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_B 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 KVXXXXXXXX XSYEIRIPAD QGIAGHVATT DATA SEQUENCE GQILNIPDAY XXXXXXXXXX XXXXXRTRNI 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 TNXXXXXXXK SVLAALYSSE DATA SEQUENCE GSVMERHHFA QAIAILNTHG CNIFDHFSRK DYQRMLDLMR DIILATDLAH DATA SEQUENCE HLRIFKDLQK MAEVGYDRNN KQHHRLLLCL LMTSCDLSDQ TKGWKTTRKI DATA SEQUENCE AELIYKEFFS QGDLEKAXXX XXXXXMDREK AYIPELQISF MEHIAMPIYK DATA SEQUENCE LLQDLFPKAA ELYERVASNR EHWTKVSHLV PR 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 0.000 175.901 175.900 0.002 0.000 1.272 223 Y CA 0.000 58.095 58.100 -0.008 0.000 1.940 223 Y CB 0.000 38.457 38.460 -0.005 0.000 1.050 224 T N 1.187 115.241 114.554 -0.833 0.000 3.025 224 T HA -0.113 4.239 4.350 0.003 0.000 0.270 224 T C 1.198 175.702 174.700 -0.326 0.000 1.126 224 T CA 1.862 63.631 62.100 -0.552 0.000 1.105 224 T CB -0.151 68.332 68.868 -0.641 0.000 0.884 224 T HN 0.572 nan 8.240 nan 0.000 0.522 225 D N 0.405 120.685 120.400 -0.200 0.000 2.234 225 D HA 0.005 4.647 4.640 0.003 0.000 0.205 225 D C 2.280 178.651 176.300 0.119 0.000 0.962 225 D CA 0.524 54.605 54.000 0.134 0.000 0.855 225 D CB 0.209 41.284 40.800 0.459 0.000 0.951 225 D HN 0.251 nan 8.370 nan 0.000 0.500 226 R N 0.565 121.129 120.500 0.106 0.000 2.093 226 R HA -0.045 4.297 4.340 0.003 0.000 0.224 226 R C 0.620 177.052 176.300 0.219 0.000 1.101 226 R CA 0.611 56.793 56.100 0.138 0.000 0.979 226 R CB -0.119 30.150 30.300 -0.052 0.000 0.877 226 R HN 0.099 nan 8.270 nan 0.000 0.441 227 D N 0.156 120.634 120.400 0.129 0.000 2.355 227 D HA -0.007 4.635 4.640 0.003 0.000 0.253 227 D C 1.298 177.600 176.300 0.003 0.000 1.187 227 D CA 0.487 54.534 54.000 0.079 0.000 0.900 227 D CB 0.132 40.947 40.800 0.025 0.000 0.915 227 D HN 0.119 nan 8.370 nan 0.000 0.516 228 R N -0.206 120.317 120.500 0.039 0.000 2.197 228 R HA 0.154 4.496 4.340 0.003 0.000 0.188 228 R C 1.741 178.070 176.300 0.049 0.000 1.015 228 R CA -0.013 56.101 56.100 0.022 0.000 1.132 228 R CB 0.540 30.860 30.300 0.034 0.000 1.134 228 R HN -0.070 nan 8.270 nan 0.000 0.560 229 K N 0.634 121.098 120.400 0.106 0.000 2.097 229 K HA -0.095 4.227 4.320 0.003 0.000 0.206 229 K C 1.837 178.526 176.600 0.149 0.000 1.049 229 K CA 0.980 57.366 56.287 0.166 0.000 0.933 229 K CB -0.019 32.630 32.500 0.248 0.000 0.717 229 K HN 0.082 nan 8.250 nan 0.000 0.442 230 I N 1.585 122.218 120.570 0.105 0.000 2.133 230 I HA -0.206 3.967 4.170 0.003 0.000 0.238 230 I C 2.147 178.193 176.117 -0.117 0.000 1.074 230 I CA 0.801 62.066 61.300 -0.058 0.000 1.342 230 I CB -0.840 37.108 38.000 -0.086 0.000 1.053 230 I