nan 0.000 0.471 327 S N 2.149 117.914 115.700 0.108 0.000 2.758 327 S HA 0.069 4.539 4.470 -0.000 0.000 0.278 327 S C -2.089 172.573 174.600 0.104 0.000 0.905 327 S CA -0.888 57.367 58.200 0.092 0.000 0.960 327 S CB 0.179 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 1.731 120.493 118.700 0.104 0.000 2.372 328 N HA 0.616 5.355 4.740 -0.000 0.000 0.291 328 N C -1.459 174.095 175.510 0.074 0.000 1.024 328 N CA -0.392 52.720 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 0.680 116.404 115.700 0.041 0.000 2.668 329 S HA 0.480 4.950 4.470 -0.000 0.000 0.277 329 S C -1.115 173.461 174.600 -0.039 0.000 1.170 329 S CA -0.670 57.538 58.200 0.014 0.000 0.994 329 S CB 0.308 63.516 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 -0.482 174.092 174.600 -0.044 0.000 1.091 330 S CA -0.699 57.443 58.200 -0.096 0.000 1.057 330 S CB 1.599 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 2.821 117.345 114.554 -0.050 0.000 2.771 331 T HA 0.557 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 0.878 69.731 68.868 -0.025 0.000 0.930 331 T HN 0.836 nan 8.240 nan 0.000 0.447 332 V N 1.518 121.427 119.914 -0.007 0.000 2.532 332 V HA 0.971 5.091 4.120 -0.000 0.000 0.295 332 V C -0.061 176.034 176.094 0.001 0.000 1.041 332 V CA -1.181 61.120 62.300 0.003 0.000 0.926 332 V CB 1.060 32.888 31.823 0.008 0.000 0.992 332 V HN 0.957 nan 8.190 nan 0.000 0.457 333 A N 5.614 128.440 122.820 0.009 0.000 2.343 333 A HA 0.859 5.179 4.320 -0.000 0.000 0.316 333 A C -0.449 177.159 177.584 0.040 0.000 1.104 333 A CA -0.806 51.236 52.037 0.007 0.000 0.768 333 A CB 0.838 19.834 19.000 -0.006 0.000 1.213 333 A HN 0.899 nan 8.150 nan 0.000 0.456 334 I N 1.643 122.250 120.570 0.063 0.000 2.396 334 I HA 0.171 4.341 4.170 -0.000 0.000 0.292 334 I C 0.060 176.291 176.117 0.191 0.000 0.999 334 I CA -0.748 60.631 61.300 0.131 0.000 1.310 334 I CB 1.205 39.323 38.000 0.197 0.000 1.404 334 I HN 0.598 nan 8.210 nan 0.000 0.496 335 D N 5.837 126.365 120.400 0.212 0.000 2.472 335 D HA -0.099 4.541 4.640 -0.000 0.000 0.248 335 D C 1.179 177.723 176.300 0.407 0.000 1.174 335 D CA 0.265 54.435 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 1.529 120.724 119.070 0.209 0.000 2.544 336 H HA 0.113 4.669 4.556 -0.000 0.000 0.269 336 H C 0.680 176.189 175.328 0.301 0.000 0.970 336 H CA -0.333 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 4.721 4.470 -0.000 0.000 0.250 337 S C 0.654 175.283 174.600 0.048 0.000 1.355 337 S CA -0.201 57.912 58.200 -0.145 0.000 0.970 337 S CB 0.273 63.435 63.200 -0.063 0.000 0.975 337 S HN 0.269 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 0.850 177.770 176.870 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 1.375 117.100 115.700 0.040 0.000 2.641 339 S HA 0.359 4.829 4.470 -0.000 0.000 0.239 339 S C 0.881 175.481 174.600 -0.000 0.000 1.081 339 S CA -0.113 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 0.003 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 -0.109 54.732 54.840 0.001 0.000 1.836 340 L CB -0.452 41.604 42.059 -0.005 0.000 2.626 340 L HN 0.291 nan 8.230 nan 0.000 0.549 341 A N -0.018 122.811 122.820 0.014 0.000 2.961 341 A HA 0.120 4.440 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 0.875 52.925 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 0.098 175.018 174.900 0.033 0.000 1.152 342 G CA 0.308 45.426 45.100 0.031 0.000 0.921 342 G HN 0.799 nan 8.290 nan 0.000 0.544 343 E N 0.379 120.602 120.200 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 0.938 121.497 120.500 0.099 0.000 2.629 344 R HA 0.262 4.602 4.340 -0.000 0.000 0.266 344 R C -1.329 175.072 176.300 0.168 0.000 1.051 344 R CA -0.732 55.447 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 1.622 116.309 114.554 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 0.532 62.770 62.100 0.230 0.000 3.257 345 T CB -0.537 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 2.237 123.608 121.300 0.118 0.000 2.304 346 W HA -0.116 4.544 4.660 -0.000 0.000 0.315 346 W C 2.455 179.027 176.519 0.088 0.000 1.233 346 W CA 1.625 59.067 57.345 0.161 0.000 1.261 346 W CB -1.225 28.406 29.460 0.285 0.000 1.150 346 W HN 0.948 nan 8.180 nan 0.000 0.494 347 A N 0.243 123.206 122.820 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 2.279 54.307 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 0.257 nan 8.150 nan 0.000 0.451 348 E N -0.542 119.698 120.200 0.066 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 1.610 58.041 56.400 0.051 0.000 0.810 348 E CB -0.847 28.887 29.700 0.057 0.000 0.742 348 E HN 0.680 nan 8.360 nan 0.000 0.466 349 T N 0.860 115.452 114.554 0.064 0.000 2.849 349 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 349 T C 1.873 176.582 174.700 0.016 0.000 1.066 349 T CA 1.274 63.398 62.100 0.040 0.000 1.130 349 T CB -0.072 68.819 68.868 0.038 0.000 0.864 349 T HN 0.158 nan 8.240 nan 0.000 0.481 350 M N -0.390 119.221 119.600 0.019 0.000 2.615 350 M HA 0.315 4.794 4.480 -0.000 0.000 0.262 350 M C 1.317 177.619 176.300 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 -0.718 174.177 174.900 -0.009 0.000 1.135 351 G CA -0.605 44.495 45.100 -0.001 0.000 0.975 351 G HN 0.289 nan 8.290 nan 0.000 0.511 352 L N 0.694 121.911 121.223 -0.011 0.000 2.322 352 L HA 0.652 4.992 4.340 -0.000 0.000 0.281 352 L C -0.118 176.775 176.870 0.039 0.000 1.014 352 L CA -1.120 53.726 54.840 0.009 0.000 0.815 352 L CB 1.659 43.679 42.059 -0.065 0.000 1.247 352 L HN 0.232 nan 8.230 nan 0.000 0.421 353 N N 0.196 118.831 118.700 -0.108 0.000 2.357 353 N HA 0.242 4.982 4.740 -0.000 0.000 0.284 353 N C 0.485 175.653 175.510 -0.569 0.000 1.236 353 N CA -0.594 52.238 53.050 -0.362 0.000 0.774 353 N CB 1.948 40.316 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 0.382 123.096 122.820 -0.176 0.000 2.423 355 A HA 0.247 4.567 4.320 -0.000 0.000 0.246 355 A C 0.422 177.977 177.584 -0.048 0.000 1.278 355 A CA -0.277 51.709 52.037 -0.085 0.000 0.903 355 A CB 0.344 19.301 19.000 -0.071 0.000 0.997 355 A HN 0.286 nan 8.150 nan 0.000 0.510 356 D N -0.092 120.281 120.400 -0.045 0.000 2.449 356 D HA 0.531 5.171 4.640 -0.000 0.000 0.250 356 D C -0.396 175.934 176.300 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 0.200 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 -0.703 174.062 174.700 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 1.715 122.287 120.500 0.120 0.000 2.540 359 R HA 0.759 5.099 4.340 -0.000 0.000 0.287 359 R C -1.213 175.127 176.300 0.068 0.000 0.980 359 R CA -0.661 55.488 56.100 0.081 0.000 0.966 359 R CB 1.010 31.343 30.300 0.056 0.000 1.106 359 R HN 0.485 nan 8.270 nan 0.000 0.480 360 L N 1.636 122.887 121.223 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 44.000 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 0.816 5.556 4.740 -0.000 0.000 0.268 361 N C -2.087 173.419 175.510 -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 4.861 4.320 -0.000 0.000 0.290 362 A C -1.814 175.761 177.584 -0.016 0.000 1.086 362 A CA -0.760 51.269 52.037 -0.013 0.000 0.665 362 A CB 1.086 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 -0.961 174.533 175.510 -0.026 0.000 1.003 363 N CA -0.087 52.953 53.050 -0.017 0.000 0.892 363 N CB 1.609 40.090 38.487 -0.010 0.000 1.193 363 N HN 0.732 nan 8.380 nan 0.000 0.487 364 I N -1.358 119.186 120.570 -0.044 0.000 3.174 364 I HA 0.693 4.863 4.170 -0.000 0.000 0.313 364 I C -0.708 175.363 176.117 -0.076 0.000 1.155 364 I CA -1.198 60.056 61.300 -0.077 0.000 0.977 364 I CB 1.707 39.616 38.000 -0.152 0.000 1.248 364 I HN 0.412 nan 8.210 nan 0.000 0.453 365 R N 1.164 121.609 120.500 -0.091 0.000 2.535 365 R HA 0.511 4.851 4.340 -0.000 0.000 0.274 365 R C -1.951 174.308 176.300 -0.069 0.000 1.090 365 R CA -0.786 55.318 56.100 0.005 0.000 0.930 365 R CB 0.629 31.019 30.300 0.151 0.000 1.223 365 R HN 0.574 nan 8.270 nan 0.000 0.441 366 Y N 1.016 121.358 120.300 0.070 0.000 2.397 366 Y HA 0.314 4.864 4.550 -0.000 0.000 0.335 366 Y C 0.571 176.405 175.900 -0.110 0.000 1.213 366 Y CA 0.018 58.088 58.100 -0.050 0.000 1.391 366 Y CB 1.307 39.715 38.460 -0.088 0.000 1.293 366 Y HN 0.387 nan 8.280 nan 0.000 0.557 367 V N 3.831 123.625 119.914 -0.199 0.000 2.668 367 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 367 V C -1.361 174.441 176.094 -0.486 0.000 1.071 367 V CA -0.836 61.175 62.300 -0.482 0.000 0.894 367 V CB 1.713 33.016 31.823 -0.868 0.000 1.008 367 V HN 0.837 nan 8.190 nan 0.000 0.425 368 N N 3.677 122.149 118.700 -0.380 0.000 2.462 368 N HA 0.273 5.013 4.740 -0.000 0.000 0.242 368 N C 0.881 176.219 175.510 -0.288 0.000 1.010 368 N CA 0.605 53.459 53.050 -0.326 0.000 0.939 368 N CB 1.758 40.077 38.487 -0.279 0.000 1.127 368 N HN 0.802 nan 8.380 nan 0.000 0.509 369 T N 0.831 115.239 114.554 -0.243 0.000 3.067 369 T HA 0.187 4.537 4.350 -0.000 0.000 0.257 369 T C 1.151 175.746 174.700 -0.175 0.000 1.105 369 T CA 0.515 62.517 62.100 -0.162 0.000 1.104 369 T CB -0.446 68.386 68.868 -0.060 0.000 0.925 369 T HN 0.415 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 0.213 4.173 3.960 -0.000 0.000 0.330 370 G HA3 0.213 4.173 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 1.186 46.079 45.100 -0.345 0.000 1.094 370 G HN 0.582 nan 8.290 nan 0.000 0.581 371 T N -4.127 110.296 114.554 -0.218 0.000 3.087 371 T HA 0.625 4.975 4.350 -0.000 0.000 0.283 371 T C 0.233 174.927 174.700 -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 69.135 68.868 0.000 0.000 1.160 371 T HN 1.293 nan 8.240 nan 0.000 0.532 372 A N 2.547 125.353 122.820 -0.023 0.000 2.449 372 A HA 0.857 5.177 4.320 -0.000 0.000 0.302 372 A C -3.137 174.468 177.584 0.034 0.000 1.048 372 A CA -2.042 50.070 52.037 0.125 0.000 0.708 372 A CB 1.719 20.962 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 -0.050 63.119 63.100 0.115 0.000 0.794 373 P CB 0.987 32.778 31.700 0.152 0.000 0.955 374 I N 2.583 123.180 120.570 0.046 0.000 2.392 374 I HA 0.190 4.360 4.170 -0.000 0.000 0.295 374 I C 0.805 177.021 176.117 0.164 0.000 0.985 374 I CA -0.591 60.784 61.300 0.126 0.000 1.221 374 I CB 1.196 39.127 38.000 -0.116 0.000 1.366 374 I HN 0.346 nan 8.210 nan 0.000 0.467 375 Y N 4.036 124.422 120.300 0.144 0.000 2.458 375 Y HA 0.035 4.585 4.550 -0.000 0.000 0.254 375 Y C 1.289 177.237 175.900 0.079 0.000 1.120 375 Y CA -0.010 58.155 58.100 0.108 0.000 1.282 375 Y CB 0.201 38.734 38.460 0.123 0.000 1.109 375 Y HN 0.712 nan 8.280 nan 0.000 0.526 376 N N -2.423 116.389 118.700 0.187 0.000 2.842 376 N HA -0.007 4.733 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 -0.021 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 0.128 176.196 176.094 -0.043 0.000 1.142 377 V CA 0.303 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 6.983 128.128 121.223 -0.130 0.000 2.333 378 L HA 0.618 4.958 4.340 -0.000 0.000 0.269 378 L C -2.325 174.429 176.870 -0.193 0.000 1.010 378 L CA -1.945 52.719 54.840 -0.294 0.000 0.818 378 L CB 1.895 43.597 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 -0.743 176.579 177.300 0.037 0.000 1.183 379 P CA 0.071 63.172 63.100 0.002 0.000 0.763 