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 3ibj_1_A DATA FIRST_RESID 223 DATA SEQUENCE YTDRDRKILQ LCGELYDLDA SSLQLKVLQY LQQETRASRC CLLLVSEDNL DATA SEQUENCE QLSCKVIGDK VLGEEVSFPL TGCLGQVVED KKSIQLKDLT SEDVQQLQSM DATA SEQUENCE LGCELQAMLC VPVISRATDQ VVALACAFNK LEGDLFTDED EHVIQHCFHY DATA SEQUENCE TSTVLTSTLA FQKEQKLKCE CQALLQVAKN LFTHLDDVSV LLQEIITEAR DATA SEQUENCE NLSNAEICSV FLLDQNELVA KVFDGGVVDD ESYEIRIPAD QGIAGHVATT DATA SEQUENCE GQILNIPDAY AHPLFXXXXX XSTGFRTRNI LCFPIKNENQ EVIGVAELVN DATA SEQUENCE KINGPWFSKF DEDLATAFSI YCGISIAHSL LYKKVNEAQY RSHLANEMMM DATA SEQUENCE YHMKVSDDEY TKLLHDGIQP VAAIDSNFAS FTYTPRSLPE DDTSMAILSM DATA SEQUENCE LQDMNFINNY KIDCPTLARF CLMVKKGYRD PPYHNWMHAF SVSHFCYLLY DATA SEQUENCE KNLELTNYLE DIEIFALFIS CMCHDLDHRG TNNSFQVASK SVLAALYSSE DATA SEQUENCE GSVMERHHFA QAIAILNTHG CNIFDHFSRK DYQRMLDLMR DIILATDLAH DATA SEQUENCE HLRIFKDLQK MAEVGYDRNN KQHHRLLLCL LMTSCDLSDQ TKGWKTTRKI DATA SEQUENCE AELIYKEFFS QGDLEKAXXX XXXXXXXXEK AYIPELQISF MEHIAMPIYK DATA SEQUENCE LLQDLFPKAA ELYERVASNR EHWTKVSH 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 223 Y HA 0.000 nan 4.550 nan 0.000 0.201 223 Y C 0.000 175.923 175.900 0.038 0.000 1.272 223 Y CA 0.000 58.117 58.100 0.028 0.000 1.940 223 Y CB 0.000 38.491 38.460 0.051 0.000 1.050 224 T N 0.428 115.098 114.554 0.194 0.000 2.869 224 T HA -0.194 4.156 4.350 0.001 0.000 0.270 224 T C 1.403 176.180 174.700 0.128 0.000 1.082 224 T CA 1.998 64.187 62.100 0.148 0.000 1.123 224 T CB -0.129 68.792 68.868 0.089 0.000 0.856 224 T HN 0.451 nan 8.240 nan 0.000 0.499 225 D N 0.462 120.917 120.400 0.092 0.000 2.123 225 D HA -0.019 4.622 4.640 0.001 0.000 0.200 225 D C 2.388 178.753 176.300 0.109 0.000 0.976 225 D CA 0.677 54.714 54.000 0.062 0.000 0.831 225 D CB 0.172 40.972 40.800 -0.001 0.000 0.974 225 D HN 0.308 nan 8.370 nan 0.000 0.469 226 R N 0.721 121.325 120.500 0.174 0.000 2.075 226 R HA -0.080 4.261 4.340 0.001 0.000 0.232 226 R C 0.908 177.411 176.300 0.338 0.000 1.126 226 R CA 0.795 57.053 56.100 0.262 0.000 0.963 226 R CB -0.328 30.168 30.300 0.326 0.000 0.858 226 R HN 0.123 nan 8.270 nan 0.000 0.435 227 D N 0.291 120.899 120.400 0.347 0.000 2.370 227 D HA -0.044 4.597 4.640 0.001 0.000 0.256 227 D C 1.257 177.625 176.300 0.113 0.000 1.197 227 D CA 0.628 54.764 54.000 0.227 0.000 0.922 227 D CB 0.027 40.949 40.800 0.203 0.000 0.911 227 D HN 0.178 nan 8.370 nan 0.000 0.517 228 R N -0.308 120.268 120.500 0.126 0.000 2.191 228 R HA 0.165 4.506 4.340 0.001 0.000 0.187 228 R C 1.816 178.169 176.300 0.088 0.000 1.078 228 R CA -0.149 55.998 56.100 0.079 0.000 1.139 228 R CB 0.547 30.890 30.300 0.073 0.000 1.120 228 R HN -0.093 nan 8.270 nan 0.000 0.536 229 K N 0.718 121.201 120.400 0.139 0.000 2.097 229 K HA -0.093 4.227 4.320 0.001 0.000 0.206 229 K C 1.828 178.547 176.600 0.198 0.000 1.049 229 K CA 0.971 57.371 56.287 0.189 0.000 0.933 229 K CB 0.011 32.659 32.500 0.246 0.000 0.717 229 K HN 0.100 nan 8.250 nan 0.000 0.442 230 I N 1.461 122.133 120.570 0.170 0.000 2.233 230 I HA -0.196 3.974 4.170 0.001 0.000 0.243 230 I C 2.160 178.242 176.117 -0.058 0.000 1.093 230 I CA 0.746 62.068 61.300 0.037 0.000 1.380 230 I CB -0.770 37.276 38.000 0.077 0.000 1.067 230 I HN 0.122 nan 8.210 nan 0.000 0.413 231 L N 0.612 121.795 121.223 -0.067 0.000 2.079 231 L HA -0.239 4.102 4.340 0.001 0.000 0.210 231 L C 2.394 179.245 176.870 -0.032 0.000 1.081 231 L CA 1.796 56.583 54.840 -0.089 0.000 0.752 231 L CB -1.245 40.772 42.059 -0.071 0.000 0.896 231 L HN 0.414 nan 8.230 nan 0.000 0.433 232 Q N -1.304 118.501 119.800 0.009 0.000 2.167 232 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 232 Q C 2.140 178.160 176.000 0.033 0.000 0.970 232 Q CA 1.154 56.977 55.803 0.033 0.000 0.855 232 Q CB 0.093 28.867 28.738 0.061 0.000 0.911 232 Q HN 0.398 nan 8.270 nan 0.000 0.438 233 L N 0.175 121.401 121.223 0.004 0.000 2.007 233 L HA -0.158 4.183 4.340 0.001 0.000 0.205 233 L C 2.321 179.169 176.870 -0.035 0.000 1.073 233 L CA 1.715 56.530 54.840 -0.043 0.000 0.744 233 L CB -1.044 40.897 42.059 -0.198 0.000 0.898 233 L HN 0.361 nan 8.230 nan 0.000 0.435 234 C N 0.024 119.294 119.300 -0.049 0.000 2.410 234 C HA -0.059 4.402 4.460 0.001 0.000 0.281 234 C C 2.727 177.734 174.990 0.029 0.000 1.318 234 C CA 0.298 59.302 59.018 -0.022 0.000 1.776 234 C CB -2.313 25.401 27.740 -0.044 0.000 1.942 234 C HN 0.719 nan 8.230 nan 0.000 0.508 235 G N 0.472 109.292 108.800 0.033 0.000 2.422 235 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 235 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 235 G C 1.671 176.682 174.900 0.183 0.000 1.146 235 G CA 0.754 45.894 45.100 0.066 0.000 0.769 235 G HN 0.535 nan 8.290 nan 0.000 0.547 236 E N 0.050 120.354 120.200 0.172 0.000 2.230 236 E HA 0.104 4.455 4.350 0.001 0.000 0.192 236 E C 1.600 178.212 176.600 0.021 0.000 0.987 236 E CA -0.058 56.483 56.400 0.234 0.000 0.841 236 E CB -0.106 29.654 29.700 0.099 0.000 0.783 236 E HN 0.362 nan 8.360 nan 0.000 0.481 237 L N 2.643 123.863 121.223 -0.005 0.000 2.697 237 L HA -0.036 4.305 4.340 0.001 0.000 0.239 237 L C 0.389 177.217 176.870 -0.070 0.000 1.430 237 L CA 0.002 54.783 54.840 -0.099 0.000 1.193 237 L CB -0.715 41.313 42.059 -0.050 0.000 1.516 237 L HN 0.177 nan 8.230 nan 0.000 0.439 238 Y N -3.256 117.033 120.300 -0.018 0.000 2.636 238 Y HA 0.407 4.957 4.550 0.000 0.000 0.260 238 Y C 0.110 175.996 175.900 -0.024 0.000 1.177 238 Y CA -1.723 56.362 58.100 -0.024 0.000 1.209 238 Y CB -0.713 37.733 38.460 -0.023 0.000 1.166 238 Y HN 0.196 nan 8.280 nan 0.000 0.531 239 D N 1.234 121.405 120.400 -0.381 0.000 2.362 239 D HA 0.174 4.815 4.640 0.001 0.000 0.242 239 D C 0.842 177.089 176.300 -0.087 0.000 1.132 239 D CA -0.048 53.816 54.000 -0.226 0.000 0.907 239 D CB 1.501 42.156 40.800 -0.242 0.000 1.195 239 D HN 0.255 nan 8.370 nan 0.000 0.429 240 L N 0.039 121.234 121.223 -0.048 0.000 2.416 240 L HA 0.098 4.439 4.340 0.001 0.000 0.216 240 L C 0.740 177.605 176.870 -0.009 0.000 1.098 240 L CA 0.425 55.240 54.840 -0.042 0.000 0.840 240 L CB 0.111 42.151 42.059 -0.030 0.000 0.981 240 L HN 0.475 nan 8.230 nan 0.000 0.462 241 D N 0.732 121.130 120.400 -0.003 0.000 2.317 241 D HA 0.200 4.841 4.640 0.001 0.000 0.234 241 D C 0.880 177.186 176.300 0.009 0.000 1.112 241 D CA 0.053 54.066 54.000 0.022 0.000 0.840 241 D CB 2.324 43.133 40.800 0.015 0.000 1.078 241 D HN 0.058 nan 8.370 nan 0.000 0.486 242 A N 3.265 126.104 122.820 0.030 0.000 2.084 242 A HA -0.157 4.164 4.320 0.001 0.000 0.221 242 A C 2.143 179.732 177.584 0.008 0.000 1.161 242 A CA 1.328 53.375 52.037 0.018 0.000 0.653 242 A CB -0.022 18.995 19.000 0.028 0.000 0.802 242 A HN 0.543 nan 8.150 nan 0.000 0.457 243 S N -0.109 115.596 115.700 0.009 0.000 2.377 243 S HA -0.071 4.399 4.470 0.001 0.000 0.223 243 S C 2.205 176.806 174.600 0.001 0.000 1.030 243 S CA 1.244 59.450 58.200 0.008 0.000 0.970 243 S CB -0.172 63.035 63.200 0.011 0.000 0.830 243 S HN 0.779 nan 8.310 nan 0.000 0.473 244 S N 1.857 117.548 115.700 -0.014 0.000 2.453 244 S HA 0.136 4.606 4.470 0.001 0.000 0.231 244 S C 1.662 176.228 174.600 -0.057 0.000 1.005 244 S CA 0.551 58.729 58.200 -0.036 0.000 0.949 244 S CB -0.291 62.877 63.200 -0.053 0.000 0.774 244 S HN 0.338 nan 8.310 nan 0.000 0.510 245 L N 1.127 122.320 121.223 -0.050 0.000 2.095 245 L HA -0.033 4.308 4.340 0.001 0.000 0.204 245 L C 2.814 179.677 176.870 -0.011 0.000 1.080 245 L CA 0.959 55.767 54.840 -0.053 0.000 0.759 245 L CB -0.563 41.471 42.059 -0.042 0.000 0.914 245 L HN 0.355 nan 8.230 nan 0.000 0.439 246 Q N 0.019 119.827 119.800 0.013 0.000 2.135 246 Q HA -0.208 4.133 4.340 0.001 0.000 0.204 246 Q C 2.325 178.354 176.000 0.048 0.000 0.981 246 Q CA 1.239 57.070 55.803 0.046 0.000 0.856 246 Q CB -0.108 28.658 28.738 0.047 0.000 0.902 246 Q HN 0.525 nan 8.270 nan 0.000 0.425 247 L N 0.882 122.122 121.223 0.028 0.000 1.955 247 L HA -0.265 4.076 4.340 0.001 0.000 0.213 247 L C 2.399 179.289 176.870 0.035 0.000 1.072 247 L CA 1.674 56.533 54.840 0.032 0.000 0.755 247 L CB -0.442 41.626 42.059 0.015 0.000 0.888 247 L HN 0.214 nan 8.230 nan 0.000 0.432 248 K N -0.560 119.845 120.400 0.008 0.000 2.074 248 K HA -0.184 4.136 4.320 0.001 0.000 0.209 248 K C 1.879 178.495 176.600 0.027 0.000 1.048 248 K CA 1.522 57.816 56.287 0.012 0.000 0.926 248 K CB -0.452 32.029 32.500 -0.032 0.000 0.713 248 K HN 0.163 nan 8.250 nan 0.000 0.444 249 V N 1.341 121.258 119.914 0.005 0.000 2.343 249 V HA -0.215 3.906 4.120 0.001 0.000 0.247 249 V C 2.178 178.308 176.094 0.060 0.000 1.051 249 V CA 1.353 63.637 62.300 -0.026 0.000 1.036 249 V CB -0.399 31.427 31.823 0.005 0.000 0.654 249 V HN 0.184 nan 8.190 nan 0.000 0.451 250 L N -0.456 120.821 121.223 0.090 0.000 2.044 250 L HA -0.101 4.240 4.340 0.001 0.000 0.205 250 L C 2.390 179.335 176.870 0.124 0.000 1.075 250 L CA 1.736 56.644 54.840 0.114 0.000 0.747 250 L CB -0.957 41.167 42.059 0.108 0.000 0.903 250 L HN 0.306 nan 8.230 nan 0.000 0.435 251 Q N -2.409 117.457 119.800 0.111 0.000 2.500 251 Q HA -0.193 4.147 4.340 0.001 0.000 0.213 251 Q C 1.717 177.801 176.000 0.140 0.000 0.974 251 Q CA 0.967 56.832 55.803 0.103 0.000 0.918 251 Q CB -0.175 28.610 28.738 0.079 0.000 0.980 251 Q HN 0.681 nan 8.270 nan 0.000 0.505 252 Y N -1.069 119.234 120.300 0.005 0.000 2.343 252 Y HA 0.030 4.580 4.550 0.001 0.000 0.294 252 Y C 1.227 177.124 175.900 -0.005 0.000 1.122 252 Y CA 0.540 58.639 58.100 -0.002 0.000 1.173 252 Y CB 0.189 38.641 38.460 -0.013 0.000 1.077 252 Y HN 0.005 nan 8.280 nan 0.000 0.542 253 L N 0.586 121.991 121.223 0.303 0.000 2.217 253 L HA -0.110 4.230 4.340 0.001 0.000 0.211 253 L C 2.466 179.359 176.870 0.039 0.000 1.107 253 L CA 1.101 56.016 54.840 0.126 0.000 0.783 253 L CB -0.669 41.477 42.059 0.145 0.000 0.919 253 L HN 0.238 nan 8.230 nan 0.000 0.442 254 Q N -0.143 119.697 119.800 0.067 0.000 2.181 254 Q HA -0.234 4.106 4.340 0.001 0.000 0.205 254 Q C 2.124 178.141 176.000 0.028 0.000 0.980 254 Q CA 1.675 57.519 55.803 0.068 0.000 0.862 254 Q CB 0.074 28.856 28.738 0.074 0.000 0.905 254 Q HN 0.554 nan 8.270 nan 0.000 0.429 255 Q N -0.273 119.509 119.800 -0.029 0.000 1.775 255 Q HA -0.102 4.238 4.340 0.001 0.000 0.303 255 Q C 1.545 177.477 176.000 -0.114 0.000 0.954 255 Q CA 0.765 56.520 55.803 -0.080 0.000 0.883 255 Q CB -0.040 28.615 28.738 -0.139 0.000 0.916 255 Q HN 0.236 nan 8.270 nan 0.000 0.427 256 E N 0.389 120.437 120.200 -0.253 0.000 2.477 256 E HA -0.209 4.142 4.350 0.001 0.000 0.210 256 E C 1.320 177.861 176.600 -0.097 0.000 1.099 256 E CA 1.709 57.959 56.400 -0.250 0.000 0.899 256 E CB -0.450 28.956 29.700 -0.490 0.000 0.833 256 E HN 0.556 nan 8.360 nan 0.000 0.576 257 T N -3.614 110.930 114.554 -0.016 0.000 3.058 257 T HA 0.261 4.612 4.350 0.001 0.000 0.278 257 T C 0.334 175.115 174.700 0.135 0.000 0.974 257 T CA -0.384 61.776 62.100 0.101 0.000 0.893 257 T CB 0.277 69.240 68.868 0.160 0.000 1.138 257 T HN 0.077 nan 8.240 nan 0.000 0.529 258 R N 1.014 121.546 120.500 0.052 0.000 3.251 258 R HA -0.069 4.272 4.340 0.001 0.000 0.249 258 R C -0.036 176.295 176.300 0.052 0.000 0.949 258 R CA 0.542 56.655 56.100 0.022 0.000 0.645 258 R CB -2.640 27.645 30.300 -0.026 0.000 1.065 258 R HN 0.672 nan 8.270 nan 0.000 0.452 259 A N 0.168 123.078 122.820 0.150 0.000 2.324 259 A HA 0.596 4.916 4.320 0.001 0.000 0.330 259 A C 1.305 178.987 177.584 0.163 0.000 1.165 259 A CA -0.218 51.974 52.037 0.259 0.000 0.813 259 A CB 1.096 20.339 19.000 0.405 0.000 1.197 259 A HN 0.335 nan 8.150 nan 0.000 0.484 260 S N 1.952 117.748 115.700 0.161 0.000 2.368 260 S HA 0.018 4.489 4.470 0.001 0.000 0.225 260 S C 0.948 175.632 174.600 0.139 0.000 1.030 260 S CA 0.772 59.045 58.200 0.122 0.000 0.999 260 S CB -0.087 63.178 63.200 0.109 0.000 0.844 260 S HN 0.700 nan 8.310 nan 0.000 0.459 261 R N -1.208 119.416 120.500 0.206 0.000 2.739 261 R HA 0.650 4.991 4.340 0.001 0.000 0.271 261 R C -1.844 174.628 176.300 0.287 0.000 1.010 261 R CA -0.544 55.685 56.100 0.214 0.000 0.897 261 R CB 1.930 32.344 30.300 0.191 0.000 1.236 261 R HN 0.241 nan 8.270 nan 0.000 0.466 262 C N 0.971 120.413 119.300 0.237 0.000 2.797 262 C HA 0.765 5.226 4.460 0.001 0.000 0.306 262 C C -0.620 174.507 174.990 0.229 0.000 1.207 262 C CA -0.512 58.634 59.018 0.213 0.000 1.507 262 C CB 1.223 29.039 27.740 0.127 0.000 2.028 262 C HN 0.972 nan 8.230 nan 0.000 0.475 263 C N 2.807 122.252 119.300 0.242 0.000 3.284 263 C HA 0.789 5.250 4.460 0.001 0.000 0.338 263 C C -1.744 173.352 174.990 0.178 0.000 1.237 263 C CA -0.825 58.325 59.018 0.220 0.000 1.276 263 C CB -0.161 27.741 27.740 0.269 0.000 1.601 263 C HN 0.884 nan 8.230 nan 0.000 0.494 264 L N 2.073 123.378 121.223 0.135 0.000 2.317 264 L HA 0.696 5.037 4.340 0.001 0.000 0.281 264 L C -0.561 176.342 176.870 0.056 0.000 1.024 264 L CA -0.653 54.238 54.840 0.086 0.000 0.810 264 L CB 1.644 43.736 42.059 0.056 0.000 1.240 264 L HN 0.688 nan 8.230 nan 0.000 0.427 265 L N 5.096 126.335 121.223 0.027 0.000 2.294 265 L HA 0.440 4.780 4.340 0.001 0.000 0.283 265 L C -0.905 175.921 176.870 -0.073 0.000 1.015 265 L CA -0.689 54.142 54.840 -0.015 0.000 0.831 265 L CB 1.069 43.143 42.059 0.026 0.000 1.217 265 L HN 0.393 nan 8.230 nan 0.000 0.420 266 L N 3.756 124.921 121.223 -0.097 0.000 2.278 266 L HA 0.341 4.681 4.340 0.001 0.000 0.287 266 L C 0.307 177.104 176.870 -0.121 0.000 1.072 266 L CA -0.458 54.317 54.840 -0.109 0.000 0.819 266 L CB 0.713 42.713 42.059 -0.097 0.000 1.176 266 L HN 0.210 nan 8.230 nan 0.000 0.435 267 V N 2.772 122.620 119.914 -0.109 0.000 2.599 267 V HA 0.021 4.141 4.120 0.001 0.000 0.300 267 V C 1.016 177.053 176.094 -0.095 0.000 1.034 267 V CA 0.047 62.288 62.300 -0.099 0.000 1.115 267 V CB 0.970 32.744 31.823 -0.081 0.000 0.934 267 V HN 1.027 nan 8.190 nan 0.000 0.485 268 S N 4.023 119.665 115.700 -0.095 0.000 2.573 268 S HA 0.107 4.578 4.470 0.001 0.000 0.277 268 S C 1.041 175.597 174.600 -0.073 0.000 1.346 268 S CA -0.238 57.910 58.200 -0.088 0.000 1.034 268 S CB 0.730 63.878 63.200 -0.087 0.000 0.879 268 S HN 0.770 nan 8.310 nan 0.000 0.528 269 E N 1.441 121.598 120.200 -0.072 0.000 2.086 269 E HA -0.219 4.132 4.350 0.001 0.000 0.200 269 E C 1.037 177.606 176.600 -0.053 0.000 1.012 269 E CA 1.902 58.264 56.400 -0.063 0.000 0.812 269 E CB -0.281 29.380 29.700 -0.066 0.000 0.743 269 E HN 0.879 nan 8.360 nan 0.000 0.453 270 D N 0.222 120.591 120.400 -0.052 0.000 2.338 270 D HA -0.076 4.565 4.640 0.001 0.000 0.239 270 D C -0.095 176.182 176.300 -0.038 0.000 1.095 270 D CA 0.115 54.090 54.000 -0.042 0.000 0.888 270 D CB -0.582 40.194 40.800 -0.040 0.000 0.899 270 D HN 0.160 nan 8.370 nan 0.000 0.525 271 N N 0.496 119.169 118.700 -0.045 0.000 2.701 271 N HA -0.205 4.536 4.740 0.001 0.000 0.250 271 N C 0.375 175.865 175.510 -0.034 0.000 1.046 271 N CA 0.702 53.727 53.050 -0.042 0.000 0.733 271 N CB -1.187 37.279 38.487 -0.035 0.000 0.973 271 N HN 0.462 nan 8.380 nan 0.000 0.541 272 L N -3.928 117.272 121.223 -0.038 0.000 3.184 272 L HA 0.453 4.793 4.340 0.001 0.000 0.283 272 L C 0.080 176.929 176.870 -0.036 0.000 1.218 272 L CA -0.048 54.776 54.840 -0.027 0.000 1.028 272 L CB 0.669 42.716 42.059 -0.019 0.000 1.400 272 L HN 0.011 nan 8.230 nan 0.000 0.591 273 Q N 1.290 121.051 119.800 -0.065 0.000 2.403 273 Q HA 0.484 4.825 4.340 0.001 0.000 0.267 273 Q C -1.751 174.143 176.000 -0.178 0.000 0.991 273 Q CA -0.412 55.328 55.803 -0.105 0.000 0.906 273 Q CB 3.274 31.956 28.738 -0.094 0.000 1.422 273 Q HN 0.193 nan 8.270 nan 0.000 0.400 274 L N 2.121 123.159 121.223 -0.310 0.000 2.312 274 L HA 0.574 4.915 4.340 0.001 0.000 0.281 274 L C -0.121 176.420 176.870 -0.549 0.000 1.070 274 L CA -0.304 54.282 54.840 -0.425 0.000 0.805 274 L CB 1.474 43.224 42.059 -0.515 0.000 1.174 274 L HN 0.604 nan 8.230 nan 0.000 0.434 275 S N 1.482 116.984 115.700 -0.330 0.000 2.542 275 S HA 0.552 5.023 4.470 0.001 0.000 0.293 275 S C -0.942 173.575 174.600 -0.139 0.000 1.089 275 S CA -0.734 57.322 58.200 -0.239 0.000 0.961 275 S CB 2.259 65.368 63.200 -0.151 0.000 1.062 275 S HN 0.677 nan 8.310 nan 0.000 0.483 276 C N 3.178 122.437 119.300 -0.069 0.000 2.505 276 C HA 0.583 5.044 4.460 0.001 0.000 0.342 276 C C 0.504 175.507 174.990 0.022 0.000 1.121 276 C CA -0.658 58.363 59.018 0.004 0.000 1.306 276 C CB 0.229 28.010 27.740 0.069 0.000 1.897 276 C HN 1.150 nan 8.230 nan 0.000 0.446 277 K N 3.737 124.148 120.400 0.018 0.000 2.387 277 K HA 0.447 4.768 4.320 0.001 0.000 0.203 277 K C -0.394 176.225 176.600 0.032 0.000 1.030 277 K CA -0.054 56.246 56.287 0.021 0.000 1.099 277 K CB 0.705 33.210 32.500 0.008 0.000 0.863 277 K HN 0.346 nan 8.250 nan 0.000 0.529 278 V N 2.438 122.379 119.914 0.045 0.000 2.610 278 V HA 0.376 4.497 4.120 0.001 0.000 0.298 278 V C -1.369 174.769 176.094 0.075 0.000 1.067 278 V CA -0.644 61.688 62.300 0.053 0.000 0.894 278 V CB 1.851 33.705 31.823 0.051 0.000 1.015 278 V HN 0.196 nan 8.190 nan 0.000 0.432 279 I N 4.764 125.377 120.570 0.071 0.000 2.411 279 I HA 0.685 4.856 4.170 0.001 0.000 0.284 279 I C 1.021 177.186 176.117 0.081 0.000 1.012 279 I CA 0.340 61.692 61.300 0.086 0.000 1.119 279 I CB 1.495 39.531 38.000 0.061 0.000 1.261 279 I HN 0.848 nan 8.210 nan 0.000 0.448 280 G N 5.860 114.723 108.800 0.105 0.000 2.557 280 G HA2 -0.325 3.636 3.960 0.001 0.000 0.292 280 G HA3 -0.325 3.636 3.960 0.001 0.000 0.292 280 G C 0.442 175.388 174.900 0.077 0.000 1.162 280 G CA 0.564 45.722 45.100 0.097 0.000 0.964 280 G HN 0.797 nan 8.290 nan 0.000 0.541 281 D N 0.692 121.128 120.400 0.061 0.000 2.440 281 D HA 0.191 4.832 4.640 0.001 0.000 0.216 281 D C 0.573 176.896 176.300 0.040 0.000 1.150 281 D CA 0.226 54.255 54.000 0.049 0.000 0.832 281 D CB 0.279 41.106 40.800 0.045 0.000 0.992 281 D HN 0.436 nan 8.370 nan 0.000 0.502 282 K N 1.268 121.693 120.400 0.041 0.000 2.293 282 K HA 0.306 4.627 4.320 0.001 0.000 0.267 282 K C -1.023 175.597 176.600 0.034 0.000 1.010 282 K CA -0.651 55.656 56.287 0.033 0.000 0.875 282 K CB 2.133 34.651 32.500 0.030 0.000 1.106 282 K HN -0.147 nan 8.250 nan 0.000 0.450 283 V N 6.968 126.899 119.914 0.028 0.000 2.356 283 V HA 0.116 4.237 4.120 0.001 0.000 0.258 283 V C 0.461 176.569 176.094 0.024 0.000 1.065 283 V CA -0.531 61.785 62.300 0.027 0.000 0.935 283 V CB 0.298 32.134 31.823 0.021 0.000 1.061 283 V HN 0.643 nan 8.190 nan 0.000 0.484 284 L N 4.549 125.788 121.223 0.027 0.000 2.578 284 L HA 0.112 4.453 4.340 0.001 0.000 0.279 284 L C 1.874 178.757 176.870 0.021 0.000 1.227 284 L CA 0.522 55.377 54.840 0.025 0.000 0.900 284 L CB -0.079 41.998 42.059 0.031 0.000 1.144 284 L HN 0.697 nan 8.230 nan 0.000 0.496 285 G N 2.405 111.216 108.800 0.019 0.000 2.448 285 G HA2 -0.108 3.853 3.960 0.001 0.000 0.219 285 G HA3 -0.108 3.853 3.960 0.001 0.000 0.219 285 G C 0.574 175.485 174.900 0.018 0.000 1.127 285 G CA 0.455 45.565 45.100 0.017 0.000 0.766 285 G HN 0.647 nan 8.290 nan 0.000 0.552 286 E N 0.292 120.505 120.200 0.022 0.000 2.265 286 E HA 0.161 4.511 4.350 0.001 0.000 0.262 286 E C -0.934 175.683 176.600 0.028 0.000 0.889 286 E CA -0.461 55.953 56.400 0.025 0.000 0.789 286 E CB 1.588 31.304 29.700 0.028 0.000 1.221 286 E HN 0.224 nan 8.360 nan 0.000 0.414 287 E N 2.311 122.525 120.200 0.022 0.000 2.558 287 E HA 0.029 4.380 4.350 0.001 0.000 0.255 287 E C -0.376 176.243 176.600 0.032 0.000 0.968 287 E CA 0.234 56.645 56.400 0.018 0.000 0.939 287 E CB 0.751 30.451 29.700 0.001 0.000 0.921 287 E HN 0.139 nan 8.360 nan 0.000 0.477 288 V N 3.469 123.412 119.914 0.048 0.000 2.743 288 V HA 0.336 4.457 4.120 0.001 0.000 0.301 288 V C 0.140 176.269 176.094 0.059 0.000 1.057 288 V CA -0.230 62.126 62.300 0.094 0.000 1.006 288 V CB 1.680 33.591 31.823 0.147 0.000 1.024 288 V HN 0.825 nan 8.190 nan 0.000 0.473 289 S N 2.432 118.199 115.700 0.112 0.000 2.588 289 S HA 0.923 5.394 4.470 0.001 0.000 0.269 289 S C -1.082 173.595 174.600 0.128 0.000 1.157 289 S CA -0.870 57.289 58.200 -0.068 0.000 0.824 289 S CB 2.070 65.225 63.200 -0.075 0.000 1.126 289 S HN 1.069 nan 8.310 nan 0.000 0.464 290 F N -2.717 117.242 119.950 0.016 0.000 2.725 290 F HA 0.647 5.174 4.527 0.001 0.000 0.311 290 F C -3.259 172.550 175.800 0.015 0.000 1.121 290 F CA -1.682 56.329 58.000 0.019 0.000 0.978 290 F CB 0.226 39.240 39.000 0.022 0.000 1.274 290 F HN 0.471 nan 8.300 nan 0.000 0.440 291 P HA -0.124 nan 4.420 nan 0.000 0.263 291 P C -0.157 177.221 177.300 0.130 0.000 1.168 291 P CA 0.039 63.208 63.100 0.114 0.000 0.759 291 P CB 1.169 32.940 31.700 0.118 0.000 0.782 292 L N 3.930 125.183 121.223 0.050 0.000 2.382 292 L HA 0.011 4.352 4.340 0.001 0.000 0.259 292 L C 1.703 178.613 176.870 0.068 0.000 1.291 292 L CA 0.034 54.901 54.840 0.046 0.000 1.176 292 L CB -0.738 41.322 42.059 0.001 0.000 1.373 292 L HN 0.641 nan 8.230 nan 0.000 0.426 293 T N 0.391 115.010 114.554 0.109 0.000 4.813 293 T HA -0.131 4.220 4.350 0.001 0.000 0.481 293 T C 1.228 175.962 174.700 0.057 0.000 0.947 293 T CA 0.756 62.908 62.100 0.086 0.000 1.088 293 T CB -0.090 68.837 68.868 0.099 0.000 1.180 293 T HN 0.551 nan 8.240 nan 0.000 0.417 294 G N -1.943 106.887 108.800 0.051 0.000 2.881 294 G HA2 0.090 4.050 3.960 0.001 0.000 0.198 294 G HA3 0.090 4.050 3.960 0.001 0.000 0.198 294 G C 1.850 176.773 174.900 0.038 0.000 1.081 294 G CA 0.585 45.708 45.100 0.038 0.000 0.787 294 G HN 0.778 nan 8.290 nan 0.000 0.622 295 C N 0.341 119.666 119.300 0.042 0.000 2.467 295 C HA 0.361 4.822 4.460 0.001 0.000 0.279 295 C C 2.521 177.541 174.990 0.050 0.000 1.347 295 C CA 0.395 59.437 59.018 0.041 0.000 1.748 295 C CB -0.652 27.111 27.740 0.039 0.000 1.977 295 C HN 0.352 nan 8.230 nan 0.000 0.501 296 L N -0.253 121.010 121.223 0.067 0.000 2.529 296 L HA 0.160 4.501 4.340 0.001 0.000 0.223 296 L C 2.273 179.179 176.870 0.061 0.000 1.113 296 L CA 1.115 56.003 54.840 0.080 0.000 0.861 296 L CB -0.404 41.736 42.059 0.134 0.000 1.012 296 L HN 0.481 nan 8.230 nan 0.000 0.461 297 G N -1.635 107.196 108.800 0.051 0.000 3.042 297 G HA2 -0.090 3.871 3.960 0.001 0.000 0.212 297 G HA3 -0.090 3.871 3.960 0.001 0.000 0.212 297 G C 1.254 176.167 174.900 0.023 0.000 1.166 297 G CA -0.162 44.958 45.100 0.034 0.000 0.767 297 G HN 0.195 nan 8.290 nan 0.000 0.546 298 Q N 0.033 119.847 119.800 0.024 0.000 2.408 298 Q HA 0.088 4.429 4.340 0.001 0.000 0.205 298 Q C 2.502 178.510 176.000 0.014 0.000 0.919 298 Q CA 0.210 56.023 55.803 0.017 0.000 0.932 298 Q CB 0.579 29.328 28.738 0.019 0.000 1.058 298 Q HN 0.433 nan 8.270 nan 0.000 0.517 299 V N -0.043 119.880 119.914 0.016 0.000 2.283 299 V HA -0.197 3.924 4.120 0.001 0.000 0.243 299 V C 2.404 178.499 176.094 0.002 0.000 1.039 299 V CA 1.474 63.780 62.300 0.010 0.000 1.016 299 V CB -0.952 30.879 31.823 0.013 0.000 0.650 299 V HN 0.088 nan 8.190 nan 0.000 0.449 300 V N -0.149 119.765 119.914 -0.000 0.000 2.380 300 V HA -0.246 3.875 4.120 0.001 0.000 0.251 300 V C 2.561 178.650 176.094 -0.009 0.000 1.063 300 V CA 2.004 64.298 62.300 -0.010 0.000 1.055 300 V CB -0.850 30.966 31.823 -0.013 0.000 0.657 300 V HN 0.513 nan 8.190 nan 0.000 0.455 301 E N 1.542 121.741 120.200 -0.002 0.000 2.008 301 E HA -0.163 4.188 4.350 0.001 0.000 0.191 301 E C 1.763 178.362 176.600 -0.001 0.000 0.986 301 E CA 1.742 58.141 56.400 -0.001 0.000 0.807 301 E CB -0.479 29.222 29.700 0.003 0.000 0.766 301 E HN 0.925 nan 8.360 