HN 0.125 nan 8.210 nan 0.000 0.404 231 L N 0.739 121.889 121.223 -0.120 0.000 2.129 231 L HA -0.251 4.091 4.340 0.003 0.000 0.212 231 L C 2.419 179.252 176.870 -0.062 0.000 1.087 231 L CA 1.770 56.538 54.840 -0.121 0.000 0.757 231 L CB -1.297 40.697 42.059 -0.108 0.000 0.896 231 L HN 0.451 nan 8.230 nan 0.000 0.434 232 Q N -1.634 118.152 119.800 -0.024 0.000 2.167 232 Q HA -0.193 4.149 4.340 0.003 0.000 0.202 232 Q C 2.085 178.087 176.000 0.003 0.000 0.970 232 Q CA 1.013 56.819 55.803 0.006 0.000 0.855 232 Q CB 0.038 28.801 28.738 0.042 0.000 0.911 232 Q HN 0.415 nan 8.270 nan 0.000 0.438 233 L N 0.652 121.854 121.223 -0.036 0.000 1.937 233 L HA -0.184 4.158 4.340 0.003 0.000 0.213 233 L C 2.343 179.177 176.870 -0.061 0.000 1.077 233 L CA 1.829 56.619 54.840 -0.083 0.000 0.758 233 L CB -1.373 40.532 42.059 -0.257 0.000 0.888 233 L HN 0.426 nan 8.230 nan 0.000 0.433 234 C N 0.343 119.592 119.300 -0.085 0.000 2.397 234 C HA -0.140 4.322 4.460 0.003 0.000 0.286 234 C C 2.681 177.675 174.990 0.007 0.000 1.308 234 C CA 0.450 59.439 59.018 -0.048 0.000 1.805 234 C CB -2.368 25.333 27.740 -0.064 0.000 1.952 234 C HN 0.763 nan 8.230 nan 0.000 0.518 235 G N 0.036 108.844 108.800 0.012 0.000 2.422 235 G HA2 -0.137 3.825 3.960 0.003 0.000 0.218 235 G HA3 -0.137 3.825 3.960 0.003 0.000 0.218 235 G C 1.688 176.682 174.900 0.157 0.000 1.140 235 G CA 0.580 45.708 45.100 0.046 0.000 0.775 235 G HN 0.520 nan 8.290 nan 0.000 0.545 236 E N 0.062 120.358 120.200 0.159 0.000 2.190 236 E HA 0.103 4.455 4.350 0.003 0.000 0.191 236 E C 1.305 177.944 176.600 0.065 0.000 0.978 236 E CA -0.045 56.504 56.400 0.248 0.000 0.839 236 E CB -0.065 29.701 29.700 0.111 0.000 0.787 236 E HN 0.360 nan 8.360 nan 0.000 0.473 237 L N 2.572 123.792 121.223 -0.004 0.000 2.388 237 L HA 0.000 4.343 4.340 0.003 0.000 0.252 237 L C 0.280 177.113 176.870 -0.063 0.000 1.357 237 L CA -0.008 54.766 54.840 -0.111 0.000 1.214 237 L CB -0.782 41.236 42.059 -0.069 0.000 1.392 237 L HN 0.132 nan 8.230 nan 0.000 0.432 238 Y N -2.697 117.589 120.300 -0.024 0.000 2.682 238 Y HA 0.454 5.006 4.550 0.003 0.000 0.251 238 Y C -0.061 175.824 175.900 -0.025 0.000 1.172 238 Y CA -1.716 56.368 58.100 -0.028 0.000 1.186 238 Y CB -0.654 37.790 38.460 -0.027 0.000 1.216 238 Y HN 0.238 nan 8.280 nan 0.000 0.540 239 D N 1.310 121.469 120.400 -0.401 0.000 2.339 239 D HA 0.190 4.832 4.640 0.003 0.000 0.245 239 D C 0.876 177.122 176.300 -0.090 0.000 1.115 239 D CA -0.115 53.739 54.000 -0.244 0.000 0.917 239 D CB 1.608 42.250 40.800 -0.264 0.000 1.192 239 D HN 0.252 nan 8.370 nan 0.000 0.428 240 L N 0.276 121.473 121.223 -0.044 0.000 2.446 240 L HA 0.070 4.412 