379 P CB 0.210 31.940 31.700 0.050 0.000 0.807 380 T N 1.753 116.348 114.554 0.069 0.000 4.098 380 T HA 0.103 4.453 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 -0.934 67.965 68.868 0.052 0.000 1.313 380 T HN 0.331 nan 8.240 nan 0.000 0.951 381 T N 2.636 117.270 114.554 0.134 0.000 2.870 381 T HA 0.314 4.664 4.350 -0.000 0.000 0.300 381 T C 0.435 175.179 174.700 0.074 0.000 0.989 381 T CA -0.641 61.530 62.100 0.117 0.000 1.139 381 T CB 0.187 69.145 68.868 0.150 0.000 0.920 381 T HN 0.491 nan 8.240 nan 0.000 0.537 382 S N 5.289 121.022 115.700 0.055 0.000 2.501 382 S HA 0.557 5.027 4.470 -0.000 0.000 0.301 382 S C -0.406 174.210 174.600 0.026 0.000 1.096 382 S CA -1.080 57.142 58.200 0.037 0.000 1.063 382 S CB 1.248 64.468 63.200 0.033 0.000 1.042 382 S HN 0.802 nan 8.310 nan 0.000 0.494 383 L N 3.892 125.125 121.223 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 54.250 54.840 0.008 0.000 0.816 383 L CB 0.662 42.722 42.059 0.002 0.000 1.197 383 L HN 0.634 nan 8.230 nan 0.000 0.427 384 V N 5.198 125.115 119.914 0.005 0.000 2.834 384 V HA 0.459 4.579 4.120 -0.000 0.000 0.313 384 V C -0.398 175.692 176.094 -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 0.877 5.217 4.340 -0.000 0.000 0.272 385 L C 0.319 177.178 176.870 -0.019 0.000 0.980 385 L CA 1.247 56.076 54.840 -0.017 0.000 0.831 385 L CB 0.771 42.819 42.059 -0.019 0.000 1.253 385 L HN 0.999 nan 8.230 nan 0.000 0.406 386 G N 4.698 113.483 108.800 -0.026 0.000 2.779 386 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.284 386 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.284 386 G C 0.679 175.566 174.900 -0.022 0.000 1.326 386 G CA 0.453 45.537 45.100 -0.027 0.000 0.983 386 G HN 0.653 nan 8.290 nan 0.000 0.555 387 K N 0.871 121.260 120.400 -0.019 0.000 2.436 387 K HA 0.210 4.530 4.320 -0.000 0.000 0.198 387 K C 1.297 177.890 176.600 -0.011 0.000 1.174 387 K CA 0.981 57.258 56.287 -0.017 0.000 0.951 387 K CB 0.549 33.037 32.500 -0.020 0.000 1.040 387 K HN 0.608 nan 8.250 nan 0.000 0.536 388 N N -1.058 117.636 118.700 -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 -0.349 175.653 176.000 0.005 0.000 1.273 389 Q CA 0.156 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 -0.255 114.303 114.554 0.008 0.000 2.771 390 T HA 0.122 4.472 4.350 -0.000 0.000 0.277 390 T C 1.160 175.867 174.700 0.013 0.000 0.919 390 T CA -0.246 61.860 62.100 0.010 0.000 1.163 390 T CB 0.198 69.073 68.868 0.012 0.000 0.876 390 T HN 0.476 nan 8.240 nan 0.000 0.545 391 L N 1.854 123.083 121.223 0.011 0.000 2.156 391 L HA 0.317 4.657 4.340 -0.000 0.000 0.208 391 L C 1.430 178.309 176.870 0.016 0.000 1.095 391 L CA 0.762 55.610 54.840 0.013 0.000 0.770 391 L CB -0.544 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 -0.778 122.051 122.820 0.015 0.000 2.571 392 A HA 0.473 4.793 4.320 -0.000 0.000 0.296 392 A C -0.583 177.012 177.584 0.018 0.000 1.005 392 A CA -0.380 51.667 52.037 0.017 0.000 0.682 392 A CB 0.549 19.558 19.000 0.016 0.000 1.292 392 A HN 0.017 nan 8.150 nan 0.000 0.420 393 T N 0.239 114.806 114.554 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 -0.068 68.818 68.868 0.029 0.000 0.950 393 T HN 0.977 nan 8.240 nan 0.000 0.450 394 I N 2.096 122.690 120.570 0.040 0.000 2.337 394 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 394 I C 0.596 176.759 176.117 0.075 0.000 1.046 394 I CA -0.597 60.733 61.300 0.050 0.000 1.324 394 I CB 0.839 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 5.552 125.986 120.400 0.056 0.000 3.202 395 K HA 0.441 4.761 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 2.672 125.515 122.820 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 0.715 52.756 52.037 0.007 0.000 0.847 396 A CB -0.297 18.709 19.000 0.009 0.000 0.885 396 A HN 0.580 nan 8.150 nan 0.000 0.508 397 K N 1.816 122.210 120.400 -0.011 0.000 2.620 397 K HA -0.074 4.246 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 57.068 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 1.445 121.640 120.200 -0.010 0.000 2.349 398 E HA 0.095 4.445 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 -0.151 56.245 56.400 -0.005 0.000 0.899 398 E CB 0.503 30.207 29.700 0.007 0.000 1.044 398 E HN 0.534 nan 8.360 nan 0.000 0.420 399 N N 0.780 119.491 118.700 0.017 0.000 2.889 399 N HA -0.353 4.387 4.740 -0.000 0.000 0.234 399 N C 1.222 176.752 175.510 0.032 0.000 0.915 399 N CA 1.716 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 -0.098 4.242 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 1.268 57.089 55.803 0.030 0.000 0.869 400 Q CB -0.206 28.544 28.738 0.021 0.000 0.912 400 Q HN 0.606 nan 8.270 nan 0.000 0.436 401 L N -2.320 118.937 121.223 0.057 0.000 2.322 401 L HA 0.590 4.930 4.340 -0.000 0.000 0.279 401 L C 0.077 176.999 176.870 0.086 0.000 1.036 401 L CA -0.301 54.602 54.840 0.106 0.000 0.807 401 L CB 2.400 44.561 42.059 0.170 0.000 1.226 401 L HN -0.073 nan 8.230 nan 0.000 0.433 402 S N -0.230 115.516 115.700 0.076 0.000 2.687 402 S HA 0.227 4.697 4.470 -0.000 0.000 0.247 402 S C 0.239 174.849 174.600 0.016 0.000 1.050 402 S CA -0.212 58.021 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 1.185 120.989 119.800 0.007 0.000 2.373 403 Q HA 0.396 4.735 4.340 -0.000 0.000 0.255 403 Q C -0.609 175.324 176.000 -0.112 0.000 0.980 403 Q CA 0.319 56.074 55.803 -0.081 0.000 0.882 403 Q CB 0.320 28.958 28.738 -0.166 0.000 1.249 403 Q HN 0.196 nan 8.270 nan 0.000 0.438 404 I N 1.632 122.078 120.570 -0.206 0.000 2.440 404 I HA 0.122 4.291 4.170 -0.000 0.000 0.294 404 I C -0.481 175.512 176.117 -0.206 0.000 0.995 404 I CA -0.512 60.608 61.300 -0.299 0.000 1.306 404 I CB 0.941 38.651 38.000 -0.485 0.000 1.407 404 I HN 0.454 nan 8.210 nan 0.000 0.501 405 L N 6.952 128.076 121.223 -0.166 0.000 2.475 405 L HA 0.627 4.967 4.340 -0.000 0.000 0.253 405 L C 0.401 177.183 176.870 -0.146 0.000 1.137 405 L CA -0.321 54.448 54.840 -0.118 0.000 1.058 405 L CB -0.742 41.268 42.059 -0.081 0.000 1.382 405 L HN 0.700 nan 8.230 nan 0.000 0.416 406 A N 4.897 127.635 122.820 -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 -0.969 51.004 52.037 -0.106 0.000 0.790 406 A CB -0.538 18.410 19.000 -0.085 0.000 1.042 406 A HN 0.579 nan 8.150 nan 0.000 0.497 407 P HA 0.016 nan 4.420 nan 0.000 0.266 407 P C -0.535 176.707 177.300 -0.098 0.000 1.195 407 P CA 0.336 63.370 63.100 -0.109 0.000 0.768 407 P CB 0.140 31.794 31.700 -0.077 0.000 0.838 408 N N 1.292 119.918 118.700 -0.124 0.000 2.586 408 N HA -0.238 4.502 4.740 -0.000 0.000 0.282 408 N C -0.568 174.894 175.510 -0.081 0.000 1.171 408 N CA 1.107 54.095 53.050 -0.104 0.000 0.733 408 N CB -1.342 37.121 38.487 -0.039 0.000 0.910 408 N HN 0.568 nan 8.380 nan 0.000 0.548 409 N N 0.395 119.006 118.700 -0.148 0.000 3.134 409 N HA 0.225 4.965 4.740 -0.000 0.000 0.235 409 N C -1.630 173.806 175.510 -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 2.282 122.542 120.300 -0.067 0.000 2.307 410 Y HA 0.195 4.745 4.550 -0.000 0.000 0.324 410 Y C 1.395 177.276 175.900 -0.030 0.000 1.238 410 Y CA -0.233 57.842 58.100 -0.043 0.000 1.280 410 Y CB 0.364 38.802 38.460 -0.036 0.000 1.248 410 Y HN 0.629 nan 8.280 nan 0.000 0.508 411 Y N 4.127 124.484 120.300 0.094 0.000 1.978 411 Y HA -0.114 4.436 4.550 -0.000 0.000 0.247 411 Y C -1.353 174.588 175.900 0.068 0.000 1.102 411 Y CA 0.794 58.941 58.100 0.077 0.000 1.069 411 Y CB -1.393 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 4.412 120.018 115.700 -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 2.562 122.920 120.400 -0.071 0.000 2.318 414 K HA -0.223 4.097 4.320 -0.000 0.000 0.204 414 K C 1.005 177.544 176.600 -0.101 0.000 1.044 414 K CA 1.792 57.991 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 0.911 nan 8.250 nan 0.000 0.473 415 N N -0.022 118.634 118.700 -0.073 0.000 2.455 415 N HA 0.151 4.891 4.740 -0.000 0.000 0.258 415 N C -0.111 175.370 175.510 -0.049 0.000 1.158 415 N CA -0.128 52.887 53.050 -0.058 0.000 0.893 415 N CB 0.099 38.556 38.487 -0.049 0.000 1.173 415 N HN -0.027 nan 8.380 nan 0.000 0.503 416 L N -1.564 119.630 121.223 -0.048 0.000 2.389 416 L HA 0.718 5.058 4.340 -0.000 0.000 0.249 416 L C -0.628 176.230 176.870 -0.019 0.000 1.083 416 L CA -1.876 52.943 54.840 -0.035 0.000 0.876 416 L CB 1.561 43.593 42.059 -0.045 0.000 1.489 416 L HN 0.071 nan 8.230 nan 0.000 0.412 417 A N 1.475 124.293 122.820 -0.004 0.000 2.438 417 A HA 0.505 4.825 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 -0.925 18.083 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 -0.247 177.085 177.300 0.053 0.000 1.211 418 P CA 0.104 63.229 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 0.866 121.474 120.570 0.063 0.000 2.474 419 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 419 I C 0.634 176.756 176.117 0.009 0.000 1.048 419 I CA -0.434 60.894 61.300 0.048 0.000 1.383 419 I CB 0.899 38.927 38.000 0.046 0.000 1.412 419 I HN 0.317 nan 8.210 nan 0.000 0.531 420 A N 7.449 130.276 122.820 0.012 0.000 2.312 420 A HA 0.731 5.051 4.320 -0.000 0.000 0.328 420 A C -0.496 177.088 177.584 -0.001 0.000 1.158 420 A CA -0.617 51.421 52.037 0.002 0.000 0.821 420 A CB 0.749 19.753 19.000 0.006 0.000 1.170 420 A HN 0.674 nan 8.150 nan 0.000 0.490 421 L N 1.835 123.054 121.223 -0.007 0.000 2.326 421 L HA 0.241 4.581 4.340 -0.000 0.000 0.278 421 L C 0.257 177.129 176.870 0.004 0.000 1.092 421 L CA -0.739 54.098 54.840 -0.004 0.000 0.810 421 L CB 0.430 42.483 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 4.504 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 1.022 54.080 53.050 0.012 0.000 0.795 422 N CB -0.246 38.250 38.487 0.014 0.000 0.909 422 N HN 0.810 nan 8.380 nan 0.000 0.546 423 A N -0.222 122.605 122.820 0.011 0.000 2.585 423 A HA 0.254 4.574 4.320 -0.000 0.000 0.266 423 A C 0.531 178.122 177.584 0.012 0.000 1.178 423 A CA 0.767 52.809 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 -2.115 117.693 119.800 0.013 0.000 2.953 424 Q HA 0.296 4.636 4.340 -0.000 0.000 0.293 424 Q C -1.545 174.465 176.000 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 0.423 116.132 115.700 0.014 0.000 2.593 429 S HA 0.245 4.715 4.470 -0.000 0.000 0.235 429 S C 0.673 175.282 174.600 0.015 0.000 1.059 429 S CA 0.463 58.671 58.200 0.014 0.000 0.953 429 S CB 0.008 63.215 63.200 0.013 0.000 0.897 429 S HN 1.436 nan 8.310 nan 0.000 0.507 430 T N 1.941 116.504 114.554 0.016 0.000 2.929 430 T HA 0.649 4.999 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 0.753 69.632 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 0.293 431 P C -0.240 177.075 177.300 0.025 0.000 1.285 431 P CA -0.631 62.482 63.100 0.022 0.000 0.775 431 P CB 0.447 32.161 31.700 0.024 0.000 1.351 432 I N -0.531 120.056 120.570 0.028 0.000 2.321 432 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 432 I C -0.056 176.087 176.117 0.043 0.000 0.998 432 I CA -0.261 61.058 61.300 0.032 0.000 1.227 432 I CB 1.258 39.275 38.000 0.028 0.000 1.368 432 I HN 0.091 nan 8.210 nan 0.000 0.466 433 T N 7.647 122.228 114.554 0.045 0.000 2.824 433 T HA 0.539 4.889 4.350 -0.000 0.000 0.280 433 