nan 0.000 0.450 302 D N 0.070 120.471 120.400 0.002 0.000 2.325 302 D HA 0.030 4.670 4.640 0.001 0.000 0.225 302 D C -0.255 176.046 176.300 0.003 0.000 1.096 302 D CA -0.072 53.930 54.000 0.003 0.000 0.844 302 D CB -0.311 40.492 40.800 0.006 0.000 0.925 302 D HN 0.032 nan 8.370 nan 0.000 0.513 303 K N -0.740 119.659 120.400 -0.000 0.000 3.012 303 K HA -0.312 4.009 4.320 0.001 0.000 0.259 303 K C -0.157 176.446 176.600 0.005 0.000 0.989 303 K CA 0.664 56.950 56.287 -0.001 0.000 0.728 303 K CB -1.515 30.984 32.500 -0.003 0.000 1.260 303 K HN 0.247 nan 8.250 nan 0.000 0.480 304 K N 1.414 121.818 120.400 0.007 0.000 2.182 304 K HA 0.260 4.581 4.320 0.001 0.000 0.262 304 K C -0.446 176.159 176.600 0.008 0.000 0.957 304 K CA -0.548 55.745 56.287 0.010 0.000 0.842 304 K CB 1.251 33.758 32.500 0.011 0.000 1.099 304 K HN 0.142 nan 8.250 nan 0.000 0.438 305 S N 3.925 119.631 115.700 0.009 0.000 2.565 305 S HA 0.517 4.988 4.470 0.001 0.000 0.274 305 S C 0.300 174.900 174.600 0.000 0.000 1.309 305 S CA -0.768 57.432 58.200 0.000 0.000 1.043 305 S CB 0.076 63.276 63.200 -0.001 0.000 0.939 305 S HN 0.601 nan 8.310 nan 0.000 0.504 306 I N -1.111 119.455 120.570 -0.007 0.000 3.294 306 I HA 0.706 4.877 4.170 0.001 0.000 0.311 306 I C -0.594 175.520 176.117 -0.004 0.000 1.111 306 I CA -1.027 60.275 61.300 0.004 0.000 0.976 306 I CB 1.350 39.359 38.000 0.015 0.000 1.260 306 I HN 0.578 nan 8.210 nan 0.000 0.474 307 Q N 0.202 120.014 119.800 0.019 0.000 2.495 307 Q HA 0.413 4.754 4.340 0.001 0.000 0.287 307 Q C 0.244 176.277 176.000 0.056 0.000 1.078 307 Q CA -0.922 54.902 55.803 0.035 0.000 0.793 307 Q CB 2.844 31.616 28.738 0.057 0.000 1.459 307 Q HN 0.810 nan 8.270 nan 0.000 0.422 308 L N 2.136 123.408 121.223 0.081 0.000 2.085 308 L HA -0.296 4.045 4.340 0.001 0.000 0.218 308 L C 2.129 179.039 176.870 0.067 0.000 1.080 308 L CA 2.049 56.943 54.840 0.090 0.000 0.776 308 L CB -0.128 42.000 42.059 0.115 0.000 0.891 308 L HN 0.588 nan 8.230 nan 0.000 0.437 309 K N -1.271 119.165 120.400 0.060 0.000 2.574 309 K HA -0.097 4.224 4.320 0.001 0.000 0.193 309 K C 0.583 177.206 176.600 0.039 0.000 1.035 309 K CA 1.276 57.591 56.287 0.046 0.000 0.982 309 K CB -0.550 31.976 32.500 0.043 0.000 0.795 309 K HN 0.477 nan 8.250 nan 0.000 0.491 310 D N 0.392 120.816 120.400 0.041 0.000 2.398 310 D HA 0.118 4.759 4.640 0.001 0.000 0.210 310 D C 0.019 176.340 176.300 0.036 0.000 1.094 310 D CA -0.146 53.875 54.000 0.034 0.000 0.839 310 D CB 0.429 41.248 40.800 0.032 0.000 0.963 310 D HN 0.094 nan 8.370 nan 0.000 0.506 311 L N 1.201 122.449 121.223 0.041 0.000 2.360 311 L HA 0.202 4.543 4.340 0.001 0.000 0.271 311 L C 0.860 177.750 176.870 0.033 0.000 1.057 311 L CA -0.239 54.626 54.840 0.042 0.000 0.803 311 L CB 1.646 43.738 42.059 0.054 0.000 1.207 311 L HN -0.124 nan 8.230 nan 0.000 0.445 312 T N -1.809 112.761 114.554 0.027 0.000 2.909 312 T HA 0.189 4.540 4.350 0.001 0.000 0.289 312 T C 1.187 175.896 174.700 0.015 0.000 1.005 312 T CA -0.167 61.945 62.100 0.020 0.000 1.084 312 T CB 1.143 70.021 68.868 0.017 0.000 0.975 312 T HN 0.656 nan 8.240 nan 0.000 0.509 313 S N 1.306 117.012 115.700 0.011 0.000 2.402 313 S HA -0.226 4.244 4.470 0.001 0.000 0.233 313 S C 1.704 176.302 174.600 -0.004 0.000 1.030 313 S CA 1.319 59.523 58.200 0.006 0.000 1.003 313 S CB -0.699 62.503 63.200 0.004 0.000 0.813 313 S HN 0.908 nan 8.310 nan 0.000 0.477 314 E N 1.745 121.942 120.200 -0.005 0.000 2.023 314 E HA -0.251 4.099 4.350 0.001 0.000 0.196 314 E C 1.436 178.020 176.600 -0.027 0.000 1.003 314 E CA 1.771 58.163 56.400 -0.014 0.000 0.809 314 E CB -0.282 29.415 29.700 -0.006 0.000 0.755 314 E HN 0.437 nan 8.360 nan 0.000 0.449 315 D N 0.150 120.542 120.400 -0.014 0.000 2.137 315 D HA -0.196 4.445 4.640 0.001 0.000 0.193 315 D C 2.084 178.367 176.300 -0.028 0.000 0.993 315 D CA 1.989 55.978 54.000 -0.018 0.000 0.846 315 D CB -0.625 40.186 40.800 0.017 0.000 0.990 315 D HN 0.069 nan 8.370 nan 0.000 0.448 316 V N 0.643 120.558 119.914 0.002 0.000 2.265 316 V HA -0.341 3.780 4.120 0.001 0.000 0.259 316 V C 2.471 178.550 176.094 -0.025 0.000 1.084 316 V CA 2.047 64.352 62.300 0.008 0.000 1.076 316 V CB -0.580 31.257 31.823 0.022 0.000 0.680 316 V HN 0.321 nan 8.190 nan 0.000 0.452 317 Q N -1.079 118.700 119.800 -0.035 0.000 2.181 317 Q HA -0.228 4.113 4.340 0.001 0.000 0.205 317 Q C 2.289 178.238 176.000 -0.085 0.000 0.980 317 Q CA 1.695 57.468 55.803 -0.050 0.000 0.862 317 Q CB -0.320 28.393 28.738 -0.041 0.000 0.905 317 Q HN 0.686 nan 8.270 nan 0.000 0.429 318 Q N 0.391 120.121 119.800 -0.115 0.000 2.016 318 Q HA -0.079 4.262 4.340 0.001 0.000 0.200 318 Q C 2.260 178.134 176.000 -0.209 0.000 0.978 318 Q CA 1.193 56.878 55.803 -0.196 0.000 0.833 318 Q CB -0.391 28.174 28.738 -0.289 0.000 0.895 318 Q HN 0.426 nan 8.270 nan 0.000 0.427 319 L N 0.206 121.330 121.223 -0.165 0.000 2.017 319 L HA -0.213 4.128 4.340 0.001 0.000 0.208 319 L C 2.704 179.451 176.870 -0.205 0.000 1.073 319 L CA 1.426 56.161 54.840 -0.174 0.000 0.745 319 L CB -0.506 41.499 42.059 -0.090 0.000 0.894 319 L HN 0.266 nan 8.230 nan 0.000 0.432 320 Q N -0.082 119.631 119.800 -0.144 0.000 2.045 320 Q HA -0.247 4.094 4.340 0.001 0.000 0.206 320 Q C 2.486 178.414 176.000 -0.119 0.000 0.991 320 Q CA 2.485 58.214 55.803 -0.125 0.000 0.851 320 Q CB -0.193 28.502 28.738 -0.071 0.000 0.911 320 Q HN 0.521 nan 8.270 nan 0.000 0.418 321 S N -0.433 115.203 115.700 -0.106 0.000 2.419 321 S HA -0.167 4.304 4.470 0.001 0.000 0.233 321 S C 1.815 176.359 174.600 -0.095 0.000 1.016 321 S CA 1.122 59.267 58.200 -0.091 0.000 0.974 321 S CB -0.161 62.987 63.200 -0.086 0.000 0.786 321 S HN 0.381 nan 8.310 nan 0.000 0.492 322 M N -0.117 119.408 119.600 -0.124 0.000 2.334 322 M HA 0.261 4.742 4.480 0.001 0.000 0.266 322 M C 1.790 178.039 176.300 -0.085 0.000 1.082 322 M CA 1.117 56.359 55.300 -0.095 0.000 1.141 322 M CB -0.201 32.336 32.600 -0.105 0.000 1.380 322 M HN 0.486 nan 8.290 nan 0.000 0.440 323 L N -0.574 120.562 121.223 -0.144 0.000 2.470 323 L HA 0.274 4.615 4.340 0.001 0.000 0.219 323 L C 0.623 177.430 176.870 -0.104 0.000 1.071 323 L CA 0.657 55.405 54.840 -0.153 0.000 0.850 323 L CB 0.367 42.240 42.059 -0.311 0.000 1.040 323 L HN 0.527 nan 8.230 nan 0.000 0.475 324 G N 0.652 109.393 108.800 -0.098 0.000 2.401 324 G HA2 -0.240 3.721 3.960 0.001 0.000 0.283 324 G HA3 -0.240 3.721 3.960 0.001 0.000 0.283 324 G C -0.182 174.685 174.900 -0.054 0.000 1.117 324 G CA 0.135 45.197 45.100 -0.064 0.000 1.051 324 G HN 0.572 nan 8.290 nan 0.000 0.510 325 C N -2.327 116.936 119.300 -0.062 0.000 3.260 325 C HA 0.847 5.308 4.460 0.001 0.000 0.366 325 C C 0.079 175.049 174.990 -0.034 0.000 1.537 325 C CA -1.133 57.861 59.018 -0.039 0.000 1.160 325 C CB 1.482 29.203 27.740 -0.032 0.000 1.760 325 C HN 0.572 nan 8.230 nan 0.000 0.432 326 E N 0.011 120.204 120.200 -0.011 0.000 2.374 326 E HA 0.612 4.963 4.350 0.001 0.000 0.260 326 E C -1.431 175.181 176.600 0.019 0.000 1.101 326 E CA -0.057 56.344 56.400 0.002 0.000 0.907 326 E CB 1.213 30.920 29.700 0.012 0.000 1.014 326 E HN 0.572 nan 8.360 nan 0.000 0.427 327 L N 3.676 124.919 121.223 0.034 0.000 2.415 327 L HA 0.139 4.479 4.340 0.001 0.000 0.268 327 L C 0.884 177.805 176.870 0.085 0.000 0.984 327 L CA -0.064 54.823 54.840 0.079 0.000 0.853 327 L CB 1.354 43.459 42.059 0.077 0.000 1.215 327 L HN 0.387 nan 8.230 nan 0.000 0.419 328 Q N 2.268 122.127 119.800 0.099 0.000 2.442 328 Q HA 0.509 4.850 4.340 0.001 0.000 0.228 328 Q C 0.403 176.467 176.000 0.107 0.000 0.902 328 Q CA 0.419 56.268 55.803 0.076 0.000 0.933 328 Q CB 0.949 29.713 28.738 0.044 0.000 1.071 328 Q HN 0.495 nan 8.270 nan 0.000 0.562 329 A N 0.612 123.532 122.820 0.167 0.000 2.437 329 A HA 0.866 5.187 4.320 0.001 0.000 0.292 329 A C -0.892 176.908 177.584 0.361 0.000 1.173 329 A CA -0.629 51.559 52.037 0.252 0.000 0.785 329 A CB 2.298 21.422 19.000 0.206 0.000 1.351 329 A HN 0.203 nan 8.150 nan 0.000 0.431 330 M N 0.981 120.799 119.600 0.363 0.000 2.394 330 M HA 0.249 4.729 4.480 0.001 0.000 0.267 330 M C -2.651 173.527 176.300 -0.203 0.000 0.992 330 M CA -0.203 55.124 55.300 0.046 0.000 0.858 330 M CB 1.071 33.754 32.600 0.138 0.000 2.027 330 M HN 0.734 nan 8.290 nan 0.000 0.508 331 L N 4.808 125.657 121.223 -0.624 0.000 2.342 331 L HA 0.535 4.876 4.340 0.001 0.000 0.276 331 L C -1.236 175.388 176.870 -0.410 0.000 0.997 331 L CA -0.362 54.149 54.840 -0.548 0.000 0.838 331 L CB 1.442 42.970 42.059 -0.885 0.000 1.224 331 L HN 0.885 nan 8.230 nan 0.000 0.416 332 C N 5.754 124.920 119.300 -0.223 0.000 2.239 332 C HA 0.589 5.050 4.460 0.001 0.000 0.325 332 C C 0.010 174.953 174.990 -0.078 0.000 1.231 332 C CA -0.367 58.568 59.018 -0.138 0.000 1.652 332 C CB 0.365 28.066 27.740 -0.065 0.000 2.284 332 C HN 0.535 nan 8.230 nan 0.000 0.499 333 V N 9.306 129.189 119.914 -0.051 0.000 2.378 333 V HA 0.375 4.496 4.120 0.001 0.000 0.288 333 V C -2.165 173.944 176.094 0.024 0.000 1.016 333 V CA -1.511 60.791 62.300 0.004 0.000 0.840 333 V CB 1.617 33.460 31.823 0.033 0.000 0.994 333 V HN 0.726 nan 8.190 nan 0.000 0.431 334 P HA 0.123 nan 4.420 nan 0.000 0.271 334 P C -0.291 176.991 177.300 -0.030 0.000 1.233 334 P CA -0.013 63.077 63.100 -0.017 0.000 0.764 334 P CB 0.659 32.351 31.700 -0.013 0.000 0.825 335 V N 6.338 126.184 119.914 -0.114 0.000 2.370 335 V HA 0.106 4.227 4.120 0.001 0.000 0.257 335 V C 0.753 176.764 176.094 -0.138 0.000 1.064 335 V CA 0.035 62.213 62.300 -0.203 0.000 0.975 335 V CB -0.622 30.888 31.823 -0.521 0.000 1.067 335 V HN 0.411 nan 8.190 nan 0.000 0.485 336 I N 3.727 124.253 120.570 -0.073 0.000 2.342 336 I HA 0.225 4.396 4.170 0.001 0.000 0.291 336 I C 0.877 176.954 176.117 -0.068 0.000 1.010 336 I CA 0.039 61.304 61.300 -0.058 0.000 1.308 336 I CB 1.470 39.454 38.000 -0.026 0.000 1.400 336 I HN 0.512 nan 8.210 nan 0.000 0.488 337 S N 5.463 121.119 115.700 -0.074 0.000 2.537 337 S HA 0.081 4.552 4.470 0.001 0.000 0.286 337 S C 1.356 175.918 174.600 -0.063 0.000 1.299 337 S CA -0.327 57.828 58.200 -0.075 0.000 1.067 337 S CB 0.341 63.500 63.200 -0.069 0.000 0.864 337 S HN 0.495 nan 8.310 nan 0.000 0.494 338 R N 3.105 123.559 120.500 -0.078 0.000 2.307 338 R HA 0.016 4.357 4.340 0.001 0.000 0.199 338 R C 1.515 177.778 176.300 -0.061 0.000 1.000 338 R CA 0.959 57.011 56.100 -0.081 0.000 1.023 338 R CB -0.382 29.835 30.300 -0.139 0.000 0.908 338 R HN 0.668 nan 8.270 nan 0.000 0.473 339 A N 0.142 122.929 122.820 -0.055 0.000 2.050 339 A HA -0.046 4.275 4.320 0.001 0.000 0.214 339 A C 2.106 179.669 177.584 -0.036 0.000 1.577 339 A CA 0.877 52.888 52.037 -0.043 0.000 0.752 339 A CB -0.786 18.188 19.000 -0.042 0.000 1.220 339 A HN 0.253 nan 8.150 nan 0.000 0.543 340 T N -1.746 112.785 114.554 -0.039 0.000 2.788 340 T HA -0.100 4.251 4.350 0.001 0.000 0.268 340 T C 0.568 175.248 174.700 -0.032 0.000 1.044 340 T CA 1.881 63.960 62.100 -0.035 0.000 1.139 340 T CB -0.495 68.349 68.868 -0.039 0.000 0.867 340 T HN 0.579 nan 8.240 nan 0.000 0.454 341 D N 0.941 121.319 120.400 -0.037 0.000 2.778 341 D HA -0.116 4.525 4.640 0.001 0.000 0.246 341 D C -0.869 175.412 176.300 -0.031 0.000 1.107 341 D CA 0.555 54.536 54.000 -0.032 0.000 0.732 341 D CB -1.208 39.578 40.800 -0.024 0.000 1.055 341 D HN 0.783 nan 8.370 nan 0.000 0.429 342 Q N -0.661 119.114 119.800 -0.040 0.000 2.353 342 Q HA 0.400 4.740 4.340 0.001 0.000 0.275 342 Q C -0.457 175.511 176.000 -0.053 0.000 1.029 342 Q CA -1.150 54.629 55.803 -0.040 0.000 0.848 342 Q CB 1.839 30.553 28.738 -0.039 0.000 1.390 342 Q HN 0.035 nan 8.270 nan 0.000 0.401 343 V N 2.444 122.329 119.914 -0.049 0.000 2.506 343 V HA -0.089 4.032 4.120 0.001 0.000 0.296 343 V C 0.900 176.948 176.094 -0.078 0.000 1.004 343 V CA 0.759 63.022 62.300 -0.062 0.000 1.150 343 V CB 0.201 31.996 31.823 -0.046 0.000 0.911 343 V HN 0.727 nan 8.190 nan 0.000 0.476 344 V N 4.031 123.880 119.914 -0.108 0.000 3.379 344 V HA 0.483 4.604 4.120 0.001 0.000 0.249 344 V C 0.788 176.798 176.094 -0.140 0.000 1.184 344 V CA 1.232 63.460 62.300 -0.120 0.000 1.106 344 V CB 0.544 32.285 31.823 -0.137 0.000 0.826 344 V HN 0.974 nan 8.190 nan 0.000 0.465 345 A N -0.546 122.174 122.820 -0.167 0.000 2.610 345 A HA 0.745 5.066 4.320 0.001 0.000 0.291 345 A C -1.713 175.788 177.584 -0.138 0.000 1.086 345 A CA -0.391 51.544 52.037 -0.169 0.000 0.677 345 A CB 1.406 20.256 19.000 -0.250 0.000 1.278 345 A HN 0.057 nan 8.150 nan 0.000 0.414 346 L N 1.494 122.664 121.223 -0.087 0.000 2.316 346 L HA 0.584 4.924 4.340 0.001 0.000 0.280 346 L C 0.376 177.238 176.870 -0.012 0.000 1.006 346 L CA -0.619 54.198 54.840 -0.039 0.000 0.836 346 L CB 1.514 43.572 42.059 -0.001 0.000 1.221 346 L HN 0.933 nan 8.230 nan 0.000 0.418 347 A N 3.557 126.385 122.820 0.013 0.000 2.350 347 A HA 0.406 4.727 4.320 0.001 0.000 0.293 347 A C -0.219 177.341 177.584 -0.041 0.000 1.231 347 A CA -0.232 51.856 52.037 0.086 0.000 0.883 347 A CB -0.137 19.042 19.000 0.299 0.000 1.133 347 A HN 0.750 nan 8.150 nan 0.000 0.533 348 C N 2.954 122.203 119.300 -0.086 0.000 2.303 348 C HA 0.746 5.207 4.460 0.001 0.000 0.326 348 C C 0.836 175.474 174.990 -0.586 0.000 1.285 348 C CA -0.479 58.311 59.018 -0.380 0.000 1.675 348 C CB 0.195 27.746 27.740 -0.315 0.000 2.289 348 C HN 0.956 nan 8.230 nan 0.000 0.512 349 A N 3.421 125.756 122.820 -0.810 0.000 2.318 349 A HA 0.920 5.241 4.320 0.001 0.000 0.324 349 A C -0.904 176.203 177.584 -0.796 0.000 1.170 349 A CA -0.220 51.411 52.037 -0.676 0.000 0.810 349 A CB 0.425 18.947 19.000 -0.797 0.000 1.198 349 A HN 0.685 nan 8.150 nan 0.000 0.484 350 F N 0.407 120.442 119.950 0.141 0.000 2.594 350 F HA 0.431 4.959 4.527 0.001 0.000 0.335 350 F C 0.579 176.595 175.800 0.360 0.000 1.058 350 F CA -1.091 57.046 58.000 0.228 0.000 0.981 350 F CB 0.694 39.770 39.000 0.126 0.000 1.289 350 F HN 0.555 nan 8.300 nan 0.000 0.490 351 N N 1.604 120.575 118.700 0.452 0.000 2.834 351 N HA -0.261 4.480 4.740 0.001 0.000 0.306 351 N C -0.366 175.193 175.510 0.081 0.000 1.120 351 N CA 0.397 53.579 53.050 0.219 0.000 0.783 351 N CB -0.462 38.121 38.487 0.161 0.000 0.997 351 N HN 0.552 nan 8.380 nan 0.000 0.590 352 K N 1.947 122.210 120.400 -0.228 0.000 2.466 352 K HA -0.028 4.292 4.320 0.001 0.000 0.278 352 K C 0.523 176.992 176.600 -0.220 0.000 1.048 352 K CA -0.264 55.693 56.287 -0.550 0.000 1.088 352 K CB 0.229 32.121 32.500 -1.014 0.000 0.884 352 K HN 0.477 nan 8.250 nan 0.000 0.478 353 L N 5.941 127.093 121.223 -0.118 0.000 2.827 353 L HA -0.078 4.263 4.340 0.001 0.000 0.280 353 L C -0.561 176.260 176.870 -0.082 0.000 1.122 353 L CA 0.355 55.160 54.840 -0.058 0.000 1.044 353 L CB -0.408 41.635 42.059 -0.026 0.000 1.402 353 L HN 0.842 nan 8.230 nan 0.000 0.467 354 E N 3.638 123.796 120.200 -0.070 0.000 7.725 354 E HA -0.223 4.127 4.350 0.001 0.000 0.465 354 E C 0.554 177.101 176.600 -0.088 0.000 0.555 354 E CA 1.496 57.856 56.400 -0.066 0.000 0.980 354 E CB -0.565 29.109 29.700 -0.043 0.000 0.969 354 E HN 1.106 nan 8.360 nan 0.000 0.357 355 G N 2.968 111.722 108.800 -0.076 0.000 2.353 355 G HA2 -0.309 3.652 3.960 0.001 0.000 0.294 355 G HA3 -0.309 3.652 3.960 0.001 0.000 0.294 355 G C -0.118 174.710 174.900 -0.120 0.000 1.077 355 G CA 0.474 45.527 45.100 -0.079 0.000 1.098 355 G HN 0.613 nan 8.290 nan 0.000 0.511 356 D N -0.244 120.085 120.400 -0.118 0.000 2.668 356 D HA 0.254 4.895 4.640 0.001 0.000 0.285 356 D C 0.662 176.866 176.300 -0.160 0.000 1.492 356 D CA 0.979 54.883 54.000 -0.160 0.000 1.237 356 D CB -0.068 40.680 40.800 -0.088 0.000 1.153 356 D HN 0.423 nan 8.370 nan 0.000 0.571 357 L N 3.748 124.820 121.223 -0.252 0.000 2.666 357 L HA 0.246 4.587 4.340 0.001 0.000 0.258 357 L C -0.979 175.796 176.870 -0.158 0.000 0.991 357 L CA -0.551 54.197 54.840 -0.153 0.000 0.916 357 L CB 0.833 42.845 42.059 -0.077 0.000 1.199 357 L HN 0.223 nan 8.230 nan 0.000 0.439 358 F N 1.674 121.625 119.950 0.003 0.000 2.413 358 F HA 0.243 4.770 4.527 0.001 0.000 0.359 358 F C 1.417 177.219 175.800 0.004 0.000 1.122 358 F CA -0.192 57.808 58.000 -0.001 0.000 1.160 358 F CB 1.379 40.374 39.000 -0.008 0.000 1.146 358 F HN 0.379 nan 8.300 nan 0.000 0.514 359 T N 0.108 114.786 114.554 0.207 0.000 2.754 359 T HA -0.017 4.334 4.350 0.001 0.000 0.286 359 T C 1.087 175.849 174.700 0.104 0.000 0.997 359 T CA -0.617 61.554 62.100 0.119 0.000 0.982 359 T CB 1.005 69.921 68.868 0.080 0.000 1.027 359 T HN 0.603 nan 8.240 nan 0.000 0.529 360 D N -0.488 119.956 120.400 0.074 0.000 2.363 360 D HA -0.018 4.622 4.640 0.001 0.000 0.220 360 D C 1.564 177.914 176.300 0.083 0.000 0.994 360 D CA 0.734 54.772 54.000 0.064 0.000 0.890 360 D CB 0.230 41.054 40.800 0.040 0.000 0.906 360 D HN 0.858 nan 8.370 nan 0.000 0.530 361 E N -0.573 119.685 120.200 0.097 0.000 2.473 361 E HA -0.015 4.336 4.350 0.001 0.000 0.204 361 E C 1.242 177.931 176.600 0.149 0.000 0.994 361 E CA 0.101 56.588 56.400 0.145 0.000 0.945 361 E CB 0.216 29.979 29.700 0.105 0.000 0.990 361 E HN -0.187 nan 8.360 nan 0.000 0.493 362 D N 1.315 121.788 120.400 0.121 0.000 2.183 362 D HA -0.169 4.472 4.640 0.001 0.000 0.203 362 D C 1.685 178.029 176.300 0.073 0.000 0.969 362 D CA 1.324 55.394 54.000 0.116 0.000 0.842 362 D CB 0.083 41.009 40.800 0.209 0.000 0.957 362 D HN 0.586 nan 8.370 nan 0.000 0.484 363 E N -0.889 119.358 120.200 0.079 0.000 2.285 363 E HA -0.198 4.152 4.350 0.001 0.000 0.194 363 E C 1.838 178.511 176.600 0.122 0.000 0.997 363 E CA 0.799 57.235 56.400 0.060 0.000 0.845 363 E CB -0.113 29.618 29.700 0.051 0.000 0.782 363 E HN 0.280 nan 8.360 nan 0.000 0.491 364 H N 0.579 119.682 119.070 0.056 0.000 2.343 364 H HA -0.037 4.520 4.556 0.002 0.000 0.303 364 H C 2.091 177.487 175.328 0.113 0.000 1.068 364 H CA 1.832 57.928 56.048 0.080 0.000 1.359 364 H CB -0.470 29.344 29.762 0.087 0.000 1.402 364 H HN 0.118 nan 8.280 nan 0.000 0.515 365 V N 0.443 120.271 119.914 -0.144 0.000 2.380 365 V HA -0.210 3.911 4.120 0.001 0.000 0.251 365 V C 2.316 178.398 176.094 -0.021 0.000 1.063 365 V CA 2.098 64.307 62.300 -0.151 0.000 1.055 365 V CB -0.715 31.084 31.823 -0.041 0.000 0.657 365 V HN 0.524 nan 8.190 nan 0.000 0.455 366 I N -0.518 120.047 120.570 -0.010 0.000 2.090 366 I HA -0.287 3.884 4.170 0.001 0.000 0.236 366 I C 2.619 178.721 176.117 -0.025 0.000 1.064 366 I CA 2.162 63.442 61.300 -0.033 0.000 1.324 366 I CB -0.385 37.620 38.000 0.008 0.000 1.044 366 I HN 0.365 nan 8.210 nan 0.000 0.399 367 Q N 0.096 119.938 119.800 0.071 0.000 1.906 367 Q HA -0.363 3.978 4.340 0.001 0.000 0.221 367 Q C 2.200 178.242 176.000 0.071 0.000 1.021 367 Q CA 2.553 58.429 55.803 0.121 0.000 0.880 367 Q CB -0.641 28.192 28.738 0.157 0.000 0.966 367 Q HN 0.450 nan 8.270 nan 0.000 0.418 368 H N -0.393 118.616 119.070 -0.101 0.000 2.322 368 H HA -0.334 4.222 4.556 0.001 0.000 0.282 368 H C 2.247 177.507 175.328 -0.112 0.000 1.130 368 H CA 1.972 57.907 56.048 -0.188 0.000 1.160 368 H CB -0.649 28.925 29.762 -0.315 0.000 1.352 368 H HN 0.589 nan 8.280 nan 0.000 0.469 369 C N 0.423 119.676 119.300 -0.079 0.000 2.388 369 C HA -0.217 4.244 4.460 0.001 0.000 0.277 369 C C 2.818 177.649 174.990 -0.264 0.000 1.210 369 C CA 1.426 60.299 59.018 -0.242 0.000 1.743 369 C CB -1.832 25.665 27.740 -0.405 0.000 2.047 369 C HN 0.565 nan 8.230 nan 0.000 0.458 370 F N 0.667 120.588 119.950 -0.050 0.000 2.069 370 F HA -0.061 4.468 4.527 0.002 0.000 0.298 370 F C 2.304 178.044 175.800 -0.101 0.000 1.113 370 F CA 2.153 60.115 58.000 -0.063 0.000 1.214 370 F CB -1.786 37.186 39.000 -0.046 0.000 0.978 370 F HN 0.486 nan 8.300 nan 0.000 0.474 371 H N -1.799 117.225 119.070 -0.077 0.000 2.486 371 H HA -0.307 4.250 4.556 0.001 0.000 0.289 371 H C 1.511 176.610 175.328 -0.382 0.000 1.129 371 H CA 2.566 58.432 56.048 -0.302 0.000 1.166 371 H CB -0.196 29.247 29.762 -0.532 0.000 1.346 371 H HN 0.312 nan 8.280 nan 0.000 0.509 372 Y N -2.836 117.436 120.300 -0.047 0.000 2.594 372 Y HA 0.136 4.687 4.550 0.002 0.000 0.283 372 Y C 2.862 178.721 175.900 -0.068 0.000 1.140 372 Y CA 0.875 58.922 58.100 -0.088 0.000 1.261 372 Y CB -0.510 37.895 38.460 -0.093 0.000 1.358 372 Y HN 0.094 nan 8.280 nan 0.000 0.513 373 T N -0.434 114.191 114.554 0.118 0.000 2.904 373 T HA -0.143 4.207 4.350 0.001 0.000 0.267 373 T C 2.236 177.022 174.700 0.143 0.000 1.059 373 T CA 1.564 63.715 62.100 0.084 0.000 1.137 373 T CB -0.369 68.495 68.868 -0.007 0.000 0.879 373 T HN 0.427 nan 8.240 nan 0.000 0.467 374 S N 0.079 115.898 115.700 0.197 0.000 2.368 374 S HA -0.141 4.330 4.470 0.001 0.000 0.225 374 S C 2.162 176.762 174.600 0.000 0.000 1.030 374 S CA 2.131 60.393 58.200 0.104 0.000 0.999 374 S CB -0.989 62.226 63.200 0.026 0.000 0.844 374 S HN 0.452 nan 8.310 nan 0.000 0.459 375 T N 1.700 116.246 114.554 -0.015 0.000 2.555 375 T HA -0.133 4.218 4.350 0.001 0.000 0.264 375 T C 1.791 176.481 174.700 -0.017 0.000 1.083 375 T CA 1.883 63.965 62.100 -0.031 0.000 1.179 375 T CB -1.050 67.796 68.868 -0.037 0.000 0.863 375 T HN 0.326 nan 8.240 nan 0.000 0.412 376 V N 1.428 121.339 119.914 -0.005 0.000 2.380 376 V HA -0.149 3.972 4.120 0.001 0.000 0.251 376 V C 2.349 178.441 176.094 -0.004 0.000 1.063 376 V CA 1.631 63.927 62.300 -0.005 0.000 1.055 376 V CB -0.587 31.235 31.823 -0.002 0.000 0.657 376 V HN 0.471 nan 8.190 nan 0.000 0.455 377 L N -0.574 120.653 121.223 0.006 0.000 1.970 377 L HA -0.215 4.126 4.340 0.001 0.000 0.212 377 L C 2.627 179.491 176.870 -0.011 0.000 1.071 377 L CA 2.771 57.615 54.840 0.006 0.000 0.751 377 L CB -1.004 41.070 42.059 0.025 0.000 0.889 377 L HN 0.358 nan 8.230 nan 0.000 0.432 378 T N -0.803 113.733 114.554 -0.030 0.000 2.803 378 T HA -0.154 4.197 4.350 0.001 0.000 0.269 378 T C 1.977 176.669 174.700 -0.013 0.000 1.052 378 T CA 1.616 63.692 62.100 -0.039 0.000 1.136 378 T CB -0.101 68.731 68.868 -0.060 0.000 0.864 378 T HN 0.596 nan 8.240 nan 0.000 0.467 379 S N 0.827 116.525 115.700 -0.003 0.000 2.414 379 S HA -0.089 4.382 4.470 0.001 0.000 0.227 379 S C 2.151 176.785 174.600 0.056 0.000 1.022 379 S CA 1.356 59.567 58.200 0.018 0.000 0.958 379 S CB -0.729 62.474 63.200 0.004 0.000 0.797 379 S HN 0.577 nan 8.310 nan 0.000 0.493 380 T N 2.089 116.667 114.554 0.040 0.000 2.904 380 T HA 0.108 4.459 4.350 0.001 0.000 0.267 380 T C 1.669 176.445 174.700 0.127 0.000 1.059 380 T CA 0.830 62.972 62.100 0.070 0.000 1.137 380 T CB -0.504 68.376 68.868 0.020 0.000 0.879 380 T HN 0.237 nan 8.240 nan 0.000 0.467 381 L N 2.240 123.500 121.223 0.061 0.000 1.988 381 L HA 0.218 4.559 4.340 0.001 0.000 0.207 381 L C 2.808 179.701 176.870 0.039 0.000 1.071 381 L CA 1.927 56.788 54.840 0.035 0.000 0.744 381 L CB -1.696 40.359 42.059 -0.007 0.000 0.893 381 L HN 0.278 nan 8.230 nan 0.000 0.433 382 A N -0.470 122.370 122.820 0.034 0.000 1.884 382 A HA -0.358 3.963 4.320 0.001 0.000 0.219 382 A C 2.342 179.948 177.584 0.035 0.000 1.197 382 A CA 2.361 54.410 52.037 0.020 0.000 0.637 382 A CB -1.495 17.520 19.000 0.025 0.000 0.827 382 A HN 0.596 nan 8.150 nan 0.000 0.450 383 F N 0.840 120.770 119.950 -0.032 0.000 2.120 383 F HA -0.270 4.258 4.527 0.002 0.000 0.300 383 F C 2.381 178.164 175.800 -0.028 0.000 1.095 383 F CA 2.427 60.411 58.000 -0.026 0.000 1.249 383 F CB -0.472 38.515 39.000 -0.021 0.000 0.995 383 F HN 0.372 nan 8.300 nan 0.000 0.480 384 Q N 0.125 119.843 119.800 -0.137 0.000 