4.340 0.003 0.000 0.219 240 L C 0.502 177.377 176.870 0.009 0.000 1.116 240 L CA 0.457 55.280 54.840 -0.028 0.000 0.844 240 L CB -0.038 42.014 42.059 -0.012 0.000 0.970 240 L HN 0.410 nan 8.230 nan 0.000 0.457 241 D N -0.206 120.194 120.400 0.001 0.000 2.295 241 D HA 0.286 4.928 4.640 0.003 0.000 0.248 241 D C 0.983 177.288 176.300 0.008 0.000 1.154 241 D CA 0.139 54.151 54.000 0.021 0.000 0.857 241 D CB 1.787 42.592 40.800 0.009 0.000 1.117 241 D HN 0.081 nan 8.370 nan 0.000 0.468 242 A N 2.765 125.603 122.820 0.030 0.000 2.076 242 A HA -0.148 4.174 4.320 0.003 0.000 0.220 242 A C 2.172 179.760 177.584 0.006 0.000 1.160 242 A CA 1.259 53.306 52.037 0.017 0.000 0.653 242 A CB -0.268 18.746 19.000 0.024 0.000 0.801 242 A HN 0.532 nan 8.150 nan 0.000 0.455 243 S N -0.046 115.658 115.700 0.007 0.000 2.345 243 S HA -0.090 4.382 4.470 0.003 0.000 0.219 243 S C 2.231 176.831 174.600 -0.000 0.000 1.031 243 S CA 1.470 59.674 58.200 0.007 0.000 0.984 243 S CB -0.247 62.959 63.200 0.010 0.000 0.874 243 S HN 0.735 nan 8.310 nan 0.000 0.451 244 S N 1.706 117.397 115.700 -0.015 0.000 2.447 244 S HA 0.089 4.561 4.470 0.003 0.000 0.233 244 S C 1.681 176.246 174.600 -0.057 0.000 1.006 244 S CA 0.598 58.777 58.200 -0.035 0.000 0.957 244 S CB -0.303 62.865 63.200 -0.053 0.000 0.773 244 S HN 0.355 nan 8.310 nan 0.000 0.507 245 L N 1.142 122.334 121.223 -0.051 0.000 2.095 245 L HA -0.051 4.291 4.340 0.003 0.000 0.204 245 L C 2.820 179.680 176.870 -0.016 0.000 1.080 245 L CA 0.963 55.769 54.840 -0.057 0.000 0.759 245 L CB -0.543 41.490 42.059 -0.043 0.000 0.914 245 L HN 0.328 nan 8.230 nan 0.000 0.439 246 Q N 0.018 119.823 119.800 0.009 0.000 2.181 246 Q HA -0.218 4.124 4.340 0.003 0.000 0.205 246 Q C 2.312 178.337 176.000 0.042 0.000 0.980 246 Q CA 1.324 57.151 55.803 0.040 0.000 0.862 246 Q CB -0.145 28.618 28.738 0.042 0.000 0.905 246 Q HN 0.545 nan 8.270 nan 0.000 0.429 247 L N 0.731 121.968 121.223 0.023 0.000 1.976 247 L HA -0.231 4.111 4.340 0.003 0.000 0.209 247 L C 2.438 179.328 176.870 0.033 0.000 1.071 247 L CA 1.429 56.288 54.840 0.031 0.000 0.746 247 L CB -0.424 41.644 42.059 0.016 0.000 0.890 247 L HN 0.184 nan 8.230 nan 0.000 0.432 248 K N -0.319 120.085 120.400 0.006 0.000 2.034 248 K HA -0.215 4.107 4.320 0.003 0.000 0.214 248 K C 1.919 178.531 176.600 0.021 0.000 1.051 248 K CA 1.830 58.121 56.287 0.006 0.000 0.931 248 K CB -0.619 31.857 32.500 -0.040 0.000 0.715 248 K HN 0.150 nan 8.250 nan 0.000 0.446 249 V N 1.573 121.484 119.914 -0.005 0.000 2.343 249 V HA -0.240 3.883 4.120 0.003 0.000 0.247 249 V C 2.317 178.450 176.094 0.065 0.000 1.051 249 V CA 1.423 63.703 62.300 -0.034 0.000 