T C -0.322 174.419 174.700 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 4.686 124.345 119.600 0.099 0.000 2.134 434 M HA 0.266 4.746 4.480 -0.000 0.000 0.249 434 M C -0.691 175.711 176.300 0.169 0.000 0.955 434 M CA -0.831 54.542 55.300 0.121 0.000 1.037 434 M CB 0.775 33.450 32.600 0.125 0.000 2.110 434 M HN 0.758 nan 8.290 nan 0.000 0.449 435 N N 2.299 121.085 118.700 0.144 0.000 2.260 435 N HA -0.017 4.723 4.740 -0.000 0.000 0.230 435 N C 0.518 176.171 175.510 0.237 0.000 1.323 435 N CA 0.007 53.159 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 0.215 120.563 120.300 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 -0.994 37.476 38.460 0.017 0.000 0.958 436 Y HN 0.695 nan 8.280 nan 0.000 0.484 437 N N -0.497 118.323 118.700 0.201 0.000 2.089 437 N HA -0.348 4.391 4.740 -0.000 0.000 0.198 437 N C 1.762 177.308 175.510 0.061 0.000 1.017 437 N CA 1.831 54.939 53.050 0.096 0.000 0.880 437 N CB -0.377 38.169 38.487 0.099 0.000 1.042 437 N HN 0.583 nan 8.380 nan 0.000 0.446 438 Q N 0.035 119.889 119.800 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 1.686 121.616 119.950 -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 1.405 59.380 58.000 -0.041 0.000 1.212 439 F CB -0.411 38.563 39.000 -0.044 0.000 0.975 439 F HN -0.017 nan 8.300 nan 0.000 0.476 440 L N 0.035 121.376 121.223 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 -0.026 0.000 1.074 440 L CA 2.047 56.912 54.840 0.042 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 1.459 57.819 56.400 -0.067 0.000 0.805 441 E CB -0.271 29.402 29.700 -0.045 0.000 0.744 441 E HN 0.270 nan 8.360 nan 0.000 0.451 442 L N 1.723 122.860 121.223 -0.145 0.000 2.012 442 L HA -0.225 4.115 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 2.018 56.734 54.840 -0.208 0.000 0.748 442 L CB -0.488 41.389 42.059 -0.303 0.000 0.891 442 L HN 0.088 nan 8.230 nan 0.000 0.431 443 E N -0.789 119.220 120.200 -0.318 0.000 2.265 443 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 443 E C 2.161 178.523 176.600 -0.397 0.000 0.996 443 E CA 1.014 57.120 56.400 -0.489 0.000 0.832 443 E CB -0.019 29.539 29.700 -0.237 0.000 0.756 443 E HN 0.562 nan 8.360 nan 0.000 0.491 444 K N -0.313 119.941 120.400 -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 1.689 57.857 56.287 -0.199 0.000 0.949 444 K CB 0.155 32.575 32.500 -0.133 0.000 0.726 444 K HN 0.172 nan 8.250 nan 0.000 0.443 445 T N -2.574 111.875 114.554 -0.174 0.000 2.971 445 T HA 0.203 4.553 4.350 -0.000 0.000 0.252 445 T C 0.024 174.636 174.700 -0.146 0.000 1.022 445 T CA -0.374 61.640 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 2.216 122.510 120.400 -0.178 0.000 3.278 446 K HA -0.210 4.110 4.320 -0.000 0.000 0.270 446 K C -0.310 176.258 176.600 -0.054 0.000 0.955 446 K CA 0.756 56.964 56.287 -0.132 0.000 0.723 446 K CB -1.587 30.828 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 0.686 5.026 4.340 -0.000 0.000 0.276 447 Q C -1.388 174.592 176.000 -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 0.472 121.683 121.223 -0.020 0.000 2.250 448 L HA 0.767 5.107 4.340 -0.000 0.000 0.252 448 L C -0.603 176.259 176.870 -0.014 0.000 1.054 448 L CA -1.162 53.667 54.840 -0.019 0.000 0.856 448 L CB 2.396 44.447 42.059 -0.014 0.000 1.443 448 L HN 0.747 nan 8.230 nan 0.000 0.427 449 R N 0.402 120.895 120.500 -0.011 0.000 2.750 449 R HA 0.701 5.041 4.340 -0.000 0.000 0.281 449 R C -1.813 174.487 176.300 0.001 0.000 0.972 449 R CA -0.636 55.460 56.100 -0.007 0.000 0.912 449 R CB 1.791 32.087 30.300 -0.007 0.000 1.187 449 R HN 0.569 nan 8.270 nan 0.000 0.464 450 L N 3.717 124.944 121.223 0.006 0.000 2.384 450 L HA 0.338 4.678 4.340 -0.000 0.000 0.261 450 L C -1.223 175.668 176.870 0.034 0.000 1.024 450 L CA -0.727 54.124 54.840 0.018 0.000 0.899 450 L CB 1.635 43.706 42.059 0.020 0.000 1.243 450 L HN 0.574 nan 8.230 nan 0.000 0.449 451 D N 1.651 122.072 120.400 0.035 0.000 2.336 451 D HA 0.268 4.908 4.640 -0.000 0.000 0.249 451 D C -0.040 176.300 176.300 0.066 0.000 1.213 451 D CA 0.421 54.449 54.000 0.046 0.000 0.870 451 D CB 1.269 42.090 40.800 0.035 0.000 1.076 451 D HN 0.253 nan 8.370 nan 0.000 0.483 452 T N 1.803 116.410 114.554 0.089 0.000 2.855 452 T HA 0.375 4.725 4.350 -0.000 0.000 0.281 452 T C 0.046 174.819 174.700 0.122 0.000 1.007 452 T CA -1.040 61.130 62.100 0.118 0.000 1.009 452 T CB 1.305 70.264 68.868 0.152 0.000 0.983 452 T HN 0.332 nan 8.240 nan 0.000 0.455 453 D N 1.364 121.838 120.400 0.123 0.000 2.478 453 D HA 0.134 4.774 4.640 -0.000 0.000 0.274 453 D C 0.393 176.794 176.300 0.169 0.000 1.234 453 D CA -0.616 53.450 54.000 0.110 0.000 1.069 453 D CB 0.623 41.471 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 -0.102 175.714 176.000 -0.305 0.000 0.819 454 Q CA -0.259 55.455 55.803 -0.147 0.000 1.032 454 Q CB 1.277 29.830 28.738 -0.308 0.000 1.151 454 Q HN 0.298 nan 8.270 nan 0.000 0.487 455 V N 2.205 122.140 119.914 0.035 0.000 2.180 455 V HA 0.057 4.177 4.120 -0.000 0.000 0.238 455 V C -0.500 175.750 176.094 0.259 0.000 1.337 455 V CA 0.207 62.551 62.300 0.074 0.000 1.338 455 V CB -1.077 30.789 31.823 0.071 0.000 1.431 455 V HN 0.198 nan 8.190 nan 0.000 0.498 456 Y N 3.548 123.878 120.300 0.050 0.000 2.344 456 Y HA 0.550 5.100 4.550 -0.000 0.000 0.330 456 Y C 1.493 177.486 175.900 0.155 0.000 1.330 456 Y CA -0.894 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 0.186 109.212 108.800 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 -0.632 174.491 174.900 0.371 0.000 1.390 457 G CA -0.806 44.480 45.100 0.311 0.000 1.050 457 G HN 0.726 nan 8.290 nan 0.000 0.519 458 N N -1.591 117.237 118.700 0.214 0.000 2.294 458 N HA 0.367 5.107 4.740 -0.000 0.000 0.248 458 N C -0.200 175.349 175.510 0.065 0.000 1.300 458 N CA -0.228 52.870 53.050 0.080 0.000 0.925 458 N CB 0.737 39.234 38.487 0.016 0.000 1.188 458 N HN 0.260 nan 8.380 nan 0.000 0.512 459 I N -0.098 120.378 120.570 -0.157 0.000 2.693 459 I HA 0.421 4.591 4.170 -0.000 0.000 0.303 459 I C -0.413 175.550 176.117 -0.256 0.000 1.025 459 I CA -1.113 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 3.172 125.831 122.820 -0.268 0.000 2.279 460 A HA 0.531 4.850 4.320 -0.000 0.000 0.306 460 A C -0.134 177.383 177.584 -0.111 0.000 1.300 460 A CA -0.198 51.632 52.037 -0.345 0.000 0.925 460 A CB 0.401 19.002 19.000 -0.666 0.000 1.152 460 A HN 0.684 nan 8.150 nan 0.000 0.544 461 T N 1.636 116.116 114.554 -0.125 0.000 2.895 461 T HA 0.496 4.846 4.350 -0.000 0.000 0.283 461 T C -0.497 174.199 174.700 -0.006 0.000 1.014 461 T CA -0.277 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 3.563 123.789 120.300 -0.123 0.000 2.299 462 Y HA 0.440 4.990 4.550 -0.000 0.000 0.335 462 Y C 0.337 176.029 175.900 -0.345 0.000 1.287 462 Y CA -0.450 57.518 58.100 -0.220 0.000 1.424 462 Y CB 0.708 39.005 38.460 -0.272 0.000 1.326 462 Y HN 0.694 nan 8.280 nan 0.000 0.567 463 N N 3.619 121.700 118.700 -1.031 0.000 2.690 463 N HA 0.171 4.911 4.740 -0.000 0.000 0.255 463 N C -0.380 174.646 175.510 -0.806 0.000 1.195 463 N CA -0.419 52.180 53.050 -0.753 0.000 0.790 463 N CB -0.213 38.036 38.487 -0.396 0.000 1.216 463 N HN 0.520 nan 8.380 nan 0.000 0.528 464 F N 0.541 120.270 119.950 -0.367 0.000 2.158 464 F HA -0.335 4.192 4.527 -0.000 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 -0.293 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 0.674 120.893 120.200 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 -1.079 117.563 118.700 -0.096 0.000 2.325 466 N HA 0.086 4.826 4.740 -0.000 0.000 0.182 466 N C 0.991 176.434 175.510 -0.113 0.000 1.088 466 N CA 0.983 53.985 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 -0.097 108.545 108.800 -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 0.099 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 -0.379 119.964 120.500 -0.262 0.000 2.668 468 R HA 0.640 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 -0.632 55.397 56.100 -0.118 0.000 0.978 468 R CB 1.476 31.725 30.300 -0.085 0.000 1.133 468 R HN 0.083 nan 8.270 nan 0.000 0.484 469 V N 4.552 124.460 119.914 -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 61.892 62.300 0.006 0.000 0.889 469 V CB 1.168 33.038 31.823 0.079 0.000 0.985 469 V HN 0.738 nan 8.190 nan 0.000 0.459 470 R N 3.093 123.539 120.500 -0.091 0.000 2.930 470 R HA 0.811 5.151 4.340 -0.000 0.000 0.257 470 R C -1.633 174.569 176.300 -0.164 0.000 1.107 470 R CA -0.675 55.362 56.100 -0.105 0.000 0.999 470 R CB 2.331 32.576 30.300 -0.091 0.000 1.209 470 R HN 0.465 nan 8.270 nan 0.000 0.486 471 V N 1.915 121.736 119.914 -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 3.510 123.824 120.400 -0.143 0.000 2.352 472 D HA 0.139 4.779 4.640 -0.000 0.000 0.245 472 D C 1.593 177.832 176.300 -0.101 0.000 1.224 472 D CA 0.155 54.081 54.000 -0.123 0.000 0.879 472 D CB 1.224 41.934 40.800 -0.151 0.000 1.057 472 D HN 0.755 nan 8.370 nan 0.000 0.491 473 T N 0.232 114.744 114.554 -0.071 0.000 3.118 473 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 473 T C 1.590 176.256 174.700 -0.057 0.000 1.166 473 T CA 0.658 62.728 62.100 -0.049 0.000 1.073 473 T CB -0.008 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 0.525 109.276 108.800 -0.080 0.000 2.559 474 G HA2 0.208 4.168 3.960 -0.000 0.000 0.209 474 G HA3 0.208 4.168 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 44.689 45.100 -0.086 0.000 0.824 474 G HN 0.509 nan 8.290 nan 0.000 0.543 475 S N 1.774 117.385 115.700 -0.147 0.000 2.409 475 S HA 0.324 4.794 4.470 -0.000 0.000 0.308 475 S C -0.467 174.003 174.600 -0.216 0.000 1.080 475 S CA -0.671 57.410 58.200 -0.198 0.000 1.081 475 S CB 0.512 63.553 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 0.602 176.074 175.510 -0.064 0.000 1.048 476 N CA -0.660 52.338 53.050 -0.086 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 2.341 123.647 121.300 0.011 0.000 2.277 477 W HA -0.253 4.407 4.660 -0.000 0.000 0.327 477 W C 2.383 178.868 176.519 -0.056 0.000 1.284 477 W CA 1.557 58.902 57.345 -0.000 0.000 1.277 477 W CB -0.722 28.765 29.460 0.045 0.000 1.141 477 W HN 0.544 nan 8.180 nan 0.000 0.482 478 S N -0.200 115.598 115.700 0.162 0.000 2.428 478 S HA -0.277 4.193 4.470 -0.000 0.000 0.240 478 S C 1.379 175.995 174.600 0.028 0.000 1.036 478 S CA 1.939 60.167 58.200 0.047 0.000 1.009 478 S CB -0.396 62.821 63.200 0.028 0.000 0.803 478 S HN 0.483 nan 8.310 nan 0.000 0.486 479 E N -0.102 120.107 120.200 0.015 0.000 2.102 479 E HA 0.038 4.388 4.350 -0.000 0.000 0.190 479 E C 1.854 178.443 176.600 -0.019 0.000 0.971 479 E CA 0.649 57.039 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 0.264 nan 8.360 nan 0.000 0.460 480 V N 1.432 121.330 119.914 -0.026 0.000 3.217 480 V HA -0.110 4.010 4.120 -0.000 0.000 0.264 480 V C 1.990 178.128 176.094 0.074 0.000 1.135 480 V CA 0.802 63.084 62.300 -0.030 0.000 1.142 480 V CB -0.220 31.502 31.823 -0.170 0.000 0.754 480 V HN 0.183 nan 8.190 nan 0.000 0.484 481 L N -0.077 121.229 121.223 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 1.893 56.821 54.840 0.146 0.000 0.745 481 L CB -1.428 40.708 