2.224 384 Q HA -0.172 4.169 4.340 0.001 0.000 0.203 384 Q C 2.129 177.982 176.000 -0.244 0.000 0.970 384 Q CA 1.490 57.147 55.803 -0.244 0.000 0.865 384 Q CB -0.188 28.550 28.738 0.001 0.000 0.922 384 Q HN 0.515 nan 8.270 nan 0.000 0.445 385 K N 0.261 120.558 120.400 -0.173 0.000 2.155 385 K HA -0.084 4.237 4.320 0.001 0.000 0.203 385 K C 1.819 178.308 176.600 -0.184 0.000 1.052 385 K CA 0.666 56.861 56.287 -0.154 0.000 0.948 385 K CB 0.227 32.660 32.500 -0.112 0.000 0.728 385 K HN 0.099 nan 8.250 nan 0.000 0.448 386 E N 0.858 120.927 120.200 -0.218 0.000 2.152 386 E HA -0.188 4.163 4.350 0.001 0.000 0.192 386 E C 1.938 178.388 176.600 -0.249 0.000 0.983 386 E CA 0.956 57.237 56.400 -0.200 0.000 0.818 386 E CB 0.089 29.693 29.700 -0.159 0.000 0.758 386 E HN 0.371 nan 8.360 nan 0.000 0.467 387 Q N 0.941 120.498 119.800 -0.405 0.000 2.123 387 Q HA -0.093 4.247 4.340 0.001 0.000 0.199 387 Q C 2.165 178.035 176.000 -0.217 0.000 0.966 387 Q CA 1.136 56.716 55.803 -0.372 0.000 0.845 387 Q CB 0.163 28.538 28.738 -0.606 0.000 0.907 387 Q HN -0.015 nan 8.270 nan 0.000 0.439 388 K N 0.175 120.453 120.400 -0.203 0.000 2.057 388 K HA -0.090 4.231 4.320 0.001 0.000 0.206 388 K C 2.072 178.599 176.600 -0.122 0.000 1.050 388 K CA 0.994 57.197 56.287 -0.140 0.000 0.935 388 K CB -0.064 32.354 32.500 -0.137 0.000 0.715 388 K HN 0.310 nan 8.250 nan 0.000 0.439 389 L N 1.107 122.250 121.223 -0.134 0.000 2.056 389 L HA -0.192 4.149 4.340 0.001 0.000 0.207 389 L C 2.712 179.535 176.870 -0.078 0.000 1.078 389 L CA 1.371 56.146 54.840 -0.109 0.000 0.749 389 L CB -0.524 41.470 42.059 -0.109 0.000 0.901 389 L HN 0.277 nan 8.230 nan 0.000 0.433 390 K N 0.515 120.864 120.400 -0.086 0.000 2.057 390 K HA -0.199 4.122 4.320 0.001 0.000 0.207 390 K C 1.959 178.530 176.600 -0.048 0.000 1.049 390 K CA 2.048 58.297 56.287 -0.063 0.000 0.931 390 K CB -0.167 32.292 32.500 -0.068 0.000 0.714 390 K HN 0.424 nan 8.250 nan 0.000 0.440 391 C N 1.592 120.860 119.300 -0.054 0.000 2.576 391 C HA 0.173 4.634 4.460 0.001 0.000 0.267 391 C C 1.622 176.597 174.990 -0.024 0.000 1.364 391 C CA -0.252 58.745 59.018 -0.036 0.000 1.723 391 C CB -0.850 26.868 27.740 -0.036 0.000 1.778 391 C HN 0.470 nan 8.230 nan 0.000 0.572 392 E N -0.435 119.751 120.200 -0.024 0.000 2.447 392 E HA -0.015 4.336 4.350 0.001 0.000 0.195 392 E C 1.632 178.236 176.600 0.006 0.000 1.028 392 E CA 0.382 56.785 56.400 0.004 0.000 0.876 392 E CB 0.085 29.787 29.700 0.005 0.000 0.885 392 E HN 0.684 nan 8.360 nan 0.000 0.500 393 C N 0.652 119.946 119.300 -0.010 0.000 2.568 393 C HA 0.002 4.463 4.460 0.001 0.000 0.284 393 C C 2.553 177.531 174.990 -0.020 0.000 1.338 393 C CA 0.276 59.289 59.018 -0.007 0.000 1.724 393 C CB -0.374 27.360 27.740 -0.009 0.000 2.131 393 C HN 0.420 nan 8.230 nan 0.000 0.513 394 Q N 1.150 120.937 119.800 -0.023 0.000 2.197 394 Q HA -0.206 4.135 4.340 0.001 0.000 0.207 394 Q C 2.294 178.273 176.000 -0.035 0.000 0.984 394 Q CA 1.908 57.695 55.803 -0.027 0.000 0.869 394 Q CB -0.313 28.412 28.738 -0.022 0.000 0.906 394 Q HN 0.743 nan 8.270 nan 0.000 0.426 395 A N 1.202 124.004 122.820 -0.029 0.000 1.841 395 A HA -0.213 4.108 4.320 0.001 0.000 0.216 395 A C 2.048 179.599 177.584 -0.055 0.000 1.199 395 A CA 1.283 53.300 52.037 -0.034 0.000 0.621 395 A CB -0.993 17.995 19.000 -0.021 0.000 0.835 395 A HN 0.370 nan 8.150 nan 0.000 0.445 396 L N -0.821 120.369 121.223 -0.054 0.000 2.051 396 L HA -0.217 4.124 4.340 0.001 0.000 0.214 396 L C 2.548 179.303 176.870 -0.192 0.000 1.076 396 L CA 1.151 55.929 54.840 -0.103 0.000 0.758 396 L CB -0.397 41.624 42.059 -0.064 0.000 0.890 396 L HN 0.343 nan 8.230 nan 0.000 0.433 397 L N -0.736 120.407 121.223 -0.133 0.000 2.042 397 L HA -0.252 4.089 4.340 0.001 0.000 0.210 397 L C 2.653 179.445 176.870 -0.130 0.000 1.076 397 L CA 1.683 56.443 54.840 -0.134 0.000 0.749 397 L CB -1.397 40.624 42.059 -0.063 0.000 0.893 397 L HN 0.370 nan 8.230 nan 0.000 0.432 398 Q N -0.594 119.153 119.800 -0.089 0.000 2.084 398 Q HA -0.125 4.216 4.340 0.001 0.000 0.202 398 Q C 2.374 178.327 176.000 -0.078 0.000 0.978 398 Q CA 1.265 57.029 55.803 -0.064 0.000 0.844 398 Q CB -0.350 28.365 28.738 -0.038 0.000 0.898 398 Q HN 0.333 nan 8.270 nan 0.000 0.426 399 V N 0.904 120.764 119.914 -0.091 0.000 2.261 399 V HA -0.276 3.845 4.120 0.001 0.000 0.246 399 V C 2.420 178.395 176.094 -0.198 0.000 1.047 399 V CA 1.806 64.071 62.300 -0.057 0.000 1.015 399 V CB -1.246 30.602 31.823 0.042 0.000 0.642 399 V HN 0.364 nan 8.190 nan 0.000 0.446 400 A N 0.578 123.152 122.820 -0.410 0.000 1.903 400 A HA -0.352 3.969 4.320 0.001 0.000 0.219 400 A C 2.330 179.607 177.584 -0.512 0.000 1.191 400 A CA 2.756 54.340 52.037 -0.755 0.000 0.638 400 A CB -0.607 17.880 19.000 -0.856 0.000 0.823 400 A HN 0.654 nan 8.150 nan 0.000 0.451 401 K N -0.862 119.407 120.400 -0.218 0.000 2.057 401 K HA -0.160 4.161 4.320 0.001 0.000 0.206 401 K C 1.632 178.206 176.600 -0.042 0.000 1.050 401 K CA 1.531 57.783 56.287 -0.057 0.000 0.935 401 K CB -0.290 32.198 32.500 -0.020 0.000 0.715 401 K HN 0.373 nan 8.250 nan 0.000 0.439 402 N N 1.179 119.851 118.700 -0.046 0.000 2.149 402 N HA -0.135 4.605 4.740 0.001 0.000 0.188 402 N C 1.804 177.372 175.510 0.097 0.000 1.019 402 N CA 1.187 54.255 53.050 0.031 0.000 0.857 402 N CB -0.146 38.377 38.487 0.059 0.000 0.997 402 N HN 0.249 nan 8.380 nan 0.000 0.426 403 L N -0.561 120.665 121.223 0.006 0.000 2.044 403 L HA -0.038 4.302 4.340 0.001 0.000 0.205 403 L C 1.394 178.352 176.870 0.147 0.000 1.075 403 L CA 0.905 55.770 54.840 0.042 0.000 0.747 403 L CB -0.563 41.398 42.059 -0.162 0.000 0.903 403 L HN 0.049 nan 8.230 nan 0.000 0.435 404 F N 0.599 120.550 119.950 0.001 0.000 2.773 404 F HA -0.055 4.473 4.527 0.001 0.000 0.299 404 F C 1.793 177.537 175.800 -0.094 0.000 1.204 404 F CA 0.542 58.528 58.000 -0.024 0.000 1.454 404 F CB -1.185 37.807 39.000 -0.013 0.000 1.117 404 F HN 0.134 nan 8.300 nan 0.000 0.590 405 T N -4.163 110.383 114.554 -0.013 0.000 3.374 405 T HA 0.296 4.647 4.350 0.001 0.000 0.267 405 T C -0.071 174.239 174.700 -0.649 0.000 0.996 405 T CA -0.162 61.780 62.100 -0.264 0.000 0.977 405 T CB -0.832 67.880 68.868 -0.260 0.000 1.149 405 T HN 0.389 nan 8.240 nan 0.000 0.517 406 H N 0.131 119.224 119.070 0.039 0.000 3.377 406 H HA 0.298 4.855 4.556 0.001 0.000 0.243 406 H C 0.595 175.919 175.328 -0.006 0.000 1.264 406 H CA -0.437 55.615 56.048 0.007 0.000 1.021 406 H CB 0.185 29.952 29.762 0.009 0.000 2.781 406 H HN 0.256 nan 8.280 nan 0.000 0.643 407 L N 0.248 121.492 121.223 0.034 0.000 2.660 407 L HA 0.094 4.435 4.340 0.001 0.000 0.238 407 L C 0.660 177.413 176.870 -0.195 0.000 1.161 407 L CA 0.226 55.050 54.840 -0.026 0.000 0.937 407 L CB -0.120 41.950 42.059 0.019 0.000 1.122 407 L HN 0.305 nan 8.230 nan 0.000 0.435 408 D N 0.021 120.346 120.400 -0.126 0.000 2.297 408 D HA -0.030 4.611 4.640 0.001 0.000 0.233 408 D C 0.256 176.605 176.300 0.081 0.000 1.056 408 D CA 0.556 54.517 54.000 -0.065 0.000 0.938 408 D CB -0.186 40.627 40.800 0.023 0.000 1.048 408 D HN 0.130 nan 8.370 nan 0.000 0.442 409 D N 0.084 120.521 120.400 0.062 0.000 2.313 409 D HA 0.179 4.820 4.640 0.001 0.000 0.239 409 D C 1.070 177.388 176.300 0.031 0.000 1.142 409 D CA -0.238 53.789 54.000 0.045 0.000 0.847 409 D CB 1.615 42.425 40.800 0.018 0.000 1.082 409 D HN -0.144 nan 8.370 nan 0.000 0.480 410 V N 1.069 121.004 119.914 0.034 0.000 3.488 410 V HA -0.065 4.056 4.120 0.001 0.000 0.273 410 V C 1.384 177.488 176.094 0.018 0.000 1.209 410 V CA 0.773 63.089 62.300 0.028 0.000 1.179 410 V CB -0.503 31.336 31.823 0.027 0.000 0.842 410 V HN 0.342 nan 8.190 nan 0.000 0.515 411 S N -0.304 115.400 115.700 0.006 0.000 2.468 411 S HA 0.108 4.579 4.470 0.001 0.000 0.226 411 S C 1.807 176.357 174.600 -0.083 0.000 1.051 411 S CA 0.884 59.084 58.200 0.000 0.000 0.943 411 S CB 0.611 63.818 63.200 0.011 0.000 0.810 411 S HN 0.445 nan 8.310 nan 0.000 0.509 412 V N 2.334 122.178 119.914 -0.117 0.000 2.379 412 V HA -0.024 4.097 4.120 0.001 0.000 0.243 412 V C 2.229 178.198 176.094 -0.208 0.000 1.035 412 V CA 1.315 63.491 62.300 -0.206 0.000 1.035 412 V CB -0.472 31.208 31.823 -0.239 0.000 0.673 412 V HN 0.445 nan 8.190 nan 0.000 0.457 413 L N -0.150 121.017 121.223 -0.093 0.000 2.046 413 L HA -0.124 4.217 4.340 0.001 0.000 0.208 413 L C 2.128 178.989 176.870 -0.015 0.000 1.077 413 L CA 1.991 56.827 54.840 -0.006 0.000 0.747 413 L CB -0.803 41.308 42.059 0.086 0.000 0.896 413 L HN 0.197 nan 8.230 nan 0.000 0.432 414 L N -0.575 120.638 121.223 -0.016 0.000 2.265 414 L HA -0.174 4.167 4.340 0.001 0.000 0.215 414 L C 2.588 179.448 176.870 -0.017 0.000 1.117 414 L CA 1.633 56.466 54.840 -0.010 0.000 0.782 414 L CB -0.604 41.451 42.059 -0.008 0.000 0.914 414 L HN 0.512 nan 8.230 nan 0.000 0.441 415 Q N -1.270 118.504 119.800 -0.043 0.000 2.089 415 Q HA -0.135 4.206 4.340 0.001 0.000 0.195 415 Q C 2.105 178.093 176.000 -0.021 0.000 0.963 415 Q CA 0.892 56.669 55.803 -0.043 0.000 0.834 415 Q CB 0.077 28.762 28.738 -0.088 0.000 0.906 415 Q HN 0.256 nan 8.270 nan 0.000 0.452 416 E N 0.568 120.742 120.200 -0.042 0.000 2.086 416 E HA -0.243 4.108 4.350 0.001 0.000 0.200 416 E C 1.939 178.598 176.600 0.100 0.000 1.012 416 E CA 1.227 57.631 56.400 0.006 0.000 0.812 416 E CB -0.371 29.328 29.700 -0.001 0.000 0.743 416 E HN 0.431 nan 8.360 nan 0.000 0.453 417 I N 0.606 121.241 120.570 0.108 0.000 2.248 417 I HA -0.290 3.881 4.170 0.001 0.000 0.248 417 I C 2.319 178.597 176.117 0.268 0.000 1.107 417 I CA 0.845 62.276 61.300 0.218 0.000 1.373 417 I CB -0.097 37.963 38.000 0.099 0.000 1.055 417 I HN 0.096 nan 8.210 nan 0.000 0.418 418 I N -0.441 120.203 120.570 0.123 0.000 2.141 418 I HA -0.265 3.906 4.170 0.001 0.000 0.236 418 I C 2.512 178.665 176.117 0.060 0.000 1.071 418 I CA 1.567 62.914 61.300 0.078 0.000 1.345 418 I CB -0.836 37.176 38.000 0.019 0.000 1.066 418 I HN 0.174 nan 8.210 nan 0.000 0.406 419 T N 0.526 115.103 114.554 0.038 0.000 2.624 419 T HA -0.220 4.131 4.350 0.001 0.000 0.268 419 T C 1.836 176.543 174.700 0.012 0.000 1.041 419 T CA 1.570 63.681 62.100 0.018 0.000 1.159 419 T CB -0.253 68.620 68.868 0.008 0.000 0.863 419 T HN 0.248 nan 8.240 nan 0.000 0.434 420 E N 1.002 121.229 120.200 0.045 0.000 2.023 420 E HA -0.063 4.288 4.350 0.001 0.000 0.196 420 E C 2.572 179.063 176.600 -0.182 0.000 1.003 420 E CA 1.425 57.830 56.400 0.008 0.000 0.809 420 E CB -0.832 28.983 29.700 0.192 0.000 0.755 420 E HN 0.495 nan 8.360 nan 0.000 0.449 421 A N 0.930 123.645 122.820 -0.175 0.000 1.978 421 A HA -0.204 4.117 4.320 0.001 0.000 0.220 421 A C 2.200 179.665 177.584 -0.198 0.000 1.170 421 A CA 1.829 53.601 52.037 -0.442 0.000 0.636 421 A CB -0.472 18.558 19.000 0.050 0.000 0.810 421 A HN 0.145 nan 8.150 nan 0.000 0.448 422 R N -0.491 119.968 120.500 -0.069 0.000 2.148 422 R HA -0.071 4.270 4.340 0.001 0.000 0.223 422 R C 1.401 177.680 176.300 -0.035 0.000 1.088 422 R CA 1.396 57.485 56.100 -0.019 0.000 0.985 422 R CB -0.117 30.191 30.300 0.013 0.000 0.880 422 R HN 0.515 nan 8.270 nan 0.000 0.451 423 N N 0.160 118.818 118.700 -0.070 0.000 2.290 423 N HA -0.068 4.673 4.740 0.001 0.000 0.179 423 N C 1.611 177.060 175.510 -0.101 0.000 1.016 423 N CA 0.688 53.701 53.050 -0.062 0.000 0.871 423 N CB -0.097 38.356 38.487 -0.057 0.000 0.987 423 N HN 0.129 nan 8.380 nan 0.000 0.431 424 L N 0.924 122.032 121.223 -0.191 0.000 2.012 424 L HA -0.178 4.163 4.340 0.001 0.000 0.210 424 L C 2.312 179.061 176.870 -0.201 0.000 1.073 424 L CA 1.643 56.335 54.840 -0.246 0.000 0.748 424 L CB -0.362 41.416 42.059 -0.468 0.000 0.891 424 L HN 0.258 nan 8.230 nan 0.000 0.431 425 S N -2.191 113.408 115.700 -0.169 0.000 2.486 425 S HA -0.027 4.444 4.470 0.001 0.000 0.220 425 S C 0.948 175.548 174.600 -0.001 0.000 1.011 425 S CA 0.184 58.324 58.200 -0.101 0.000 0.921 425 S CB -0.010 63.167 63.200 -0.038 0.000 0.785 425 S HN 0.527 nan 8.310 nan 0.000 0.517 426 N N 1.181 119.884 118.700 0.006 0.000 2.932 426 N HA -0.100 4.640 4.740 0.001 0.000 0.247 426 N C -0.243 175.322 175.510 0.092 0.000 1.101 426 N CA 0.634 53.705 53.050 0.034 0.000 0.672 426 N CB -1.431 37.069 38.487 0.021 0.000 0.985 426 N HN 0.720 nan 8.380 nan 0.000 0.561 427 A N 0.144 123.038 122.820 0.122 0.000 2.264 427 A HA 0.397 4.718 4.320 0.001 0.000 0.304 427 A C 1.193 178.861 177.584 0.141 0.000 1.100 427 A CA -0.135 52.016 52.037 0.190 0.000 0.839 427 A CB 0.741 19.872 19.000 0.219 0.000 1.121 427 A HN 0.439 nan 8.150 nan 0.000 0.496 428 E N -0.752 119.553 120.200 0.176 0.000 2.158 428 E HA 0.045 4.396 4.350 0.001 0.000 0.191 428 E C 0.324 177.010 176.600 0.143 0.000 0.982 428 E CA 0.986 57.490 56.400 0.173 0.000 0.823 428 E CB 0.015 29.876 29.700 0.268 0.000 0.766 428 E HN 0.640 nan 8.360 nan 0.000 0.468 429 I N -3.162 117.489 120.570 0.134 0.000 2.841 429 I HA 0.424 4.594 4.170 0.001 0.000 0.298 429 I C -1.367 174.787 176.117 0.062 0.000 1.304 429 I CA -1.093 60.245 61.300 0.063 0.000 1.019 429 I CB 1.716 39.704 38.000 -0.019 0.000 1.282 429 I HN -0.128 nan 8.210 nan 0.000 0.432 430 C N 3.913 123.231 119.300 0.030 0.000 2.563 430 C HA 0.851 5.312 4.460 0.001 0.000 0.314 430 C C 0.063 175.041 174.990 -0.019 0.000 1.199 430 C CA 0.094 59.126 59.018 0.024 0.000 1.564 430 C CB 1.456 29.220 27.740 0.039 0.000 2.173 430 C HN 0.981 nan 8.230 nan 0.000 0.485 431 S N 4.648 120.330 115.700 -0.031 0.000 2.557 431 S HA 0.810 5.280 4.470 0.001 0.000 0.291 431 S C -0.991 173.498 174.600 -0.184 0.000 1.116 431 S CA -0.515 57.605 58.200 -0.132 0.000 0.992 431 S CB 1.221 64.376 63.200 -0.074 0.000 1.028 431 S HN 1.212 nan 8.310 nan 0.000 0.484 432 V N 1.636 121.347 119.914 -0.337 0.000 2.513 432 V HA 0.774 4.895 4.120 0.001 0.000 0.299 432 V C -1.057 174.724 176.094 -0.521 0.000 1.035 432 V CA -0.842 61.300 62.300 -0.265 0.000 0.889 432 V CB 0.449 32.191 31.823 -0.135 0.000 0.988 432 V HN 0.831 nan 8.190 nan 0.000 0.440 433 F N 3.030 122.932 119.950 -0.080 0.000 2.540 433 F HA 0.709 5.237 4.527 0.001 0.000 0.317 433 F C -0.246 175.518 175.800 -0.061 0.000 1.104 433 F CA -0.659 57.299 58.000 -0.069 0.000 0.913 433 F CB 2.075 41.029 39.000 -0.077 0.000 1.170 433 F HN 0.312 nan 8.300 nan 0.000 0.450 434 L N 4.097 125.386 121.223 0.110 0.000 2.307 434 L HA 0.383 4.724 4.340 0.001 0.000 0.284 434 L C -0.732 176.172 176.870 0.057 0.000 1.023 434 L CA -1.045 53.830 54.840 0.058 0.000 0.810 434 L CB 1.494 43.565 42.059 0.020 0.000 1.231 434 L HN 0.420 nan 8.230 nan 0.000 0.423 435 L N 3.922 125.166 121.223 0.034 0.000 2.485 435 L HA 0.072 4.413 4.340 0.001 0.000 0.279 435 L C -0.212 176.662 176.870 0.007 0.000 1.124 435 L CA 0.460 55.309 54.840 0.015 0.000 0.888 435 L CB 0.160 42.220 42.059 0.002 0.000 1.217 435 L HN 0.608 nan 8.230 nan 0.000 0.464 436 D N 5.143 125.545 120.400 0.004 0.000 2.557 436 D HA 0.254 4.895 4.640 0.001 0.000 0.236 436 D C 0.731 177.025 176.300 -0.009 0.000 1.154 436 D CA -0.101 53.897 54.000 -0.004 0.000 0.985 436 D CB 0.507 41.303 40.800 -0.007 0.000 1.010 436 D HN 0.522 nan 8.370 nan 0.000 0.516 437 Q N 2.295 122.090 119.800 -0.009 0.000 2.444 437 Q HA -0.287 4.054 4.340 0.001 0.000 0.241 437 Q C -0.297 175.694 176.000 -0.015 0.000 2.647 437 Q CA 2.027 57.823 55.803 -0.011 0.000 0.676 437 Q CB -1.579 27.152 28.738 -0.012 0.000 1.430 437 Q HN 0.518 nan 8.270 nan 0.000 0.484 438 N N 1.375 120.065 118.700 -0.017 0.000 2.433 438 N HA 0.335 5.076 4.740 0.001 0.000 0.270 438 N C -1.609 173.885 175.510 -0.026 0.000 1.354 438 N CA 0.708 53.746 53.050 -0.021 0.000 0.889 438 N CB 0.485 38.961 38.487 -0.019 0.000 1.285 438 N HN 0.386 nan 8.380 nan 0.000 0.503 439 E N -0.526 119.659 120.200 -0.026 0.000 2.400 439 E HA 0.209 4.560 4.350 0.001 0.000 0.285 439 E C -1.437 175.149 176.600 -0.024 0.000 1.005 439 E CA -0.845 55.536 56.400 -0.033 0.000 0.816 439 E CB 0.721 30.403 29.700 -0.030 0.000 1.220 439 E HN -0.037 nan 8.360 nan 0.000 0.426 440 L N 1.920 123.121 121.223 -0.038 0.000 2.326 440 L HA 0.565 4.905 4.340 0.001 0.000 0.278 440 L C -0.360 176.563 176.870 0.088 0.000 1.092 440 L CA -1.019 53.824 54.840 0.004 0.000 0.810 440 L CB 1.059 43.043 42.059 -0.125 0.000 1.153 440 L HN 0.413 nan 8.230 nan 0.000 0.439 441 V N 1.385 121.389 119.914 0.149 0.000 2.715 441 V HA 0.873 4.993 4.120 0.001 0.000 0.310 441 V C -0.093 176.066 176.094 0.109 0.000 1.054 441 V CA -0.700 61.661 62.300 0.102 0.000 0.928 441 V CB 1.671 33.505 31.823 0.019 0.000 1.007 441 V HN 0.857 nan 8.190 nan 0.000 0.437 442 A N 2.855 125.662 122.820 -0.022 0.000 2.547 442 A HA 0.637 4.958 4.320 0.001 0.000 0.279 442 A C -0.715 176.752 177.584 -0.196 0.000 1.088 442 A CA -0.685 51.220 52.037 -0.220 0.000 0.796 442 A CB 1.045 19.712 19.000 -0.555 0.000 1.308 442 A HN 0.834 nan 8.150 nan 0.000 0.415 443 K N 2.004 122.313 120.400 -0.152 0.000 2.249 443 K HA 0.535 4.856 4.320 0.001 0.000 0.280 443 K C -0.242 176.294 176.600 -0.107 0.000 1.033 443 K CA -0.222 55.983 56.287 -0.137 0.000 0.946 443 K CB 0.925 33.364 32.500 -0.102 0.000 1.005 443 K HN 0.430 nan 8.250 nan 0.000 0.469 444 V N 5.817 125.651 119.914 -0.134 0.000 2.775 444 V HA 0.301 4.422 4.120 0.001 0.000 0.299 444 V C 0.159 176.153 176.094 -0.166 0.000 1.062 444 V CA 0.447 62.703 62.300 -0.073 0.000 1.063 444 V CB 0.379 32.230 31.823 0.047 0.000 0.994 444 V HN 0.890 nan 8.190 nan 0.000 0.483 445 F N 0.197 120.145 119.950 -0.004 0.000 2.249 445 F HA 0.210 4.738 4.527 0.001 0.000 0.244 445 F C 0.851 176.640 175.800 -0.019 0.000 1.302 445 F CA 0.086 58.077 58.000 -0.015 0.000 1.105 445 F CB 0.445 39.428 39.000 -0.028 0.000 2.136 445 F HN 0.497 nan 8.300 nan 0.000 0.144 446 D N -0.557 120.009 120.400 0.276 0.000 2.202 446 D HA -0.094 4.547 4.640 0.001 0.000 0.165 446 D C 0.115 176.417 176.300 0.002 0.000 1.170 446 D CA 1.813 55.857 54.000 0.075 0.000 1.110 446 D CB -1.029 39.813 40.800 0.070 0.000 1.160 446 D HN 1.152 nan 8.370 nan 0.000 0.496 447 G N -1.541 107.320 108.800 0.101 0.000 2.441 447 G HA2 0.208 4.169 3.960 0.001 0.000 0.139 447 G HA3 0.208 4.169 3.960 0.001 0.000 0.139 447 G C 0.797 175.806 174.900 0.182 0.000 1.067 447 G CA 0.443 45.533 45.100 -0.016 0.000 0.766 447 G HN 0.682 nan 8.290 nan 0.000 0.484 448 G N -0.877 108.161 108.800 0.396 0.000 2.404 448 G HA2 0.390 4.350 3.960 0.001 0.000 0.215 448 G HA3 0.390 4.350 3.960 0.001 0.000 0.215 448 G C 0.730 175.744 174.900 0.189 0.000 1.174 448 G CA 1.308 46.537 45.100 0.214 0.000 0.780 448 G HN 1.609 nan 8.290 nan 0.000 0.537 449 V N -0.582 119.529 119.914 0.328 0.000 3.047 449 V HA -0.077 4.043 4.120 0.001 0.000 0.363 449 V C -0.344 175.870 176.094 0.200 0.000 1.271 449 V CA -0.522 61.914 62.300 0.226 0.000 1.716 449 V CB -0.298 31.587 31.823 0.103 0.000 2.142 449 V HN 0.642 nan 8.190 nan 0.000 0.496 450 V N 0.121 120.210 119.914 0.291 0.000 2.096 450 V HA 0.431 4.552 4.120 0.001 0.000 0.259 450 V C 0.788 176.933 176.094 0.085 0.000 1.420 450 V CA 0.324 62.726 62.300 0.171 0.000 1.336 450 V CB 0.762 32.756 31.823 0.286 0.000 1.394 450 V HN 0.795 nan 8.190 nan 0.000 0.494 451 D N 1.666 122.097 120.400 0.051 0.000 2.146 451 D HA -0.007 4.634 4.640 0.001 0.000 0.209 451 D C 0.717 177.026 176.300 0.015 0.000 0.973 451 D CA 1.208 55.227 54.000 0.030 0.000 0.860 451 D CB 0.353 41.170 40.800 0.028 0.000 1.015 451 D HN 0.582 nan 8.370 nan 0.000 0.465 452 D N 1.109 121.515 120.400 0.009 0.000 2.434 452 D HA 0.096 4.736 4.640 0.001 0.000 0.275 452 D C -0.311 175.979 176.300 -0.017 0.000 1.172 452 D CA -0.213 53.786 54.000 -0.001 0.000 0.916 452 D CB 0.459 41.261 40.800 0.002 0.000 1.041 452 D HN -0.050 nan 8.370 nan 0.000 0.501 453 E N 0.195 120.380 120.200 -0.025 0.000 5.977 453 E HA -0.241 4.110 4.350 0.001 0.000 0.176 453 E C 0.107 176.639 176.600 -0.114 0.000 1.521 453 E CA 0.795 57.158 56.400 -0.062 0.000 2.647 453 E CB -0.764 28.902 29.700 -0.057 0.000 1.983 453 E HN 0.430 nan 8.360 nan 0.000 0.408 454 S N -0.584 115.006 115.700 -0.183 0.000 2.630 454 S HA 0.368 4.839 4.470 0.001 0.000 0.173 454 S C -0.987 173.552 174.600 -0.102 0.000 1.048 454 S CA -0.095 57.971 58.200 -0.223 0.000 1.172 454 S CB -0.136 62.743 63.200 -0.535 0.000 1.638 454 S HN 0.841 nan 8.310 nan 0.000 0.429 455 Y N 0.286 120.483 120.300 -0.173 0.000 2.594 455 Y HA -0.139 4.412 4.550 0.001 0.000 0.026 455 Y C -0.607 175.216 175.900 -0.128 0.000 1.795 455 Y CA 0.758 58.779 58.100 -0.132 0.000 1.356 455 Y CB -0.494 37.891 38.460 -0.125 0.000 2.007 455 Y HN 0.887 nan 8.280 nan 0.000 0.267 456 E N 6.943 126.828 120.200 -0.525 0.000 2.241 456 E HA 0.605 4.956 4.350 0.001 0.000 0.263 456 E C -1.273 175.013 176.600 -0.525 0.000 0.882 456 E CA -0.831 55.323 56.400 -0.410 0.000 0.769 456 E CB 0.778 30.349 29.700 -0.215 0.000 1.185 456 E HN 0.475 nan 8.360 nan 0.000 0.415 457 I N 4.206 124.535 120.570 -0.403 0.000 2.365 457 I HA 0.366 4.537 4.170 0.001 0.000 0.291 457 I C -0.115 175.955 176.117 -0.078 0.000 1.004 457 I CA -0.591 60.557 61.300 -0.253 0.000 1.311 457 I CB 1.104 39.040 38.000 -0.108 0.000 1.401 457 I HN 0.563 nan 8.210 nan 0.000 0.491 458 R N 6.067 126.525 120.500 -0.070 0.000 2.513 458 R HA 0.646 4.987 4.340 0.001 0.000 0.301 458 R C -0.854 175.422 176.300 -0.040 0.000 0.968 458 R CA -0.502 55.577 56.100 -0.035 0.000 0.872 458 R CB 2.137 32.409 30.300 -0.047 0.000 1.177 458 R HN 0.616 nan 8.270 nan 0.000 0.444 459 I N -0.750 119.787 120.570 -0.055 0.000 2.545 459 I HA 0.634 4.805 4.170 0.001 0.000 0.292 459 I C -2.523 173.544 176.117 -0.085 0.000 1.040 459 I CA -2.876 58.372 61.300 -0.087 0.000 1.068 459 I CB 1.980 39.889 38.000 -0.152 0.000 1.251 459 I HN 0.386 nan 8.210 nan 0.000 0.424 460 P HA -0.081 nan 4.420 nan 0.000 0.261 460 P C 0.730 177.988 177.300 -0.071 0.000 1.173 460 P CA 0.271 63.337 63.100 -0.057 0.000 0.760 460 P CB 0.830 32.502 31.700 -0.045 0.000 0.783 461 A N 3.687 126.471 122.820 -0.059 0.000 2.139 461 A HA -0.190 4.131 4.320 0.001 0.000 0.221 461 A C 1.084 178.629 177.584 -0.065 0.000 1.159 461 A CA 1.877 53.876 52.037 -0.064 0.000 0.662 461 A CB -0.854 18.118 19.000 -0.046 0.000 0.796 461 A HN 0.618 nan 8.150 nan 0.000 0.463 462 D N -1.220 119.149 120.400 -0.051 0.000 2.538 462 D HA 0.131 4.771 4.640 0.001 0.000 0.231 462 D C 0.379 176.664 176.300 -0.025 0.000 1.229 462 D CA -0.209 53.770 54.000 -0.036 0.000 0.828 462 D CB -0.736 40.050 40.800 -0.024 0.000 1.035 462 D HN 0.704 nan 8.370 nan 0.000 0.495 463 Q N 0.366 120.136 119.800 -0.050 0.000 2.235 463 Q HA 0.477 4.818 4.340 0.001 0.000 0.256 463 Q C 0.736 176.701 176.000 -0.058 0.000 0.951 463 Q CA -0.343 55.432 55.803 -0.047 0.000 0.890 463 Q CB 1.656 30.358 28.738 -0.060 0.000 1.279 463 Q HN 0.060 nan 8.270 nan 0.000 0.444 464 G N 1.885 110.664 108.800 -0.035 0.000 2.622 464 G HA2 -0.345 3.616 3.960 0.001 0.000 0.272 464 G HA3 -0.345 3.616 3.960 0.001 0.000 0.272 464 G C 0.562 175.450 174.900 -0.021 0.000 1.308 464 G CA 0.234 45.312 45.100 -0.037 0.000 0.919 464 G HN 0.835 nan 8.290 nan 0.000 0.565 465 I N 0.614 121.157 120.570 -0.045 0.000 2.069 465 I HA -0.250 3.921 4.170 0.001 0.000 0.237 465 I C 3.364 179.459 176.117 -0.036 0.000 1.053 465 I CA 2.650 63.922 61.300 -0.046 0.000 1.311 465 I CB -0.858 37.097 38.000 -0.075 0.000 1.030 465 I HN 0.763 nan 8.210 nan 0.000 0.398 466 A N 0.877 123.622 122.820 -0.125 0.000 1.892 466 A HA -0.214 4.107 4.320 