1.036 249 V CB -0.497 31.311 31.823 -0.026 0.000 0.654 249 V HN 0.182 nan 8.190 nan 0.000 0.451 250 L N -0.328 120.951 121.223 0.093 0.000 1.976 250 L HA -0.185 4.157 4.340 0.003 0.000 0.209 250 L C 2.567 179.511 176.870 0.122 0.000 1.071 250 L CA 1.891 56.801 54.840 0.116 0.000 0.746 250 L CB -1.376 40.746 42.059 0.105 0.000 0.890 250 L HN 0.309 nan 8.230 nan 0.000 0.432 251 Q N -1.887 117.976 119.800 0.105 0.000 2.268 251 Q HA -0.278 4.064 4.340 0.003 0.000 0.210 251 Q C 2.060 178.136 176.000 0.127 0.000 0.988 251 Q CA 2.081 57.943 55.803 0.099 0.000 0.883 251 Q CB -0.504 28.280 28.738 0.077 0.000 0.911 251 Q HN 0.692 nan 8.270 nan 0.000 0.430 252 Y N -0.790 119.508 120.300 -0.004 0.000 2.337 252 Y HA -0.032 4.519 4.550 0.003 0.000 0.293 252 Y C 1.358 177.249 175.900 -0.016 0.000 1.123 252 Y CA 0.690 58.783 58.100 -0.012 0.000 1.201 252 Y CB 0.136 38.576 38.460 -0.032 0.000 1.011 252 Y HN 0.021 nan 8.280 nan 0.000 0.545 253 L N 0.360 121.740 121.223 0.262 0.000 2.068 253 L HA -0.160 4.182 4.340 0.003 0.000 0.204 253 L C 2.569 179.441 176.870 0.003 0.000 1.076 253 L CA 1.320 56.212 54.840 0.086 0.000 0.753 253 L CB -0.777 41.361 42.059 0.130 0.000 0.910 253 L HN 0.185 nan 8.230 nan 0.000 0.439 254 Q N -0.250 119.581 119.800 0.052 0.000 2.315 254 Q HA -0.301 4.041 4.340 0.003 0.000 0.213 254 Q C 2.059 178.072 176.000 0.020 0.000 0.994 254 Q CA 1.884 57.721 55.803 0.055 0.000 0.906 254 Q CB 0.042 28.822 28.738 0.069 0.000 0.918 254 Q HN 0.546 nan 8.270 nan 0.000 0.427 255 Q N -0.561 119.215 119.800 -0.040 0.000 1.962 255 Q HA -0.061 4.282 4.340 0.003 0.000 0.204 255 Q C 1.449 177.380 176.000 -0.115 0.000 0.979 255 Q CA 0.610 56.364 55.803 -0.082 0.000 0.847 255 Q CB 0.063 28.721 28.738 -0.133 0.000 0.906 255 Q HN 0.253 nan 8.270 nan 0.000 0.458 256 E N 0.721 120.766 120.200 -0.257 0.000 2.476 256 E HA -0.171 4.181 4.350 0.003 0.000 0.206 256 E C 1.082 177.629 176.600 -0.088 0.000 1.079 256 E CA 1.484 57.744 56.400 -0.234 0.000 0.891 256 E CB -0.396 29.028 29.700 -0.460 0.000 0.821 256 E HN 0.525 nan 8.360 nan 0.000 0.572 257 T N -3.405 111.139 114.554 -0.016 0.000 3.087 257 T HA 0.240 4.592 4.350 0.003 0.000 0.283 257 T C 0.353 175.162 174.700 0.181 0.000 0.956 257 T CA -0.524 61.636 62.100 0.099 0.000 0.894 257 T CB 0.292 69.211 68.868 0.086 0.000 1.160 257 T HN 0.056 nan 8.240 nan 0.000 0.532 258 R N 1.058 121.610 120.500 0.088 0.000 3.251 258 R HA -0.063 4.279 4.340 0.003 0.000 0.249 258 R C -0.039 176.340 176.300 0.131 0.000 0.949 258 R CA 0.540 56.681 56.100 0.069 0.000 0.645 258 R CB -2.544 27.770 30.300 0.023 0.000 1.065 258 R HN 0.692 nan 8.270 nan 0.000 0.452 259 A N 0.138 123.073 