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 0.217 482 P C 1.351 178.649 177.300 -0.003 0.000 1.162 482 P CA 1.402 64.506 63.100 0.006 0.000 0.901 482 P CB -0.080 31.621 31.700 0.002 0.000 0.793 483 Q N -0.943 118.855 119.800 -0.003 0.000 2.062 483 Q HA -0.203 4.137 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 1.595 57.394 55.803 -0.007 0.000 0.859 483 Q CB -1.486 27.248 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 2.475 178.535 176.117 -0.095 0.000 1.061 484 I CA 1.593 62.845 61.300 -0.080 0.000 1.317 484 I CB -0.746 37.151 38.000 -0.173 0.000 1.031 484 I HN 0.282 nan 8.210 nan 0.000 0.401 485 Q N -0.108 119.641 119.800 -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 1.126 56.899 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 0.509 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 0.628 177.223 176.600 -0.009 0.000 1.039 486 E CA 0.552 56.947 56.400 -0.008 0.000 0.881 486 E CB 0.914 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 -1.906 112.639 114.554 -0.015 0.000 3.794 487 T HA 0.205 4.555 4.350 -0.000 0.000 0.300 487 T C 0.023 174.713 174.700 -0.016 0.000 0.961 487 T CA -0.545 61.549 62.100 -0.010 0.000 1.025 487 T CB -0.247 68.620 68.868 -0.003 0.000 1.175 487 T HN -0.024 nan 8.240 nan 0.000 0.474 488 T N -1.033 113.508 114.554 -0.022 0.000 2.894 488 T HA 0.808 5.157 4.350 -0.000 0.000 0.309 488 T C -0.637 174.056 174.700 -0.012 0.000 1.208 488 T CA -0.779 61.304 62.100 -0.029 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 2.353 125.166 122.820 -0.011 0.000 2.289 489 A HA 0.716 5.036 4.320 -0.000 0.000 0.298 489 A C 0.368 177.960 177.584 0.014 0.000 1.208 489 A CA -0.781 51.261 52.037 0.008 0.000 0.845 489 A CB 0.423 19.421 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 -1.619 174.724 176.300 0.070 0.000 0.968 490 R CA -0.298 55.839 56.100 0.062 0.000 0.849 490 R CB 0.457 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 5.904 126.517 120.570 0.071 0.000 2.466 491 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 491 I C -0.112 176.082 176.117 0.129 0.000 1.026 491 I CA -0.998 60.355 61.300 0.087 0.000 1.078 491 I CB 2.014 40.108 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 -0.331 60.859 61.300 -0.183 0.000 1.268 492 I CB 1.140 38.810 38.000 -0.550 0.000 1.387 492 I HN 0.405 nan 8.210 nan 0.000 0.478 493 F N 6.742 126.458 119.950 -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 -0.994 56.640 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 2.216 120.162 118.700 -1.257 0.000 2.733 494 N HA 0.291 5.031 4.740 -0.000 0.000 0.271 494 N C -0.217 174.731 175.510 -0.937 0.000 1.720 494 N CA -0.115 52.429 53.050 -0.844 0.000 0.803 494 N CB 0.591 38.797 38.487 -0.469 0.000 1.208 494 N HN 0.750 nan 8.380 nan 0.000 0.498 495 G N 1.220 109.255 108.800 -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 0.011 176.666 176.600 0.092 0.000 1.049 496 K CA 1.551 57.973 56.287 0.225 0.000 0.927 496 K CB -0.030 32.582 32.500 0.186 0.000 0.714 496 K HN 0.255 nan 8.250 nan 0.000 0.452 497 D N -2.176 118.221 120.400 -0.006 0.000 2.710 497 D HA 0.070 4.710 4.640 -0.000 0.000 0.276 497 D C -0.546 175.683 176.300 -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 1.642 122.779 121.223 -0.143 0.000 2.933 498 L HA 0.094 4.434 4.340 -0.000 0.000 0.258 498 L C -0.281 176.495 176.870 -0.157 0.000 1.253 498 L CA 0.790 55.508 54.840 -0.205 0.000 1.096 498 L CB -2.248 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 0.017 118.633 118.700 -0.140 0.000 2.362 499 N HA 0.410 5.149 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 1.776 40.232 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 0.030 41.949 42.059 -0.234 0.000 1.140 500 L HN 0.181 nan 8.230 nan 0.000 0.463 501 V N 3.030 122.893 119.914 -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 1.773 33.705 31.823 0.182 0.000 0.988 501 V HN 0.742 nan 8.190 nan 0.000 0.432 502 E N 4.267 124.492 120.200 0.042 0.000 2.214 502 E HA 0.706 5.056 4.350 -0.000 0.000 0.274 502 E C -1.020 175.616 176.600 0.060 0.000 0.977 502 E CA -0.840 55.591 56.400 0.053 0.000 0.827 502 E CB 1.148 30.868 29.700 0.033 0.000 1.130 502 E HN 0.513 nan 8.360 nan 0.000 0.394 503 R N 2.685 123.222 120.500 0.062 0.000 2.594 503 R HA 0.376 4.716 4.340 -0.000 0.000 0.265 503 R C -1.201 175.100 176.300 0.002 0.000 1.070 503 R CA -0.700 55.383 56.100 -0.028 0.000 0.909 503 R CB 1.726 31.763 30.300 -0.438 0.000 1.243 503 R HN 0.634 nan 8.270 nan 0.000 0.455 504 R N 1.650 122.169 120.500 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 55.226 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 1.225 121.753 120.570 -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 39.885 38.000 -0.092 0.000 1.293 505 I HN 0.661 nan 8.210 nan 0.000 0.449 506 A N 4.266 127.073 122.820 -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 -0.133 51.906 52.037 0.003 0.000 1.397 506 A CB -1.232 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 2.071 124.886 122.820 -0.009 0.000 2.302 507 A HA 0.619 4.939 4.320 -0.000 0.000 0.285 507 A C 0.746 178.328 177.584 -0.002 0.000 1.105 507 A CA 0.085 52.117 52.037 -0.009 0.000 0.816 507 A CB 0.324 19.317 19.000 -0.012 0.000 1.067 507 A HN 1.774 nan 8.150 nan 0.000 0.489 508 V N 0.250 120.162 119.914 -0.003 0.000 3.556 508 V HA 0.666 4.786 4.120 -0.000 0.000 0.292 508 V C 0.022 176.115 176.094 -0.003 0.000 1.030 508 V CA -0.703 61.597 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 0.506 119.205 118.700 -0.002 0.000 2.537 509 N HA 0.367 5.107 4.740 -0.000 0.000 0.281 509 N C -2.125 173.383 175.510 -0.003 0.000 1.097 509 N CA -1.135 51.913 53.050 -0.004 0.000 0.964 509 N CB 2.358 40.843 38.487 -0.002 0.000 1.588 509 N HN 0.494 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 64.448 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 -0.237 115.460 115.700 -0.004 0.000 2.387 511 S HA -0.139 4.331 4.470 -0.000 0.000 0.230 511 S C 1.065 175.664 174.600 -0.002 0.000 1.035 511 S CA 1.220 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 0.284 nan 8.310 nan 0.000 0.466 512 D N 1.390 121.790 120.400 -0.001 0.000 2.411 512 D HA 0.247 4.887 4.640 -0.000 0.000 0.225 512 D C -1.900 174.402 176.300 0.004 0.000 1.156 512 D CA -2.534 51.466 54.000 0.001 0.000 0.874 512 D CB 1.241 42.042 40.800 0.002 0.000 1.034 512 D HN -0.059 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 63.803 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 -1.624 40.444 42.059 0.016 0.000 0.889 514 L HN -0.163 nan 8.230 nan 0.000 0.432 515 E N -0.752 119.456 120.200 0.014 0.000 2.463 515 E HA -0.098 4.252 4.350 -0.000 0.000 0.201 515 E C 1.516 178.123 176.600 0.013 0.000 1.045 515 E CA 1.068 57.477 56.400 0.014 0.000 0.872 515 E CB -0.349 29.357 29.700 0.009 0.000 0.797 515 E HN 0.570 nan 8.360 nan 0.000 0.538 516 T N -1.150 113.411 114.554 0.011 0.000 3.188 516 T HA 0.064 4.414 4.350 -0.000 0.000 0.250 516 T C 1.077 175.785 174.700 0.014 0.000 1.077 516 T CA 0.458 62.564 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 0.044 nan 8.240 nan 0.000 0.552 517 T N 1.146 115.711 114.554 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 -0.009 62.105 62.100 0.023 0.000 1.040 517 T CB 0.320 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 2.509 122.925 120.400 0.027 0.000 2.382 518 K HA 0.237 4.557 4.320 -0.000 0.000 0.275 518 K C -2.680 173.936 176.600 0.028 0.000 1.009 518 K CA -1.463 54.843 56.287 0.032 0.000 0.970 518 K CB 0.010 32.527 32.500 0.028 0.000 0.934 518 K HN 0.037 nan 8.250 nan 0.000 0.479 519 P HA -0.062 nan 4.420 nan 0.000 0.270 519 P C -0.796 176.512 177.300 0.014 0.000 1.223 519 P CA 0.062 63.177 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 1.408 121.812 120.400 0.007 0.000 2.389 520 D HA 0.161 4.801 4.640 -0.000 0.000 0.247 520 D C -0.070 176.224 176.300 -0.008 0.000 1.128 520 D CA 0.574 54.573 54.000 -0.002 0.000 0.884 520 D CB 0.449 41.247 40.800 -0.003 0.000 1.194 520 D HN 0.166 nan 8.370 nan 0.000 0.441 521 M N 1.835 121.426 119.600 -0.015 0.000 2.227 521 M HA 0.181 4.661 4.480 -0.000 0.000 0.335 521 M C -0.566 175.716 176.300 -0.030 0.000 1.053 521 M CA -0.498 54.787 55.300 -0.025 0.000 0.973 521 M CB 1.613 34.196 32.600 -0.028 0.000 1.623 521 M HN 0.242 nan 8.290 nan 0.000 0.434 522 T N 2.215 116.748 114.554 -0.035 0.000 2.824 522 T HA 0.356 4.706 4.350 -0.000 0.000 0.280 522 T C 0.720 175.395 174.700 -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 1.810 123.013 121.223 -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 1.769 56.592 54.840 -0.028 0.000 0.773 523 L CB -0.860 41.213 42.059 0.023 0.000 0.906 523 L HN 0.910 nan 8.230 nan 0.000 0.439 524 K N -0.384 119.986 120.400 -0.050 0.000 1.974 524 K HA -0.237 4.083 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 1.365 57.617 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 0.541 120.705 120.200 -0.059 0.000 2.108 525 E HA -0.283 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 1.974 58.332 56.400 -0.069 0.000 0.823 525 E CB -0.375 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 0.281 123.035 122.820 -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 -0.104 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 -0.203 4.136 4.340 -0.000 0.000 0.214 527 L C 2.425 179.218 176.870 -0.128 0.000 1.097 527 L CA 2.024 56.672 54.840 -0.320 0.000 0.764 527 L CB -0.462 41.068 42.059 -0.881 0.000 0.900 527 L HN 0.395 nan 8.230 nan 0.000 0.436 528 K N -0.334 120.023 120.400 -0.070 0.000 2.001 528 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 528 K C 1.965 178.577 176.600 0.019 0.000 1.048 528 K CA 1.847 58.158 56.287 0.041 0.000 0.932 528 K CB -0.193 32.314 32.500 0.012 0.000 0.715 528 K HN 0.434 nan 8.250 nan 0.000 0.437 529 I N -2.839 117.678 120.570 -0.089 0.000 3.035 529 I HA 0.122 4.291 4.170 -0.000 0.000 0.271 529 I C 2.201 178.198 176.117 -0.200 0.000 1.190 529 I CA 0.592 61.803 61.300 -0.150 0.000 1.472 529 I CB -0.196 37.608 38.000 -0.326 0.000 1.116 529 I HN -0.127 nan 8.210 nan 0.000 0.443 530 A N 1.058 123.717 122.820 -0.268 0.000 1.969 530 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 530 A C 1.724 178.838 177.584 -0.784 0.000 1.169 530 A CA 1.614 53.332 52.037 -0.532 0.000 0.635 530 A CB -0.501 18.138 19.000 -0.602 0.000 0.810 530 A HN 0.520 nan 8.150 nan 0.000 0.445 531 F N -3.347 116.559 119.950 -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 0.259 39.156 39.000 -0.172 0.000 1.229 531 F HN 0.245 nan 8.300 nan 0.000 0.781 532 G N -0.923 108.134 108.800 0.429 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 44.604 45.100 0.376 0.000 0.879 532 G HN -0.028 nan 8.290 nan 0.000 0.669 533 F N 3.047 123.124 119.950 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 0.606 58.702 58.000 0.159 0.000 1.325 533 F CB 0.431 39.447 39.000 0.027 0.000 1.016 533 F HN 0.430 nan 8.300 nan 0.000 0.593 534 N N 0.825 119.661 118.700 0.227 0.000 2.831 534 N HA 0.354 5.094 4.740 -0.000 0.000 0.276 534 N C -1.735 173.853 175.510 0.131 0.000 1.416 534 N CA -1.001 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 