0.001 0.000 0.218 466 A C 2.426 179.939 177.584 -0.119 0.000 1.188 466 A CA 2.251 54.184 52.037 -0.175 0.000 0.631 466 A CB -1.661 17.101 19.000 -0.397 0.000 0.822 466 A HN 0.533 nan 8.150 nan 0.000 0.447 467 G N -1.222 107.511 108.800 -0.112 0.000 2.476 467 G HA2 -0.344 3.617 3.960 0.001 0.000 0.218 467 G HA3 -0.344 3.617 3.960 0.001 0.000 0.218 467 G C 1.470 176.363 174.900 -0.012 0.000 1.164 467 G CA 1.641 46.700 45.100 -0.068 0.000 0.768 467 G HN 0.809 nan 8.290 nan 0.000 0.560 468 H N 0.179 119.219 119.070 -0.050 0.000 2.267 468 H HA -0.058 4.499 4.556 0.001 0.000 0.297 468 H C 2.624 177.940 175.328 -0.019 0.000 1.080 468 H CA 2.057 58.093 56.048 -0.020 0.000 1.278 468 H CB -0.399 29.365 29.762 0.004 0.000 1.365 468 H HN 0.079 nan 8.280 nan 0.000 0.489 469 V N 0.833 120.788 119.914 0.069 0.000 2.453 469 V HA -0.303 3.818 4.120 0.001 0.000 0.252 469 V C 2.674 178.735 176.094 -0.056 0.000 1.068 469 V CA 1.754 64.064 62.300 0.016 0.000 1.070 469 V CB -1.253 30.601 31.823 0.052 0.000 0.664 469 V HN 0.727 nan 8.190 nan 0.000 0.461 470 A N -1.168 121.613 122.820 -0.066 0.000 1.929 470 A HA -0.172 4.149 4.320 0.001 0.000 0.216 470 A C 2.404 179.941 177.584 -0.078 0.000 1.176 470 A CA 2.233 54.232 52.037 -0.063 0.000 0.628 470 A CB -0.714 18.246 19.000 -0.067 0.000 0.816 470 A HN 0.457 nan 8.150 nan 0.000 0.444 471 T N -0.546 113.941 114.554 -0.113 0.000 2.770 471 T HA -0.092 4.259 4.350 0.001 0.000 0.263 471 T C 2.174 176.782 174.700 -0.154 0.000 1.039 471 T CA 2.162 64.188 62.100 -0.124 0.000 1.142 471 T CB -0.333 68.459 68.868 -0.127 0.000 0.868 471 T HN 0.743 nan 8.240 nan 0.000 0.435 472 T N -0.835 113.565 114.554 -0.256 0.000 3.088 472 T HA 0.255 4.606 4.350 0.001 0.000 0.259 472 T C 1.683 176.319 174.700 -0.105 0.000 1.122 472 T CA 1.081 63.049 62.100 -0.221 0.000 1.095 472 T CB -0.475 68.169 68.868 -0.373 0.000 0.930 472 T HN 0.499 nan 8.240 nan 0.000 0.508 473 G N 1.264 110.018 108.800 -0.077 0.000 2.258 473 G HA2 -0.245 3.716 3.960 0.001 0.000 0.274 473 G HA3 -0.245 3.716 3.960 0.001 0.000 0.274 473 G C -0.324 174.580 174.900 0.007 0.000 1.021 473 G CA 0.568 45.654 45.100 -0.023 0.000 0.798 473 G HN 0.751 nan 8.290 nan 0.000 0.507 474 Q N -0.636 119.172 119.800 0.014 0.000 2.372 474 Q HA 0.621 4.961 4.340 0.001 0.000 0.273 474 Q C 0.791 176.842 176.000 0.084 0.000 1.078 474 Q CA -1.396 54.437 55.803 0.049 0.000 0.806 474 Q CB 1.829 30.594 28.738 0.047 0.000 1.332 474 Q HN 0.200 nan 8.270 nan 0.000 0.435 475 I N 1.103 121.730 120.570 0.095 0.000 3.332 475 I HA -0.032 4.139 4.170 0.001 0.000 0.280 475 I C 0.001 176.179 176.117 0.102 0.000 1.285 475 I CA 0.499 61.868 61.300 0.115 0.000 1.347 475 I CB -0.395 37.656 38.000 0.085 0.000 1.353 475 I HN 0.625 nan 8.210 nan 0.000 0.611 476 L N 3.398 124.673 121.223 0.086 0.000 2.528 476 L HA 0.368 4.709 4.340 0.001 0.000 0.267 476 L C -0.680 176.211 176.870 0.034 0.000 0.961 476 L CA -0.214 54.665 54.840 0.065 0.000 0.866 476 L CB 1.305 43.397 42.059 0.056 0.000 1.248 476 L HN 0.570 nan 8.230 nan 0.000 0.404 477 N N 4.584 123.321 118.700 0.062 0.000 2.399 477 N HA 0.610 5.350 4.740 0.001 0.000 0.295 477 N C -1.403 174.211 175.510 0.173 0.000 1.048 477 N CA -0.214 52.898 53.050 0.103 0.000 0.886 477 N CB 1.895 40.448 38.487 0.110 0.000 1.185 477 N HN 0.484 nan 8.380 nan 0.000 0.487 478 I N 5.252 125.971 120.570 0.248 0.000 2.447 478 I HA 0.360 4.531 4.170 0.001 0.000 0.287 478 I C -1.630 174.715 176.117 0.379 0.000 1.023 478 I CA -1.966 59.487 61.300 0.255 0.000 1.083 478 I CB 2.674 40.741 38.000 0.112 0.000 1.245 478 I HN 0.422 nan 8.210 nan 0.000 0.434 479 P HA -0.010 nan 4.420 nan 0.000 0.213 479 P C -0.316 176.965 177.300 -0.031 0.000 1.176 479 P CA 0.966 64.222 63.100 0.259 0.000 0.894 479 P CB 0.228 31.997 31.700 0.116 0.000 0.771 480 D N -1.991 118.392 120.400 -0.028 0.000 2.391 480 D HA 0.450 5.091 4.640 0.001 0.000 0.245 480 D C 0.519 176.799 176.300 -0.034 0.000 1.069 480 D CA -0.734 53.234 54.000 -0.053 0.000 0.831 480 D CB 1.373 42.132 40.800 -0.069 0.000 1.204 480 D HN -0.114 nan 8.370 nan 0.000 0.503 481 A N 3.147 125.859 122.820 -0.179 0.000 2.067 481 A HA -0.057 4.264 4.320 0.001 0.000 0.217 481 A C 1.251 178.530 177.584 -0.507 0.000 1.156 481 A CA 0.810 52.567 52.037 -0.468 0.000 0.683 481 A CB -0.568 17.788 19.000 -1.075 0.000 0.808 481 A HN 0.685 nan 8.150 nan 0.000 0.455 482 Y N -0.218 119.854 120.300 -0.380 0.000 2.314 482 Y HA 0.066 4.616 4.550 0.001 0.000 0.293 482 Y C 2.607 178.519 175.900 0.020 0.000 1.129 482 Y CA 0.558 58.615 58.100 -0.072 0.000 1.201 482 Y CB -0.334 38.104 38.460 -0.037 0.000 0.999 482 Y HN 0.298 nan 8.280 nan 0.000 0.541 483 A N -1.154 121.743 122.820 0.129 0.000 2.248 483 A HA -0.113 4.208 4.320 0.001 0.000 0.210 483 A C 0.080 177.712 177.584 0.080 0.000 1.174 483 A CA 0.458 52.546 52.037 0.084 0.000 0.750 483 A CB -1.198 17.832 19.000 0.049 0.000 0.780 483 A HN 0.457 nan 8.150 nan 0.000 0.478 484 H N -0.376 118.709 119.070 0.025 0.000 2.467 484 H HA 0.339 4.896 4.556 0.001 0.000 0.326 484 H C -1.289 174.068 175.328 0.047 0.000 1.094 484 H CA -1.585 54.482 56.048 0.031 0.000 1.253 484 H CB 1.448 31.226 29.762 0.026 0.000 1.439 484 H HN -0.019 nan 8.280 nan 0.000 0.479 485 P HA -0.202 nan 4.420 nan 0.000 0.218 485 P C 0.636 178.003 177.300 0.112 0.000 1.146 485 P CA 1.321 64.392 63.100 -0.049 0.000 0.820 485 P CB 0.421 32.021 31.700 -0.167 0.000 0.778 486 L N -3.877 117.552 121.223 0.343 0.000 2.590 486 L HA 0.226 4.567 4.340 0.001 0.000 0.227 486 L C 1.577 178.544 176.870 0.162 0.000 1.099 486 L CA -0.361 54.620 54.840 0.235 0.000 0.872 486 L CB -0.666 41.517 42.059 0.207 0.000 1.088 486 L HN -0.169 nan 8.230 nan 0.000 0.479 495 T N 1.512 116.128 114.554 0.104 0.000 3.327 495 T HA 0.564 4.914 4.350 0.001 0.000 0.244 495 T C 0.986 175.749 174.700 0.104 0.000 1.074 495 T CA 0.500 62.649 62.100 0.081 0.000 1.156 495 T CB 0.304 69.205 68.868 0.056 0.000 1.087 495 T HN 0.912 nan 8.240 nan 0.000 0.575 496 G N 1.077 109.946 108.800 0.117 0.000 2.493 496 G HA2 -0.285 3.676 3.960 0.001 0.000 0.206 496 G HA3 -0.285 3.676 3.960 0.001 0.000 0.206 496 G C 0.662 175.655 174.900 0.154 0.000 1.109 496 G CA 0.036 45.206 45.100 0.117 0.000 0.689 496 G HN 0.434 nan 8.290 nan 0.000 0.516 497 F N 2.005 121.999 119.950 0.073 0.000 2.011 497 F HA 0.182 4.710 4.527 0.001 0.000 0.296 497 F C 1.741 177.618 175.800 0.128 0.000 1.144 497 F CA 2.708 60.766 58.000 0.096 0.000 1.185 497 F CB -0.077 38.985 39.000 0.104 0.000 0.961 497 F HN 0.362 nan 8.300 nan 0.000 0.485 498 R N 0.891 121.491 120.500 0.167 0.000 2.448 498 R HA -0.146 4.195 4.340 0.001 0.000 0.336 498 R C -0.819 175.490 176.300 0.016 0.000 1.038 498 R CA 0.633 56.817 56.100 0.140 0.000 0.804 498 R CB -2.159 28.129 30.300 -0.020 0.000 2.350 498 R HN 0.259 nan 8.270 nan 0.000 0.484 499 T N 2.620 117.444 114.554 0.450 0.000 2.817 499 T HA 0.277 4.628 4.350 0.001 0.000 0.293 499 T C 1.531 176.370 174.700 0.231 0.000 0.964 499 T CA -0.362 62.007 62.100 0.448 0.000 1.085 499 T CB 1.010 70.374 68.868 0.827 0.000 0.921 499 T HN 0.364 nan 8.240 nan 0.000 0.502 500 R N 2.780 123.338 120.500 0.096 0.000 2.009 500 R HA 0.165 4.506 4.340 0.001 0.000 0.213 500 R C 0.313 176.604 176.300 -0.015 0.000 1.297 500 R CA 0.314 56.415 56.100 0.003 0.000 1.008 500 R CB -0.192 30.076 30.300 -0.053 0.000 0.852 500 R HN 0.636 nan 8.270 nan 0.000 0.475 501 N N 0.033 118.768 118.700 0.057 0.000 2.525 501 N HA 0.574 5.314 4.740 0.001 0.000 0.288 501 N C -1.105 174.650 175.510 0.408 0.000 1.242 501 N CA -0.736 52.418 53.050 0.174 0.000 0.905 501 N CB 1.513 40.082 38.487 0.137 0.000 1.258 501 N HN 0.092 nan 8.380 nan 0.000 0.551 502 I N -0.338 120.557 120.570 0.543 0.000 2.680 502 I HA 0.251 4.421 4.170 0.001 0.000 0.291 502 I C -1.755 174.382 176.117 0.033 0.000 1.244 502 I CA -0.697 60.796 61.300 0.322 0.000 1.042 502 I CB 2.128 40.216 38.000 0.147 0.000 1.277 502 I HN 0.325 nan 8.210 nan 0.000 0.423 503 L N 6.590 127.531 121.223 -0.470 0.000 2.319 503 L HA 0.650 4.990 4.340 0.001 0.000 0.281 503 L C -1.106 175.653 176.870 -0.185 0.000 1.005 503 L CA -0.430 54.073 54.840 -0.561 0.000 0.828 503 L CB 1.260 42.574 42.059 -1.242 0.000 1.227 503 L HN 0.810 nan 8.230 nan 0.000 0.415 504 C N 6.416 125.688 119.300 -0.046 0.000 2.455 504 C HA 0.877 5.338 4.460 0.001 0.000 0.320 504 C C -0.724 174.330 174.990 0.108 0.000 1.226 504 C CA -0.641 58.363 59.018 -0.024 0.000 1.569 504 C CB 0.377 28.092 27.740 -0.043 0.000 2.200 504 C HN 0.737 nan 8.230 nan 0.000 0.491 505 F N 4.706 124.647 119.950 -0.016 0.000 2.619 505 F HA 0.841 5.368 4.527 0.001 0.000 0.308 505 F C -2.862 172.952 175.800 0.023 0.000 1.097 505 F CA -2.526 55.475 58.000 0.002 0.000 0.953 505 F CB 0.684 39.683 39.000 -0.000 0.000 1.287 505 F HN 0.343 nan 8.300 nan 0.000 0.446 506 P HA 0.306 nan 4.420 nan 0.000 0.274 506 P C -0.193 177.199 177.300 0.152 0.000 1.256 506 P CA -0.026 63.132 63.100 0.097 0.000 0.795 506 P CB 2.096 33.846 31.700 0.084 0.000 1.038 507 I N -0.635 119.981 120.570 0.077 0.000 3.366 507 I HA 0.098 4.269 4.170 0.001 0.000 0.267 507 I C 0.164 176.312 176.117 0.053 0.000 1.149 507 I CA 0.673 62.023 61.300 0.082 0.000 1.436 507 I CB -0.305 37.726 38.000 0.052 0.000 1.379 507 I HN 0.510 nan 8.210 nan 0.000 0.460 508 K N 1.867 122.286 120.400 0.032 0.000 7.206 508 K HA -0.209 4.112 4.320 0.001 0.000 0.574 508 K C -0.809 175.799 176.600 0.013 0.000 2.585 508 K CA 0.707 57.005 56.287 0.019 0.000 2.031 508 K CB -1.540 30.970 32.500 0.017 0.000 2.135 508 K HN 0.437 nan 8.250 nan 0.000 0.221 509 N N 0.608 119.313 118.700 0.008 0.000 2.643 509 N HA 0.169 4.909 4.740 0.001 0.000 0.305 509 N C 0.542 176.052 175.510 -0.001 0.000 1.283 509 N CA -0.276 52.778 53.050 0.007 0.000 0.946 509 N CB 0.274 38.768 38.487 0.011 0.000 1.149 509 N HN 0.606 nan 8.380 nan 0.000 0.600 510 E N -0.138 120.060 120.200 -0.002 0.000 2.197 510 E HA -0.265 4.086 4.350 0.001 0.000 0.205 510 E C 0.792 177.387 176.600 -0.009 0.000 1.029 510 E CA 1.627 58.022 56.400 -0.009 0.000 0.828 510 E CB -0.617 29.079 29.700 -0.007 0.000 0.737 510 E HN 0.649 nan 8.360 nan 0.000 0.464 511 N N -0.313 118.384 118.700 -0.005 0.000 2.236 511 N HA -0.018 4.723 4.740 0.001 0.000 0.195 511 N C 1.172 176.679 175.510 -0.005 0.000 1.048 511 N CA 0.456 53.503 53.050 -0.005 0.000 0.927 511 N CB 0.132 38.617 38.487 -0.003 0.000 1.112 511 N HN -0.050 nan 8.380 nan 0.000 0.482 512 Q N -0.270 119.529 119.800 -0.003 0.000 1.610 512 Q HA 0.011 4.352 4.340 0.001 0.000 0.155 512 Q C -1.544 174.455 176.000 -0.001 0.000 0.795 512 Q CA 0.040 55.842 55.803 -0.002 0.000 0.754 512 Q CB 0.515 29.251 28.738 -0.003 0.000 1.223 512 Q HN 0.455 nan 8.270 nan 0.000 0.356 513 E N 1.289 121.488 120.200 -0.001 0.000 2.166 513 E HA 0.183 4.533 4.350 0.001 0.000 0.279 513 E C 0.080 176.681 176.600 0.002 0.000 1.095 513 E CA -0.219 56.180 56.400 -0.002 0.000 0.888 513 E CB 1.242 30.941 29.700 -0.002 0.000 1.041 513 E HN -0.090 nan 8.360 nan 0.000 0.414 514 V N 5.165 125.078 119.914 -0.001 0.000 2.555 514 V HA -0.164 3.957 4.120 0.001 0.000 0.299 514 V C 1.147 177.242 176.094 0.003 0.000 1.012 514 V CA 0.728 63.029 62.300 0.003 0.000 1.180 514 V CB 0.075 31.894 31.823 -0.007 0.000 0.887 514 V HN 0.820 nan 8.190 nan 0.000 0.476 515 I N 3.245 123.821 120.570 0.010 0.000 3.939 515 I HA 0.375 4.546 4.170 0.001 0.000 0.313 515 I C 0.922 177.047 176.117 0.014 0.000 1.274 515 I CA 1.140 62.447 61.300 0.011 0.000 1.301 515 I CB 0.548 38.556 38.000 0.014 0.000 1.105 515 I HN 0.731 nan 8.210 nan 0.000 0.427 516 G N -0.073 108.736 108.800 0.015 0.000 2.608 516 G HA2 0.565 4.526 3.960 0.001 0.000 0.291 516 G HA3 0.565 4.526 3.960 0.001 0.000 0.291 516 G C -1.872 173.028 174.900 -0.001 0.000 1.425 516 G CA -0.246 44.866 45.100 0.019 0.000 0.787 516 G HN -0.181 nan 8.290 nan 0.000 0.484 517 V N -0.767 119.150 119.914 0.004 0.000 3.007 517 V HA 0.920 5.041 4.120 0.001 0.000 0.311 517 V C -0.140 175.893 176.094 -0.101 0.000 1.120 517 V CA -0.493 61.765 62.300 -0.071 0.000 0.980 517 V CB 1.728 33.520 31.823 -0.052 0.000 1.033 517 V HN 1.795 nan 8.190 nan 0.000 0.429 518 A N 2.632 125.222 122.820 -0.384 0.000 2.437 518 A HA 0.833 5.154 4.320 0.001 0.000 0.293 518 A C -0.838 176.496 177.584 -0.418 0.000 1.038 518 A CA -0.572 51.217 52.037 -0.413 0.000 0.708 518 A CB 1.499 20.115 19.000 -0.640 0.000 1.251 518 A HN 1.017 nan 8.150 nan 0.000 0.409 519 E N 2.257 122.386 120.200 -0.117 0.000 2.238 519 E HA 0.738 5.089 4.350 0.001 0.000 0.267 519 E C -1.619 174.982 176.600 0.001 0.000 0.887 519 E CA -0.769 55.594 56.400 -0.061 0.000 0.769 519 E CB 1.772 31.470 29.700 -0.004 0.000 1.187 519 E HN 0.439 nan 8.360 nan 0.000 0.416 520 L N 2.658 123.877 121.223 -0.006 0.000 2.322 520 L HA 0.466 4.807 4.340 0.001 0.000 0.281 520 L C -0.950 176.026 176.870 0.178 0.000 1.014 520 L CA -1.074 53.802 54.840 0.060 0.000 0.815 520 L CB 1.940 43.999 42.059 -0.001 0.000 1.247 520 L HN 0.484 nan 8.230 nan 0.000 0.421 521 V N 2.912 122.979 119.914 0.255 0.000 2.448 521 V HA 0.516 4.636 4.120 0.001 0.000 0.295 521 V C -0.643 175.689 176.094 0.397 0.000 1.025 521 V CA -0.892 61.619 62.300 0.351 0.000 0.859 521 V CB 1.310 33.307 31.823 0.289 0.000 0.988 521 V HN 0.898 nan 8.190 nan 0.000 0.431 522 N N 2.143 121.080 118.700 0.396 0.000 4.111 522 N HA -0.152 4.589 4.740 0.001 0.000 0.311 522 N C -0.712 174.843 175.510 0.075 0.000 2.201 522 N CA 0.327 53.489 53.050 0.186 0.000 2.853 522 N CB -0.129 38.488 38.487 0.217 0.000 0.348 522 N HN 0.934 nan 8.380 nan 0.000 0.660 523 K N 2.884 123.167 120.400 -0.195 0.000 2.234 523 K HA 0.443 4.764 4.320 0.001 0.000 0.282 523 K C 0.027 176.584 176.600 -0.071 0.000 1.039 523 K CA -0.520 55.639 56.287 -0.213 0.000 0.928 523 K CB 0.568 32.806 32.500 -0.437 0.000 1.039 523 K HN 0.423 nan 8.250 nan 0.000 0.470 524 I N 4.296 124.857 120.570 -0.015 0.000 2.342 524 I HA 0.147 4.318 4.170 0.001 0.000 0.291 524 I C 0.076 176.190 176.117 -0.005 0.000 1.010 524 I CA -0.395 60.906 61.300 0.002 0.000 1.308 524 I CB 0.293 38.307 38.000 0.024 0.000 1.400 524 I HN 0.934 nan 8.210 nan 0.000 0.488 525 N N 4.405 123.101 118.700 -0.007 0.000 2.648 525 N HA -0.101 4.640 4.740 0.001 0.000 0.265 525 N C -0.504 175.006 175.510 0.001 0.000 1.100 525 N CA 1.057 54.107 53.050 -0.000 0.000 0.715 525 N CB -0.794 37.699 38.487 0.010 0.000 0.881 525 N HN 1.257 nan 8.380 nan 0.000 0.548 526 G N 0.139 108.933 108.800 -0.010 0.000 2.361 526 G HA2 0.372 4.333 3.960 0.001 0.000 0.299 526 G HA3 0.372 4.333 3.960 0.001 0.000 0.299 526 G C -2.262 172.631 174.900 -0.012 0.000 1.544 526 G CA -0.308 44.799 45.100 0.011 0.000 0.860 526 G HN 0.105 nan 8.290 nan 0.000 0.610 527 P HA 0.177 nan 4.420 nan 0.000 0.217 527 P C 0.345 177.594 177.300 -0.084 0.000 1.154 527 P CA 1.587 64.631 63.100 -0.094 0.000 0.841 527 P CB 0.140 31.734 31.700 -0.178 0.000 0.790 528 W N -1.245 119.912 121.300 -0.239 0.000 3.840 528 W HA 0.488 5.149 4.660 0.001 0.000 0.391 528 W C -1.201 174.970 176.519 -0.580 0.000 1.711 528 W CA -1.489 55.610 57.345 -0.410 0.000 1.288 528 W CB -0.851 28.521 29.460 -0.147 0.000 1.593 528 W HN -0.391 nan 8.180 nan 0.000 0.629 529 F N 2.575 122.625 119.950 0.166 0.000 2.347 529 F HA 0.509 5.037 4.527 0.001 0.000 0.366 529 F C 0.667 176.353 175.800 -0.191 0.000 1.107 529 F CA -0.961 57.022 58.000 -0.030 0.000 1.058 529 F CB 1.154 40.150 39.000 -0.008 0.000 1.236 529 F HN -0.014 nan 8.300 nan 0.000 0.456 530 S N 2.693 118.370 115.700 -0.038 0.000 2.643 530 S HA -0.098 4.372 4.470 0.001 0.000 0.310 530 S C 1.113 175.679 174.600 -0.057 0.000 1.253 530 S CA -0.356 57.806 58.200 -0.062 0.000 1.047 530 S CB 0.425 63.674 63.200 0.080 0.000 0.767 530 S HN 0.547 nan 8.310 nan 0.000 0.498 531 K N 1.153 121.507 120.400 -0.077 0.000 2.632 531 K HA -0.022 4.299 4.320 0.001 0.000 0.196 531 K C 0.641 177.278 176.600 0.061 0.000 1.023 531 K CA 0.340 56.599 56.287 -0.046 0.000 1.098 531 K CB -0.362 32.090 32.500 -0.080 0.000 0.862 531 K HN 0.778 nan 8.250 nan 0.000 0.504 532 F N 0.590 120.503 119.950 -0.062 0.000 2.680 532 F HA 0.205 4.733 4.527 0.001 0.000 0.290 532 F C -0.113 175.662 175.800 -0.042 0.000 1.114 532 F CA -0.463 57.507 58.000 -0.050 0.000 1.333 532 F CB 0.447 39.419 39.000 -0.048 0.000 1.091 532 F HN -0.202 nan 8.300 nan 0.000 0.606 533 D N 2.594 122.716 120.400 -0.464 0.000 2.470 533 D HA 0.194 4.835 4.640 0.001 0.000 0.226 533 D C 0.426 176.589 176.300 -0.227 0.000 1.196 533 D CA 0.478 54.202 54.000 -0.461 0.000 0.979 533 D CB 0.882 41.553 40.800 -0.215 0.000 1.059 533 D HN 0.639 nan 8.370 nan 0.000 0.515 534 E N 0.182 120.252 120.200 -0.217 0.000 1.603 534 E HA -0.114 4.237 4.350 0.001 0.000 0.238 534 E C 0.222 176.743 176.600 -0.131 0.000 1.062 534 E CA -0.031 56.277 56.400 -0.153 0.000 1.490 534 E CB -0.106 29.549 29.700 -0.075 0.000 4.197 534 E HN 0.066 nan 8.360 nan 0.000 0.849 535 D N 1.783 122.148 120.400 -0.058 0.000 2.194 535 D HA -0.050 4.590 4.640 0.001 0.000 0.204 535 D C 1.879 178.168 176.300 -0.019 0.000 0.964 535 D CA 0.524 54.520 54.000 -0.007 0.000 0.846 535 D CB 0.091 40.934 40.800 0.070 0.000 0.962 535 D HN 0.136 nan 8.370 nan 0.000 0.490 536 L N 0.595 121.783 121.223 -0.058 0.000 2.027 536 L HA -0.090 4.251 4.340 0.001 0.000 0.206 536 L C 2.163 178.934 176.870 -0.166 0.000 1.074 536 L CA 1.343 56.130 54.840 -0.089 0.000 0.745 536 L CB -0.358 41.555 42.059 -0.243 0.000 0.898 536 L HN 0.065 nan 8.230 nan 0.000 0.433 537 A N -0.503 122.133 122.820 -0.308 0.000 1.883 537 A HA -0.219 4.102 4.320 0.001 0.000 0.217 537 A C 2.188 179.465 177.584 -0.511 0.000 1.186 537 A CA 2.380 54.076 52.037 -0.568 0.000 0.624 537 A CB -1.019 17.517 19.000 -0.773 0.000 0.822 537 A HN 0.501 nan 8.150 nan 0.000 0.444 538 T N 0.513 114.889 114.554 -0.296 0.000 2.708 538 T HA -0.047 4.303 4.350 0.001 0.000 0.266 538 T C 2.238 176.907 174.700 -0.052 0.000 1.037 538 T CA 1.750 63.757 62.100 -0.154 0.000 1.146 538 T CB -0.639 68.186 68.868 -0.071 0.000 0.865 538 T HN 0.634 nan 8.240 nan 0.000 0.435 539 A N 1.651 124.475 122.820 0.005 0.000 1.849 539 A HA -0.136 4.185 4.320 0.001 0.000 0.217 539 A C 2.029 179.757 177.584 0.240 0.000 1.202 539 A CA 1.981 54.082 52.037 0.106 0.000 0.629 539 A CB -1.285 17.793 19.000 0.131 0.000 0.834 539 A HN 0.451 nan 8.150 nan 0.000 0.447 540 F N 1.111 121.097 119.950 0.059 0.000 2.065 540 F HA -0.213 4.315 4.527 0.002 0.000 0.298 540 F C 2.670 178.551 175.800 0.134 0.000 1.112 540 F CA 2.100 60.171 58.000 0.119 0.000 1.212 540 F CB -0.744 38.234 39.000 -0.038 0.000 0.975 540 F HN 0.230 nan 8.300 nan 0.000 0.476 541 S N 0.067 115.839 115.700 0.120 0.000 2.461 541 S HA -0.240 4.231 4.470 0.001 0.000 0.249 541 S C 1.976 176.573 174.600 -0.006 0.000 1.012 541 S CA 1.650 59.906 58.200 0.094 0.000 0.982 541 S CB -0.798 62.455 63.200 0.088 0.000 0.764 541 S HN 0.489 nan 8.310 nan 0.000 0.506 542 I N -0.629 119.901 120.570 -0.066 0.000 2.277 542 I HA -0.085 4.086 4.170 0.001 0.000 0.243 542 I C 1.793 177.757 176.117 -0.256 0.000 1.094 542 I CA 1.117 62.298 61.300 -0.198 0.000 1.393 542 I CB -0.370 37.422 38.000 -0.346 0.000 1.078 542 I HN 0.314 nan 8.210 nan 0.000 0.417 543 Y N -0.036 120.183 120.300 -0.136 0.000 2.333 543 Y HA -0.260 4.291 4.550 0.001 0.000 0.290 543 Y C 2.741 178.516 175.900 -0.209 0.000 1.144 543 Y CA 0.977 58.960 58.100 -0.195 0.000 1.228 543 Y CB -0.821 37.382 38.460 -0.428 0.000 0.985 543 Y HN 0.272 nan 8.280 nan 0.000 0.542 544 C N -0.543 118.644 119.300 -0.188 0.000 2.453 544 C HA -0.117 4.344 4.460 0.001 0.000 0.277 544 C C 3.058 178.034 174.990 -0.024 0.000 1.262 544 C CA 1.353 60.267 59.018 -0.174 0.000 1.718 544 C CB -1.444 26.174 27.740 -0.203 0.000 2.031 544 C HN 0.742 nan 8.230 nan 0.000 0.480 545 G N 0.669 109.463 108.800 -0.011 0.000 2.422 545 G HA2 -0.122 3.839 3.960 0.001 0.000 0.218 545 G HA3 -0.122 3.839 3.960 0.001 0.000 0.218 545 G C 1.425 176.351 174.900 0.043 0.000 1.146 545 G CA 0.673 45.783 45.100 0.017 0.000 0.769 545 G HN 0.399 nan 8.290 nan 0.000 0.547 546 I N 2.127 122.739 120.570 0.070 0.000 2.110 546 I HA -0.172 3.998 4.170 0.001 0.000 0.236 546 I C 3.224 179.443 176.117 0.169 0.000 1.068 546 I CA 1.950 63.322 61.300 0.120 0.000 1.333 546 I CB -1.303 36.837 38.000 0.232 0.000 1.054 546 I HN 0.362 nan 8.210 nan 0.000 0.402 547 S N 1.101 116.969 115.700 0.280 0.000 2.368 547 S HA -0.132 4.339 4.470 0.001 0.000 0.224 547 S C 2.148 176.837 174.600 0.148 0.000 1.029 547 S CA 0.885 59.245 58.200 0.266 0.000 0.988 547 S CB -1.015 62.389 63.200 0.340 0.000 0.838 547 S HN 0.339 nan 8.310 nan 0.000 0.462 548 I N 2.645 123.273 120.570 0.097 0.000 2.127 548 I HA -0.212 3.959 4.170 0.001 0.000 0.241 548 I C 3.069 179.221 176.117 0.057 0.000 1.075 548 I CA 1.322 62.657 61.300 0.060 0.000 1.334 548 I CB -0.688 37.333 38.000 0.036 0.000 1.040 548 I HN 0.420 nan 8.210 nan 0.000 0.405 549 A N -0.185 122.674 122.820 0.065 0.000 1.892 549 A HA -0.355 3.966 4.320 0.001 0.000 0.218 549 A C 2.215 179.846 177.584 0.077 0.000 1.188 549 A CA 2.530 54.604 52.037 0.061 0.000 0.631 549 A CB -1.061 17.973 19.000 0.057 0.000 0.822 549 A HN 0.574 nan 8.150 nan 0.000 0.447 550 H N -0.692 118.388 119.070 0.017 0.000 2.333 550 H HA -0.007 4.550 4.556 0.001 0.000 0.302 550 H C 2.450 177.798 175.328 0.034 0.000 1.075 550 H CA 1.681 57.736 56.048 0.011 0.000 1.348 550 H CB -0.367 29.375 29.762 -0.033 0.000 1.393 550 H HN 0.371 nan 8.280 nan 0.000 0.509 551 S N -0.436 115.241 115.700 -0.038 0.000 2.369 551 S HA -0.189 4.282 4.470 0.001 0.000 0.225 551 S C 2.241 176.816 174.600 -0.042 0.000 1.043 551 S CA 1.760 59.921 58.200 -0.064 0.000 1.074 551 S CB -0.484 62.728 63.200 0.020 0.000 0.962 551 S HN 0.414 nan 8.310 nan 0.000 0.433 552 L N 0.589 121.802 121.223 -0.017 0.000 1.994 552 L HA -0.114 4.227 4.340 0.001 0.000 0.208 552 L C 2.430 179.285 176.870 -0.026 0.000 1.071 552 L CA 1.103 55.938 54.840 -0.007 0.000 0.745 552 L CB -0.563 41.496 42.059 0.001 0.000 0.892 552 L HN 0.288 nan 8.230 nan 0.000 0.431 553 L N -1.327 119.863 121.223 -0.055 0.000 2.137 553 L HA -0.310 4.031 4.340 0.001 0.000 0.213 553 L C 2.469 179.298 176.870 -0.068 0.000 1.085 553 L CA 1.615 56.417 54.840 -0.062 0.000 0.760 553 L CB -0.335 41.698 42.059 -0.043 0.000 0.893 553 L HN 0.262 nan 8.230 nan 0.000 0.434 554 Y N -0.522 119.599 120.300 -0.298 0.000 2.347 554 Y HA -0.149 4.402 4.550 0.001 0.000 0.294 554 Y C 2.547 178.371 175.900 -0.126 0.000 1.117 554 Y CA 1.276 59.232 58.100 -0.240 0.000 1.184 554 Y CB 0.060 38.325 38.460 -0.325 0.000 1.047 554 Y HN -0.015 nan 8.280 nan 0.000 0.546 555 K N 0.688 121.129 120.400 0.068 0.000 1.991 555 K HA -0.219 4.102 4.320 0.001 0.000 0.212 555 K C 2.034 178.588 176.600 -0.077 0.000 1.049 555 K CA 1.745 58.032 56.287 -0.001 0.000 0.932 555 K CB -0.085 32.428 32.500 0.022 0.000 0.717 555 K HN 0.185 nan 8.250 nan 0.000 0.441 556 K N 0.443 120.809 120.400 -0.057 0.000 2.071 556 K HA -0.216 4.105 4.320 0.001 0.000 0.217 556 K C 2.199 178.743 176.600 -0.093 0.000 1.054 556 K CA 2.064 58.314 56.287 -0.061 0.000 0.937 556 K CB -0.876 31.598 32.500 -0.043 0.000 0.719 556 K HN 0.134 nan 8.250 nan 0.000 0.454 557 V N 1.830 121.662 119.914 -0.137 0.000 2.214 557 V HA -0.272 3.848 4.120 0.001 0.000 0.244 557 V C 2.141 178.112 176.094 -0.205 0.000 1.045 557 V