122.820 0.193 0.000 2.324 259 A HA 0.598 4.920 4.320 0.003 0.000 0.330 259 A C 1.293 178.985 177.584 0.180 0.000 1.165 259 A CA -0.180 52.036 52.037 0.297 0.000 0.813 259 A CB 1.108 20.304 19.000 0.326 0.000 1.197 259 A HN 0.354 nan 8.150 nan 0.000 0.484 260 S N 1.997 117.805 115.700 0.181 0.000 2.355 260 S HA 0.051 4.523 4.470 0.003 0.000 0.222 260 S C 0.880 175.570 174.600 0.150 0.000 1.031 260 S CA 0.693 58.973 58.200 0.133 0.000 0.993 260 S CB -0.060 63.208 63.200 0.114 0.000 0.859 260 S HN 0.693 nan 8.310 nan 0.000 0.453 261 R N -0.859 119.771 120.500 0.217 0.000 2.651 261 R HA 0.618 4.960 4.340 0.003 0.000 0.278 261 R C -1.857 174.615 176.300 0.288 0.000 1.010 261 R CA -0.523 55.713 56.100 0.227 0.000 0.896 261 R CB 1.992 32.416 30.300 0.206 0.000 1.211 261 R HN 0.258 nan 8.270 nan 0.000 0.456 262 C N 1.575 120.999 119.300 0.205 0.000 2.707 262 C HA 0.809 5.271 4.460 0.003 0.000 0.313 262 C C -0.329 174.764 174.990 0.172 0.000 1.209 262 C CA -0.490 58.609 59.018 0.136 0.000 1.635 262 C CB 1.221 29.007 27.740 0.077 0.000 2.206 262 C HN 1.004 nan 8.230 nan 0.000 0.485 263 C N 2.303 121.693 119.300 0.150 0.000 3.303 263 C HA 0.758 5.220 4.460 0.003 0.000 0.340 263 C C -2.029 173.032 174.990 0.119 0.000 1.274 263 C CA -0.833 58.285 59.018 0.165 0.000 1.234 263 C CB -0.245 27.639 27.740 0.241 0.000 1.532 263 C HN 0.852 nan 8.230 nan 0.000 0.483 264 L N 2.004 123.282 121.223 0.093 0.000 2.341 264 L HA 0.635 4.977 4.340 0.003 0.000 0.278 264 L C -0.483 176.402 176.870 0.024 0.000 1.005 264 L CA -0.583 54.275 54.840 0.031 0.000 0.818 264 L CB 1.662 43.713 42.059 -0.013 0.000 1.259 264 L HN 0.668 nan 8.230 nan 0.000 0.418 265 L N 5.347 126.576 121.223 0.009 0.000 2.288 265 L HA 0.368 4.711 4.340 0.003 0.000 0.283 265 L C -0.586 176.235 176.870 -0.081 0.000 1.072 265 L CA -0.631 54.199 54.840 -0.018 0.000 0.862 265 L CB 0.375 42.454 42.059 0.033 0.000 1.245 265 L HN 0.434 nan 8.230 nan 0.000 0.432 266 L N 3.427 124.591 121.223 -0.098 0.000 2.433 266 L HA 0.197 4.539 4.340 0.003 0.000 0.275 266 L C 0.381 177.179 176.870 -0.120 0.000 1.128 266 L CA -0.287 54.487 54.840 -0.110 0.000 0.875 266 L CB 0.136 42.136 42.059 -0.098 0.000 1.171 266 L HN 0.189 nan 8.230 nan 0.000 0.463 267 V N 3.224 123.074 119.914 -0.107 0.000 2.540 267 V HA -0.004 4.118 4.120 0.003 0.000 0.297 267 V C 1.078 177.118 176.094 -0.090 0.000 1.024 267 V CA 0.191 62.434 62.300 -0.095 0.000 1.105 267 V CB 1.043 32.820 31.823 -0.076 0.000 0.938 267 V HN 1.029 nan 8.190 nan 0.000 0.482 268 S N 4.159 119.805 115.700 -0.091 0.000 2.576 268 S HA 0.078 4.550 4.470 0.003 0.000 0.272 268 S C 1.108 175.670 174.600 -0.064 0.000 