0.547 nan 8.380 nan 0.000 0.541 535 E N 0.077 120.335 120.200 0.097 0.000 2.149 535 E HA 0.324 4.674 4.350 -0.000 0.000 0.255 535 E C -1.799 174.842 176.600 0.068 0.000 0.888 535 E CA -1.494 54.959 56.400 0.088 0.000 0.742 535 E CB 1.795 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 0.174 177.502 177.300 0.046 0.000 1.169 536 P CA 0.917 64.047 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 -2.111 116.617 118.700 0.047 0.000 2.234 537 N HA 0.290 5.030 4.740 -0.000 0.000 0.227 537 N C 0.550 176.088 175.510 0.047 0.000 1.151 537 N CA 0.522 53.597 53.050 0.042 0.000 0.865 537 N CB 0.943 39.451 38.487 0.036 0.000 1.066 537 N HN 0.254 nan 8.380 nan 0.000 0.515 538 G N 0.367 109.201 108.800 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 -0.303 174.641 174.900 0.074 0.000 0.995 538 G CA -0.637 44.498 45.100 0.059 0.000 0.754 538 G HN 0.229 nan 8.290 nan 0.000 0.505 539 N N -0.155 118.595 118.700 0.083 0.000 2.482 539 N HA 0.627 5.366 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 1.928 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 1.925 123.256 121.223 0.181 0.000 2.297 540 L HA 0.255 4.595 4.340 -0.000 0.000 0.277 540 L C -0.613 176.451 176.870 0.324 0.000 1.040 540 L CA -0.136 54.849 54.840 0.242 0.000 0.867 540 L CB 0.126 42.331 42.059 0.245 0.000 1.244 540 L HN 0.558 nan 8.230 nan 0.000 0.433 541 Q N 3.319 123.270 119.800 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 1.824 121.870 120.300 -0.424 0.000 2.717 542 Y HA 0.220 4.770 4.550 -0.000 0.000 0.329 542 Y C -0.747 175.024 175.900 -0.214 0.000 1.017 542 Y CA -0.346 57.326 58.100 -0.714 0.000 1.275 542 Y CB 0.170 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 4.405 123.891 119.800 -0.524 0.000 2.453 543 Q HA -0.271 4.069 4.340 -0.000 0.000 0.330 543 Q C 1.035 176.902 176.000 -0.220 0.000 1.417 543 Q CA 1.064 56.617 55.803 -0.418 0.000 0.902 543 Q CB -1.388 26.956 28.738 -0.657 0.000 1.154 543 Q HN 1.256 nan 8.270 nan 0.000 0.395 544 G N -0.061 108.677 108.800 -0.103 0.000 4.165 544 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.211 544 G HA3 -0.335 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 -0.045 45.038 45.100 -0.028 0.000 0.964 544 G HN 0.290 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 0.238 4.558 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 0.318 56.708 56.287 0.171 0.000 1.070 545 K CB 0.626 33.301 32.500 0.291 0.000 0.887 545 K HN 0.459 nan 8.250 nan 0.000 0.481 546 D N 2.943 123.486 120.400 0.238 0.000 2.345 546 D HA -0.034 4.606 4.640 -0.000 0.000 0.247 546 D C 1.128 177.736 176.300 0.513 0.000 1.108 546 D CA -0.357 53.821 54.000 0.296 0.000 0.894 546 D CB 0.931 41.846 40.800 0.193 0.000 1.203 546 D HN 0.374 nan 8.370 nan 0.000 0.430 547 I N 3.622 124.548 120.570 0.594 0.000 2.229 547 I HA -0.351 3.819 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 2.531 64.319 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 -2.659 112.234 114.554 0.564 0.000 2.977 548 T HA -0.166 4.183 4.350 -0.000 0.000 0.271 548 T C 1.552 176.381 174.700 0.216 0.000 1.105 548 T CA 1.401 63.641 62.100 0.233 0.000 1.116 548 T CB -0.699 68.128 68.868 -0.068 0.000 0.878 548 T HN 0.572 nan 8.240 nan 0.000 0.509 549 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 -0.257 0.000 1.074 549 E CA -0.084 56.273 56.400 -0.072 0.000 0.867 549 E CB 0.085 29.628 29.700 -0.261 0.000 0.924 549 E HN 0.573 nan 8.360 nan 0.000 0.502 550 F N -0.201 119.989 119.950 0.399 0.000 2.561 550 F HA 0.307 4.834 4.527 -0.000 0.000 0.321 550 F C 0.054 176.121 175.800 0.444 0.000 1.065 550 F CA -1.426 56.801 58.000 0.378 0.000 0.934 550 F CB 1.279 40.503 39.000 0.374 0.000 1.215 550 F HN -0.305 nan 8.300 nan 0.000 0.471 551 D N 0.939 121.635 120.400 0.494 0.000 2.280 551 D HA 0.374 5.014 4.640 -0.000 0.000 0.236 551 D C -1.158 175.310 176.300 0.281 0.000 1.082 551 D CA -0.182 54.066 54.000 0.413 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 2.896 122.849 119.950 0.004 0.000 2.427 552 F HA 0.358 4.885 4.527 -0.000 0.000 0.352 552 F C 0.913 176.388 175.800 -0.542 0.000 1.100 552 F CA -0.321 57.522 58.000 -0.262 0.000 1.191 552 F CB 0.669 39.524 39.000 -0.241 0.000 1.128 552 F HN 0.223 nan 8.300 nan 0.000 0.533 553 N N 3.265 121.613 118.700 -0.587 0.000 2.310 553 N HA 0.458 5.198 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 52.513 53.050 -0.485 0.000 0.849 553 N CB 1.898 40.343 38.487 -0.069 0.000 1.532 553 N HN 0.237 nan 8.380 nan 0.000 0.479 554 F N -0.144 119.970 119.950 0.273 0.000 2.782 554 F HA 0.443 4.970 4.527 -0.000 0.000 0.366 554 F C 0.374 176.222 175.800 0.080 0.000 1.171 554 F CA -0.858 57.297 58.000 0.258 0.000 1.064 554 F CB 0.270 39.365 39.000 0.158 0.000 1.449 554 F HN 0.339 nan 8.300 nan 0.000 0.520 555 D N -1.535 118.983 120.400 0.196 0.000 2.449 555 D HA 0.311 4.951 4.640 -0.000 0.000 0.250 555 D C 0.427 176.740 176.300 0.022 0.000 1.050 555 D CA -0.637 53.316 54.000 -0.080 0.000 1.024 555 D CB 0.683 41.345 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 1.818 177.822 176.000 0.007 0.000 0.999 556 Q CA 1.741 57.545 55.803 0.002 0.000 0.857 556 Q CB -0.182 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 -0.155 119.636 119.800 -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 -1.147 27.578 28.738 -0.021 0.000 0.918 557 Q HN 0.402 nan 8.270 nan 0.000 0.421 558 T N 1.426 115.980 114.554 -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 1.644 63.712 62.100 -0.053 0.000 1.145 558 T CB -0.380 68.509 68.868 0.036 0.000 0.858 558 T HN 0.337 nan 8.240 nan 0.000 0.459 559 S N 0.381 116.090 115.700 0.015 0.000 2.398 559 S HA -0.220 4.250 4.470 -0.000 0.000 0.220 559 S C 2.199 176.785 174.600 -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 62.825 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 1.611 57.406 55.803 -0.014 0.000 0.858 560 Q CB -1.223 27.511 28.738 -0.007 0.000 0.932 560 Q HN 0.601 nan 8.270 nan 0.000 0.416 561 N N 0.561 119.223 118.700 -0.062 0.000 2.314 561 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 561 N C 1.613 177.057 175.510 -0.109 0.000 1.007 561 N CA 1.064 54.067 53.050 -0.077 0.000 0.883 561 N CB -0.070 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 -0.245 120.232 120.570 -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 0.135 61.327 61.300 -0.180 0.000 1.446 562 I CB -0.300 37.488 38.000 -0.353 0.000 1.176 562 I HN -0.014 nan 8.210 nan 0.000 0.446 563 K N 1.542 121.906 120.400 -0.061 0.000 2.089 563 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 563 K C 1.772 178.360 176.600 -0.020 0.000 1.048 563 K CA 1.790 58.066 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 1.528 177.022 175.510 -0.026 0.000 1.025 564 N CA 0.959 53.995 53.050 -0.022 0.000 0.888 564 N CB 0.100 38.573 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 0.370 56.150 55.803 -0.038 0.000 0.877 565 Q CB 0.262 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 -0.070 121.136 121.223 -0.029 0.000 2.240 566 L HA -0.054 4.286 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 -0.440 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 0.451 123.267 122.820 -0.008 0.000 1.841 567 A HA -0.186 4.134 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 1.330 53.365 52.037 -0.003 0.000 0.611 567 A CB -0.429 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 -0.619 119.577 120.200 -0.007 0.000 2.526 568 E HA 0.099 4.449 4.350 -0.000 0.000 0.198 568 E C 0.421 177.018 176.600 -0.005 0.000 1.091 568 E CA 0.157 56.553 56.400 -0.006 0.000 0.880 568 E CB -0.089 29.606 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 -0.278 176.593 176.870 0.001 0.000 1.184 569 L CA -0.441 54.397 54.840 -0.003 0.000 1.002 569 L CB 0.288 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 2.520 121.221 118.700 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 0.771 123.597 122.820 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 0.096 52.142 52.037 0.015 0.000 0.697 571 A CB 1.211 20.219 19.000 0.014 0.000 1.277 571 A HN 0.338 nan 8.150 nan 0.000 0.411 572 T N -0.025 114.545 114.554 0.027 0.000 3.018 572 T HA 0.111 4.460 4.350 -0.000 0.000 0.246 572 T C 0.470 175.199 174.700 0.049 0.000 1.026 572 T CA 0.808 62.928 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 2.330 121.064 118.700 0.058 0.000 2.469 573 N HA 0.152 4.892 4.740 -0.000 0.000 0.239 573 N C 1.131 176.697 175.510 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 4.313 124.917 120.570 0.056 0.000 2.208 574 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 574 I C 0.889 176.932 176.117 -0.124 0.000 1.097 574 I CA 1.469 62.711 61.300 -0.096 0.000 1.363 574 I CB -0.004 37.830 38.000 -0.277 0.000 1.051 574 I HN 0.543 nan 8.210 nan 0.000 0.413 575 Y N 1.177 121.394 120.300 -0.138 0.000 2.516 575 Y HA -0.262 4.288 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 1.439 59.491 58.100 -0.080 0.000 1.350 575 Y CB -0.900 37.549 38.460 -0.019 0.000 0.967 575 Y HN 0.279 nan 8.280 nan 0.000 0.568 576 T N -0.706 113.917 114.554 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 0.881 120.800 119.914 0.009 0.000 3.570 577 V HA 0.237 4.357 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 0.281 62.576 62.300 -0.008 0.000 1.226 577 V CB -1.526 30.288 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 2.261 57.072 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 -1.882 118.516 120.400 -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 54.123 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 0.159 120.550 120.400 -0.015 0.000 2.603 580 K HA 0.196 4.516 4.320 -0.000 0.000 0.195 580 K C -0.199 176.385 176.600 -0.027 0.000 1.213 580 K CA -0.432 55.845 56.287 -0.016 0.000 1.084 580 K CB 1.481 33.975 32.500 -0.010 0.000 0.981 580 K HN 0.034 nan 8.250 nan 0.000 0.577 581 I N 3.047 123.596 120.570 -0.036 0.000 2.291 581 I HA 0.157 4.327 4.170 -0.000 0.000 0.290 581 I C 0.271 176.360 176.117 -0.046 0.000 1.050 581 I CA -0.455 60.815 61.300 -0.050 0.000 1.245 581 I CB 0.389 38.351 38.000 -0.064 0.000 1.405 581 I HN -0.117 nan 8.210 nan 0.000 0.478 582 K N 6.424 126.797 120.400 -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 1.195 33.675 32.500 -0.033 0.000 0.939 582 K HN 0.469 nan 8.250 nan 0.000 0.482 583 L N 2.613 123.812 121.223 -0.040 0.000 2.341 583 L HA 0.360 4.700 4.340 -0.000 0.000 0.278 583 L C 0.119 176.971 176.870 -0.030 0.000 1.005 583 L CA -0.494 54.322 54.840 -0.040 0.000 0.818 583 L CB 1.592 43.631 42.059 -0.034 0.000 1.259 583 L HN 0.566 nan 8.230 nan 0.000 0.418 584 N N 0.934 119.615 118.700 -0.031 0.000 2.384 584 N HA 0.667 5.407 4.740 -0.000 0.000 0.301 584 N C -0.450 175.052 175.510 -0.012 0.000 1.133 584 N CA -0.769 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 0.854 123.670 122.820 -0.008 0.000 2.429 585 A HA 0.119 4.439 4.320 -0.000 0.000 0.242 585 A C 0.592 178.178 177.584 0.004 0.000 1.088 585 A CA 0.345 52.381 52.037 -0.003 0.000 0.784 585 A CB -0.021 18.977 19.000 -0.003 0.000 1.038 585 A HN 0.965 nan 8.150 nan 0.000 0.501 