CA 1.972 64.167 62.300 -0.175 0.000 0.993 557 V CB -0.939 30.751 31.823 -0.221 0.000 0.633 557 V HN 0.307 nan 8.190 nan 0.000 0.449 558 N N -0.159 118.353 118.700 -0.313 0.000 2.187 558 N HA -0.255 4.486 4.740 0.001 0.000 0.194 558 N C 1.854 177.289 175.510 -0.124 0.000 1.002 558 N CA 1.957 54.855 53.050 -0.253 0.000 0.882 558 N CB -0.186 38.119 38.487 -0.303 0.000 1.003 558 N HN 0.562 nan 8.380 nan 0.000 0.443 559 E N 0.991 121.129 120.200 -0.102 0.000 2.001 559 E HA -0.035 4.316 4.350 0.001 0.000 0.193 559 E C 1.997 178.579 176.600 -0.031 0.000 0.994 559 E CA 0.891 57.264 56.400 -0.046 0.000 0.815 559 E CB -0.831 28.842 29.700 -0.046 0.000 0.770 559 E HN 0.306 nan 8.360 nan 0.000 0.453 560 A N 0.835 123.620 122.820 -0.059 0.000 2.104 560 A HA -0.300 4.021 4.320 0.001 0.000 0.223 560 A C 2.111 179.636 177.584 -0.098 0.000 1.164 560 A CA 2.253 54.253 52.037 -0.063 0.000 0.659 560 A CB -0.481 18.479 19.000 -0.067 0.000 0.808 560 A HN 0.223 nan 8.150 nan 0.000 0.465 561 Q N -2.659 117.060 119.800 -0.136 0.000 2.204 561 Q HA 0.013 4.353 4.340 0.001 0.000 0.198 561 Q C 1.801 177.613 176.000 -0.313 0.000 0.946 561 Q CA 1.281 56.924 55.803 -0.266 0.000 0.859 561 Q CB -0.300 28.274 28.738 -0.272 0.000 0.946 561 Q HN 0.760 nan 8.270 nan 0.000 0.474 562 Y N 0.541 120.701 120.300 -0.232 0.000 2.220 562 Y HA -0.046 4.505 4.550 0.001 0.000 0.291 562 Y C 1.534 177.377 175.900 -0.097 0.000 1.129 562 Y CA 1.357 59.371 58.100 -0.143 0.000 1.161 562 Y CB 0.226 38.640 38.460 -0.077 0.000 0.997 562 Y HN -0.040 nan 8.280 nan 0.000 0.522 563 R N -0.285 120.276 120.500 0.103 0.000 2.341 563 R HA -0.077 4.264 4.340 0.001 0.000 0.213 563 R C 1.890 178.168 176.300 -0.036 0.000 1.082 563 R CA 1.021 57.150 56.100 0.049 0.000 1.017 563 R CB -0.204 30.128 30.300 0.052 0.000 0.860 563 R HN 0.299 nan 8.270 nan 0.000 0.473 564 S N -0.634 115.009 115.700 -0.095 0.000 2.438 564 S HA 0.015 4.486 4.470 0.001 0.000 0.220 564 S C 1.427 176.036 174.600 0.016 0.000 1.045 564 S CA 0.157 58.321 58.200 -0.060 0.000 0.940 564 S CB -0.029 63.113 63.200 -0.098 0.000 0.863 564 S HN 0.348 nan 8.310 nan 0.000 0.539 565 H N 1.829 120.816 119.070 -0.138 0.000 2.387 565 H HA 0.063 4.620 4.556 0.001 0.000 0.299 565 H C 2.080 177.269 175.328 -0.231 0.000 1.099 565 H CA 0.630 56.574 56.048 -0.173 0.000 1.315 565 H CB -0.716 28.938 29.762 -0.181 0.000 1.380 565 H HN 0.155 nan 8.280 nan 0.000 0.513 566 L N 0.005 121.110 121.223 -0.197 0.000 2.042 566 L HA -0.212 4.129 4.340 0.001 0.000 0.210 566 L C 2.293 179.097 176.870 -0.109 0.000 1.076 566 L CA 1.634 56.316 54.840 -0.263 0.000 0.749 566 L CB -0.622 41.246 42.059 -0.317 0.000 0.893 566 L HN 0.316 nan 8.230 nan 0.000 0.432 567 A N -0.290 122.494 122.820 -0.061 0.000 1.840 567 A HA -0.244 4.077 4.320 0.001 0.000 0.214 567 A C 1.961 179.529 177.584 -0.026 0.000 1.198 567 A CA 1.542 53.565 52.037 -0.023 0.000 0.608 567 A CB -0.839 18.153 19.000 -0.013 0.000 0.839 567 A HN 0.479 nan 8.150 nan 0.000 0.443 568 N N 0.531 119.215 118.700 -0.026 0.000 2.069 568 N HA -0.260 4.480 4.740 0.001 0.000 0.196 568 N C 1.817 177.276 175.510 -0.084 0.000 1.024 568 N CA 2.080 55.098 53.050 -0.054 0.000 0.869 568 N CB -0.405 38.065 38.487 -0.028 0.000 1.035 568 N HN 0.704 nan 8.380 nan 0.000 0.434 569 E N 0.033 120.185 120.200 -0.081 0.000 2.086 569 E HA -0.266 4.085 4.350 0.001 0.000 0.200 569 E C 1.947 178.607 176.600 0.100 0.000 1.012 569 E CA 1.480 57.842 56.400 -0.065 0.000 0.812 569 E CB -0.432 29.157 29.700 -0.185 0.000 0.743 569 E HN 0.465 nan 8.360 nan 0.000 0.453 570 M N -0.150 119.510 119.600 0.099 0.000 2.159 570 M HA -0.070 4.411 4.480 0.001 0.000 0.263 570 M C 1.789 178.064 176.300 -0.041 0.000 1.063 570 M CA 1.115 56.496 55.300 0.135 0.000 1.110 570 M CB -0.012 32.659 32.600 0.119 0.000 1.374 570 M HN 0.151 nan 8.290 nan 0.000 0.411 571 M N -0.622 118.911 119.600 -0.113 0.000 2.704 571 M HA 0.032 4.512 4.480 0.001 0.000 0.215 571 M C 0.870 176.838 176.300 -0.554 0.000 1.156 571 M CA 0.924 56.093 55.300 -0.217 0.000 1.002 571 M CB -0.664 31.858 32.600 -0.131 0.000 1.781 571 M HN 0.397 nan 8.290 nan 0.000 0.486 572 M N -1.967 117.255 119.600 -0.630 0.000 2.231 572 M HA 0.110 4.591 4.480 0.001 0.000 0.347 572 M C -0.386 175.474 176.300 -0.733 0.000 0.901 572 M CA 0.196 55.081 55.300 -0.693 0.000 1.064 572 M CB 0.819 33.247 32.600 -0.286 0.000 1.861 572 M HN 0.310 nan 8.290 nan 0.000 0.638 573 Y N 0.597 120.842 120.300 -0.091 0.000 3.589 573 Y HA -0.289 4.262 4.550 0.001 0.000 0.218 573 Y C -0.089 175.710 175.900 -0.169 0.000 1.234 573 Y CA 0.681 58.643 58.100 -0.231 0.000 1.576 573 Y CB -3.327 35.051 38.460 -0.136 0.000 1.487 573 Y HN 0.557 nan 8.280 nan 0.000 0.616 574 H N -3.257 115.800 119.070 -0.022 0.000 2.604 574 H HA -0.207 4.350 4.556 0.001 0.000 0.321 574 H C 0.472 175.778 175.328 -0.037 0.000 1.132 574 H CA 0.180 56.206 56.048 -0.036 0.000 1.129 574 H CB -1.038 28.718 29.762 -0.010 0.000 1.526 574 H HN 0.524 nan 8.280 nan 0.000 0.415 575 M N 1.946 121.565 119.600 0.032 0.000 2.245 575 M HA 0.066 4.547 4.480 0.001 0.000 0.344 575 M C 0.223 176.511 176.300 -0.020 0.000 1.170 575 M CA 0.586 55.880 55.300 -0.009 0.000 1.135 575 M CB 0.481 33.045 32.600 -0.059 0.000 1.574 575 M HN 0.237 nan 8.290 nan 0.000 0.452 576 K N 2.811 123.201 120.400 -0.016 0.000 2.690 576 K HA 0.466 4.786 4.320 0.001 0.000 0.243 576 K C -1.452 175.137 176.600 -0.017 0.000 0.982 576 K CA -0.473 55.803 56.287 -0.018 0.000 0.955 576 K CB 0.247 32.747 32.500 0.000 0.000 1.185 576 K HN 0.337 nan 8.250 nan 0.000 0.467 577 V N 2.292 122.191 119.914 -0.026 0.000 2.432 577 V HA 0.280 4.401 4.120 0.001 0.000 0.271 577 V C 0.181 176.294 176.094 0.032 0.000 1.046 577 V CA -0.320 61.976 62.300 -0.007 0.000 0.945 577 V CB 1.354 33.161 31.823 -0.026 0.000 0.992 577 V HN 0.867 nan 8.190 nan 0.000 0.471 578 S N 2.958 118.688 115.700 0.051 0.000 2.592 578 S HA 0.097 4.568 4.470 0.001 0.000 0.271 578 S C 0.989 175.690 174.600 0.168 0.000 1.326 578 S CA -0.584 57.659 58.200 0.072 0.000 1.024 578 S CB 0.714 63.933 63.200 0.032 0.000 0.921 578 S HN 0.869 nan 8.310 nan 0.000 0.527 579 D N 2.142 122.635 120.400 0.156 0.000 2.311 579 D HA -0.063 4.578 4.640 0.001 0.000 0.212 579 D C 0.913 177.183 176.300 -0.050 0.000 0.972 579 D CA 1.150 55.279 54.000 0.215 0.000 0.887 579 D CB -0.008 40.870 40.800 0.129 0.000 0.915 579 D HN 0.556 nan 8.370 nan 0.000 0.497 580 D N -0.298 120.074 120.400 -0.046 0.000 2.197 580 D HA -0.012 4.629 4.640 0.001 0.000 0.212 580 D C 1.769 177.994 176.300 -0.125 0.000 0.963 580 D CA 0.422 54.350 54.000 -0.120 0.000 0.864 580 D CB 0.271 41.030 40.800 -0.069 0.000 1.009 580 D HN 0.051 nan 8.370 nan 0.000 0.479 581 E N -0.498 119.682 120.200 -0.033 0.000 2.033 581 E HA -0.280 4.071 4.350 0.001 0.000 0.199 581 E C 2.025 178.630 176.600 0.009 0.000 1.011 581 E CA 1.616 58.012 56.400 -0.007 0.000 0.815 581 E CB -0.223 29.496 29.700 0.032 0.000 0.755 581 E HN 0.502 nan 8.360 nan 0.000 0.451 582 Y N 0.816 121.093 120.300 -0.038 0.000 2.097 582 Y HA -0.244 4.307 4.550 0.001 0.000 0.282 582 Y C 2.541 178.419 175.900 -0.036 0.000 1.152 582 Y CA 1.927 60.011 58.100 -0.027 0.000 1.136 582 Y CB -1.403 37.048 38.460 -0.014 0.000 0.975 582 Y HN 0.063 nan 8.280 nan 0.000 0.498 583 T N -1.397 112.680 114.554 -0.795 0.000 2.803 583 T HA -0.180 4.171 4.350 0.001 0.000 0.269 583 T C 1.637 176.105 174.700 -0.385 0.000 1.052 583 T CA 1.700 63.414 62.100 -0.643 0.000 1.136 583 T CB -0.418 68.049 68.868 -0.670 0.000 0.864 583 T HN 0.475 nan 8.240 nan 0.000 0.467 584 K N 0.519 120.750 120.400 -0.283 0.000 2.057 584 K HA 0.143 4.464 4.320 0.001 0.000 0.206 584 K C 2.355 178.894 176.600 -0.101 0.000 1.050 584 K CA 0.873 57.032 56.287 -0.214 0.000 0.935 584 K CB -0.459 31.962 32.500 -0.133 0.000 0.715 584 K HN 0.347 nan 8.250 nan 0.000 0.439 585 L N 1.061 122.258 121.223 -0.042 0.000 2.005 585 L HA -0.059 4.281 4.340 0.001 0.000 0.207 585 L C 1.103 178.003 176.870 0.051 0.000 1.072 585 L CA 1.012 55.867 54.840 0.025 0.000 0.744 585 L CB -0.088 42.005 42.059 0.056 0.000 0.895 585 L HN 0.148 nan 8.230 nan 0.000 0.433 586 L N 1.200 122.451 121.223 0.046 0.000 2.437 586 L HA 0.009 4.350 4.340 0.001 0.000 0.243 586 L C -0.381 176.540 176.870 0.085 0.000 1.346 586 L CA -0.147 54.742 54.840 0.082 0.000 1.233 586 L CB -0.490 41.647 42.059 0.130 0.000 1.436 586 L HN 0.190 nan 8.230 nan 0.000 0.416 587 H N 1.376 120.448 119.070 0.004 0.000 2.652 587 H HA 0.106 4.662 4.556 0.001 0.000 0.233 587 H C 0.540 175.870 175.328 0.004 0.000 1.762 587 H CA -0.791 55.253 56.048 -0.008 0.000 1.285 587 H CB -0.051 29.702 29.762 -0.014 0.000 1.668 587 H HN 0.491 nan 8.280 nan 0.000 0.550 588 D N 0.996 121.489 120.400 0.156 0.000 2.930 588 D HA -0.228 4.413 4.640 0.001 0.000 0.198 588 D C 0.857 177.180 176.300 0.039 0.000 1.130 588 D CA 1.955 55.997 54.000 0.070 0.000 0.959 588 D CB -0.491 40.327 40.800 0.030 0.000 1.034 588 D HN 0.663 nan 8.370 nan 0.000 0.373 589 G N -0.188 108.638 108.800 0.042 0.000 2.716 589 G HA2 0.488 4.449 3.960 0.001 0.000 0.333 589 G HA3 0.488 4.449 3.960 0.001 0.000 0.333 589 G C 0.703 175.627 174.900 0.040 0.000 1.168 589 G CA -0.542 44.574 45.100 0.026 0.000 1.064 589 G HN 0.245 nan 8.290 nan 0.000 0.479 590 I N 0.606 121.198 120.570 0.036 0.000 2.830 590 I HA -0.018 4.153 4.170 0.001 0.000 0.263 590 I C 1.186 177.316 176.117 0.021 0.000 1.230 590 I CA 0.628 61.953 61.300 0.041 0.000 1.480 590 I CB -0.038 37.986 38.000 0.041 0.000 1.095 590 I HN 0.773 nan 8.210 nan 0.000 0.455 591 Q N 0.930 120.733 119.800 0.006 0.000 3.244 591 Q HA -0.165 4.176 4.340 0.001 0.000 0.024 591 Q C -2.628 173.351 176.000 -0.036 0.000 1.715 591 Q CA -0.052 55.742 55.803 -0.015 0.000 0.237 591 Q CB -0.505 28.224 28.738 -0.015 0.000 0.588 591 Q HN 0.068 nan 8.270 nan 0.000 0.322 592 P HA 0.222 nan 4.420 nan 0.000 0.285 592 P C 0.460 177.678 177.300 -0.138 0.000 1.285 592 P CA -0.035 63.022 63.100 -0.072 0.000 0.854 592 P CB 1.133 32.802 31.700 -0.053 0.000 1.180 593 V N 0.193 120.002 119.914 -0.176 0.000 2.295 593 V HA -0.257 3.864 4.120 0.001 0.000 0.246 593 V C 2.624 178.535 176.094 -0.305 0.000 1.049 593 V CA 2.582 64.659 62.300 -0.371 0.000 1.024 593 V CB -2.465 29.181 31.823 -0.295 0.000 0.648 593 V HN 0.629 nan 8.190 nan 0.000 0.447 594 A N 0.790 123.526 122.820 -0.139 0.000 1.940 594 A HA -0.243 4.078 4.320 0.001 0.000 0.221 594 A C 2.269 179.808 177.584 -0.075 0.000 1.190 594 A CA 2.772 54.764 52.037 -0.075 0.000 0.647 594 A CB -0.950 18.028 19.000 -0.036 0.000 0.821 594 A HN 0.856 nan 8.150 nan 0.000 0.457 595 A N -1.155 121.613 122.820 -0.086 0.000 2.238 595 A HA 0.278 4.599 4.320 0.001 0.000 0.208 595 A C 1.824 179.367 177.584 -0.068 0.000 1.177 595 A CA 0.639 52.641 52.037 -0.057 0.000 0.804 595 A CB -0.352 18.622 19.000 -0.043 0.000 0.823 595 A HN 0.469 nan 8.150 nan 0.000 0.482 596 I N -0.428 120.052 120.570 -0.150 0.000 2.162 596 I HA -0.006 4.165 4.170 0.001 0.000 0.238 596 I C 0.651 176.763 176.117 -0.009 0.000 1.076 596 I CA 1.346 62.555 61.300 -0.152 0.000 1.353 596 I CB -0.213 37.493 38.000 -0.490 0.000 1.063 596 I HN 0.411 nan 8.210 nan 0.000 0.408 597 D N -1.173 119.226 120.400 -0.002 0.000 2.648 597 D HA 0.082 4.722 4.640 0.001 0.000 0.244 597 D C 0.412 176.773 176.300 0.102 0.000 1.244 597 D CA 0.006 54.077 54.000 0.117 0.000 0.772 597 D CB 1.685 42.642 40.800 0.262 0.000 1.379 597 D HN -0.028 nan 8.370 nan 0.000 0.428 598 S N 1.974 117.747 115.700 0.120 0.000 2.523 598 S HA -0.159 4.311 4.470 0.001 0.000 0.226 598 S C 1.117 175.790 174.600 0.122 0.000 1.062 598 S CA 0.727 58.989 58.200 0.104 0.000 1.207 598 S CB -0.397 62.867 63.200 0.108 0.000 1.151 598 S HN 0.601 nan 8.310 nan 0.000 0.408 599 N N 0.947 119.741 118.700 0.156 0.000 2.994 599 N HA 0.250 4.991 4.740 0.001 0.000 0.306 599 N C 0.120 175.714 175.510 0.140 0.000 1.348 599 N CA -0.172 52.971 53.050 0.155 0.000 1.109 599 N CB -0.059 38.511 38.487 0.139 0.000 1.415 599 N HN 0.438 nan 8.380 nan 0.000 0.529 600 F N 1.112 120.939 119.950 -0.204 0.000 2.449 600 F HA -0.118 4.410 4.527 0.001 0.000 0.299 600 F C 1.592 177.202 175.800 -0.316 0.000 1.092 600 F CA 0.900 58.452 58.000 -0.747 0.000 1.446 600 F CB 0.395 39.083 39.000 -0.521 0.000 1.084 600 F HN 0.154 nan 8.300 nan 0.000 0.567 601 A N -0.790 122.089 122.820 0.099 0.000 2.343 601 A HA 0.239 4.560 4.320 0.001 0.000 0.223 601 A C 1.068 178.664 177.584 0.020 0.000 1.214 601 A CA 0.242 52.347 52.037 0.112 0.000 0.900 601 A CB -0.406 18.735 19.000 0.234 0.000 0.942 601 A HN 0.237 nan 8.150 nan 0.000 0.507 602 S N -0.712 115.035 115.700 0.080 0.000 2.545 602 S HA 0.403 4.874 4.470 0.001 0.000 0.275 602 S C 0.604 175.333 174.600 0.215 0.000 1.299 602 S CA -0.600 57.645 58.200 0.075 0.000 1.048 602 S CB -0.150 63.113 63.200 0.104 0.000 0.938 602 S HN 0.285 nan 8.310 nan 0.000 0.496 603 F N 3.008 123.032 119.950 0.124 0.000 2.406 603 F HA -0.104 4.423 4.527 0.001 0.000 0.297 603 F C 2.571 178.473 175.800 0.169 0.000 1.059 603 F CA 1.661 59.746 58.000 0.142 0.000 1.458 603 F CB -1.128 37.933 39.000 0.101 0.000 1.107 603 F HN 0.762 nan 8.300 nan 0.000 0.582 604 T N -4.358 110.402 114.554 0.343 0.000 3.069 604 T HA 0.039 4.390 4.350 0.001 0.000 0.252 604 T C 0.474 175.298 174.700 0.206 0.000 1.053 604 T CA -0.266 61.972 62.100 0.230 0.000 0.964 604 T CB -0.725 68.247 68.868 0.174 0.000 1.005 604 T HN 0.047 nan 8.240 nan 0.000 0.532 605 Y N 3.763 124.152 120.300 0.149 0.000 2.497 605 Y HA 0.350 4.900 4.550 0.001 0.000 0.334 605 Y C 0.563 176.458 175.900 -0.007 0.000 1.199 605 Y CA 0.018 58.167 58.100 0.082 0.000 1.425 605 Y CB 0.776 39.295 38.460 0.097 0.000 1.291 605 Y HN 0.258 nan 8.280 nan 0.000 0.562 606 T N 6.061 120.191 114.554 -0.708 0.000 3.154 606 T HA 0.266 4.617 4.350 0.001 0.000 0.381 606 T C -2.070 172.318 174.700 -0.520 0.000 1.368 606 T CA -2.016 59.813 62.100 -0.452 0.000 1.155 606 T CB 1.056 69.739 68.868 -0.309 0.000 1.120 606 T HN 0.422 nan 8.240 nan 0.000 0.570 607 P HA -0.218 nan 4.420 nan 0.000 0.217 607 P C 1.528 178.901 177.300 0.123 0.000 1.158 607 P CA 1.192 64.304 63.100 0.020 0.000 0.887 607 P CB 0.179 31.810 31.700 -0.115 0.000 0.792 608 R N 0.027 120.521 120.500 -0.010 0.000 2.261 608 R HA -0.123 4.218 4.340 0.001 0.000 0.236 608 R C 2.557 178.810 176.300 -0.078 0.000 1.141 608 R CA 1.558 57.634 56.100 -0.040 0.000 1.001 608 R CB -0.523 29.752 30.300 -0.042 0.000 0.866 608 R HN 0.345 nan 8.270 nan 0.000 0.468 609 S N 0.298 115.925 115.700 -0.122 0.000 2.368 609 S HA -0.109 4.362 4.470 0.001 0.000 0.225 609 S C 0.851 175.427 174.600 -0.040 0.000 1.030 609 S CA 0.435 58.569 58.200 -0.111 0.000 0.999 609 S CB -0.271 62.808 63.200 -0.201 0.000 0.844 609 S HN 0.027 nan 8.310 nan 0.000 0.459 610 L N 2.342 123.569 121.223 0.007 0.000 2.483 610 L HA 0.332 4.673 4.340 0.001 0.000 0.277 610 L C -2.195 174.649 176.870 -0.043 0.000 1.248 610 L CA -1.265 53.595 54.840 0.033 0.000 0.825 610 L CB -1.109 41.000 42.059 0.084 0.000 1.096 610 L HN 0.131 nan 8.230 nan 0.000 0.512 611 P HA 0.104 nan 4.420 nan 0.000 0.275 611 P C 0.151 177.424 177.300 -0.046 0.000 1.227 611 P CA -0.348 62.739 63.100 -0.021 0.000 0.781 611 P CB 0.644 32.348 31.700 0.008 0.000 0.906 612 E N 1.278 121.464 120.200 -0.023 0.000 2.208 612 E HA -0.160 4.190 4.350 0.001 0.000 0.193 612 E C 0.670 177.281 176.600 0.017 0.000 0.988 612 E CA 1.228 57.629 56.400 0.001 0.000 0.828 612 E CB -0.046 29.673 29.700 0.031 0.000 0.763 612 E HN 0.419 nan 8.360 nan 0.000 0.478 613 D N 0.113 120.519 120.400 0.009 0.000 2.323 613 D HA -0.083 4.558 4.640 0.001 0.000 0.209 613 D C 0.565 176.880 176.300 0.024 0.000 0.973 613 D CA 0.419 54.426 54.000 0.012 0.000 0.874 613 D CB 0.090 40.896 40.800 0.010 0.000 0.930 613 D HN 0.229 nan 8.370 nan 0.000 0.521 614 D N 0.890 121.303 120.400 0.021 0.000 2.350 614 D HA -0.051 4.590 4.640 0.001 0.000 0.213 614 D C 2.180 178.519 176.300 0.065 0.000 1.031 614 D CA 0.512 54.538 54.000 0.042 0.000 0.861 614 D CB 0.226 41.052 40.800 0.043 0.000 0.926 614 D HN 0.272 nan 8.370 nan 0.000 0.520 615 T N -1.062 113.508 114.554 0.027 0.000 2.701 615 T HA -0.128 4.223 4.350 0.001 0.000 0.263 615 T C 2.160 177.070 174.700 0.350 0.000 1.040 615 T CA 1.344 63.476 62.100 0.052 0.000 1.147 615 T CB -0.508 68.365 68.868 0.008 0.000 0.865 615 T HN -0.012 nan 8.240 nan 0.000 0.426 616 S N 2.153 117.999 115.700 0.243 0.000 2.387 616 S HA -0.147 4.324 4.470 0.001 0.000 0.230 616 S C 1.992 176.729 174.600 0.228 0.000 1.035 616 S CA 1.560 59.886 58.200 0.210 0.000 1.014 616 S CB -0.681 62.546 63.200 0.045 0.000 0.836 616 S HN 0.395 nan 8.310 nan 0.000 0.466 617 M N 3.130 122.837 119.600 0.179 0.000 2.084 617 M HA 0.012 4.493 4.480 0.001 0.000 0.259 617 M C 2.222 178.637 176.300 0.193 0.000 1.072 617 M CA 1.693 57.085 55.300 0.153 0.000 1.107 617 M CB -1.518 31.146 32.600 0.107 0.000 1.299 617 M HN 0.247 nan 8.290 nan 0.000 0.413 618 A N 1.079 124.049 122.820 0.250 0.000 1.909 618 A HA -0.258 4.063 4.320 0.001 0.000 0.221 618 A C 2.148 179.931 177.584 0.332 0.000 1.223 618 A CA 2.521 54.744 52.037 0.310 0.000 0.658 618 A CB -1.390 17.999 19.000 0.649 0.000 0.831 618 A HN 0.648 nan 8.150 nan 0.000 0.462 619 I N -0.309 120.541 120.570 0.467 0.000 2.068 619 I HA -0.304 3.867 4.170 0.001 0.000 0.238 619 I C 2.611 178.924 176.117 0.327 0.000 1.046 619 I CA 1.740 63.336 61.300 0.493 0.000 1.306 619 I CB -1.659 36.675 38.000 0.557 0.000 1.023 619 I HN 0.361 nan 8.210 nan 0.000 0.399 620 L N 0.559 121.937 121.223 0.258 0.000 2.051 620 L HA -0.279 4.062 4.340 0.001 0.000 0.214 620 L C 2.585 179.521 176.870 0.110 0.000 1.076 620 L CA 1.992 56.936 54.840 0.173 0.000 0.758 620 L CB -0.580 41.568 42.059 0.147 0.000 0.890 620 L HN 0.323 nan 8.230 nan 0.000 0.433 621 S N -1.141 114.610 115.700 0.086 0.000 2.453 621 S HA -0.059 4.412 4.470 0.001 0.000 0.231 621 S C 1.848 176.452 174.600 0.006 0.000 1.005 621 S CA 0.977 59.183 58.200 0.010 0.000 0.949 621 S CB -0.076 63.082 63.200 -0.069 0.000 0.774 621 S HN 0.366 nan 8.310 nan 0.000 0.510 622 M N 0.451 120.084 119.600 0.055 0.000 2.287 622 M HA 0.182 4.663 4.480 0.001 0.000 0.266 622 M C 1.815 178.148 176.300 0.055 0.000 1.079 622 M CA 0.920 56.279 55.300 0.098 0.000 1.146 622 M CB -0.447 32.208 32.600 0.092 0.000 1.374 622 M HN 0.259 nan 8.290 nan 0.000 0.435 623 L N 0.148 121.342 121.223 -0.048 0.000 2.156 623 L HA -0.182 4.159 4.340 0.001 0.000 0.208 623 L C 2.593 179.448 176.870 -0.025 0.000 1.095 623 L CA 1.114 55.898 54.840 -0.093 0.000 0.770 623 L CB -0.491 41.553 42.059 -0.026 0.000 0.914 623 L HN 0.359 nan 8.230 nan 0.000 0.439 624 Q N 0.538 120.334 119.800 -0.007 0.000 1.975 624 Q HA -0.310 4.031 4.340 0.001 0.000 0.205 624 Q C 1.829 177.783 176.000 -0.076 0.000 0.990 624 Q CA 2.463 58.251 55.803 -0.025 0.000 0.845 624 Q CB -0.217 28.518 28.738 -0.004 0.000 0.913 624 Q HN 0.389 nan 8.270 nan 0.000 0.420 625 D N -0.647 119.727 120.400 -0.044 0.000 2.263 625 D HA -0.135 4.505 4.640 0.001 0.000 0.208 625 D C 1.587 177.794 176.300 -0.154 0.000 0.971 625 D CA 1.094 55.066 54.000 -0.046 0.000 0.867 625 D CB 0.016 40.853 40.800 0.063 0.000 0.929 625 D HN 0.391 nan 8.370 nan 0.000 0.492 626 M N -0.551 118.865 119.600 -0.306 0.000 2.618 626 M HA 0.011 4.492 4.480 0.001 0.000 0.240 626 M C 0.175 176.007 176.300 -0.779 0.000 1.123 626 M CA 0.087 54.967 55.300 -0.699 0.000 1.060 626 M CB -0.034 32.029 32.600 -0.896 0.000 1.535 626 M HN -0.038 nan 8.290 nan 0.000 0.507 627 N N 0.111 118.508 118.700 -0.505 0.000 2.688 627 N HA -0.222 4.519 4.740 0.001 0.000 0.261 627 N C -0.619 174.518 175.510 -0.622 0.000 1.116 627 N CA 0.561 53.344 53.050 -0.445 0.000 0.689 627 N CB -1.500 36.772 38.487 -0.359 0.000 0.882 627 N HN 0.411 nan 8.380 nan 0.000 0.554 628 F N 0.393 120.219 119.950 -0.208 0.000 2.619 628 F HA 0.373 4.900 4.527 0.001 0.000 0.281 628 F C 2.096 177.802 175.800 -0.156 0.000 1.065 628 F CA -0.168 57.677 58.000 -0.258 0.000 1.304 628 F CB -0.007 38.736 39.000 -0.429 0.000 1.059 628 F HN 0.175 nan 8.300 nan 0.000 0.648 629 I N 1.512 122.121 120.570 0.065 0.000 2.091 629 I HA -0.378 3.793 4.170 0.001 0.000 0.239 629 I C 2.013 178.154 176.117 0.040 0.000 1.061 629 I CA 2.489 63.830 61.300 0.067 0.000 1.317 629 I CB -1.012 37.017 38.000 0.047 0.000 1.031 629 I HN 0.333 nan 8.210 nan 0.000 0.401 630 N N 0.742 119.428 118.700 -0.022 0.000 2.109 630 N HA -0.200 4.541 4.740 0.001 0.000 0.188 630 N C 1.759 177.208 175.510 -0.101 0.000 1.034 630 N CA 1.098 54.118 53.050 -0.050 0.000 0.846 630 N CB -0.455 37.993 38.487 -0.063 0.000 1.010 630 N HN 0.154 nan 8.380 nan 0.000 0.425 631 N N -0.110 118.476 118.700 -0.189 0.000 2.242 631 N HA -0.185 4.555 4.740 0.001 0.000 0.191 631 N C 0.211 175.444 175.510 -0.462 0.000 1.005 631 N CA 1.309 54.141 53.050 -0.363 0.000 0.877 631 N CB -0.180 37.994 38.487 -0.521 0.000 0.983 631 N HN 0.535 nan 8.380 nan 0.000 0.439 632 Y N -1.371 118.906 120.300 -0.039 0.000 2.527 632 Y HA 0.279 4.830 4.550 0.001 0.000 0.247 632 Y C 0.118 176.020 175.900 0.003 0.000 1.138 632 Y CA -0.573 57.526 58.100 -0.001 0.000 1.228 632 Y CB 0.671 39.182 38.460 0.085 0.000 1.252 632 Y HN -0.245 nan 8.280 nan 0.000 0.531 633 K N 1.244 121.683 120.400 0.065 0.000 3.257 633 K HA -0.203 4.117 4.320 0.001 0.000 0.270 633 K C -1.015 175.625 176.600 0.067 0.000 0.984 633 K CA 0.221 56.507 56.287 -0.003 0.000 0.739 633 K CB -1.611 30.812 32.500 -0.128 0.000 1.351 633 K HN 0.295 nan 8.250 nan 0.000 0.463 634 I N 1.340 122.005 120.570 0.159 0.000 2.452 634 I HA -0.014 4.157 4.170 0.001 0.000 0.287 634 I C 0.837 177.053 176.117 0.164 0.000 1.079 634 I CA -0.186 61.239 61.300 0.209 0.000 1.387 634 I CB 0.665 38.773 38.000 0.181 0.000 1.404 634 I HN 0.220 nan 8.210 nan 0.000 0.522 635 D N 4.637 125.155 120.400 0.196 0.000 2.455 635 D HA 0.001 4.641 4.640 0.001 0.000 0.241 635 D C 0.697 177.054 176.300 0.095 0.000 1.138 635 D CA 0.029 54.110 54.000 0.135 0.000 0.877 635 D CB 0.923 41.789 40.800 0.110 0.000 1.187 635 D HN 0.601 nan 8.370 nan 0.000 0.451 636 C N 4.316 123.674 119.300 0.096 0.000 2.475 636 C HA 0.062 4.523 4.460 0.001 0.000 0.279 636 C C -0.601 174.450 174.990 0.103 0.000 1.322 636 C CA 0.067 59.145 59.018 0.102 0.000 1.734 636 C CB -1.091 26.715 27.740 0.109 0.000 2.005 636 C HN 0.721 nan 8.230 nan 0.000 0.495 637 P HA -0.060 nan 4.420 nan 0.000 0.222 637 P C 1.476 178.690 177.300 -0.143 0.000 1.147 637 P CA 1.666 64.797 63.100 0.052 0.000 0.790 637 P CB -0.186 31.573 31.700 0.098 0.000 0.780 638 T N -0.591 113.927 114.554 -0.059 0.000 2.814 638 T HA -0.032 4.319 4.350 0.001 0.000 0.254 638 T C 1.624 176.310 174.700 -0.024 0.000 1.037 638 T CA 0.593 62.647 62.100 -0.077 0.000 1.143 638 T CB -0.804 68.028 68.868 -0.061 0.000 0.866 638 T HN -0.008 nan 8.240 nan 0.000 0.431 639 L N 1.752 122.983 121.223 0.014 0.000 2.012 639 L HA 0.038 4.379 4.340 0.001 0.000 0.210 639 L C 2.509 179.464 176.870 0.142 0.000 1.073 639 L CA 2.229 57.105 54.840 0.059 0.000 0.748 639 L CB -0.883 41.218 42.059 0.071 0.000 0.891 639 L HN 0.202 nan 8.230 nan 0.000 0.431 640 A N -0.704 122.187 122.820 0.119 0.000 2.019 640 A HA -0.191 4.130 4.320 0.001 0.000 0.219 640 A C 2.469 180.111 177.584 0.096 0.000 1.164 640 A CA 1.663 53.782 52.037 0.136 0.000 0.644 640 A CB -0.589 18.514 19.000 