1.352 268 S CA -0.007 58.144 58.200 -0.081 0.000 1.021 268 S CB 0.656 63.807 63.200 -0.081 0.000 0.887 268 S HN 0.790 nan 8.310 nan 0.000 0.542 269 E N 1.072 121.235 120.200 -0.062 0.000 2.130 269 E HA -0.190 4.162 4.350 0.003 0.000 0.196 269 E C 0.925 177.500 176.600 -0.042 0.000 0.998 269 E CA 1.750 58.118 56.400 -0.052 0.000 0.806 269 E CB -0.218 29.450 29.700 -0.054 0.000 0.738 269 E HN 0.848 nan 8.360 nan 0.000 0.459 270 D N -0.069 120.308 120.400 -0.039 0.000 2.328 270 D HA -0.049 4.593 4.640 0.003 0.000 0.226 270 D C -0.078 176.206 176.300 -0.028 0.000 1.066 270 D CA 0.058 54.041 54.000 -0.029 0.000 0.861 270 D CB -0.396 40.389 40.800 -0.025 0.000 0.912 270 D HN 0.138 nan 8.370 nan 0.000 0.521 271 N N 0.457 119.136 118.700 -0.035 0.000 2.710 271 N HA -0.199 4.543 4.740 0.003 0.000 0.249 271 N C 0.329 175.823 175.510 -0.026 0.000 1.059 271 N CA 0.680 53.710 53.050 -0.033 0.000 0.720 271 N CB -1.156 37.315 38.487 -0.027 0.000 0.983 271 N HN 0.420 nan 8.380 nan 0.000 0.544 272 L N -3.915 117.290 121.223 -0.030 0.000 3.259 272 L HA 0.453 4.795 4.340 0.003 0.000 0.292 272 L C 0.147 177.000 176.870 -0.028 0.000 1.219 272 L CA 0.020 54.848 54.840 -0.020 0.000 1.035 272 L CB 0.647 42.699 42.059 -0.011 0.000 1.424 272 L HN 0.013 nan 8.230 nan 0.000 0.603 273 Q N 0.959 120.723 119.800 -0.059 0.000 2.426 273 Q HA 0.520 4.862 4.340 0.003 0.000 0.278 273 Q C -1.757 174.138 176.000 -0.176 0.000 1.007 273 Q CA -0.537 55.205 55.803 -0.103 0.000 0.850 273 Q CB 3.399 32.077 28.738 -0.100 0.000 1.427 273 Q HN 0.127 nan 8.270 nan 0.000 0.391 274 L N 1.599 122.629 121.223 -0.322 0.000 2.343 274 L HA 0.610 4.952 4.340 0.003 0.000 0.275 274 L C -0.330 176.209 176.870 -0.552 0.000 1.056 274 L CA -0.291 54.281 54.840 -0.447 0.000 0.804 274 L CB 1.737 43.421 42.059 -0.625 0.000 1.203 274 L HN 0.647 nan 8.230 nan 0.000 0.440 275 S N 1.123 116.612 115.700 -0.351 0.000 2.547 275 S HA 0.454 4.926 4.470 0.003 0.000 0.281 275 S C -1.061 173.456 174.600 -0.137 0.000 1.118 275 S CA -0.650 57.403 58.200 -0.245 0.000 0.947 275 S CB 2.042 65.149 63.200 -0.155 0.000 1.053 275 S HN 0.650 nan 8.310 nan 0.000 0.482 276 C N 3.729 122.993 119.300 -0.060 0.000 2.522 276 C HA 0.544 5.006 4.460 0.003 0.000 0.344 276 C C 0.744 175.760 174.990 0.042 0.000 1.104 276 C CA -0.645 58.387 59.018 0.022 0.000 1.317 276 C CB 0.100 27.901 27.740 0.102 0.000 1.896 276 C HN 1.134 nan 8.230 nan 0.000 0.443 277 K N 3.468 123.886 120.400 0.031 0.000 2.358 277 K HA 0.379 4.701 4.320 0.003 0.000 0.200 277 K C -0.333 176.294 176.600 0.045 0.000 1.030 277 K CA 0.064 56.372 56.287 0.034 0.000 1.097 277 K CB 0.574 33.084 32.500 0.016 0.000 0.862 