586 K N -1.819 118.588 120.400 0.012 0.000 3.547 586 K HA -0.189 4.131 4.320 -0.000 0.000 0.309 586 K C 0.140 176.765 176.600 0.043 0.000 1.324 586 K CA 1.414 57.715 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 1.632 121.257 119.600 0.042 0.000 2.211 587 M HA 0.120 4.600 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 0.416 55.752 55.300 0.061 0.000 1.134 587 M CB 0.533 33.145 32.600 0.021 0.000 1.564 587 M HN 0.092 nan 8.290 nan 0.000 0.463 588 N N 5.465 124.302 118.700 0.229 0.000 2.372 588 N HA 0.594 5.334 4.740 -0.000 0.000 0.285 588 N C -1.491 174.324 175.510 0.509 0.000 1.008 588 N CA -0.629 52.658 53.050 0.395 0.000 0.880 588 N CB 1.907 40.779 38.487 0.642 0.000 1.239 588 N HN 0.516 nan 8.380 nan 0.000 0.484 589 I N 1.637 122.406 120.570 0.331 0.000 2.828 589 I HA 0.366 4.536 4.170 -0.000 0.000 0.302 589 I C -1.204 174.895 176.117 -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 40.578 38.000 0.289 0.000 1.231 589 I HN 0.292 nan 8.210 nan 0.000 0.427 590 L N 6.842 127.990 121.223 -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 0.493 42.364 42.059 -0.313 0.000 1.160 590 L HN 0.263 nan 8.230 nan 0.000 0.503 591 I N 4.068 124.442 120.570 -0.328 0.000 2.421 591 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 591 I C 0.644 176.744 176.117 -0.030 0.000 1.089 591 I CA 0.319 61.423 61.300 -0.326 0.000 1.354 591 I CB -0.099 37.574 38.000 -0.545 0.000 1.413 591 I HN 0.639 nan 8.210 nan 0.000 0.513 592 R N 3.655 124.191 120.500 0.060 0.000 2.854 592 R HA 0.494 4.834 4.340 -0.000 0.000 0.271 592 R C -0.620 175.928 176.300 0.414 0.000 0.994 592 R CA -0.942 55.205 56.100 0.078 0.000 0.945 592 R CB 1.737 31.926 30.300 -0.185 0.000 1.194 592 R HN 0.367 nan 8.270 nan 0.000 0.476 593 D N 1.332 121.958 120.400 0.377 0.000 2.458 593 D HA -0.021 4.619 4.640 -0.000 0.000 0.243 593 D C 0.170 176.653 176.300 0.304 0.000 1.146 593 D CA 0.363 54.506 54.000 0.237 0.000 0.877 593 D CB 1.332 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 1.920 178.563 176.600 0.071 0.000 1.048 594 K CA 0.265 56.633 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 -0.230 120.291 120.500 0.035 0.000 2.103 595 R HA -0.116 4.224 4.340 -0.000 0.000 0.242 595 R C 0.324 176.433 176.300 -0.320 0.000 1.142 595 R CA 1.088 57.087 56.100 -0.169 0.000 0.960 595 R CB -0.203 29.907 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 -0.000 0.000 0.324 596 F C 0.810 176.312 175.800 -0.497 0.000 1.093 596 F CA -0.927 56.843 58.000 -0.383 0.000 1.028 596 F CB 0.367 39.113 39.000 -0.423 0.000 1.309 596 F HN -0.136 nan 8.300 nan 0.000 0.499 597 H N -0.837 118.045 119.070 -0.312 0.000 2.472 597 H HA 0.413 4.969 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 55.235 56.048 -0.295 0.000 1.264 597 H CB 1.237 30.933 29.762 -0.110 0.000 1.486 597 H HN 0.405 nan 8.280 nan 0.000 0.517 598 Y N 0.757 121.155 120.300 0.163 0.000 2.570 598 Y HA 0.113 4.663 4.550 -0.000 0.000 0.345 598 Y C 0.288 176.224 175.900 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 0.712 nan 8.280 nan 0.000 0.477 599 D N -0.239 120.298 120.400 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 -0.425 53.655 54.000 0.132 0.000 1.095 599 D CB 0.438 41.292 40.800 0.091 0.000 1.173 599 D HN 0.251 nan 8.370 nan 0.000 0.604 600 R N -0.680 119.869 120.500 0.082 0.000 2.083 600 R HA -0.017 4.323 4.340 -0.000 0.000 0.237 600 R C 1.274 177.609 176.300 0.059 0.000 1.137 600 R CA 1.489 57.630 56.100 0.068 0.000 0.951 600 R CB -0.976 29.347 30.300 0.038 0.000 0.851 600 R HN 0.452 nan 8.270 nan 0.000 0.434 601 N N 1.139 119.866 118.700 0.046 0.000 2.421 601 N HA 0.014 4.754 4.740 -0.000 0.000 0.201 601 N C -0.663 174.868 175.510 0.034 0.000 1.198 601 N CA 0.143 53.214 53.050 0.035 0.000 0.838 601 N CB -0.045 38.451 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 -0.194 4.546 4.740 -0.000 0.000 0.249 602 N C -0.881 174.580 175.510 -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 -0.110 120.504 120.570 0.073 0.000 2.577 603 I HA 0.471 4.641 4.170 -0.000 0.000 0.305 603 I C 1.040 177.336 176.117 0.298 0.000 0.986 603 I CA -1.041 60.315 61.300 0.093 0.000 1.189 603 I CB 1.406 39.435 38.000 0.049 0.000 1.355 603 I HN 0.078 nan 8.210 nan 0.000 0.476 604 A N 4.375 127.326 122.820 0.218 0.000 2.491 604 A HA 0.380 4.700 4.320 -0.000 0.000 0.261 604 A C 0.638 178.273 177.584 0.085 0.000 1.101 604 A CA -0.174 51.951 52.037 0.147 0.000 0.772 604 A CB 0.127 19.052 19.000 -0.124 0.000 1.043 604 A HN 0.645 nan 8.150 nan 0.000 0.501 605 V N 1.863 121.829 119.914 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 -0.388 31.487 31.823 0.087 0.000 0.820 605 V HN 1.667 nan 8.190 nan 0.000 0.444 606 G N -0.045 108.805 108.800 0.083 0.000 2.277 606 G HA2 0.562 4.522 3.960 -0.000 0.000 0.272 606 G HA3 0.562 4.522 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 -0.012 45.099 45.100 0.018 0.000 0.926 606 G HN 0.484 nan 8.290 nan 0.000 0.720 607 A N 1.299 123.964 122.820 -0.258 0.000 2.517 607 A HA 0.877 5.196 4.320 -0.000 0.000 0.280 607 A C 0.252 177.534 177.584 -0.504 0.000 1.353 607 A CA -0.531 51.200 52.037 -0.511 0.000 0.907 607 A CB 0.480 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 -0.227 119.908 120.400 -0.442 0.000 2.358 608 D HA 0.140 4.780 4.640 -0.000 0.000 0.244 608 D C 0.927 177.108 176.300 -0.197 0.000 1.163 608 D CA -0.002 53.827 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 0.444 120.564 120.200 -0.134 0.000 2.038 609 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 609 E C 1.935 178.487 176.600 -0.081 0.000 1.000 609 E CA 1.075 57.417 56.400 -0.095 0.000 0.803 609 E CB -0.080 29.576 29.700 -0.073 0.000 0.750 609 E HN 0.272 nan 8.360 nan 0.000 0.448 610 S N 0.521 116.173 115.700 -0.079 0.000 2.434 610 S HA -0.189 4.281 4.470 -0.000 0.000 0.243 610 S C 2.063 176.622 174.600 -0.068 0.000 1.045 610 S CA 1.291 59.453 58.200 -0.064 0.000 1.019 610 S CB -0.236 62.924 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 -0.119 0.000 1.052 611 V CB -0.739 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 0.499 120.389 119.914 -0.041 0.000 2.278 612 V HA -0.355 3.765 4.120 -0.000 0.000 0.251 612 V C 2.467 178.671 176.094 0.185 0.000 1.062 612 V CA 2.336 64.682 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 0.070 0.000 1.985 613 K HA -0.250 4.070 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 1.718 58.057 56.287 0.086 0.000 0.932 613 K CB -0.339 32.178 32.500 0.029 0.000 0.716 613 K HN 0.393 nan 8.250 nan 0.000 0.439 614 E N 1.051 121.296 120.200 0.076 0.000 2.253 614 E HA -0.219 4.131 4.350 -0.000 0.000 0.202 614 E C 1.455 178.097 176.600 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 29.592 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 0.983 178.545 177.584 -0.037 0.000 1.154 615 A CA 0.752 52.807 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 -1.300 117.802 119.070 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 0.021 56.105 56.048 0.061 0.000 1.168 616 H CB -0.017 29.796 29.762 0.084 0.000 1.497 616 H HN 0.388 nan 8.280 nan 0.000 0.547 617 R N 1.585 122.170 120.500 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 -0.069 30.273 30.300 0.070 0.000 1.153 617 R HN 0.348 nan 8.270 nan 0.000 0.512 618 E N 0.293 120.537 120.200 0.073 0.000 2.373 618 E HA 0.164 4.514 4.350 -0.000 0.000 0.251 618 E C -1.399 175.228 176.600 0.045 0.000 0.923 618 E CA -0.539 55.889 56.400 0.047 0.000 0.798 618 E CB 2.252 31.963 29.700 0.019 0.000 1.303 618 E HN -0.022 nan 8.360 nan 0.000 0.412 619 V N 4.803 124.755 119.914 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 1.338 33.242 31.823 0.136 0.000 0.985 619 V HN 0.694 nan 8.190 nan 0.000 0.454 620 I N 1.927 122.505 120.570 0.012 0.000 3.345 620 I HA 0.236 4.406 4.170 -0.000 0.000 0.258 620 I C 0.676 176.801 176.117 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 0.613 nan 8.210 nan 0.000 0.461 621 N N 1.356 120.064 118.700 0.013 0.000 2.399 621 N HA 0.228 4.968 4.740 -0.000 0.000 0.284 621 N C -1.404 174.134 175.510 0.047 0.000 1.025 621 N CA 0.107 53.172 53.050 0.026 0.000 0.885 621 N CB 2.027 40.520 38.487 0.010 0.000 1.339 621 N HN -0.126 nan 8.380 nan 0.000 0.487 622 S N 1.381 117.125 115.700 0.072 0.000 2.438 622 S HA 0.504 4.974 4.470 -0.000 0.000 0.316 622 S C -0.380 174.293 174.600 0.122 0.000 1.084 622 S CA -0.531 57.737 58.200 0.113 0.000 1.107 622 S CB 1.217 64.512 63.200 0.159 0.000 0.981 622 S HN 0.570 nan 8.310 nan 0.000 0.466 623 S N 1.051 116.849 115.700 0.162 0.000 2.651 623 S HA 0.522 4.992 4.470 -0.000 0.000 0.279 623 S C 0.795 175.530 174.600 0.225 0.000 1.148 623 S CA -0.447 57.850 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 -0.330 114.325 114.554 0.167 0.000 3.252 624 T HA 0.305 4.655 4.350 -0.000 0.000 0.250 624 T C 0.697 175.547 174.700 0.250 0.000 1.123 624 T CA 0.480 62.670 62.100 0.150 0.000 1.006 624 T CB -0.295 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 0.282 120.661 120.200 0.299 0.000 2.256 625 E HA 0.449 4.799 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 0.111 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 4.520 3.960 -0.000 0.000 0.310 626 G HA3 0.561 4.520 3.960 -0.000 0.000 0.310 626 G C -1.917 172.769 174.900 -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 -1.307 175.510 176.870 -0.090 0.000 0.986 627 L CA -0.882 53.769 54.840 -0.315 0.000 0.820 627 L CB 2.267 43.998 42.059 -0.547 0.000 1.303 627 L HN 0.451 nan 8.230 nan 0.000 0.411 628 L N 4.434 125.675 121.223 0.029 0.000 2.325 628 L HA 0.710 5.050 4.340 -0.000 0.000 0.281 628 L C -1.251 175.613 176.870 -0.009 0.000 1.004 628 L CA -0.102 54.801 54.840 0.104 0.000 0.823 628 L CB 1.326 43.427 42.059 0.070 0.000 1.236 628 L HN 0.359 nan 8.230 nan 0.000 0.415 629 L N 3.559 124.773 121.223 -0.014 0.000 2.303 629 L HA 0.563 4.903 4.340 -0.000 0.000 0.256 629 L C 0.079 176.935 176.870 -0.024 0.000 1.034 629 L CA -0.577 54.244 54.840 -0.032 0.000 0.832 629 L CB 1.437 43.461 42.059 -0.058 0.000 1.403 629 L HN 0.465 nan 8.230 nan 0.000 0.419 630 N N 0.313 118.995 118.700 -0.029 0.000 2.714 630 N HA 0.397 5.137 4.740 -0.000 0.000 0.298 630 N C -0.639 174.839 175.510 -0.053 0.000 1.298 630 N CA -0.123 52.909 53.050 -0.029 0.000 1.007 630 N CB -0.248 38.229 38.487 -0.018 0.000 1.318 630 N HN 0.502 nan 8.380 nan 0.000 0.516 631 I N 0.188 120.707 120.570 -0.085 0.000 2.775 631 I HA -0.108 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 0.070 61.278 61.300 -0.153 0.000 1.433 631 I CB 0.251 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 6.995 127.348 120.400 -0.077 0.000 2.412 632 D HA -0.030 4.610 4.640 -0.000 0.000 0.257 632 D C 1.166 177.471 176.300 0.007 0.000 1.217 632 D CA -0.148 53.841 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 3.274 123.682 120.400 0.014 0.000 2.107 633 K HA -0.236 4.083 4.320 -0.000 0.000 0.211 633 K C 1.041 177.663 176.600 0.038 0.000 1.049 633 K CA 1.564 57.865 56.287 0.022 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 1.077 121.511 120.400 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 