0.172 0.000 0.805 640 A HN 0.539 nan 8.150 nan 0.000 0.449 641 R N -2.037 118.479 120.500 0.026 0.000 2.073 641 R HA -0.028 4.313 4.340 0.001 0.000 0.229 641 R C 1.923 178.227 176.300 0.006 0.000 1.120 641 R CA 1.357 57.433 56.100 -0.041 0.000 0.967 641 R CB -0.381 29.817 30.300 -0.171 0.000 0.862 641 R HN 0.588 nan 8.270 nan 0.000 0.436 642 F N 0.853 120.746 119.950 -0.095 0.000 2.026 642 F HA -0.343 4.185 4.527 0.001 0.000 0.296 642 F C 2.181 177.944 175.800 -0.062 0.000 1.133 642 F CA 1.680 59.624 58.000 -0.094 0.000 1.188 642 F CB -0.672 38.264 39.000 -0.106 0.000 0.968 642 F HN 0.010 nan 8.300 nan 0.000 0.476 643 C N 0.461 119.857 119.300 0.159 0.000 2.398 643 C HA -0.199 4.262 4.460 0.001 0.000 0.279 643 C C 2.586 177.459 174.990 -0.195 0.000 1.250 643 C CA 0.838 59.870 59.018 0.023 0.000 1.786 643 C CB -1.591 26.257 27.740 0.181 0.000 2.018 643 C HN 0.522 nan 8.230 nan 0.000 0.494 644 L N -0.969 120.167 121.223 -0.145 0.000 2.446 644 L HA 0.126 4.467 4.340 0.001 0.000 0.219 644 L C 2.157 178.900 176.870 -0.213 0.000 1.116 644 L CA 1.251 55.985 54.840 -0.177 0.000 0.844 644 L CB -0.678 41.337 42.059 -0.074 0.000 0.970 644 L HN 0.285 nan 8.230 nan 0.000 0.457 645 M N -1.683 117.770 119.600 -0.244 0.000 2.447 645 M HA 0.021 4.502 4.480 0.001 0.000 0.266 645 M C 2.000 178.121 176.300 -0.299 0.000 1.120 645 M CA 0.889 56.041 55.300 -0.246 0.000 1.166 645 M CB 0.052 32.511 32.600 -0.234 0.000 1.349 645 M HN 0.016 nan 8.290 nan 0.000 0.463 646 V N -0.103 119.553 119.914 -0.430 0.000 2.970 646 V HA -0.151 3.970 4.120 0.001 0.000 0.260 646 V C 1.937 177.957 176.094 -0.123 0.000 1.100 646 V CA 2.064 64.180 62.300 -0.306 0.000 1.122 646 V CB -0.608 30.983 31.823 -0.387 0.000 0.721 646 V HN 0.621 nan 8.190 nan 0.000 0.483 647 K N 1.014 121.190 120.400 -0.374 0.000 2.078 647 K HA -0.056 4.265 4.320 0.001 0.000 0.203 647 K C 2.322 178.818 176.600 -0.174 0.000 1.043 647 K CA 1.444 57.402 56.287 -0.549 0.000 0.960 647 K CB -0.473 31.420 32.500 -1.012 0.000 0.761 647 K HN 0.432 nan 8.250 nan 0.000 0.448 648 K N -0.046 120.253 120.400 -0.168 0.000 2.360 648 K HA -0.094 4.226 4.320 0.001 0.000 0.201 648 K C 1.690 178.283 176.600 -0.011 0.000 1.046 648 K CA 1.549 57.793 56.287 -0.072 0.000 0.940 648 K CB -0.327 32.126 32.500 -0.077 0.000 0.748 648 K HN 0.365 nan 8.250 nan 0.000 0.465 649 G N -0.058 108.724 108.800 -0.032 0.000 2.484 649 G HA2 -0.136 3.825 3.960 0.001 0.000 0.218 649 G HA3 -0.136 3.825 3.960 0.001 0.000 0.218 649 G C 0.105 174.966 174.900 -0.065 0.000 1.130 649 G CA 0.247 45.310 45.100 -0.061 0.000 0.784 649 G HN 0.173 nan 8.290 nan 0.000 0.543 650 Y N 0.120 120.457 120.300 0.061 0.000 2.281 650 Y HA 0.486 5.037 4.550 0.001 0.000 0.337 650 Y C 1.512 177.478 175.900 0.110 0.000 1.304 650 Y CA -0.368 57.807 58.100 0.125 0.000 1.465 650 Y CB 0.754 39.344 38.460 0.217 0.000 1.350 650 Y HN -0.089 nan 8.280 nan 0.000 0.575 651 R N -0.169 120.476 120.500 0.242 0.000 3.149 651 R HA 0.237 4.578 4.340 0.001 0.000 0.213 651 R C -0.811 175.575 176.300 0.145 0.000 1.639 651 R CA -0.639 55.553 56.100 0.153 0.000 0.930 651 R CB 0.150 30.516 30.300 0.111 0.000 2.313 651 R HN 0.542 nan 8.270 nan 0.000 0.533 652 D N 1.125 121.579 120.400 0.090 0.000 2.957 652 D HA 0.262 4.903 4.640 0.001 0.000 0.352 652 D C -2.228 174.096 176.300 0.040 0.000 1.352 652 D CA -1.395 52.646 54.000 0.068 0.000 0.831 652 D CB 0.363 41.194 40.800 0.052 0.000 1.147 652 D HN 0.142 nan 8.370 nan 0.000 0.467 653 P HA 0.296 nan 4.420 nan 0.000 0.282 653 P C -2.022 175.273 177.300 -0.009 0.000 1.287 653 P CA -1.185 61.914 63.100 -0.001 0.000 0.792 653 P CB 0.785 32.461 31.700 -0.041 0.000 1.163 654 P HA -0.173 nan 4.420 nan 0.000 0.213 654 P C 1.478 178.774 177.300 -0.007 0.000 1.170 654 P CA 1.637 64.733 63.100 -0.007 0.000 0.898 654 P CB -0.303 31.392 31.700 -0.009 0.000 0.787 655 Y N -1.376 118.775 120.300 -0.250 0.000 2.389 655 Y HA 0.049 4.600 4.550 0.001 0.000 0.292 655 Y C 1.320 176.947 175.900 -0.455 0.000 1.117 655 Y CA 0.864 58.715 58.100 -0.416 0.000 1.195 655 Y CB -0.663 37.410 38.460 -0.644 0.000 1.076 655 Y HN 0.028 nan 8.280 nan 0.000 0.548 656 H N 2.080 120.886 119.070 -0.440 0.000 2.768 656 H HA 0.207 4.763 4.556 0.001 0.000 0.219 656 H C -0.676 174.592 175.328 -0.101 0.000 1.898 656 H CA -0.028 55.767 56.048 -0.422 0.000 1.313 656 H CB -1.094 28.329 29.762 -0.565 0.000 1.701 656 H HN 0.441 nan 8.280 nan 0.000 0.534 657 N N -0.719 117.970 118.700 -0.019 0.000 2.457 657 N HA -0.061 4.680 4.740 0.001 0.000 0.290 657 N C 1.202 176.666 175.510 -0.078 0.000 1.232 657 N CA -0.991 52.105 53.050 0.077 0.000 0.852 657 N CB 0.659 39.173 38.487 0.045 0.000 1.313 657 N HN 0.290 nan 8.380 nan 0.000 0.522 658 W N 0.548 121.726 121.300 -0.203 0.000 2.331 658 W HA -0.233 4.428 4.660 0.001 0.000 0.291 658 W C 0.878 177.219 176.519 -0.298 0.000 1.214 658 W CA 1.271 58.309 57.345 -0.510 0.000 1.228 658 W CB -0.057 29.270 29.460 -0.222 0.000 1.135 658 W HN 0.461 nan 8.180 nan 0.000 0.537 659 M N 0.697 120.057 119.600 -0.400 0.000 2.149 659 M HA -0.217 4.264 4.480 0.001 0.000 0.261 659 M C 2.169 178.277 176.300 -0.319 0.000 1.064 659 M CA 2.402 57.473 55.300 -0.382 0.000 1.102 659 M CB -1.469 31.050 32.600 -0.133 0.000 1.369 659 M HN 0.207 nan 8.290 nan 0.000 0.408 660 H N -0.351 118.492 119.070 -0.379 0.000 2.357 660 H HA 0.077 4.634 4.556 0.001 0.000 0.301 660 H C 1.732 176.861 175.328 -0.332 0.000 1.082 660 H CA 2.236 58.086 56.048 -0.330 0.000 1.342 660 H CB -0.346 29.088 29.762 -0.547 0.000 1.389 660 H HN 0.305 nan 8.280 nan 0.000 0.511 661 A N 0.488 122.840 122.820 -0.779 0.000 1.858 661 A HA -0.139 4.182 4.320 0.001 0.000 0.216 661 A C 2.496 179.605 177.584 -0.791 0.000 1.190 661 A CA 1.511 53.055 52.037 -0.822 0.000 0.617 661 A CB -1.467 16.912 19.000 -1.035 0.000 0.827 661 A HN 0.611 nan 8.150 nan 0.000 0.443 662 F N 2.046 121.191 119.950 -1.340 0.000 2.069 662 F HA -0.237 4.291 4.527 0.001 0.000 0.298 662 F C 2.510 178.090 175.800 -0.368 0.000 1.113 662 F CA 2.342 59.817 58.000 -0.875 0.000 1.214 662 F CB -0.432 38.078 39.000 -0.818 0.000 0.978 662 F HN 0.250 nan 8.300 nan 0.000 0.474 663 S N 0.206 115.838 115.700 -0.113 0.000 2.402 663 S HA -0.202 4.269 4.470 0.001 0.000 0.233 663 S C 2.009 176.522 174.600 -0.145 0.000 1.030 663 S CA 1.359 59.488 58.200 -0.117 0.000 1.003 663 S CB -1.035 62.173 63.200 0.014 0.000 0.813 663 S HN 0.327 nan 8.310 nan 0.000 0.477 664 V N 1.524 121.303 119.914 -0.225 0.000 2.591 664 V HA -0.081 4.040 4.120 0.001 0.000 0.249 664 V C 2.476 178.484 176.094 -0.142 0.000 1.053 664 V CA 1.664 63.870 62.300 -0.156 0.000 1.068 664 V CB -0.635 31.042 31.823 -0.243 0.000 0.689 664 V HN 0.470 nan 8.190 nan 0.000 0.462 665 S N -1.127 114.392 115.700 -0.302 0.000 2.357 665 S HA -0.190 4.281 4.470 0.001 0.000 0.221 665 S C 1.995 176.459 174.600 -0.227 0.000 1.031 665 S CA 1.243 59.172 58.200 -0.452 0.000 0.982 665 S CB -0.478 62.303 63.200 -0.699 0.000 0.853 665 S HN 0.735 nan 8.310 nan 0.000 0.458 666 H N 0.828 119.665 119.070 -0.388 0.000 2.289 666 H HA -0.159 4.397 4.556 0.001 0.000 0.294 666 H C 1.983 177.344 175.328 0.054 0.000 1.095 666 H CA 1.924 57.804 56.048 -0.281 0.000 1.256 666 H CB -0.730 28.672 29.762 -0.600 0.000 1.359 666 H HN 0.406 nan 8.280 nan 0.000 0.487 667 F N 0.864 120.936 119.950 0.204 0.000 2.202 667 F HA -0.210 4.318 4.527 0.001 0.000 0.301 667 F C 3.031 178.932 175.800 0.168 0.000 1.082 667 F CA 1.468 59.606 58.000 0.231 0.000 1.313 667 F CB -0.892 38.195 39.000 0.145 0.000 1.024 667 F HN 0.348 nan 8.300 nan 0.000 0.495 668 C N -0.293 119.121 119.300 0.189 0.000 2.455 668 C HA -0.238 4.223 4.460 0.001 0.000 0.281 668 C C 2.723 177.802 174.990 0.148 0.000 1.237 668 C CA 1.437 60.536 59.018 0.134 0.000 1.726 668 C CB -1.605 26.220 27.740 0.141 0.000 2.068 668 C HN 0.651 nan 8.230 nan 0.000 0.466 669 Y N 1.673 122.050 120.300 0.128 0.000 2.030 669 Y HA -0.265 4.286 4.550 0.001 0.000 0.272 669 Y C 2.126 178.013 175.900 -0.022 0.000 1.185 669 Y CA 2.478 60.640 58.100 0.103 0.000 1.120 669 Y CB -0.687 37.813 38.460 0.066 0.000 0.955 669 Y HN 0.376 nan 8.280 nan 0.000 0.495 670 L N -0.167 121.027 121.223 -0.048 0.000 1.944 670 L HA -0.331 4.009 4.340 0.001 0.000 0.218 670 L C 2.655 179.327 176.870 -0.330 0.000 1.075 670 L CA 2.062 56.762 54.840 -0.234 0.000 0.767 670 L CB -1.240 40.732 42.059 -0.145 0.000 0.890 670 L HN 0.402 nan 8.230 nan 0.000 0.434 671 L N -1.102 119.945 121.223 -0.292 0.000 2.085 671 L HA -0.367 3.974 4.340 0.001 0.000 0.218 671 L C 2.674 179.433 176.870 -0.186 0.000 1.080 671 L CA 2.070 56.770 54.840 -0.233 0.000 0.776 671 L CB -0.769 41.153 42.059 -0.229 0.000 0.891 671 L HN 0.338 nan 8.230 nan 0.000 0.437 672 Y N 0.711 120.865 120.300 -0.245 0.000 2.097 672 Y HA -0.294 4.257 4.550 0.001 0.000 0.282 672 Y C 2.589 178.346 175.900 -0.237 0.000 1.152 672 Y CA 1.624 59.609 58.100 -0.193 0.000 1.136 672 Y CB 0.005 38.373 38.460 -0.153 0.000 0.975 672 Y HN 0.022 nan 8.280 nan 0.000 0.498 673 K N 0.896 121.192 120.400 -0.173 0.000 1.978 673 K HA -0.186 4.135 4.320 0.001 0.000 0.221 673 K C 1.697 178.125 176.600 -0.287 0.000 1.036 673 K CA 1.640 57.777 56.287 -0.250 0.000 0.996 673 K CB -1.368 30.965 32.500 -0.277 0.000 0.755 673 K HN 0.527 nan 8.250 nan 0.000 0.445 674 N N 1.380 119.864 118.700 -0.360 0.000 2.144 674 N HA -0.208 4.533 4.740 0.001 0.000 0.195 674 N C 1.729 177.118 175.510 -0.201 0.000 1.006 674 N CA 1.375 54.191 53.050 -0.389 0.000 0.880 674 N CB -0.251 37.698 38.487 -0.897 0.000 1.018 674 N HN 0.218 nan 8.380 nan 0.000 0.443 675 L N 0.516 121.634 121.223 -0.175 0.000 2.590 675 L HA 0.139 4.480 4.340 0.001 0.000 0.227 675 L C -0.254 176.616 176.870 -0.000 0.000 1.099 675 L CA 0.187 54.986 54.840 -0.070 0.000 0.872 675 L CB -0.291 41.614 42.059 -0.256 0.000 1.088 675 L HN 0.116 nan 8.230 nan 0.000 0.479 676 E N 0.583 120.695 120.200 -0.147 0.000 2.291 676 E HA -0.223 4.127 4.350 0.001 0.000 0.181 676 E C 0.763 177.327 176.600 -0.060 0.000 1.480 676 E CA -0.084 56.192 56.400 -0.207 0.000 0.674 676 E CB -1.687 27.946 29.700 -0.112 0.000 1.108 676 E HN 0.379 nan 8.360 nan 0.000 0.357 677 L N 0.213 121.338 121.223 -0.163 0.000 2.353 677 L HA -0.145 4.196 4.340 0.001 0.000 0.220 677 L C 2.380 179.329 176.870 0.131 0.000 1.133 677 L CA 1.843 56.737 54.840 0.090 0.000 0.798 677 L CB -0.450 41.617 42.059 0.014 0.000 0.922 677 L HN 0.429 nan 8.230 nan 0.000 0.445 678 T N -1.642 112.859 114.554 -0.088 0.000 2.946 678 T HA -0.131 4.220 4.350 0.001 0.000 0.271 678 T C 1.502 176.178 174.700 -0.040 0.000 1.104 678 T CA 1.153 63.226 62.100 -0.045 0.000 1.114 678 T CB -0.319 68.469 68.868 -0.133 0.000 0.867 678 T HN 0.367 nan 8.240 nan 0.000 0.513 679 N N 0.243 118.873 118.700 -0.116 0.000 2.415 679 N HA 0.079 4.820 4.740 0.001 0.000 0.176 679 N C 0.999 176.290 175.510 -0.364 0.000 1.042 679 N CA 0.667 53.527 53.050 -0.316 0.000 0.902 679 N CB -0.053 38.104 38.487 -0.549 0.000 0.986 679 N HN 0.551 nan 8.380 nan 0.000 0.447 680 Y N 0.317 120.714 120.300 0.162 0.000 2.464 680 Y HA 0.356 4.907 4.550 0.001 0.000 0.288 680 Y C 0.890 176.860 175.900 0.117 0.000 1.133 680 Y CA -0.184 58.097 58.100 0.302 0.000 1.223 680 Y CB 0.112 38.793 38.460 0.368 0.000 1.187 680 Y HN -0.189 nan 8.280 nan 0.000 0.539 681 L N 0.017 121.344 121.223 0.173 0.000 2.303 681 L HA 0.486 4.827 4.340 0.001 0.000 0.266 681 L C -0.430 176.511 176.870 0.118 0.000 1.011 681 L CA -1.290 53.531 54.840 -0.032 0.000 0.818 681 L CB 1.432 43.478 42.059 -0.022 0.000 1.326 681 L HN -0.066 nan 8.230 nan 0.000 0.435 682 E N -0.162 120.136 120.200 0.165 0.000 2.354 682 E HA 0.039 4.390 4.350 0.001 0.000 0.269 682 E C -0.471 176.275 176.600 0.243 0.000 1.036 682 E CA -0.406 56.115 56.400 0.202 0.000 0.876 682 E CB 1.047 30.877 29.700 0.216 0.000 1.009 682 E HN 0.529 nan 8.360 nan 0.000 0.416 683 D N 1.533 122.094 120.400 0.268 0.000 2.203 683 D HA -0.198 4.443 4.640 0.001 0.000 0.199 683 D C 1.426 178.044 176.300 0.530 0.000 0.997 683 D CA 0.948 55.200 54.000 0.420 0.000 0.863 683 D CB 0.050 41.055 40.800 0.340 0.000 0.928 683 D HN 0.465 nan 8.370 nan 0.000 0.458 684 I N 0.446 121.253 120.570 0.397 0.000 2.394 684 I HA -0.240 3.930 4.170 0.001 0.000 0.251 684 I C 1.722 177.965 176.117 0.210 0.000 1.136 684 I CA 1.229 62.709 61.300 0.299 0.000 1.425 684 I CB 0.056 38.155 38.000 0.164 0.000 1.079 684 I HN 0.066 nan 8.210 nan 0.000 0.425 685 E N 0.906 121.228 120.200 0.203 0.000 2.017 685 E HA -0.228 4.123 4.350 0.001 0.000 0.193 685 E C 2.108 178.817 176.600 0.181 0.000 0.997 685 E CA 1.599 58.091 56.400 0.154 0.000 0.804 685 E CB -0.192 29.597 29.700 0.148 0.000 0.757 685 E HN 0.481 nan 8.360 nan 0.000 0.448 686 I N 0.602 121.335 120.570 0.273 0.000 2.623 686 I HA -0.253 3.918 4.170 0.001 0.000 0.261 686 I C 2.088 178.377 176.117 0.286 0.000 1.204 686 I CA 1.017 62.525 61.300 0.348 0.000 1.444 686 I CB -0.221 38.102 38.000 0.538 0.000 1.094 686 I HN 0.123 nan 8.210 nan 0.000 0.451 687 F N 0.940 120.829 119.950 -0.102 0.000 2.262 687 F HA -0.007 4.521 4.527 0.001 0.000 0.292 687 F C 2.559 178.279 175.800 -0.133 0.000 1.081 687 F CA 0.748 58.465 58.000 -0.471 0.000 1.355 687 F CB 0.124 38.725 39.000 -0.665 0.000 1.069 687 F HN -0.010 nan 8.300 nan 0.000 0.506 688 A N 0.518 123.266 122.820 -0.121 0.000 1.930 688 A HA -0.159 4.162 4.320 0.001 0.000 0.217 688 A C 1.933 179.500 177.584 -0.028 0.000 1.175 688 A CA 1.395 53.330 52.037 -0.170 0.000 0.627 688 A CB -1.014 17.913 19.000 -0.122 0.000 0.815 688 A HN 0.501 nan 8.150 nan 0.000 0.443 689 L N -1.423 119.833 121.223 0.055 0.000 1.989 689 L HA -0.124 4.217 4.340 0.001 0.000 0.211 689 L C 2.246 179.188 176.870 0.120 0.000 1.071 689 L CA 2.455 57.345 54.840 0.083 0.000 0.749 689 L CB -0.660 41.469 42.059 0.118 0.000 0.890 689 L HN 0.432 nan 8.230 nan 0.000 0.431 690 F N -0.310 119.664 119.950 0.040 0.000 2.095 690 F HA -0.261 4.266 4.527 0.001 0.000 0.298 690 F C 2.203 178.048 175.800 0.075 0.000 1.104 690 F CA 1.641 59.689 58.000 0.081 0.000 1.232 690 F CB -0.068 39.019 39.000 0.144 0.000 0.987 690 F HN 0.062 nan 8.300 nan 0.000 0.475 691 I N 0.069 120.792 120.570 0.255 0.000 2.286 691 I HA -0.254 3.916 4.170 0.001 0.000 0.248 691 I C 2.417 178.634 176.117 0.167 0.000 1.115 691 I CA 1.382 62.803 61.300 0.202 0.000 1.392 691 I CB -1.780 36.228 38.000 0.014 0.000 1.065 691 I HN 0.159 nan 8.210 nan 0.000 0.418 692 S N 0.474 116.232 115.700 0.096 0.000 2.368 692 S HA -0.166 4.305 4.470 0.001 0.000 0.224 692 S C 2.252 176.895 174.600 0.073 0.000 1.029 692 S CA 1.394 59.654 58.200 0.100 0.000 0.988 692 S CB -0.702 62.526 63.200 0.048 0.000 0.838 692 S HN 0.462 nan 8.310 nan 0.000 0.462 693 C N 1.961 121.225 119.300 -0.061 0.000 2.411 693 C HA -0.027 4.433 4.460 0.001 0.000 0.279 693 C C 2.670 177.672 174.990 0.021 0.000 1.288 693 C CA 0.736 59.647 59.018 -0.179 0.000 1.764 693 C CB -1.374 26.189 27.740 -0.295 0.000 1.974 693 C HN 0.567 nan 8.230 nan 0.000 0.498 694 M N -0.392 119.226 119.600 0.031 0.000 2.319 694 M HA -0.106 4.375 4.480 0.001 0.000 0.265 694 M C 1.722 178.256 176.300 0.390 0.000 1.068 694 M CA 1.425 56.846 55.300 0.201 0.000 1.118 694 M CB -0.320 32.460 32.600 0.299 0.000 1.395 694 M HN 0.537 nan 8.290 nan 0.000 0.435 695 C N -1.590 117.917 119.300 0.345 0.000 3.403 695 C HA 0.147 4.608 4.460 0.001 0.000 0.317 695 C C 2.276 177.377 174.990 0.186 0.000 1.346 695 C CA -0.373 58.816 59.018 0.285 0.000 1.743 695 C CB -1.396 26.443 27.740 0.165 0.000 2.308 695 C HN 0.583 nan 8.230 nan 0.000 0.675 696 H N 1.344 120.470 119.070 0.093 0.000 2.478 696 H HA -0.168 4.389 4.556 0.001 0.000 0.294 696 H C -0.202 174.981 175.328 -0.241 0.000 1.125 696 H CA 1.913 57.977 56.048 0.027 0.000 1.225 696 H CB -0.570 29.217 29.762 0.042 0.000 1.360 696 H HN 0.381 nan 8.280 nan 0.000 0.519 697 D N 0.704 120.695 120.400 -0.681 0.000 2.891 697 D HA 0.257 4.898 4.640 0.001 0.000 0.312 697 D C 0.128 175.959 176.300 -0.781 0.000 1.354 697 D CA -0.343 53.059 54.000 -0.997 0.000 0.838 697 D CB 0.189 40.841 40.800 -0.247 0.000 1.117 697 D HN 0.234 nan 8.370 nan 0.000 0.473 698 L N 0.699 121.487 121.223 -0.724 0.000 2.456 698 L HA 0.015 4.356 4.340 0.001 0.000 0.272 698 L C 1.081 177.826 176.870 -0.209 0.000 1.189 698 L CA 0.324 54.724 54.840 -0.733 0.000 0.846 698 L CB 0.434 42.236 42.059 -0.427 0.000 1.111 698 L HN 0.051 nan 8.230 nan 0.000 0.475 699 D N 0.440 120.711 120.400 -0.216 0.000 2.955 699 D HA -0.287 4.354 4.640 0.001 0.000 0.226 699 D C 0.355 176.804 176.300 0.247 0.000 1.178 699 D CA 1.063 55.125 54.000 0.103 0.000 0.808 699 D CB -1.040 39.890 40.800 0.217 0.000 1.099 699 D HN 0.672 nan 8.370 nan 0.000 0.421 700 H N -0.313 118.813 119.070 0.093 0.000 2.757 700 H HA 0.293 4.850 4.556 0.001 0.000 0.370 700 H C 1.266 176.654 175.328 0.101 0.000 1.172 700 H CA -0.118 56.022 56.048 0.154 0.000 1.426 700 H CB 0.525 30.312 29.762 0.042 0.000 1.438 700 H HN 0.035 nan 8.280 nan 0.000 0.612 701 R N 1.492 122.247 120.500 0.424 0.000 3.151 701 R HA 0.343 4.684 4.340 0.001 0.000 0.231 701 R C -0.448 175.849 176.300 -0.005 0.000 1.511 701 R CA -0.845 55.344 56.100 0.147 0.000 1.047 701 R CB 0.398 30.770 30.300 0.119 0.000 1.565 701 R HN 0.679 nan 8.270 nan 0.000 0.513 702 G N 1.012 109.817 108.800 0.009 0.000 2.327 702 G HA2 0.347 4.308 3.960 0.001 0.000 0.302 702 G HA3 0.347 4.308 3.960 0.001 0.000 0.302 702 G C -0.360 174.581 174.900 0.070 0.000 1.113 702 G CA -0.208 44.888 45.100 -0.008 0.000 0.921 702 G HN 0.321 nan 8.290 nan 0.000 0.425 703 T N 2.180 116.807 114.554 0.122 0.000 2.904 703 T HA 0.379 4.730 4.350 0.001 0.000 0.290 703 T C 0.907 175.738 174.700 0.217 0.000 1.018 703 T CA -0.257 61.956 62.100 0.189 0.000 1.075 703 T CB 1.338 70.357 68.868 0.252 0.000 0.986 703 T HN 0.819 nan 8.240 nan 0.000 0.523 704 N N 0.380 119.211 118.700 0.218 0.000 2.601 704 N HA -0.107 4.634 4.740 0.001 0.000 0.342 704 N C -1.130 174.390 175.510 0.017 0.000 0.589 704 N CA -0.704 52.508 53.050 0.271 0.000 1.513 704 N CB -0.020 38.590 38.487 0.206 0.000 1.677 704 N HN 0.539 nan 8.380 nan 0.000 1.796 705 N N 1.184 119.752 118.700 -0.220 0.000 3.983 705 N HA -0.205 4.535 4.740 0.001 0.000 0.316 705 N C 0.509 175.525 175.510 -0.823 0.000 2.150 705 N CA 1.215 54.014 53.050 -0.418 0.000 3.135 705 N CB -0.299 38.081 38.487 -0.180 0.000 0.254 705 N HN 0.606 nan 8.380 nan 0.000 0.873 706 S N 1.257 116.474 115.700 -0.805 0.000 2.821 706 S HA -0.335 4.136 4.470 0.001 0.000 0.364 706 S C 0.056 174.255 174.600 -0.669 0.000 1.615 706 S CA 2.386 60.198 58.200 -0.647 0.000 1.180 706 S CB -0.943 62.096 63.200 -0.267 0.000 1.129 706 S HN 0.730 nan 8.310 nan 0.000 0.503 707 F N -0.666 119.248 119.950 -0.060 0.000 2.115 707 F HA -0.154 4.374 4.527 0.001 0.000 0.478 707 F C 0.690 176.451 175.800 -0.065 0.000 1.242 707 F CA 0.586 58.534 58.000 -0.086 0.000 1.540 707 F CB -1.128 37.775 39.000 -0.163 0.000 2.457 707 F HN 0.212 nan 8.300 nan 0.000 0.726 708 Q N 1.040 120.901 119.800 0.101 0.000 2.500 708 Q HA 0.122 4.463 4.340 0.001 0.000 0.213 708 Q C 0.848 176.870 176.000 0.035 0.000 0.974 708 Q CA 1.635 57.466 55.803 0.047 0.000 0.918 708 Q CB 0.313 29.074 28.738 0.039 0.000 0.980 708 Q HN 0.617 nan 8.270 nan 0.000 0.505 709 V N -4.117 115.827 119.914 0.051 0.000 5.995 709 V HA 0.329 4.450 4.120 0.001 0.000 0.094 709 V C -0.265 175.765 176.094 -0.107 0.000 1.062 709 V CA 0.172 62.450 62.300 -0.037 0.000 0.844 709 V CB 0.397 32.161 31.823 -0.098 0.000 1.188 709 V HN 0.126 nan 8.190 nan 0.000 0.695 710 A N -0.677 122.019 122.820 -0.206 0.000 2.431 710 A HA 0.040 4.361 4.320 0.001 0.000 0.220 710 A C 1.085 178.425 177.584 -0.407 0.000 2.883 710 A CA 1.046 52.810 52.037 -0.454 0.000 1.564 710 A CB -1.137 17.355 19.000 -0.846 0.000 0.160 710 A HN 0.724 nan 8.150 nan 0.000 0.543 711 S N -0.295 115.164 115.700 -0.401 0.000 2.575 711 S HA 0.228 4.698 4.470 0.001 0.000 0.230 711 S C 0.808 175.390 174.600 -0.030 0.000 1.062 711 S CA 0.001 58.006 58.200 -0.324 0.000 0.913 711 S CB 0.216 63.078 63.200 -0.563 0.000 0.837 711 S HN 0.380 nan 8.310 nan 0.000 0.487 712 K N 3.436 123.812 120.400 -0.039 0.000 3.000 712 K HA 0.371 4.692 4.320 0.001 0.000 0.239 712 K C -0.634 176.010 176.600 0.074 0.000 1.269 712 K CA 0.023 56.326 56.287 0.026 0.000 1.220 712 K CB 0.101 32.608 32.500 0.012 0.000 1.645 712 K HN 0.400 nan 8.250 nan 0.000 0.423 713 S N -1.199 114.576 115.700 0.125 0.000 2.579 713 S HA 0.539 5.010 4.470 0.001 0.000 0.272 713 S C -0.530 174.219 174.600 0.248 0.000 1.141 713 S CA -0.907 57.426 58.200 0.223 0.000 0.843 713 S CB 2.234 65.624 63.200 0.317 0.000 1.122 713 S HN -0.058 nan 8.310 nan 0.000 0.468 714 V N 2.154 122.209 119.914 0.234 0.000 2.588 714 V HA 0.370 4.491 4.120 0.001 0.000 0.304 714 V C 0.681 176.731 176.094 -0.074 0.000 1.042 714 V CA -0.664 61.691 62.300 0.091 0.000 0.877 714 V CB 1.584 33.420 31.823 0.023 0.000 0.996 714 V HN 0.888 nan 8.190 nan 0.000 0.425 715 L N 4.505 125.548 121.223 -0.300 0.000 2.265 715 L HA 0.005 4.346 4.340 0.001 0.000 0.215 715 L C 2.127 178.579 176.870 -0.696 0.000 1.117 715 L CA 2.111 56.472 54.840 -0.798 0.000 0.782 715 L CB -0.255 41.235 42.059 -0.950 0.000 0.914 715 L HN 0.835 nan 8.230 nan 0.000 0.441 716 A N -1.412 121.161 122.820 -0.412 0.000 2.223 716 A HA 0.422 4.742 4.320 0.001 0.000 0.222 716 A C 1.707 179.223 177.584 -0.113 0.000 1.317 716 A CA 0.797 52.712 52.037 -0.202 0.000 0.985 716 A CB -0.840 18.145 19.000 -0.024 0.000 0.858 716 A HN 0.404 nan 8.150 nan 0.000 0.496 717 A N -1.602 121.112 122.820 -0.176 0.000 2.456 717 A HA 0.497 4.818 4.320 0.001 0.000 0.237 717 A C 1.259 178.807 177.584 -0.059 0.000 1.217 717 A CA 0.643 52.646 52.037 -0.056 0.000 0.962 717 A CB -0.026 18.994 19.000 0.033 0.000 1.079 717 A HN 0.634 nan 8.150 nan 0.000 0.536 718 L N -2.579 118.518 121.223 -0.210 0.000 3.076 718 L HA 0.419 4.760 4.340 0.001 0.000 0.173 718 L C 1.046 177.980 176.870 0.107 0.000 1.343 718 L CA 0.118 54.898 54.840 -0.101 0.000 0.894 718 L CB -0.290 41.499 42.059 -0.450 0.000 1.372 718 L HN 0.294 nan 8.230 nan 0.000 0.565 719 Y N 2.030 122.224 120.300 -0.177 0.000 3.301 719 Y HA -0.002 4.549 4.550 0.001 0.000 0.363 719 Y C 0.529 176.434 175.900 0.008 0.000 1.006 719 Y CA 0.056 58.131 58.100 -0.043 0.000 2.097 719 Y CB -0.311 37.988 38.460 -0.267 0.000 2.326 719 Y HN 0.613 nan 8.280 nan 0.000 0.399 720 S N -1.831 113.989 115.700 0.200 0.000 5.434 720 S HA 0.070 4.541 4.470 0.001 0.000 0.173 720 S C 0.007 174.678 174.600 0.118 0.000 1.359 720 S CA -0.128 58.145 58.200 0.121 0.000 0.940 720 S CB 0.364 63.591 63.200 0.045 0.000 1.954 720 S HN 0.227 nan 8.310 nan 0.000 0.585 721 S N 0.458 116.208 115.700 0.083 0.000 2.690 721 S HA 0.827 5.298 4.470 0.001 0.000 0.285 721 S C 0.201 174.835 174.600 0.056 0.000 1.135 721 S CA 0.475 58.719 58.200 0.073 0.000 1.020 721 S CB 1.677 64.914 63.200 0.061 0.000 1.159 721 S HN 0.748 nan 8.310 nan 0.000 0.534 722 E N -1.501 118.723 120.200 0.040 0.000 2.186 722 E HA 0.275 4.626 4.350 0.001 0.000 0.244 722 E C 0.485 177.091 176.600 0.010 0.000 1.089 722 E CA 0.731 57.143 56.400 0.020 0.000 1.667 722 E CB 0.315 30.014 29.700 -0.001 0.000 3.574 722 E HN 1.041 nan 8.360 nan 0.000 1.014 723 G N -0.393 108.415 108.800 0.012 0.000 3.290 723 G HA2 -0.025 3.936 3.960 0.001 0.000 0.220 723 