277 K HN 0.360 nan 8.250 nan 0.000 0.534 278 V N 2.886 122.834 119.914 0.056 0.000 2.577 278 V HA 0.372 4.494 4.120 0.003 0.000 0.294 278 V C -1.081 175.065 176.094 0.087 0.000 1.052 278 V CA -0.688 61.649 62.300 0.063 0.000 0.891 278 V CB 1.663 33.518 31.823 0.054 0.000 1.017 278 V HN 0.175 nan 8.190 nan 0.000 0.436 279 I N 4.268 124.891 120.570 0.089 0.000 2.389 279 I HA 0.723 4.895 4.170 0.003 0.000 0.288 279 I C 1.120 177.297 176.117 0.101 0.000 0.999 279 I CA 0.091 61.458 61.300 0.112 0.000 1.129 279 I CB 1.471 39.534 38.000 0.105 0.000 1.288 279 I HN 0.828 nan 8.210 nan 0.000 0.444 280 G N 6.015 114.887 108.800 0.120 0.000 2.561 280 G HA2 -0.320 3.642 3.960 0.003 0.000 0.289 280 G HA3 -0.320 3.642 3.960 0.003 0.000 0.289 280 G C 0.287 175.237 174.900 0.082 0.000 1.169 280 G CA 0.582 45.746 45.100 0.105 0.000 0.980 280 G HN 0.868 nan 8.290 nan 0.000 0.550 281 D N 0.609 121.050 120.400 0.067 0.000 2.463 281 D HA 0.243 4.885 4.640 0.003 0.000 0.224 281 D C 0.482 176.810 176.300 0.046 0.000 1.174 281 D CA 0.159 54.191 54.000 0.054 0.000 0.829 281 D CB 0.294 41.123 40.800 0.048 0.000 0.993 281 D HN 0.449 nan 8.370 nan 0.000 0.497 282 K N 0.853 121.283 120.400 0.050 0.000 2.274 282 K HA 0.338 4.660 4.320 0.003 0.000 0.262 282 K C -1.130 175.497 176.600 0.045 0.000 0.961 282 K CA -0.774 55.539 56.287 0.043 0.000 0.833 282 K CB 2.436 34.961 32.500 0.042 0.000 1.102 282 K HN -0.144 nan 8.250 nan 0.000 0.436 283 V N 6.943 126.879 119.914 0.037 0.000 2.322 283 V HA 0.142 4.264 4.120 0.003 0.000 0.258 283 V C 0.436 176.552 176.094 0.036 0.000 1.074 283 V CA -0.602 61.720 62.300 0.036 0.000 0.909 283 V CB 0.174 32.013 31.823 0.028 0.000 1.090 283 V HN 0.675 nan 8.190 nan 0.000 0.486 284 L N 4.112 125.361 121.223 0.043 0.000 2.628 284 L HA -0.012 4.330 4.340 0.003 0.000 0.292 284 L C 1.877 178.770 176.870 0.039 0.000 1.250 284 L CA 0.760 55.627 54.840 0.044 0.000 0.892 284 L CB -0.211 41.881 42.059 0.055 0.000 1.138 284 L HN 0.661 nan 8.230 nan 0.000 0.502 285 G N 2.785 111.608 108.800 0.038 0.000 2.418 285 G HA2 -0.097 3.866 3.960 0.003 0.000 0.217 285 G HA3 -0.097 3.866 3.960 0.003 0.000 0.217 285 G C 0.578 175.502 174.900 0.039 0.000 1.158 285 G CA 0.372 45.492 45.100 0.034 0.000 0.771 285 G HN 0.659 nan 8.290 nan 0.000 0.545 286 E N 0.217 120.447 120.200 0.050 0.000 2.248 286 E HA 0.230 4.582 4.350 0.003 0.000 0.267 286 E C -0.962 175.676 176.600 0.064 0.000 0.877 286 E CA -0.526 55.909 56.400 0.059 0.000 0.759 286 E CB 1.996 31.741 29.700 0.075 0.000 1.182 286 E HN 0.214 nan 8.360 nan 0.000 0.418 287 E N 2.213 122.444 120.200 0.051 0.000 2.351 287 E HA 0.111 4.463 4.350 0.003 0.000 0.266 