1.063 55.113 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 1.424 122.126 120.570 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 1.492 62.947 61.300 0.259 0.000 1.306 635 I CB -1.503 36.575 38.000 0.131 0.000 1.018 635 I HN 0.241 nan 8.210 nan 0.000 0.404 636 R N 2.060 122.617 120.500 0.096 0.000 2.204 636 R HA -0.218 4.122 4.340 -0.000 0.000 0.253 636 R C 1.733 178.066 176.300 0.056 0.000 1.172 636 R CA 1.765 57.909 56.100 0.074 0.000 0.994 636 R CB -0.708 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 1.185 121.619 120.400 0.057 0.000 2.555 637 K HA 0.025 4.345 4.320 -0.000 0.000 0.193 637 K C 1.654 178.273 176.600 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 -2.294 118.317 120.570 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 38.589 38.000 0.166 0.000 1.091 638 I HN -0.191 nan 8.210 nan 0.000 0.410 639 L N 1.428 122.652 121.223 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 43.175 42.059 -0.139 0.000 1.227 639 L HN 0.163 nan 8.230 nan 0.000 0.415 640 S N 2.707 118.371 115.700 -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 1.284 59.483 58.200 -0.003 0.000 1.005 640 S CB 0.302 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 -1.650 107.081 108.800 -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 -2.098 172.628 174.900 -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 -1.039 119.317 120.300 0.094 0.000 2.570 642 Y HA 0.781 5.330 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 -0.899 57.260 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 2.194 122.954 120.570 0.317 0.000 2.466 643 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 643 I C -1.330 174.832 176.117 0.074 0.000 1.026 643 I CA -0.988 60.429 61.300 0.196 0.000 1.078 643 I CB 1.777 39.930 38.000 0.255 0.000 1.249 643 I HN 0.187 nan 8.210 nan 0.000 0.429 644 V N 6.114 126.062 119.914 0.057 0.000 2.350 644 V HA 0.386 4.506 4.120 -0.000 0.000 0.285 644 V C -0.160 175.884 176.094 -0.084 0.000 1.014 644 V CA -0.514 61.772 62.300 -0.023 0.000 0.831 644 V CB 1.256 33.140 31.823 0.102 0.000 1.000 644 V HN 0.863 nan 8.190 nan 0.000 0.433 645 E N 5.428 125.523 120.200 -0.174 0.000 2.404 645 E HA 0.830 5.180 4.350 -0.000 0.000 0.264 645 E C -1.301 175.215 176.600 -0.140 0.000 0.946 645 E CA -1.114 55.213 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 0.258 4.428 4.170 -0.000 0.000 0.287 646 I C -0.790 175.239 176.117 -0.147 0.000 1.042 646 I CA -0.681 60.553 61.300 -0.110 0.000 1.067 646 I CB 2.050 40.010 38.000 -0.067 0.000 1.233 646 I HN 0.620 nan 8.210 nan 0.000 0.431 647 E N 5.751 125.856 120.200 -0.159 0.000 2.174 647 E HA 0.135 4.485 4.350 -0.000 0.000 0.282 647 E C -0.823 175.573 176.600 -0.340 0.000 0.992 647 E CA -0.579 55.712 56.400 -0.183 0.000 0.803 647 E CB 1.323 30.965 29.700 -0.098 0.000 1.090 647 E HN 0.495 nan 8.360 nan 0.000 0.396 648 D N 1.928 122.076 120.400 -0.420 0.000 2.371 648 D HA -0.049 4.591 4.640 -0.000 0.000 0.242 648 D C 1.022 177.170 176.300 -0.253 0.000 1.218 648 D CA 0.298 53.935 54.000 -0.605 0.000 0.945 648 D CB 1.346 41.905 40.800 -0.403 0.000 1.137 648 D HN 0.614 nan 8.370 nan 0.000 0.464 649 T N -1.145 113.347 114.554 -0.103 0.000 3.025 649 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 649 T C 1.364 176.060 174.700 -0.007 0.000 1.126 649 T CA 1.159 63.272 62.100 0.022 0.000 1.105 649 T CB 0.092 69.025 68.868 0.109 0.000 0.884 649 T HN 0.553 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 0.404 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 3.986 3.960 -0.000 0.000 0.234 651 G HA3 0.027 3.986 3.960 -0.000 0.000 0.234 651 G C -0.836 174.025 174.900 -0.065 0.000 1.884 651 G CA -0.524 44.541 45.100 -0.058 0.000 1.132 651 G HN 0.065 nan 8.290 nan 0.000 0.633 652 L N 0.475 121.637 121.223 -0.101 0.000 2.313 652 L HA 0.776 5.116 4.340 -0.000 0.000 0.268 652 L C -0.063 176.764 176.870 -0.072 0.000 1.010 652 L CA -1.200 53.585 54.840 -0.091 0.000 0.814 652 L CB 1.892 43.871 42.059 -0.133 0.000 1.304 652 L HN 0.037 nan 8.230 nan 0.000 0.441 653 K N 1.953 122.326 120.400 -0.044 0.000 2.753 653 K HA 0.293 4.613 4.320 -0.000 0.000 0.185 653 K C -1.125 175.467 176.600 -0.014 0.000 1.071 653 K CA -0.150 56.126 56.287 -0.018 0.000 0.999 653 K CB 1.368 33.874 32.500 0.011 0.000 1.244 653 K HN 0.477 nan 8.250 nan 0.000 0.594 654 E N 1.806 121.988 120.200 -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 -0.612 55.779 56.400 -0.014 0.000 0.779 654 E CB 1.233 30.926 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 4.234 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 1.166 33.003 31.823 0.023 0.000 0.982 655 V HN 0.781 nan 8.190 nan 0.000 0.443 656 I N 3.453 124.030 120.570 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 1.427 62.748 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 2.248 120.971 118.700 0.038 0.000 2.663 657 N HA -0.007 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 53.067 53.050 -0.028 0.000 0.995 657 N CB 0.507 38.989 38.487 -0.009 0.000 1.324 657 N HN 0.188 nan 8.380 nan 0.000 0.512 658 D N 1.853 122.217 120.400 -0.059 0.000 2.781 658 D HA 0.260 4.900 4.640 -0.000 0.000 0.254 658 D C -0.666 175.592 176.300 -0.070 0.000 1.213 658 D CA -0.273 53.704 54.000 -0.039 0.000 0.994 658 D CB 0.195 40.989 40.800 -0.011 0.000 1.019 658 D HN 0.365 nan 8.370 nan 0.000 0.514 659 R N 0.672 121.100 120.500 -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 -0.154 0.000 1.051 659 R CA -0.824 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 0.462 120.740 120.300 -0.037 0.000 2.241 660 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 660 Y C 0.816 176.697 175.900 -0.031 0.000 1.166 660 Y CA 1.910 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 0.490 176.489 176.300 -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 39.889 40.800 -0.671 0.000 0.974 661 D HN 0.482 nan 8.370 nan 0.000 0.498 662 M N 0.422 119.712 119.600 -0.517 0.000 2.778 662 M HA 0.300 4.780 4.480 -0.000 0.000 0.359 662 M C 0.520 176.599 176.300 -0.368 0.000 1.216 662 M CA -0.084 54.678 55.300 -0.896 0.000 0.935 662 M CB 0.691 32.696 32.600 -0.992 0.000 1.330 662 M HN 0.060 nan 8.290 nan 0.000 0.516 663 L N -0.611 120.539 121.223 -0.123 0.000 2.298 663 L HA 0.104 4.444 4.340 -0.000 0.000 0.209 663 L C 1.439 178.385 176.870 0.127 0.000 1.084 663 L CA 0.144 55.011 54.840 0.045 0.000 0.816 663 L CB -0.263 41.843 42.059 0.079 0.000 0.967 663 L HN 0.419 nan 8.230 nan 0.000 0.460 664 N N 2.244 121.025 118.700 0.135 0.000 2.380 664 N HA -0.050 4.690 4.740 -0.000 0.000 0.292 664 N C 0.475 176.103 175.510 0.198 0.000 1.302 664 N CA 0.457 53.602 53.050 0.158 0.000 1.007 664 N CB 0.599 39.164 38.487 0.130 0.000 1.408 664 N HN 0.494 nan 8.380 nan 0.000 0.487 665 I N -0.129 120.527 120.570 0.143 0.000 4.866 665 I HA 0.162 4.332 4.170 -0.000 0.000 0.325 665 I C 0.197 176.312 176.117 -0.003 0.000 1.240 665 I CA -0.459 60.878 61.300 0.063 0.000 1.355 665 I CB -0.294 37.759 38.000 0.088 0.000 1.395 665 I HN 0.230 nan 8.210 nan 0.000 0.479 666 S N 2.763 118.533 115.700 0.117 0.000 2.457 666 S HA 0.399 4.869 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 -0.392 57.876 58.200 0.113 0.000 1.112 666 S CB 0.100 63.514 63.200 0.357 0.000 1.018 666 S HN 0.365 nan 8.310 nan 0.000 0.511 667 S N 2.676 118.389 115.700 0.021 0.000 2.690 667 S HA 0.645 5.115 4.470 -0.000 0.000 0.291 667 S C -0.628 174.033 174.600 0.101 0.000 1.138 667 S CA -0.830 57.408 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 2.490 123.760 121.223 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 54.616 54.840 0.065 0.000 0.828 668 L CB 0.844 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 2.141 122.663 120.500 0.036 0.000 2.594 669 R HA 0.122 4.462 4.340 -0.000 0.000 0.272 669 R C 0.740 177.033 176.300 -0.012 0.000 1.074 669 R CA -0.003 56.093 56.100 -0.006 0.000 1.105 669 R CB 0.746 31.018 30.300 -0.046 0.000 1.008 669 R HN 0.718 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 0.354 176.340 176.000 -0.023 0.000 0.967 670 Q CA 1.753 57.544 55.803 -0.020 0.000 0.926 670 Q CB 0.014 28.738 28.738 -0.024 0.000 0.992 670 Q HN 0.689 nan 8.270 nan 0.000 0.506 671 D N -0.627 119.755 120.400 -0.030 0.000 2.363 671 D HA 0.097 4.737 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 0.611 54.592 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 -0.135 108.656 108.800 -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 -0.259 174.637 174.900 -0.008 0.000 1.015 672 G CA -0.111 44.983 45.100 -0.009 0.000 0.716 672 G HN 0.453 nan 8.290 nan 0.000 0.508 673 K N 0.515 120.912 120.400 -0.006 0.000 2.507 673 K HA 0.496 4.816 4.320 -0.000 0.000 0.251 673 K C -0.121 176.496 176.600 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 4.115 124.029 119.950 -0.060 0.000 2.518 675 F HA 0.608 5.135 4.527 -0.000 0.000 0.323 675 F C -0.930 174.790 175.800 -0.133 0.000 1.129 675 F CA -1.844 56.091 58.000 -0.109 0.000 0.920 675 F CB 0.641 39.583 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 -0.655 60.120 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 2.725 122.554 120.400 -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 53.139 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 -0.338 38.644 39.000 -0.031 0.000 1.028 678 F HN 0.318 nan 8.300 nan 0.000 0.492 679 K N 0.794 121.265 120.400 0.118 0.000 2.074 679 K HA -0.267 4.053 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 1.646 57.971 56.287 0.063 0.000 0.926 679 K CB -0.450 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 0.270 120.605 120.400 -0.108 0.000 2.173 680 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 680 K C 0.283 176.668 176.600 -0.357 0.000 1.046 680 K CA 1.484 57.604 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 -0.393 119.917 120.300 0.017 0.000 2.557 681 Y HA 0.234 4.784 4.550 -0.000 0.000 0.352 681 Y C -0.207 175.710 175.900 0.029 0.000 0.918 681 Y CA -0.700 57.409 58.100 0.015 0.000 1.232 681 Y CB 0.515 38.981 38.460 0.011 0.000 1.235 681 Y HN 0.074 nan 8.280 nan 0.000 0.596 682 N N 0.487 119.271 118.700 0.140 0.000 2.228 682 N HA 0.052 4.792 4.740 -0.000 0.000 0.237 682 N C -1.279 174.268 175.510 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 1.752 122.183 120.400 0.051 0.000 2.760 683 D HA -0.181 4.459 4.640 -0.000 0.000 0.244 683 D C 0.059 176.370 176.300 0.017 0.000 1.123 683 D CA 1.069 55.085 54.000 0.027 0.000 0.719 683 D CB -0.589 40.224 40.800 0.022 0.000 1.045 683 D HN 0.594 nan 8.370 nan 0.000 0.426 684 K N -2.290 118.115 120.400 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 1.487 57.779 56.287 0.008 0.000 1.101 684 K CB -0.839 31.663 32.500 0.004 0.000 1.421 684 K HN 0.418 nan 8.250 nan 0.000 0.440 685 L N 2.525 123.769 121.223 0.034 0.000 2.350 685 L HA 0.302 4.642 4.340 -0.000 0.000 0.275 685 L C -1.590 175.323 176.870 0.072 0.000 1.099 685 L CA -2.210 52.657 54.840 0.046 0.000 0.808 685 L CB 0.445 42.524 42.059 0.034 0.000 1.149 685 L HN -0.077 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 -0.375 62.795 