G HA3 -0.025 3.936 3.960 0.001 0.000 0.220 723 G C 0.460 175.362 174.900 0.005 0.000 0.940 723 G CA 0.416 45.521 45.100 0.008 0.000 0.884 723 G HN 0.308 nan 8.290 nan 0.000 0.649 724 S N -1.956 113.749 115.700 0.008 0.000 2.769 724 S HA -0.349 4.121 4.470 0.001 0.000 0.264 724 S C 2.277 176.865 174.600 -0.020 0.000 1.288 724 S CA 2.071 60.271 58.200 -0.000 0.000 1.378 724 S CB -1.479 61.719 63.200 -0.003 0.000 1.702 724 S HN 1.414 nan 8.310 nan 0.000 0.656 725 V N 0.648 120.546 119.914 -0.027 0.000 2.277 725 V HA -0.328 3.793 4.120 0.001 0.000 0.253 725 V C 2.101 178.149 176.094 -0.077 0.000 1.067 725 V CA 2.860 65.134 62.300 -0.044 0.000 1.047 725 V CB -0.652 31.141 31.823 -0.049 0.000 0.649 725 V HN 0.684 nan 8.190 nan 0.000 0.447 726 M N -0.434 119.097 119.600 -0.114 0.000 2.236 726 M HA -0.088 4.393 4.480 0.001 0.000 0.266 726 M C 2.176 178.277 176.300 -0.332 0.000 1.070 726 M CA 1.458 56.610 55.300 -0.246 0.000 1.137 726 M CB -0.051 32.383 32.600 -0.276 0.000 1.378 726 M HN 0.266 nan 8.290 nan 0.000 0.426 727 E N -0.013 120.125 120.200 -0.103 0.000 2.153 727 E HA -0.182 4.169 4.350 0.001 0.000 0.194 727 E C 1.927 178.546 176.600 0.031 0.000 0.988 727 E CA 1.126 57.550 56.400 0.040 0.000 0.811 727 E CB -0.217 29.523 29.700 0.066 0.000 0.746 727 E HN 0.402 nan 8.360 nan 0.000 0.466 728 R N -0.689 119.813 120.500 0.004 0.000 2.115 728 R HA -0.136 4.204 4.340 0.001 0.000 0.230 728 R C 2.044 178.401 176.300 0.094 0.000 1.111 728 R CA 1.237 57.377 56.100 0.067 0.000 0.976 728 R CB -0.134 30.189 30.300 0.038 0.000 0.870 728 R HN 0.277 nan 8.270 nan 0.000 0.445 729 H N -0.656 118.325 119.070 -0.149 0.000 2.395 729 H HA -0.051 4.506 4.556 0.001 0.000 0.299 729 H C 1.394 176.621 175.328 -0.169 0.000 1.070 729 H CA 2.019 57.943 56.048 -0.206 0.000 1.356 729 H CB 0.043 29.604 29.762 -0.335 0.000 1.401 729 H HN 0.363 nan 8.280 nan 0.000 0.524 730 H N -1.849 117.158 119.070 -0.104 0.000 2.428 730 H HA -0.029 4.528 4.556 0.001 0.000 0.296 730 H C 1.663 176.950 175.328 -0.069 0.000 1.062 730 H CA 0.894 56.843 56.048 -0.164 0.000 1.350 730 H CB -0.058 29.658 29.762 -0.077 0.000 1.403 730 H HN 0.356 nan 8.280 nan 0.000 0.533 731 F N 1.693 121.638 119.950 -0.007 0.000 2.146 731 F HA -0.053 4.475 4.527 0.001 0.000 0.298 731 F C 2.346 178.112 175.800 -0.057 0.000 1.096 731 F CA 1.046 59.036 58.000 -0.016 0.000 1.275 731 F CB -0.510 38.478 39.000 -0.020 0.000 1.008 731 F HN 0.085 nan 8.300 nan 0.000 0.480 732 A N 0.123 122.820 122.820 -0.205 0.000 1.929 732 A HA -0.122 4.198 4.320 0.001 0.000 0.216 732 A C 2.162 179.531 177.584 -0.358 0.000 1.176 732 A CA 1.251 53.078 52.037 -0.350 0.000 0.628 732 A CB -0.646 18.289 19.000 -0.108 0.000 0.816 732 A HN 0.471 nan 8.150 nan 0.000 0.444 733 Q N -0.309 119.272 119.800 -0.365 0.000 1.993 733 Q HA -0.125 4.216 4.340 0.001 0.000 0.202 733 Q C 2.467 178.297 176.000 -0.283 0.000 0.984 733 Q CA 1.770 57.358 55.803 -0.357 0.000 0.837 733 Q CB -0.955 27.535 28.738 -0.413 0.000 0.902 733 Q HN 0.611 nan 8.270 nan 0.000 0.423 734 A N 0.903 123.579 122.820 -0.239 0.000 2.042 734 A HA -0.191 4.129 4.320 0.001 0.000 0.222 734 A C 1.953 179.424 177.584 -0.188 0.000 1.167 734 A CA 1.266 53.204 52.037 -0.165 0.000 0.649 734 A CB -0.477 18.491 19.000 -0.053 0.000 0.809 734 A HN 0.270 nan 8.150 nan 0.000 0.457 735 I N -0.462 119.906 120.570 -0.338 0.000 2.333 735 I HA -0.120 4.051 4.170 0.001 0.000 0.246 735 I C 2.873 178.876 176.117 -0.189 0.000 1.106 735 I CA 1.004 62.121 61.300 -0.306 0.000 1.411 735 I CB -1.593 36.126 38.000 -0.467 0.000 1.082 735 I HN 0.339 nan 8.210 nan 0.000 0.420 736 A N 0.841 123.537 122.820 -0.207 0.000 2.076 736 A HA -0.160 4.161 4.320 0.001 0.000 0.220 736 A C 2.308 179.794 177.584 -0.164 0.000 1.160 736 A CA 1.316 53.248 52.037 -0.174 0.000 0.653 736 A CB -0.629 18.252 19.000 -0.199 0.000 0.801 736 A HN 0.425 nan 8.150 nan 0.000 0.455 737 I N -0.946 119.530 120.570 -0.156 0.000 2.235 737 I HA -0.170 4.001 4.170 0.001 0.000 0.241 737 I C 2.199 178.277 176.117 -0.065 0.000 1.085 737 I CA 0.873 62.093 61.300 -0.133 0.000 1.378 737 I CB -0.578 37.320 38.000 -0.170 0.000 1.076 737 I HN 0.212 nan 8.210 nan 0.000 0.415 738 L N 1.081 122.298 121.223 -0.010 0.000 2.263 738 L HA -0.210 4.130 4.340 0.001 0.000 0.216 738 L C 1.641 178.494 176.870 -0.028 0.000 1.111 738 L CA 1.137 55.984 54.840 0.011 0.000 0.773 738 L CB -0.628 41.457 42.059 0.044 0.000 0.906 738 L HN 0.350 nan 8.230 nan 0.000 0.439 739 N N -1.338 117.324 118.700 -0.064 0.000 2.336 739 N HA 0.024 4.765 4.740 0.001 0.000 0.189 739 N C 0.385 175.772 175.510 -0.206 0.000 1.113 739 N CA 0.238 53.240 53.050 -0.079 0.000 0.858 739 N CB 0.206 38.668 38.487 -0.042 0.000 0.970 739 N HN 0.133 nan 8.380 nan 0.000 0.471 740 T N -0.379 114.055 114.554 -0.199 0.000 2.899 740 T HA 0.107 4.457 4.350 0.001 0.000 0.284 740 T C -0.110 174.482 174.700 -0.179 0.000 1.004 740 T CA -0.324 61.628 62.100 -0.247 0.000 1.043 740 T CB 0.983 69.742 68.868 -0.182 0.000 1.013 740 T HN 0.129 nan 8.240 nan 0.000 0.518 741 H N 0.288 119.228 119.070 -0.217 0.000 3.004 741 H HA 0.345 4.902 4.556 0.001 0.000 0.316 741 H C 1.487 176.741 175.328 -0.122 0.000 1.014 741 H CA 1.435 57.400 56.048 -0.138 0.000 1.454 741 H CB 0.068 29.764 29.762 -0.111 0.000 1.472 741 H HN 0.939 nan 8.280 nan 0.000 0.571 742 G N 2.775 111.600 108.800 0.042 0.000 2.225 742 G HA2 -0.332 3.629 3.960 0.001 0.000 0.267 742 G HA3 -0.332 3.629 3.960 0.001 0.000 0.267 742 G C 0.783 175.640 174.900 -0.071 0.000 1.024 742 G CA 0.587 45.682 45.100 -0.009 0.000 0.784 742 G HN 0.712 nan 8.290 nan 0.000 0.507 743 C N -0.828 118.429 119.300 -0.071 0.000 3.545 743 C HA 0.303 4.764 4.460 0.001 0.000 0.368 743 C C 1.233 176.174 174.990 -0.082 0.000 1.400 743 C CA -0.343 58.659 59.018 -0.026 0.000 1.848 743 C CB -0.219 27.528 27.740 0.012 0.000 2.576 743 C HN 0.628 nan 8.230 nan 0.000 0.683 744 N N 3.051 121.670 118.700 -0.134 0.000 2.498 744 N HA 0.061 4.801 4.740 0.001 0.000 0.277 744 N C 1.110 176.433 175.510 -0.312 0.000 1.208 744 N CA -0.086 52.848 53.050 -0.194 0.000 1.029 744 N CB -0.125 38.301 38.487 -0.100 0.000 1.403 744 N HN 0.683 nan 8.380 nan 0.000 0.500 745 I N -1.368 118.860 120.570 -0.571 0.000 2.850 745 I HA -0.088 4.083 4.170 0.001 0.000 0.266 745 I C -0.055 175.730 176.117 -0.553 0.000 1.257 745 I CA 0.995 61.944 61.300 -0.586 0.000 1.465 745 I CB -0.366 37.165 38.000 -0.781 0.000 1.091 745 I HN 0.047 nan 8.210 nan 0.000 0.467 746 F N 1.455 121.178 119.950 -0.378 0.000 2.660 746 F HA 0.247 4.775 4.527 0.001 0.000 0.297 746 F C 1.580 177.199 175.800 -0.302 0.000 1.132 746 F CA -0.852 56.695 58.000 -0.754 0.000 1.372 746 F CB -1.062 37.449 39.000 -0.815 0.000 1.003 746 F HN 0.015 nan 8.300 nan 0.000 0.524 747 D N 0.667 121.011 120.400 -0.093 0.000 2.177 747 D HA -0.223 4.418 4.640 0.001 0.000 0.189 747 D C 1.714 177.998 176.300 -0.026 0.000 1.002 747 D CA 1.745 55.638 54.000 -0.180 0.000 0.845 747 D CB -0.289 40.218 40.800 -0.489 0.000 0.960 747 D HN 0.511 nan 8.370 nan 0.000 0.447 748 H N -1.582 117.608 119.070 0.200 0.000 2.567 748 H HA 0.130 4.687 4.556 0.001 0.000 0.294 748 H C 0.061 175.666 175.328 0.462 0.000 1.050 748 H CA -0.709 55.505 56.048 0.276 0.000 1.168 748 H CB -0.298 29.594 29.762 0.218 0.000 1.422 748 H HN -0.017 nan 8.280 nan 0.000 0.562 749 F N 3.173 123.308 119.950 0.308 0.000 2.429 749 F HA 0.065 4.593 4.527 0.001 0.000 0.348 749 F C 1.210 177.116 175.800 0.176 0.000 1.109 749 F CA -1.408 56.738 58.000 0.243 0.000 1.232 749 F CB 0.857 40.015 39.000 0.262 0.000 1.157 749 F HN 0.123 nan 8.300 nan 0.000 0.564 750 S N 3.608 119.475 115.700 0.277 0.000 2.566 750 S HA 0.090 4.560 4.470 0.001 0.000 0.280 750 S C 1.287 176.007 174.600 0.200 0.000 1.343 750 S CA -0.694 57.614 58.200 0.180 0.000 1.036 750 S CB 0.486 63.755 63.200 0.115 0.000 0.866 750 S HN 0.652 nan 8.310 nan 0.000 0.526 751 R N 1.373 121.955 120.500 0.136 0.000 2.185 751 R HA -0.185 4.156 4.340 0.001 0.000 0.247 751 R C 1.925 178.322 176.300 0.161 0.000 1.159 751 R CA 1.752 57.931 56.100 0.132 0.000 0.988 751 R CB -0.498 29.847 30.300 0.075 0.000 0.871 751 R HN 0.629 nan 8.270 nan 0.000 0.458 752 K N 0.668 121.147 120.400 0.131 0.000 2.001 752 K HA -0.112 4.209 4.320 0.001 0.000 0.208 752 K C 1.685 178.361 176.600 0.127 0.000 1.048 752 K CA 1.728 58.079 56.287 0.107 0.000 0.932 752 K CB -0.013 32.533 32.500 0.077 0.000 0.715 752 K HN 0.072 nan 8.250 nan 0.000 0.437 753 D N -0.596 119.899 120.400 0.159 0.000 2.084 753 D HA -0.194 4.447 4.640 0.001 0.000 0.194 753 D C 1.818 178.273 176.300 0.258 0.000 0.990 753 D CA 1.109 55.210 54.000 0.169 0.000 0.826 753 D CB -0.568 40.296 40.800 0.106 0.000 0.971 753 D HN 0.173 nan 8.370 nan 0.000 0.453 754 Y N 1.567 122.002 120.300 0.225 0.000 2.102 754 Y HA -0.309 4.242 4.550 0.001 0.000 0.280 754 Y C 2.444 178.358 175.900 0.023 0.000 1.178 754 Y CA 1.842 60.007 58.100 0.109 0.000 1.146 754 Y CB -0.017 38.500 38.460 0.094 0.000 0.968 754 Y HN -0.103 nan 8.280 nan 0.000 0.504 755 Q N 0.620 120.532 119.800 0.186 0.000 1.921 755 Q HA -0.267 4.074 4.340 0.001 0.000 0.208 755 Q C 2.515 178.507 176.000 -0.015 0.000 0.994 755 Q CA 2.338 58.190 55.803 0.082 0.000 0.857 755 Q CB -0.758 28.039 28.738 0.099 0.000 0.925 755 Q HN 0.670 nan 8.270 nan 0.000 0.421 756 R N 0.042 120.549 120.500 0.012 0.000 2.174 756 R HA -0.203 4.137 4.340 0.001 0.000 0.253 756 R C 2.001 178.253 176.300 -0.080 0.000 1.165 756 R CA 2.280 58.371 56.100 -0.015 0.000 0.984 756 R CB -0.572 29.738 30.300 0.017 0.000 0.873 756 R HN 0.214 nan 8.270 nan 0.000 0.456 757 M N -0.015 119.499 119.600 -0.144 0.000 2.630 757 M HA 0.091 4.572 4.480 0.001 0.000 0.254 757 M C 0.842 176.908 176.300 -0.391 0.000 1.092 757 M CA 1.102 56.207 55.300 -0.324 0.000 1.087 757 M CB 0.213 32.508 32.600 -0.507 0.000 1.453 757 M HN 0.316 nan 8.290 nan 0.000 0.509 758 L N -1.275 119.793 121.223 -0.259 0.000 2.500 758 L HA 0.131 4.472 4.340 0.001 0.000 0.219 758 L C 1.783 178.641 176.870 -0.020 0.000 1.057 758 L CA 1.076 55.839 54.840 -0.129 0.000 0.854 758 L CB -0.420 41.566 42.059 -0.121 0.000 1.078 758 L HN 0.200 nan 8.230 nan 0.000 0.480 759 D N -0.353 120.007 120.400 -0.067 0.000 2.084 759 D HA -0.137 4.504 4.640 0.001 0.000 0.196 759 D C 2.247 178.483 176.300 -0.108 0.000 0.985 759 D CA 0.982 54.929 54.000 -0.088 0.000 0.826 759 D CB 0.128 40.896 40.800 -0.053 0.000 0.978 759 D HN 0.159 nan 8.370 nan 0.000 0.456 760 L N 0.678 121.853 121.223 -0.080 0.000 1.976 760 L HA -0.267 4.073 4.340 0.001 0.000 0.223 760 L C 2.773 179.601 176.870 -0.071 0.000 1.081 760 L CA 1.568 56.369 54.840 -0.065 0.000 0.784 760 L CB -0.544 41.470 42.059 -0.076 0.000 0.896 760 L HN 0.114 nan 8.230 nan 0.000 0.438 761 M N -1.453 118.114 119.600 -0.054 0.000 2.108 761 M HA -0.253 4.228 4.480 0.001 0.000 0.261 761 M C 2.385 178.662 176.300 -0.040 0.000 1.066 761 M CA 1.555 56.875 55.300 0.034 0.000 1.107 761 M CB -0.559 32.133 32.600 0.153 0.000 1.356 761 M HN 0.218 nan 8.290 nan 0.000 0.406 762 R N 0.743 121.057 120.500 -0.311 0.000 2.080 762 R HA -0.181 4.160 4.340 0.001 0.000 0.236 762 R C 1.569 177.583 176.300 -0.475 0.000 1.137 762 R CA 2.119 57.645 56.100 -0.957 0.000 0.943 762 R CB -0.291 29.372 30.300 -1.062 0.000 0.846 762 R HN 0.349 nan 8.270 nan 0.000 0.431 763 D N 0.550 120.780 120.400 -0.284 0.000 2.077 763 D HA -0.169 4.471 4.640 0.001 0.000 0.193 763 D C 2.057 178.266 176.300 -0.151 0.000 0.989 763 D CA 1.541 55.425 54.000 -0.194 0.000 0.831 763 D CB -0.476 40.257 40.800 -0.111 0.000 0.979 763 D HN 0.266 nan 8.370 nan 0.000 0.449 764 I N 0.814 121.332 120.570 -0.087 0.000 2.091 764 I HA -0.319 3.852 4.170 0.001 0.000 0.240 764 I C 2.520 178.615 176.117 -0.036 0.000 1.046 764 I CA 1.158 62.432 61.300 -0.043 0.000 1.306 764 I CB -0.375 37.616 38.000 -0.016 0.000 1.018 764 I HN -0.034 nan 8.210 nan 0.000 0.404 765 I N -0.156 120.409 120.570 -0.009 0.000 2.335 765 I HA -0.279 3.892 4.170 0.001 0.000 0.251 765 I C 2.115 178.241 176.117 0.016 0.000 1.129 765 I CA 1.026 62.364 61.300 0.062 0.000 1.402 765 I CB -0.180 37.914 38.000 0.157 0.000 1.069 765 I HN 0.226 nan 8.210 nan 0.000 0.424 766 L N 0.111 121.275 121.223 -0.098 0.000 2.395 766 L HA 0.042 4.383 4.340 0.001 0.000 0.218 766 L C 2.452 179.209 176.870 -0.189 0.000 1.130 766 L CA 1.316 56.072 54.840 -0.140 0.000 0.826 766 L CB -1.305 40.618 42.059 -0.228 0.000 0.941 766 L HN 0.180 nan 8.230 nan 0.000 0.451 767 A N -1.153 121.567 122.820 -0.166 0.000 2.119 767 A HA -0.112 4.209 4.320 0.001 0.000 0.217 767 A C 1.959 179.588 177.584 0.074 0.000 1.153 767 A CA 1.327 53.313 52.037 -0.084 0.000 0.692 767 A CB -0.797 18.203 19.000 0.000 0.000 0.799 767 A HN 0.466 nan 8.150 nan 0.000 0.458 768 T N -1.777 112.812 114.554 0.059 0.000 3.509 768 T HA 0.078 4.429 4.350 0.001 0.000 0.250 768 T C -0.108 174.675 174.700 0.138 0.000 1.076 768 T CA 0.291 62.457 62.100 0.110 0.000 0.966 768 T CB -0.577 68.399 68.868 0.179 0.000 1.046 768 T HN 0.202 nan 8.240 nan 0.000 0.591 769 D N 1.058 121.539 120.400 0.135 0.000 2.427 769 D HA 0.185 4.826 4.640 0.001 0.000 0.226 769 D C 1.118 177.533 176.300 0.192 0.000 1.076 769 D CA -0.991 53.097 54.000 0.147 0.000 0.849 769 D CB 0.883 41.757 40.800 0.124 0.000 1.052 769 D HN -0.040 nan 8.370 nan 0.000 0.515 770 L N 4.038 125.357 121.223 0.160 0.000 2.089 770 L HA -0.184 4.157 4.340 0.001 0.000 0.213 770 L C 2.060 179.021 176.870 0.151 0.000 1.079 770 L CA 1.969 56.913 54.840 0.174 0.000 0.758 770 L CB -1.300 40.840 42.059 0.135 0.000 0.891 770 L HN 0.578 nan 8.230 nan 0.000 0.433 771 A N -1.980 120.910 122.820 0.117 0.000 2.070 771 A HA -0.244 4.077 4.320 0.001 0.000 0.220 771 A C 2.286 179.931 177.584 0.103 0.000 1.159 771 A CA 1.534 53.620 52.037 0.083 0.000 0.656 771 A CB -0.776 18.267 19.000 0.072 0.000 0.800 771 A HN 0.687 nan 8.150 nan 0.000 0.453 772 H N -1.703 117.413 119.070 0.077 0.000 2.431 772 H HA -0.119 4.438 4.556 0.001 0.000 0.295 772 H C 2.055 177.460 175.328 0.129 0.000 1.038 772 H CA 1.618 57.714 56.048 0.080 0.000 1.360 772 H CB -0.290 29.513 29.762 0.069 0.000 1.433 772 H HN 0.635 nan 8.280 nan 0.000 0.536 773 H N 1.767 120.828 119.070 -0.016 0.000 2.265 773 H HA -0.137 4.420 4.556 0.001 0.000 0.295 773 H C 2.525 177.830 175.328 -0.039 0.000 1.084 773 H CA 2.320 58.346 56.048 -0.036 0.000 1.261 773 H CB -0.652 29.130 29.762 0.033 0.000 1.360 773 H HN 0.340 nan 8.280 nan 0.000 0.487 774 L N -0.253 120.832 121.223 -0.229 0.000 2.079 774 L HA -0.175 4.166 4.340 0.001 0.000 0.210 774 L C 2.879 179.676 176.870 -0.122 0.000 1.081 774 L CA 1.625 56.297 54.840 -0.280 0.000 0.752 774 L CB -0.580 41.369 42.059 -0.184 0.000 0.896 774 L HN 0.235 nan 8.230 nan 0.000 0.433 775 R N 0.545 120.977 120.500 -0.114 0.000 2.120 775 R HA -0.134 4.207 4.340 0.001 0.000 0.234 775 R C 2.205 178.449 176.300 -0.093 0.000 1.123 775 R CA 1.758 57.803 56.100 -0.092 0.000 0.975 775 R CB -0.226 30.019 30.300 -0.091 0.000 0.866 775 R HN 0.566 nan 8.270 nan 0.000 0.446 776 I N -3.324 117.158 120.570 -0.146 0.000 3.968 776 I HA 0.060 4.230 4.170 0.001 0.000 0.328 776 I C 1.632 177.752 176.117 0.005 0.000 1.290 776 I CA 0.143 61.398 61.300 -0.076 0.000 1.163 776 I CB -0.180 37.748 38.000 -0.120 0.000 1.024 776 I HN -0.093 nan 8.210 nan 0.000 0.413 777 F N 3.021 122.887 119.950 -0.139 0.000 2.082 777 F HA -0.313 4.215 4.527 0.001 0.000 0.298 777 F C 2.342 178.103 175.800 -0.065 0.000 1.091 777 F CA 2.164 60.087 58.000 -0.127 0.000 1.230 777 F CB -0.219 38.628 39.000 -0.254 0.000 0.983 777 F HN -0.010 nan 8.300 nan 0.000 0.485 778 K N -0.357 120.030 120.400 -0.022 0.000 2.362 778 K HA -0.167 4.154 4.320 0.001 0.000 0.200 778 K C 1.178 177.700 176.600 -0.131 0.000 1.046 778 K CA 1.612 57.842 56.287 -0.094 0.000 0.952 778 K CB -0.210 32.302 32.500 0.020 0.000 0.753 778 K HN 0.378 nan 8.250 nan 0.000 0.466 779 D N -0.112 120.229 120.400 -0.100 0.000 2.327 779 D HA 0.006 4.647 4.640 0.001 0.000 0.205 779 D C 1.241 177.479 176.300 -0.104 0.000 0.989 779 D CA 0.402 54.365 54.000 -0.061 0.000 0.873 779 D CB 0.296 41.091 40.800 -0.009 0.000 0.955 779 D HN 0.063 nan 8.370 nan 0.000 0.515 780 L N 0.483 121.597 121.223 -0.182 0.000 2.478 780 L HA -0.032 4.309 4.340 0.001 0.000 0.223 780 L C 1.883 178.582 176.870 -0.285 0.000 1.140 780 L CA 0.750 55.465 54.840 -0.208 0.000 0.842 780 L CB -0.078 41.862 42.059 -0.198 0.000 0.953 780 L HN 0.090 nan 8.230 nan 0.000 0.452 781 Q N -0.145 119.462 119.800 -0.323 0.000 2.063 781 Q HA -0.135 4.206 4.340 0.001 0.000 0.194 781 Q C 2.035 177.949 176.000 -0.145 0.000 0.974 781 Q CA 0.687 56.327 55.803 -0.271 0.000 0.827 781 Q CB 0.037 28.595 28.738 -0.301 0.000 0.902 781 Q HN 0.161 nan 8.270 nan 0.000 0.462 782 K N 1.000 121.341 120.400 -0.098 0.000 2.160 782 K HA -0.194 4.127 4.320 0.001 0.000 0.206 782 K C 2.046 178.633 176.600 -0.022 0.000 1.047 782 K CA 1.324 57.589 56.287 -0.037 0.000 0.930 782 K CB -0.054 32.444 32.500 -0.002 0.000 0.720 782 K HN 0.172 nan 8.250 nan 0.000 0.450 783 M N -0.368 119.187 119.600 -0.075 0.000 2.064 783 M HA -0.148 4.333 4.480 0.001 0.000 0.260 783 M C 2.013 178.237 176.300 -0.128 0.000 1.073 783 M CA 2.060 57.252 55.300 -0.181 0.000 1.124 783 M CB -0.212 32.145 32.600 -0.405 0.000 1.326 783 M HN 0.185 nan 8.290 nan 0.000 0.410 784 A N -0.264 122.474 122.820 -0.136 0.000 2.024 784 A HA -0.216 4.105 4.320 0.001 0.000 0.220 784 A C 1.838 179.382 177.584 -0.066 0.000 1.164 784 A CA 2.130 54.099 52.037 -0.113 0.000 0.643 784 A CB -0.800 18.127 19.000 -0.122 0.000 0.806 784 A HN 0.734 nan 8.150 nan 0.000 0.451 785 E N -0.777 119.393 120.200 -0.050 0.000 2.122 785 E HA -0.017 4.334 4.350 0.001 0.000 0.190 785 E C 0.783 177.384 176.600 0.002 0.000 0.977 785 E CA 1.067 57.453 56.400 -0.023 0.000 0.820 785 E CB 0.187 29.874 29.700 -0.022 0.000 0.770 785 E HN 0.524 nan 8.360 nan 0.000 0.462 786 V N -1.956 117.972 119.914 0.023 0.000 2.412 786 V HA 0.623 4.744 4.120 0.001 0.000 0.270 786 V C 0.541 176.697 176.094 0.102 0.000 1.169 786 V CA -0.008 62.327 62.300 0.058 0.000 1.319 786 V CB -0.307 31.558 31.823 0.069 0.000 1.467 786 V HN 0.357 nan 8.190 nan 0.000 0.535 787 G N 2.657 111.500 108.800 0.072 0.000 2.595 787 G HA2 -0.287 3.674 3.960 0.001 0.000 0.297 787 G HA3 -0.287 3.674 3.960 0.001 0.000 0.297 787 G C -0.028 174.986 174.900 0.190 0.000 1.181 787 G CA 1.236 46.401 45.100 0.108 0.000 0.963 787 G HN 2.322 nan 8.290 nan 0.000 0.541 788 Y N 1.077 121.468 120.300 0.152 0.000 1.784 788 Y HA 0.327 4.878 4.550 0.001 0.000 0.306 788 Y C -0.811 175.338 175.900 0.414 0.000 1.130 788 Y CA -0.102 58.136 58.100 0.229 0.000 1.902 788 Y CB -0.372 38.104 38.460 0.028 0.000 1.205 788 Y HN 0.695 nan 8.280 nan 0.000 0.386 789 D N 4.146 124.614 120.400 0.114 0.000 2.493 789 D HA 0.092 4.732 4.640 0.001 0.000 0.240 789 D C 0.985 176.989 176.300 -0.493 0.000 1.142 789 D CA 0.291 54.132 54.000 -0.265 0.000 0.872 789 D CB 0.978 41.545 40.800 -0.388 0.000 1.173 789 D HN 0.701 nan 8.370 nan 0.000 0.467 790 R N 2.826 123.146 120.500 -0.300 0.000 2.317 790 R HA 0.038 4.379 4.340 0.001 0.000 0.208 790 R C 0.255 176.497 176.300 -0.097 0.000 0.914 790 R CA 0.097 56.148 56.100 -0.082 0.000 1.060 790 R CB 0.315 30.642 30.300 0.045 0.000 1.015 790 R HN 0.374 nan 8.270 nan 0.000 0.498 791 N N -0.105 118.483 118.700 -0.187 0.000 2.282 791 N HA -0.037 4.703 4.740 0.001 0.000 0.185 791 N C -0.068 175.290 175.510 -0.253 0.000 1.099 791 N CA 0.068 53.003 53.050 -0.190 0.000 0.878 791 N CB 0.152 38.557 38.487 -0.137 0.000 0.993 791 N HN 0.058 nan 8.380 nan 0.000 0.481 792 N N 1.830 120.346 118.700 -0.306 0.000 2.420 792 N HA 0.030 4.771 4.740 0.001 0.000 0.262 792 N C 0.723 176.071 175.510 -0.270 0.000 1.144 792 N CA 0.018 52.884 53.050 -0.307 0.000 0.952 792 N CB 1.095 39.268 38.487 -0.523 0.000 1.081 792 N HN -0.180 nan 8.380 nan 0.000 0.480 793 K N 2.217 122.492 120.400 -0.208 0.000 2.155 793 K HA -0.092 4.229 4.320 0.001 0.000 0.203 793 K C 1.542 178.142 176.600 -0.000 0.000 1.052 793 K CA 0.978 57.167 56.287 -0.163 0.000 0.948 793 K CB -0.106 32.337 32.500 -0.096 0.000 0.728 793 K HN 0.524 nan 8.250 nan 0.000 0.448 794 Q N -0.105 119.706 119.800 0.019 0.000 2.124 794 Q HA -0.088 4.253 4.340 0.001 0.000 0.202 794 Q C 1.599 177.756 176.000 0.262 0.000 0.977 794 Q CA 1.658 57.528 55.803 0.112 0.000 0.850 794 Q CB -0.151 28.633 28.738 0.077 0.000 0.901 794 Q HN 0.582 nan 8.270 nan 0.000 0.429 795 H N -1.938 117.206 119.070 0.124 0.000 2.457 795 H HA -0.053 4.503 4.556 0.001 0.000 0.294 795 H C 1.512 177.127 175.328 0.479 0.000 1.064 795 H CA 0.870 57.078 56.048 0.266 0.000 1.330 795 H CB 0.239 30.098 29.762 0.160 0.000 1.395 795 H HN 0.507 nan 8.280 nan 0.000 0.541 796 H N -0.098 119.173 119.070 0.335 0.000 2.436 796 H HA -0.009 4.548 4.556 0.001 0.000 0.294 796 H C 2.163 177.617 175.328 0.210 0.000 1.048 796 H CA 0.179 56.407 56.048 0.300 0.000 1.353 796 H CB 0.509 30.396 29.762 0.209 0.000 1.414 796 H HN 0.251 nan 8.280 nan 0.000 0.536 797 R N 0.456 121.135 120.500 0.298 0.000 2.061 797 R HA -0.089 4.252 4.340 0.001 0.000 0.230 797 R C 2.417 178.820 176.300 0.173 0.000 1.140 797 R CA 1.027 57.243 56.100 0.193 0.000 0.940 797 R CB -0.220 30.174 30.300 0.156 0.000 0.839 797 R HN 0.140 nan 8.270 nan 0.000 0.429 798 L N 0.514 121.845 121.223 0.180 0.000 2.012 798 L HA -0.203 4.138 4.340 0.001 0.000 0.210 798 L C 2.369 179.297 176.870 0.098 0.000 1.073 798 L CA 0.901 55.818 54.840 0.128 0.000 0.748 798 L CB -0.749 41.367 42.059 0.094 0.000 0.891 798 L HN 0.166 nan 8.230 nan 0.000 0.431 799 L N -0.326 120.974 121.223 0.129 0.000 2.129 799 L HA -0.201 4.140 4.340 0.001 0.000 0.212 799 L C 2.211 179.100 176.870 0.032 0.000 1.087 799 L CA 1.787 56.658 54.840 0.052 0.000 0.757 799 L CB -0.505 41.590 42.059 0.059 0.000 0.896 799 L HN 0.169 nan 8.230 nan 0.000 0.434 800 L N -2.255 119.012 121.223 0.073 0.000 2.270 800 L HA -0.160 4.180 4.340 0.001 0.000 0.210 800 L C 2.464 179.353 176.870 0.032 0.000 1.104 800 L CA 0.666 55.536 54.840 0.049 0.000 0.804 800 L CB -0.365 41.738 42.059 0.074 0.000 0.937 800 L HN 0.325 nan 8.230 nan 0.000 0.450 801 C N -0.641 118.693 119.300 0.057 0.000 2.462 801 C HA -0.151 4.310 4.460 0.001 0.000 0.278 801 C C 2.687 177.673 174.990 -0.008 0.000 1.253 801 C CA 0.410 59.465 59.018 0.061 0.000 1.713 801 C CB -0.653 27.174 27.740 0.145 0.000 2.049 801 C HN 0.458 nan 8.230 nan 0.000 0.477 802 L N 0.626 121.838 121.223 -0.018 0.000 2.021 802 L HA -0.206 4.135 4.340 0.001 0.000 0.215 802 L C 2.367 179.171 176.870 -0.110 0.000 1.074 802 L CA 1.925 56.715 54.840 -0.083 0.000 0.760 802 L CB -0.545 41.488 42.059 -0.044 0.000 0.889 802 L HN 0.302 nan 8.230 nan 0.000 0.433 803 L N -1.766 119.414 121.223 -0.073 0.000 2.012 803 L HA -0.274 4.067 4.340 0.001 0.000 0.210 803 L C 2.531 179.373 176.870 -0.047 0.000 1.073 803 L CA 1.699 56.498 54.840 -0.068 0.000 0.748 803 L CB -0.561 41.456 42.059 -0.070 0.000 0.891 803 L HN 0.404 nan 8.230 nan 0.000 0.431 804 M N -0.493 119.072 119.600 -0.059 0.000 2.065 804 M HA -0.200 4.280 4.480 0.001 0.000 0.259 804 M C 2.321 178.549 176.300 -0.120 0.000 1.069 804 M CA 2.200 57.448 55.300 -0.087 0.000 1.110 804 M CB -0.856 31.699 32.600 -0.075 0.000 1.328 804 M HN 0.141 nan 8.290 nan 0.000 0.405 805 T N -0.010 114.452 114.554 -0.153 0.000 2.699 805 T HA -0.150 4.201 4.350 0.001 0.000 0.268 805 T C 1.926 176.477 174.700 -0.250 0.000 1.036 805 T CA 1.947 63.905 62.100 -0.237 0.000 1.147 805 T CB -0.501 68.101 68.868 -0.442 0.000 0.862 805 T HN 0.456 nan 8.240 nan 0.000 0.446 806 S N 0.360 115.926 115.700 -0.224 0.000 2.383 806 S HA -0.106 4.365 4.470 0.001 0.000 0.227 806 S C 2.414 177.012 174.600 -0.003 0.000 1.026 806 S CA 1.087 59.169 58.200 -0.195 0.000 0.981 806 S CB -0.485 62.675 63.200 -0.066 0.000 0.818 806 S HN 0.644 nan 8.310 nan 0.000 0.472 807 C N 1.153 120.499 119.300 0.078 0.000 2.467 807 C HA 0.026 4.487 4.460 0.001 0.000 0.279 807 C C 2.463 177.425 174.990 -0.047 0.000 1.347 807 C CA -0.128 58.964 59.018 0.123 0.000 1.748 807 C CB -1.150 26.681 27.740 0.152 0.000 1.977 807 C HN 0.533 nan 8.230 nan 0.000 0.501 808 D N 1.448 121.811 120.400 -0.062 0.000 2.087 808 D HA -0.081 4.560 4.640 0.001 0.000 0.192 808 D C 1.487 177.819 176.300 0.054 0.000 0.993 808 D CA 1.241 55.272 54.000 0.052 0.000 0.828 808 D CB -0.211 40.593 40.800 0.007 0.000 0.968 808 D HN 0.438 nan 8.370 nan 0.000 0.448 809 L N 0.689 121.823 121.223 -0.148 0.000 2.653 809 L HA 0.172 4.513 4.340 0.001 0.000 0.232 809 L C 1.991 178.859 176.870 -0.003 0.000 1.169 809 L CA 0.140 54.886 54.840 -0.156 0.000 0.951 809 L CB -0.196 41.711 42.059 -0.253 0.000 1.181 809 L HN -0.047 nan 8.230 nan 0.000 0.460 810 S N 0.440 116.033 115.700 -0.177 0.000 2.462 810 S HA -0.244 4.227 4.470 0.001 0.000 0.243 810 S C 1.550 175.898 174.600 -0.419 0.000 1.003 810 S CA 1.539 59.360 58.200 -0.632 0.000 0.970 810 S CB -0.437 61.829 63.200 -1.557 0.000 0.762 810 S HN 0.705 nan 8.310 nan 0.000 0.510 811 D N 0.075 120.398 120.400 -0.129 0.000 2.363 811 D HA -0.074 4.567 4.640 0.001 0.000 0.226 811 D C 1.393 177.651 176.300 -0.070 0.000 1.020 811 D CA 0.245 54.206 54.000 -0.064 0.000 0.892 811 D CB -0.281 40.550 40.800 0.051 0.000 0.900 811 D HN 0.462 nan 8.370 nan 0.000 0.531 812 Q N 0.282 120.011 119.800 -0.118 0.000 2.398 812 Q HA -0.001 4.340 4.340 0.001 0.000 0.204 812 Q C 1.911 177.765 176.000 -0.243 0.000 0.932 812 Q CA 1.074 56.806 55.803 -0.118 0.000 0.916 812 Q CB 0.285 28.946 28.738 -0.128 0.000 1.024 812 Q HN 0.576 nan 8.270 nan 0.000 0.504 813 T N -2.286 112.055 114.554 -0.355 0.000 3.051 813 T HA 0.100 4.451 4.350 0.001 0.000 0.255 813 T C 0.874 175.481 174.700 -0.154 0.000 1.085 813 T CA -0.185 61.715 62.100 -0.334 0.000 1.109 813 T CB 0.309 68.918 68.868 -0.430 0.000 0.921 813 T HN -0.174 nan 8.240 nan 0.000 0.488 814 K N 2.299 122.626 120.400 -0.122 0.000 2.234 814 K HA 0.478 4.799 4.320 0.001 0.000 0.251 814 K C 0.986 177.545 176.600 -0.068 0.000 1.011 814 K CA -0.476 55.768 56.287 -0.073 0.000 0.889 814 K CB -0.459 31.991 32.500 -0.084 0.000 1.011 814 K HN 0.336 nan 8.250 nan 0.000 0.505 815 G N 0.967 109.734 108.800 -0.055 0.000 2.432 815 G HA2 -0.097 3.864 3.960 0.001 0.000 0.239 815 G HA3 -0.097 3.864 3.960 0.001 0.000 0.239 815 G C 0.977 175.820 174.900 -0.095 0.000 1.291 815 G CA -0.485 44.591 45.100 -0.040 0.000 0.863 815 G HN 0.764 nan 8.290 nan 0.000 0.560 816 W N 3.023 124.162 121.300 -0.267 0.000 2.275 816 W HA -0.303 4.358 4.660 0.001 0.000 0.321 816 W C 2.057 178.402 176.519 -0.290 0.000 1.269 816 W CA 2.290 59.380 57.345 -0.426 0.000 1.274 816 W CB 0.131 29.141 29.460 -0.750 0.000 1.141 816 W HN 0.696 nan 8.180 nan 0.000 0.493 817 K N -0.096 120.073 120.400 -0.385 0.000 2.432 817 K HA -0.034 4.287 4.320 0.001 0.000 0.196 817 K C 1.725 178.106 176.600 -0.364 0.000 1.038 817 K CA 1.837 57.867 56.287 -0.428 0.000 0.986 817 K CB -0.314 32.099 32.500 -0.146 0.000 0.782 817 K HN -0.107 nan 8.250 nan 0.000 0.485 818 T N 0.033 114.408 114.554 -0.298 0.000 2.706 818 T HA -0.130 4.221 4.350 0.001 0.000 0.255 818 T C 1.814 176.355 174.700 -0.266 0.000 1.048 818 T CA 1.699 63.666 62.100 -0.222 0.000 1.153 818 T CB -0.627 68.149 68.868 -0.153 0.000 0.865 818 T HN 0.406 nan 8.240 nan 0.000 0.414 819 T N 1.802 116.178 114.554 -0.296 0.000 2.699 819 T HA -0.180 4.171 4.350 0.001 0.000 0.268 819 T C 2.156 176.639 174.700 -0.362 0.000 1.036 819 T CA 1.214 63.158 62.100 -0.260 0.000 1.147 819 T CB -0.278 68.490 68.868 -0.165 0.000 0.862 819 T HN 0.103 nan 8.240 nan 0.000 0.446 820 R N 0.273 120.323 120.500 -0.750 0.000 2.105 820 R HA -0.059 4.282 4.340 0.001 0.000 0.239 820 R C 2.359 178.450 176.300 -0.349 0.000 1.135 820 R CA 1.238 56.874 56.100 -0.773 0.000 0.967 820 R CB -0.268 29.329 30.300 -1.172 0.000 0.861 820 R HN 0.228 nan 8.270 nan 0.000 0.442 821 K N 0.613 120.830 120.400 -0.305 0.000 2.155 821 K HA -0.010 4.310 4.320 0.001 0.000 0.203 821 K C 2.066 178.582 176.600 -0.139 0.000 1.052 821 K CA 0.827 57.004 56.287 -0.183 0.000 0.948 821 K CB -0.257 32.146 32.500 -0.162 0.000 0.728 821 K HN 0.230 nan 8.250 nan 0.000 0.448 822 I N 0.405 120.881 120.570 -0.158 0.000 2.141 822 I HA -0.233 3.938 4.170 0.001 0.000 0.236 822 I C 2.234 178.221 176.117 -0.217 0.000 1.071 822 I CA 1.164 62.361 61.300 -0.173 0.000 1.345 822 I CB -0.562 37.338 38.000 -0.167 0.000 1.066 822 I HN -0.004 nan 8.210 nan 0.000 0.406 823 A N 0.784 123.530 122.820 -0.123 0.000 2.067 823 A HA -0.305 4.016 4.320 0.001 0.000 0.224 823 A C 2.141 179.775 177.584 0.085 0.000 1.172 823 A CA 2.218 54.272 52.037 0.028 0.000 0.662 823 A CB -0.824 18.376 19.000 0.333 0.000 0.814 823 A HN 0.592 nan 8.150 nan 0.000 0.468 824 E N -0.276 119.928 120.200 0.006 0.000 2.031 824 E HA -0.184 4.167 4.350 0.001 0.000 0.193 824 E C 2.004 178.585 176.600 -0.032 0.000 0.994 824 E CA 1.414 57.826 56.400 0.020 0.000 0.800 824 E CB -0.470 29.221 29.700 -0.015 0.000 0.752 824 E HN 0.673 nan 8.360 nan 0.000 0.447 825 L N 1.130 122.287 121.223 -0.110 0.000 1.989 825 L HA -0.208 4.133 4.340 0.001 0.000 0.211 825 L C 2.627 179.353 176.870 -0.240 0.000 1.071 825 L CA 1.278 56.042 54.840 -0.126 0.000 0.749 825 L CB -0.601 41.409 42.059 -0.082 0.000 0.890 825 L HN 0.091 nan 8.230 nan 0.000 0.431 826 I N -1.406 118.840 120.570 -0.540 0.000 2.091 826 I HA -0.361 3.810 4.170 0.001 0.000 0.239 826 I C 2.464 178.252 176.117 -0.549 0.000 1.061 826 I CA 1.848 62.668 61.300 -0.800 0.000 1.317 826 I CB -0.515 36.779 38.000 -1.177 0.000 1.031 826 I HN 0.167 nan 8.210 nan 0.000 0.401 827 Y N 0.666 120.762 120.300 -0.340 0.000 2.352 827 Y HA -0.208 4.343 4.550 0.001 0.000 0.292 827 Y C 2.576 178.316 175.900 -0.267 0.000 1.136 827 Y CA 1.343 59.227 58.100 -0.359 0.000 1.227 827 Y CB -0.294 38.014 38.460 -0.253 0.000 0.991 827 Y HN 0.139 nan 8.280 nan 0.000 0.545 828 K N 0.852 121.252 120.400 0.000 0.000 2.103 828 K HA -0.214 4.107 4.320 0.001 0.000 0.204 828 K C 1.971 178.593 176.600 0.036 0.000 1.052 828 K CA 1.578 57.895 56.287 0.050 0.000 0.945 828 K CB -0.021 32.499 32.500 0.033 0.000 0.722 828 K HN 0.365 nan 8.250 nan 0.000 0.443 829 E N 0.026 120.211 120.200 -0.025 0.000 2.001 829 E HA -0.204 4.147 4.350 0.001 0.000 0.193 829 E C 1.574 178.218 176.600 0.075 0.000 0.994 829 E CA 1.014 57.421 56.400 0.011 0.000 0.815 829 E CB -0.351 29.326 29.700 -0.039 0.000 0.770 829 E HN 0.292 nan 8.360 nan 0.000 0.453 830 F N 0.535 120.338 119.950 -0.246 0.000 2.376 830 F HA -0.150 4.378 4.527 0.001 0.000 0.297 830 F C -0.007 175.812 175.800 0.032 0.000 1.044 830 F CA 1.150 58.987 58.000 -0.272 0.000 1.452 830 F CB -0.217 38.372 39.000 -0.685 0.000 1.113 830 F HN 0.046 nan 8.300 nan 0.000 0.580 831 F N 0.439 120.433 119.950 0.074 0.000 2.542 831 F HA 0.320 4.848 4.527 0.001 0.000 0.323 831 F C -0.046 175.873 175.800 0.198 0.000 1.411 831 F CA -0.311 57.672 58.000 -0.028 0.000 1.124 831 F CB -0.056 38.800 39.000 -0.240 0.000 1.331 831 F HN -0.132 nan 8.300 nan 0.000 0.560 832 S N -0.634 115.376 115.700 0.517 0.000 2.686 832 S HA 0.312 4.783 4.470 0.001 0.000 0.273 832 S C -1.007 173.674 174.600 0.136 0.000 1.060 832 S CA -1.088 57.284 58.200 0.286 0.000 0.845 832 S CB 2.171 65.477 63.200 0.177 0.000 1.086 832 S HN 0.354 nan 8.310 nan 0.000 0.461 833 Q N -0.414 119.435 119.800 0.082 0.000 0.539 833 Q HA -0.027 4.313 4.340 0.001 0.000 0.301 833 Q C 0.708 176.698 176.000 -0.017 0.000 1.082 833 Q CA 2.355 58.175 55.803 0.027 0.000 0.356 833 Q CB -1.580 27.175 28.738 0.027 0.000 5.437 833 Q HN 2.549 nan 8.270 nan 0.000 0.331 834 G N 0.345 109.132 108.800 -0.022 0.000 2.731 834 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 834 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 834 G C -0.248 174.628 174.900 -0.040 0.000 1.349 834 G CA 1.164 46.240 45.100 -0.040 0.000 1.225 834 G HN 0.952 nan 8.290 nan 0.000 0.526 835 D N -0.075 120.295 120.400 -0.050 0.000 2.520 835 D HA 0.350 4.991 4.640 0.001 0.000 0.223 835 D C 2.163 178.437 176.300 -0.043 0.000 1.186 835 D CA 0.392 54.366 54.000 -0.043 0.000 0.821 835 D CB 0.227 40.999 40.800 -0.047 0.000 1.072 835 D HN 0.378 nan 8.370 nan 0.000 0.518 836 L N 0.674 121.867 121.223 -0.050 0.000 2.141 836 L HA -0.006 4.335 4.340 0.001 0.000 0.209 836 L C 2.132 178.987 176.870 -0.025 0.000 1.094 836 L CA 1.026 55.840 54.840 -0.043 0.000 0.763 836 L CB -0.289 41.741 42.059 -0.048 0.000 0.908 836 L HN 0.168 nan 8.230 nan 0.000 0.437 837 E N 0.450 120.637 120.200 -0.022 0.000 2.051 837 E HA -0.219 4.132 4.350 0.001 0.000 0.192 837 E C 2.025 178.615 176.600 -0.016 0.000 0.991 837 E CA 1.156 57.547 56.400 -0.014 0.000 0.799 837 E CB -0.046 29.646 29.700 -0.012 0.000 0.748 837 E HN 0.436 nan 8.360 nan 0.000 0.449 838 K N 1.716 122.104 120.400 -0.020 0.000 1.975 838 K HA 0.043 4.364 4.320 0.001 0.000 0.210 838 K C 1.313 177.901 176.600 -0.020 0.000 1.041 838 K CA 0.945 57.220 56.287 -0.020 0.000 0.942 838 K CB -0.815 31.671 32.500 -0.023 0.000 0.729 838 K HN 0.115 nan 8.250 nan 0.000 0.439 852 K N 1.120 121.512 120.400 -0.013 0.000 2.354 852 K HA 0.295 4.616 4.320 0.001 0.000 0.194 852 K C 1.799 178.458 176.600 0.098 0.000 1.045 852 K CA 0.937 57.237 56.287 0.021 0.000 1.026 852 K CB 0.318 32.821 32.500 0.004 0.000 0.866 852 K HN 0.003 nan 8.250 nan 0.000 0.530 853 A N 0.478 123.382 122.820 0.139 0.000 2.178 853 A HA -0.090 4.230 4.320 0.001 0.000 0.218 853 A C 0.903 178.432 177.584 -0.093 0.000 1.157 853 A CA 0.827 52.867 52.037 0.004 0.000 0.689 853 A CB -0.615 18.334 19.000 -0.085 0.000 0.787 853 A HN 0.458 nan 8.150 nan 0.000 0.465 854 Y N -0.682 119.584 120.300 -0.055 0.000 2.500 854 Y HA 0.210 4.761 4.550 0.001 0.000 0.270 854 Y C 1.824 177.682 175.900 -0.070 0.000 1.134 854 Y CA -0.636 57.443 58.100 -0.035 0.000 1.293 854 Y CB -0.330 38.121 38.460 -0.015 0.000 1.063 854 Y HN 0.222 nan 8.280 nan 0.000 0.534 855 I N 0.795 121.363 120.570 -0.003 0.000 2.623 855 I HA -0.216 3.955 4.170 0.001 0.000 0.261 855 I C -1.047 174.827 176.117 -0.404 0.000 1.204 855 I CA 1.085 62.160 61.300 -0.374 0.000 1.444 855 I CB -1.172 36.539 38.000 -0.481 0.000 1.094 855 I HN 0.189 nan 8.210 nan 0.000 0.451 856 P HA -0.054 nan 4.420 nan 0.000 0.213 856 P C 1.384 178.619 177.300 -0.108 0.000 1.156 856 P CA 0.964 63.994 63.100 -0.117 0.000 0.884 856 P CB 0.031 31.751 31.700 0.032 0.000 0.774 857 E N 0.171 120.346 120.200 -0.041 0.000 2.077 857 E HA -0.136 4.215 4.350 0.001 0.000 0.193 857 E C 2.043 178.667 176.600 0.039 0.000 0.989 857 E CA 0.961 57.366 56.400 0.007 0.000 0.800 857 E CB -1.311 28.402 29.700 0.023 0.000 0.746 857 E HN 0.129 nan 8.360 nan 0.000 0.452 858 L N 0.534 121.800 121.223 0.070 0.000 1.990 858 L HA -0.273 4.067 4.340 0.001 0.000 0.213 858 L C 2.935 179.864 176.870 0.098 0.000 1.072 858 L CA 1.910 56.836 54.840 0.142 0.000 0.755 858 L CB -0.380 41.844 42.059 0.274 0.000 0.889 858 L HN 0.223 nan 8.230 nan 0.000 0.432 859 Q N -0.040 119.732 119.800 -0.046 0.000 2.079 859 Q HA -0.164 4.177 4.340 0.001 0.000 0.200 859 Q C 2.081 178.000 176.000 -0.136 0.000 0.974 859 Q CA 1.469 57.176 55.803 -0.160 0.000 0.840 859 Q CB -0.028 28.254 28.738 -0.761 0.000 0.898 859 Q HN 0.342 nan 8.270 nan 0.000 0.430 860 I N 0.028 120.508 120.570 -0.149 0.000 2.127 860 I HA -0.275 3.896 4.170 0.001 0.000 0.241 860 I C 2.303 178.461 176.117 0.069 0.000 1.075 860 I CA 1.762 63.055 61.300 -0.012 0.000 1.334 860 I CB -1.504 36.516 38.000 0.033 0.000 1.040 860 I HN 0.299 nan 8.210 nan 0.000 0.405 861 S N 0.545 116.305 115.700 0.101 0.000 2.400 861 S HA -0.207 4.264 4.470 0.001 0.000 0.232 861 S C 1.989 176.732 174.600 0.239 0.000 1.025 861 S CA 0.997 59.298 58.200 0.170 0.000 0.993 861 S CB -0.418 62.860 63.200 0.131 0.000 0.808 861 S HN 0.352 nan 8.310 nan 0.000 0.478 862 F N 2.762 122.727 119.950 0.024 0.000 2.014 862 F HA -0.038 4.490 4.527 0.001 0.000 0.295 862 F C 2.120 177.938 175.800 0.030 0.000 1.145 862 F CA 1.951 59.959 58.000 0.014 0.000 1.178 862 F CB -1.229 37.759 39.000 -0.020 0.000 0.972 862 F HN 0.209 nan 8.300 nan 0.000 0.476 863 M N 0.283 119.792 119.600 -0.152 0.000 2.113 863 M HA -0.272 4.208 4.480 0.001 0.000 0.255 863 M C 1.954 178.178 176.300 -0.126 0.000 1.073 863 M CA 2.225 57.386 55.300 -0.233 0.000 1.091 863 M CB -1.142 31.419 32.600 -0.066 0.000 1.309 863 M HN 0.187 nan 8.290 nan 0.000 0.407 864 E N -0.308 119.879 120.200 -0.022 0.000 2.085 864 E HA -0.212 4.139 4.350 0.001 0.000 0.194 864 E C 1.790 178.322 176.600 -0.113 0.000 0.994 864 E CA 1.833 58.211 56.400 -0.038 0.000 0.801 864 E CB -0.455 29.254 29.700 0.015 0.000 0.743 864 E HN 0.706 nan 8.360 nan 0.000 0.453 865 H N -1.046 117.995 119.070 -0.048 0.000 2.486 865 H HA 0.130 4.687 4.556 0.001 0.000 0.287 865 H C 1.727 176.977 175.328 -0.131 0.000 1.010 865 H CA 0.549 56.556 56.048 -0.068 0.000 1.324 865 H CB 0.580 30.332 29.762 -0.016 0.000 1.446 865 H HN 0.026 nan 8.280 nan 0.000 0.537 866 I N -0.971 119.590 120.570 -0.015 0.000 3.744 866 I HA 0.154 4.325 4.170 0.001 0.000 0.240 866 I C 2.389 178.371 176.117 -0.226 0.000 1.096 866 I CA 0.960 62.208 61.300 -0.086 0.000 1.558 866 I CB -1.191 36.890 38.000 0.135 0.000 1.531 866 I HN 0.174 nan 8.210 nan 0.000 0.459 867 A N 1.218 123.721 122.820 -0.527 0.000 1.903 867 A HA -0.263 4.058 4.320 0.001 0.000 0.219 867 A C 2.365 179.846 177.584 -0.172 0.000 1.191 867 A CA 2.344 54.121 52.037 -0.433 0.000 0.638 867 A CB -0.748 17.879 19.000 -0.621 0.000 0.823 867 A HN 0.426 nan 8.150 nan 0.000 0.451 868 M N -1.104 118.387 119.600 -0.182 0.000 2.099 868 M HA -0.064 4.417 4.480 0.001 0.000 0.262 868 M C -0.715 175.489 176.300 -0.161 0.000 1.067 868 M CA 1.598 56.790 55.300 -0.181 0.000 1.124 868 M CB -1.018 31.452 32.600 -0.216 0.000 1.353 868 M HN 0.153 nan 8.290 nan 0.000 0.410 869 P HA -0.115 nan 4.420 nan 0.000 0.223 869 P C 1.144 178.525 177.300 0.136 0.000 1.144 869 P CA 1.267 64.397 63.100 0.049 0.000 0.783 869 P CB -0.233 31.466 31.700 -0.002 0.000 0.771 870 I N -2.222 118.350 120.570 0.002 0.000 2.130 870 I HA -0.229 3.942 4.170 0.001 0.000 0.234 870 I C 2.091 178.095 176.117 -0.188 0.000 1.067 870 I CA 1.387 62.619 61.300 -0.113 0.000 1.339 870 I CB -0.841 36.912 38.000 -0.411 0.000 1.073 870 I HN -0.106 nan 8.210 nan 0.000 0.405 871 Y N 0.994 121.246 120.300 -0.079 0.000 2.483 871 Y HA -0.257 4.294 4.550 0.001 0.000 0.291 871 Y C 2.423 178.336 175.900 0.021 0.000 1.143 871 Y CA 1.171 59.232 58.100 -0.065 0.000 1.289 871 Y CB -0.370 38.006 38.460 -0.140 0.000 0.983 871 Y HN 0.149 nan 8.280 nan 0.000 0.556 872 K N 0.802 121.260 120.400 0.096 0.000 2.155 872 K HA -0.057 4.264 4.320 0.001 0.000 0.203 872 K C 1.553 178.280 176.600 0.213 0.000 1.052 872 K CA 1.185 57.660 56.287 0.314 0.000 0.948 872 K CB -0.368 32.279 32.500 0.245 0.000 0.728 872 K HN 0.322 nan 8.250 nan 0.000 0.448 873 L N 0.222 121.516 121.223 0.118 0.000 2.131 873 L HA -0.004 4.336 4.340 0.001 0.000 0.206 873 L C 2.297 179.213 176.870 0.077 0.000 1.087 873 L CA 0.636 55.510 54.840 0.057 0.000 0.767 873 L CB -0.324 41.744 42.059 0.015 0.000 0.917 873 L HN 0.251 nan 8.230 nan 0.000 0.441 874 L N 0.119 121.412 121.223 0.116 0.000 2.083 874 L HA -0.235 4.105 4.340 0.001 0.000 0.209 874 L C 2.490 179.533 176.870 0.288 0.000 1.083 874 L CA 1.497 56.464 54.840 0.210 0.000 0.752 874 L CB -0.199 41.961 42.059 0.169 0.000 0.899 874 L HN 0.458 nan 8.230 nan 0.000 0.433 875 Q N -1.204 118.731 119.800 0.224 0.000 2.360 875 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 875 Q C 0.437 176.496 176.000 0.099 0.000 0.915 875 Q CA 0.436 56.353 55.803 0.190 0.000 0.943 875 Q CB 0.348 29.214 28.738 0.213 0.000 1.064 875 Q HN 0.328 nan 8.270 nan 0.000 0.511 876 D N -0.081 120.358 120.400 0.064 0.000 2.328 876 D HA 0.159 4.800 4.640 0.001 0.000 0.221 876 D C 0.847 177.080 176.300 -0.112 0.000 1.072 876 D CA 0.273 54.269 54.000 -0.007 0.000 0.850 876 D CB 0.560 41.363 40.800 0.006 0.000 0.922 876 D HN 0.320 nan 8.370 nan 0.000 0.516 877 L N -2.059 119.034 121.223 -0.217 0.000 2.815 877 L HA 0.289 4.630 4.340 0.001 0.000 0.241 877 L C -0.319 176.003 176.870 -0.913 0.000 1.047 877 L CA 0.026 54.500 54.840 -0.609 0.000 0.939 877 L CB 0.563 42.097 42.059 -0.873 0.000 1.490 877 L HN -0.233 nan 8.230 nan 0.000 0.510 878 F N 0.360 120.258 119.950 -0.088 0.000 2.445 878 F HA 0.441 4.969 4.527 0.001 0.000 0.348 878 F C -2.053 173.754 175.800 0.011 0.000 1.125 878 F CA -1.886 56.077 58.000 -0.061 0.000 0.983 878 F CB 1.038 39.969 39.000 -0.115 0.000 1.198 878 F HN -0.293 nan 8.300 nan 0.000 0.436 879 P HA -0.040 nan 4.420 nan 0.000 0.229 879 P C 0.907 178.293 177.300 0.144 0.000 1.160 879 P CA 1.079 64.245 63.100 0.110 0.000 0.777 879 P CB 0.222 31.964 31.700 0.069 0.000 0.814 880 K N -0.316 120.196 120.400 0.188 0.000 2.365 880 K HA 0.097 4.418 4.320 0.001 0.000 0.199 880 K C 1.601 178.366 176.600 0.275 0.000 1.045 880 K CA 0.809 57.219 56.287 0.205 0.000 0.962 880 K CB -0.247 32.364 32.500 0.186 0.000 0.759 880 K HN 0.036 nan 8.250 nan 0.000 0.469 881 A N 0.883 123.852 122.820 0.249 0.000 2.327 881 A HA 0.263 4.584 4.320 0.001 0.000 0.228 881 A C 1.881 179.546 177.584 0.134 0.000 1.275 881 A CA 0.527 52.675 52.037 0.185 0.000 0.875 881 A CB -0.338 18.790 19.000 0.213 0.000 0.925 881 A HN 0.265 nan 8.150 nan 0.000 0.493 882 A N 0.297 123.196 122.820 0.131 0.000 1.930 882 A HA -0.084 4.237 4.320 0.001 0.000 0.215 882 A C 1.885 179.518 177.584 0.081 0.000 1.176 882 A CA 1.356 53.455 52.037 0.103 0.000 0.632 882 A CB -0.406 18.631 19.000 0.061 0.000 0.819 882 A HN 0.653 nan 8.150 nan 0.000 0.445 883 E N 0.302 120.542 120.200 0.066 0.000 2.219 883 E HA -0.216 4.135 4.350 0.001 0.000 0.198 883 E C 1.704 178.287 176.600 -0.029 0.000 0.998 883 E CA 1.405 57.831 56.400 0.043 0.000 0.818 883 E CB -0.295 29.467 29.700 0.103 0.000 0.741 883 E HN 0.664 nan 8.360 nan 0.000 0.477 884 L N -0.413 120.743 121.223 -0.113 0.000 2.044 884 L HA -0.100 4.241 4.340 0.001 0.000 0.205 884 L C 2.560 179.373 176.870 -0.094 0.000 1.075 884 L CA 1.320 56.038 54.840 -0.204 0.000 0.747 884 L CB -0.877 41.034 42.059 -0.248 0.000 0.903 884 L HN 0.225 nan 8.230 nan 0.000 0.435 885 Y N 1.820 122.083 120.300 -0.062 0.000 2.014 885 Y HA -0.388 4.163 4.550 0.001 0.000 0.270 885 Y C 2.802 178.685 175.900 -0.028 0.000 1.145 885 Y CA 2.247 60.350 58.100 0.005 0.000 1.106 885 Y CB -0.168 38.325 38.460 0.055 0.000 0.968 885 Y HN 0.300 nan 8.280 nan 0.000 0.484 886 E N -0.112 120.334 120.200 0.409 0.000 2.187 886 E HA -0.289 4.062 4.350 0.001 0.000 0.199 886 E C 2.120 178.805 176.600 0.142 0.000 1.004 886 E CA 1.309 57.860 56.400 0.252 0.000 0.813 886 E CB -0.506 29.249 29.700 0.090 0.000 0.736 886 E HN 0.375 nan 8.360 nan 0.000 0.468 887 R N 0.654 121.188 120.500 0.056 0.000 2.235 887 R HA 0.014 4.355 4.340 0.001 0.000 0.213 887 R C 2.011 178.296 176.300 -0.025 0.000 1.059 887 R CA 0.587 56.688 56.100 0.002 0.000 0.997 887 R CB 0.085 30.353 30.300 -0.052 0.000 0.884 887 R HN 0.214 nan 8.270 nan 0.000 0.462 888 V N -0.133 119.746 119.914 -0.058 0.000 2.436 888 V HA -0.026 4.095 4.120 0.001 0.000 0.240 888 V C 2.341 178.448 176.094 0.021 0.000 1.040 888 V CA 1.362 63.614 62.300 -0.080 0.000 1.052 888 V CB -0.331 31.358 31.823 -0.224 0.000 0.707 888 V HN 0.254 nan 8.190 nan 0.000 0.469 889 A N 0.353 123.210 122.820 0.061 0.000 1.917 889 A HA -0.288 4.033 4.320 0.001 0.000 0.219 889 A C 2.570 180.233 177.584 0.131 0.000 1.182 889 A CA 2.720 54.839 52.037 0.137 0.000 0.633 889 A CB -0.804 18.393 19.000 0.328 0.000 0.819 889 A HN 0.623 nan 8.150 nan 0.000 0.448 890 S N -0.071 115.704 115.700 0.126 0.000 2.345 890 S HA -0.193 4.277 4.470 0.001 0.000 0.219 890 S C 1.910 176.618 174.600 0.180 0.000 1.031 890 S CA 1.525 59.805 58.200 0.134 0.000 0.984 890 S CB -0.654 62.621 63.200 0.126 0.000 0.874 890 S HN 0.518 nan 8.310 nan 0.000 0.451 891 N N 1.756 120.536 118.700 0.132 0.000 2.137 891 N HA -0.076 4.664 4.740 0.001 0.000 0.190 891 N C 1.898 177.562 175.510 0.257 0.000 1.017 891 N CA 0.943 54.069 53.050 0.127 0.000 0.859 891 N CB -0.710 37.883 38.487 0.176 0.000 1.002 891 N HN 0.381 nan 8.380 nan 0.000 0.428 892 R N 1.273 121.932 120.500 0.265 0.000 2.103 892 R HA -0.158 4.183 4.340 0.001 0.000 0.242 892 R C 1.608 178.048 176.300 0.234 0.000 1.142 892 R CA 1.461 57.735 56.100 0.290 0.000 0.960 892 R CB -0.401 29.995 30.300 0.160 0.000 0.858 892 R HN 0.188 nan 8.270 nan 0.000 0.439 893 E N -0.406 119.878 120.200 0.140 0.000 2.077 893 E HA -0.152 4.199 4.350 0.001 0.000 0.193 893 E C 1.876 178.429 176.600 -0.078 0.000 0.989 893 E CA 1.638 58.064 56.400 0.044 0.000 0.800 893 E CB -0.258 29.449 29.700 0.012 0.000 0.746 893 E HN 0.478 nan 8.360 nan 0.000 0.452 894 H N -1.412 117.417 119.070 -0.403 0.000 2.319 894 H HA -0.098 4.459 4.556 0.001 0.000 0.299 894 H C 1.727 176.687 175.328 -0.613 0.000 1.092 894 H CA 1.905 57.447 56.048 -0.844 0.000 1.302 894 H CB -0.639 27.892 29.762 -2.051 0.000 1.373 894 H HN 0.279 nan 8.280 nan 0.000 0.497 895 W N 0.408 121.597 121.300 -0.184 0.000 2.325 895 W HA -0.240 4.421 4.660 0.001 0.000 0.299 895 W C 2.608 179.064 176.519 -0.104 0.000 1.215 895 W CA 1.369 58.723 57.345 0.015 0.000 1.244 895 W CB -0.403 29.145 29.460 0.145 0.000 1.140 895 W HN 0.098 nan 8.180 nan 0.000 0.523 896 T N 0.196 114.803 114.554 0.088 0.000 2.746 896 T HA -0.196 4.155 4.350 0.001 0.000 0.267 896 T C 1.617 176.003 174.700 -0.524 0.000 1.039 896 T CA 1.597 63.629 62.100 -0.114 0.000 1.142 896 T CB -0.131 68.721 68.868 -0.027 0.000 0.866 896 T HN 0.144 nan 8.240 nan 0.000 0.444 897 K N 0.833 121.012 120.400 -0.368 0.000 2.097 897 K HA -0.031 4.290 4.320 0.001 0.000 0.205 897 K C 2.272 178.727 176.600 -0.242 0.000 1.050 897 K CA 1.272 57.355 56.287 -0.338 0.000 0.938 897 K CB -0.320 32.081 32.500 -0.165 0.000 0.718 897 K HN 0.337 nan 8.250 nan 0.000 0.442 898 V N 0.314 120.152 119.914 -0.127 0.000 2.759 898 V HA -0.212 3.909 4.120 0.001 0.000 0.256 898 V C 2.436 178.529 176.094 -0.000 0.000 1.080 898 V CA 1.888 64.195 62.300 0.012 0.000 1.101 898 V CB -0.881 31.047 31.823 0.176 0.000 0.698 898 V HN 0.311 nan 8.190 nan 0.000 0.477 899 S N -0.308 115.328 115.700 -0.106 0.000 2.383 899 S HA -0.144 4.327 4.470 0.001 0.000 0.227 899 S C 1.269 175.828 174.600 -0.068 0.000 1.026 899 S CA 0.382 58.517 58.200 -0.107 0.000 0.981 899 S CB -0.746 62.364 63.200 -0.150 0.000 0.818 899 S HN 0.705 nan 8.310 nan 0.000 0.472 900 H N 0.000 119.079 119.070 0.015 0.000 2.539 900 H HA 0.000 4.557 4.556 0.001 0.000 0.296 900 H CA 0.000 56.046 56.048 -0.003 0.000 1.023 900 H CB 0.000 29.755 29.762 -0.012 0.000 1.292 900 H HN 0.000 nan 8.280 nan 0.000 0.496