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 -0.976 120.306 121.223 0.098 0.000 2.456 687 L HA 0.002 4.342 4.340 -0.000 0.000 0.266 687 L C 0.680 177.632 176.870 0.136 0.000 1.258 687 L CA 0.278 55.149 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 1.365 121.654 120.300 -0.018 0.000 2.447 688 Y HA 0.434 4.984 4.550 -0.000 0.000 0.325 688 Y C -0.292 175.612 175.900 0.007 0.000 0.976 688 Y CA -0.927 57.174 58.100 0.000 0.000 1.280 688 Y CB 0.628 39.094 38.460 0.011 0.000 1.104 688 Y HN 0.271 nan 8.280 nan 0.000 0.486 689 I N 5.579 125.942 120.570 -0.344 0.000 2.241 689 I HA 0.057 4.227 4.170 -0.000 0.000 0.294 689 I C 1.364 177.103 176.117 -0.631 0.000 1.145 689 I CA 0.039 61.122 61.300 -0.362 0.000 1.261 689 I CB 0.749 38.634 38.000 -0.192 0.000 1.475 689 I HN 0.694 nan 8.210 nan 0.000 0.533 690 S N 4.528 119.777 115.700 -0.751 0.000 2.400 690 S HA -0.127 4.342 4.470 -0.000 0.000 0.232 690 S C 0.892 175.155 174.600 -0.563 0.000 1.025 690 S CA 1.329 59.133 58.200 -0.658 0.000 0.993 690 S CB -0.026 63.037 63.200 -0.227 0.000 0.808 690 S HN 0.727 nan 8.310 nan 0.000 0.478 691 N N -0.260 117.952 118.700 -0.814 0.000 2.549 691 N HA 0.255 4.995 4.740 -0.000 0.000 0.290 691 N C -2.982 172.194 175.510 -0.555 0.000 1.122 691 N CA -1.496 51.070 53.050 -0.805 0.000 0.885 691 N CB 2.021 39.734 38.487 -1.290 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 -0.324 177.001 177.300 0.042 0.000 1.370 692 P CA 0.603 63.649 63.100 -0.090 0.000 0.760 692 P CB -0.019 31.648 31.700 -0.054 0.000 1.308 693 N N -2.172 116.503 118.700 -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 52.867 53.050 0.111 0.000 0.896 693 N CB 0.085 38.576 38.487 0.005 0.000 1.064 693 N HN 0.230 nan 8.380 nan 0.000 0.518 694 Y N 1.109 121.417 120.300 0.013 0.000 2.219 694 Y HA 0.207 4.757 4.550 -0.000 0.000 0.375 694 Y C 0.559 176.436 175.900 -0.039 0.000 1.333 694 Y CA -0.505 57.581 58.100 -0.024 0.000 1.799 694 Y CB 0.649 39.075 38.460 -0.058 0.000 1.611 694 Y HN -0.359 nan 8.280 nan 0.000 0.635 695 K N 0.747 121.203 120.400 0.093 0.000 2.345 695 K HA 0.429 4.749 4.320 -0.000 0.000 0.255 695 K C -1.649 174.912 176.600 -0.065 0.000 0.934 695 K CA -0.692 55.581 56.287 -0.024 0.000 0.801 695 K CB 2.273 34.740 32.500 -0.055 0.000 1.137 695 K HN 0.207 nan 8.250 nan 0.000 0.424 696 V N 3.927 123.779 119.914 -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 -0.895 61.329 62.300 -0.126 0.000 0.844 696 V CB 0.670 32.422 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 0.650 5.390 4.740 -0.000 0.000 0.295 697 N C -0.798 174.504 175.510 -0.347 0.000 1.076 697 N CA -0.272 52.610 53.050 -0.280 0.000 0.919 697 N CB 2.442 40.684 38.487 -0.408 0.000 1.176 697 N HN 0.364 nan 8.380 nan 0.000 0.487 698 V N 2.741 122.490 119.914 -0.275 0.000 2.638 698 V HA 0.442 4.562 4.120 -0.000 0.000 0.306 698 V C -1.189 174.853 176.094 -0.088 0.000 1.052 698 V CA -0.718 61.498 62.300 -0.140 0.000 0.885 698 V CB 1.049 32.927 31.823 0.091 0.000 0.999 698 V HN 0.471 nan 8.190 nan 0.000 0.424 699 Y N 1.728 122.136 120.300 0.179 0.000 2.598 699 Y HA 0.868 5.418 4.550 -0.000 0.000 0.340 699 Y C 0.372 176.480 175.900 0.345 0.000 1.038 699 Y CA -1.433 56.775 58.100 0.179 0.000 1.100 699 Y CB 2.045 40.570 38.460 0.108 0.000 1.281 699 Y HN 0.732 nan 8.280 nan 0.000 0.488 700 A N 0.812 123.875 122.820 0.406 0.000 2.340 700 A HA 0.820 5.140 4.320 -0.000 0.000 0.331 700 A C -1.547 176.062 177.584 0.042 0.000 1.140 700 A CA -0.717 51.425 52.037 0.176 0.000 0.801 700 A CB 0.971 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 2.638 122.519 119.914 -0.055 0.000 2.349 701 V HA 0.359 4.479 4.120 -0.000 0.000 0.284 701 V C 0.537 176.606 176.094 -0.041 0.000 1.014 701 V CA -0.325 61.963 62.300 -0.019 0.000 0.826 701 V CB 1.079 32.914 31.823 0.020 0.000 1.009 701 V HN 1.081 nan 8.190 nan 0.000 0.431 702 T N 1.462 115.999 114.554 -0.028 0.000 2.932 702 T HA 0.164 4.514 4.350 -0.000 0.000 0.312 702 T C 1.143 175.834 174.700 -0.014 0.000 1.071 702 T CA -0.316 61.772 62.100 -0.021 0.000 1.128 702 T CB 0.967 69.822 68.868 -0.021 0.000 0.984 702 T HN 0.608 nan 8.240 nan 0.000 0.549 703 K N 1.123 121.518 120.400 -0.008 0.000 2.113 703 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 703 K C 2.403 178.995 176.600 -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 0.262 120.466 120.200 0.007 0.000 2.268 704 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 704 E C 1.303 177.906 176.600 0.004 0.000 0.995 704 E CA 0.930 57.339 56.400 0.016 0.000 0.836 704 E CB 0.006 29.737 29.700 0.051 0.000 0.763 704 E HN 0.229 nan 8.360 nan 0.000 0.491 705 N N 0.513 119.212 118.700 -0.002 0.000 2.368 705 N HA -0.022 4.718 4.740 -0.000 0.000 0.178 705 N C 0.418 175.924 175.510 -0.008 0.000 1.076 705 N CA 0.542 53.589 53.050 -0.005 0.000 0.889 705 N CB 0.586 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 1.610 116.157 114.554 -0.011 0.000 2.900 706 T HA 0.360 4.709 4.350 -0.000 0.000 0.307 706 T C 0.447 175.128 174.700 -0.032 0.000 1.065 706 T CA -0.385 61.715 62.100 -0.000 0.000 1.105 706 T CB 0.264 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 1.912 122.480 120.570 -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 -0.069 0.000 1.041 707 I CA -1.197 60.066 61.300 -0.062 0.000 1.053 707 I CB 1.806 39.767 38.000 -0.065 0.000 1.248 707 I HN 0.568 nan 8.210 nan 0.000 0.471 708 I N -0.730 119.716 120.570 -0.206 0.000 4.439 708 I HA 0.501 4.671 4.170 -0.000 0.000 0.331 708 I C -0.359 175.383 176.117 -0.626 0.000 1.345 708 I CA -0.217 60.955 61.300 -0.213 0.000 1.193 708 I CB -0.880 36.992 38.000 -0.213 0.000 1.221 708 I HN 0.641 nan 8.210 nan 0.000 0.429 709 N N 0.220 118.458 118.700 -0.771 0.000 2.494 709 N HA 0.608 5.348 4.740 -0.000 0.000 0.270 709 N C -2.890 172.248 175.510 -0.620 0.000 1.285 709 N CA -1.230 51.307 53.050 -0.855 0.000 0.812 709 N CB 1.689 39.920 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 0.081 63.122 63.100 -0.097 0.000 0.772 710 P CB 0.518 32.235 31.700 0.028 0.000 0.855 711 S N 1.427 117.101 115.700 -0.043 0.000 2.641 711 S HA -0.033 4.437 4.470 -0.000 0.000 0.251 711 S C 1.554 176.136 174.600 -0.030 0.000 1.332 711 S CA -0.504 57.672 58.200 -0.039 0.000 0.968 711 S CB 0.035 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 1.572 121.757 120.200 -0.025 0.000 2.113 712 E HA -0.263 4.087 4.350 -0.000 0.000 0.210 712 E C 1.611 178.205 176.600 -0.009 0.000 1.040 712 E CA 2.247 58.636 56.400 -0.018 0.000 0.847 712 E CB -0.847 28.845 29.700 -0.014 0.000 0.755 712 E HN 0.718 nan 8.360 nan 0.000 0.459 713 N N -0.494 118.205 118.700 -0.002 0.000 2.132 713 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 713 N C 1.377 176.895 175.510 0.012 0.000 1.069 713 N CA 1.458 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 -1.831 106.981 108.800 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 -1.323 173.606 174.900 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 2.464 122.889 120.400 0.042 0.000 2.429 715 D HA 0.162 4.802 4.640 -0.000 0.000 0.253 715 D C 1.529 177.885 176.300 0.093 0.000 1.294 715 D CA 0.502 54.533 54.000 0.051 0.000 1.063 715 D CB 0.868 41.689 40.800 0.035 0.000 1.096 715 D HN 0.317 nan 8.370 nan 0.000 0.516 716 T N -1.481 113.138 114.554 0.108 0.000 3.406 716 T HA 0.202 4.552 4.350 -0.000 0.000 0.244 716 T C 0.486 175.239 174.700 0.089 0.000 0.949 716 T CA -0.730 61.471 62.100 0.169 0.000 0.926 716 T CB -0.437 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 -0.180 115.571 115.700 0.084 0.000 2.600 717 S HA 0.484 4.954 4.470 -0.000 0.000 0.300 717 S C 0.665 175.304 174.600 0.066 0.000 1.087 717 S CA -0.493 57.736 58.200 0.049 0.000 0.965 717 S CB 1.460 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 -0.593 113.992 114.554 0.053 0.000 3.658 718 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 718 T C 0.920 175.656 174.700 0.060 0.000 1.060 718 T CA 0.285 62.425 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 2.410 121.139 118.700 0.049 0.000 2.048 719 N HA 0.041 4.780 4.740 -0.000 0.000 0.193 719 N C 1.476 177.002 175.510 0.028 0.000 1.061 719 N CA 1.413 54.484 53.050 0.036 0.000 0.849 719 N CB -0.763 37.742 38.487 0.029 0.000 1.044 719 N HN 0.489 nan 8.380 nan 0.000 0.429 720 G N 0.450 109.264 108.800 0.024 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 -0.247 120.332 120.570 0.015 0.000 2.647 721 I HA 0.298 4.467 4.170 -0.000 0.000 0.295 721 I C -0.107 176.004 176.117 -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 2.091 122.435 120.400 -0.092 0.000 2.136 723 K HA 0.293 4.612 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 -0.395 55.822 56.287 -0.117 0.000 0.880 723 K CB 0.779 33.189 32.500 -0.150 0.000 1.105 723 K HN 0.204 nan 8.250 nan 0.000 0.507 724 I N 0.726 121.197 120.570 -0.166 0.000 2.619 724 I HA 0.160 4.330 4.170 -0.000 0.000 0.292 724 I C -0.536 175.558 176.117 -0.037 0.000 1.100 724 I CA -1.092 60.126 61.300 -0.138 0.000 1.043 724 I CB 2.195 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 -0.053 0.000 2.600 725 L HA 0.118 4.457 4.340 -0.000 0.000 0.278 725 L C 0.207 177.164 176.870 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 0.619 nan 8.230 nan 0.000 0.471 726 I N 5.341 126.038 120.570 0.212 0.000 3.039 726 I HA 0.184 4.353 4.170 -0.000 0.000 0.270 726 I C 0.040 176.273 176.117 0.193 0.000 1.150 726 I CA 0.644 61.979 61.300 0.058 0.000 1.448 726 I CB 0.045 38.004 38.000 -0.068 0.000 1.197 726 I HN 0.394 nan 8.210 nan 0.000 0.450 727 F N -0.208 119.743 119.950 0.002 0.000 2.565 727 F HA 0.657 5.184 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 56.868 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 -0.304 nan 8.300 nan 0.000 0.453 728 S N 5.509 120.876 115.700 -0.555 0.000 2.689 728 S HA 0.376 4.846 4.470 -0.000 0.000 0.151 728 S C -1.640 172.646 174.600 -0.524 0.000 1.155 728 S CA -0.693 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 2.285 122.266 120.400 -0.700 0.000 2.267 729 K HA 0.556 4.876 4.320 -0.000 0.000 0.246 729 K C -0.027 176.384 176.600 -0.316 0.000 0.954 729 K CA -0.985 54.995 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 0.034 120.251 120.400 -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 56.243 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 0.975 175.905 174.900 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 -0.288 119.994 120.300 -0.031 0.000 2.461 732 Y HA 0.477 5.027 4.550 -0.000 0.000 0.277 732 Y C 1.292 177.187 175.900 -0.008 0.000 1.182 732 Y CA -0.846 57.240 58.100 -0.023 0.000 1.276 732 Y CB -0.110 38.332 38.460 -0.029 0.000 1.087 732 Y HN 0.214 nan 8.280 nan 0.000 0.519 733 E N 0.346 120.402 120.200 -0.240 0.000 2.569 733 E HA 0.297 4.647 4.350 -0.000 0.000 0.205 733 E C 0.516 177.089 176.600 -0.046 0.000 1.006 733 E CA 0.097 56.390 56.400 -0.178 0.000 0.985 733 E CB 0.360 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 -0.876 119.693 120.570 -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 61.133 61.300 0.056 0.000 1.840 734 I CB 0.692 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