287 E C -0.512 176.125 176.600 0.061 0.000 1.031 287 E CA -0.124 56.301 56.400 0.042 0.000 0.911 287 E CB 0.785 30.494 29.700 0.015 0.000 0.986 287 E HN 0.143 nan 8.360 nan 0.000 0.446 288 V N 3.796 123.762 119.914 0.087 0.000 2.607 288 V HA 0.271 4.393 4.120 0.003 0.000 0.289 288 V C 0.289 176.433 176.094 0.082 0.000 1.053 288 V CA -0.277 62.113 62.300 0.149 0.000 0.996 288 V CB 1.328 33.280 31.823 0.215 0.000 0.995 288 V HN 0.769 nan 8.190 nan 0.000 0.476 289 S N 3.084 118.852 115.700 0.114 0.000 2.638 289 S HA 0.986 5.458 4.470 0.003 0.000 0.274 289 S C -0.987 173.672 174.600 0.100 0.000 1.157 289 S CA -0.862 57.262 58.200 -0.126 0.000 0.826 289 S CB 2.360 65.479 63.200 -0.136 0.000 1.139 289 S HN 1.108 nan 8.310 nan 0.000 0.474 290 F N -3.224 116.742 119.950 0.027 0.000 2.767 290 F HA 0.599 5.128 4.527 0.003 0.000 0.317 290 F C -3.302 172.515 175.800 0.029 0.000 1.119 290 F CA -1.608 56.418 58.000 0.043 0.000 0.971 290 F CB 0.026 39.067 39.000 0.067 0.000 1.251 290 F HN 0.494 nan 8.300 nan 0.000 0.450 291 P HA -0.101 nan 4.420 nan 0.000 0.264 291 P C -0.267 177.119 177.300 0.144 0.000 1.173 291 P CA 0.036 63.212 63.100 0.128 0.000 0.761 291 P CB 1.144 32.925 31.700 0.135 0.000 0.794 292 L N 3.599 124.860 121.223 0.064 0.000 2.448 292 L HA 0.026 4.368 4.340 0.003 0.000 0.278 292 L C 1.786 178.705 176.870 0.081 0.000 1.201 292 L CA -0.035 54.842 54.840 0.062 0.000 1.036 292 L CB -0.374 41.693 42.059 0.013 0.000 1.325 292 L HN 0.633 nan 8.230 nan 0.000 0.441 293 T N 0.815 115.441 114.554 0.121 0.000 5.400 293 T HA -0.046 4.306 4.350 0.003 0.000 0.466 293 T C 1.210 175.949 174.700 0.065 0.000 0.927 293 T CA 0.678 62.834 62.100 0.095 0.000 0.967 293 T CB 0.072 69.001 68.868 0.102 0.000 1.166 293 T HN 0.557 nan 8.240 nan 0.000 0.393 294 G N -1.736 107.099 108.800 0.058 0.000 2.865 294 G HA2 0.049 4.011 3.960 0.003 0.000 0.204 294 G HA3 0.049 4.011 3.960 0.003 0.000 0.204 294 G C 1.926 176.852 174.900 0.043 0.000 1.140 294 G CA 0.592 45.718 45.100 0.044 0.000 0.842 294 G HN 0.800 nan 8.290 nan 0.000 0.631 295 C N 0.394 119.722 119.300 0.046 0.000 2.446 295 C HA 0.362 4.824 4.460 0.003 0.000 0.279 295 C C 2.481 177.504 174.990 0.054 0.000 1.366 295 C CA 0.390 59.435 59.018 0.045 0.000 1.763 295 C CB -0.791 26.974 27.740 0.043 0.000 1.929 295 C HN 0.338 nan 8.230 nan 0.000 0.509 296 L N -0.392 120.873 121.223 0.069 0.000 2.554 296 L HA 0.201 4.543 4.340 0.003 0.000 0.225 296 L C 2.282 179.194 176.870 0.069 0.000 1.104 296 L CA 1.132 56.023 54.840 0.085 0.000 0.866 296 L CB -0.383 41.756 42.059 0.134 0.000 1.047 296 L HN 0.486 nan 8.230 nan 0.000 0.468 297 G N -1.625 107.211 108.800 0.059 0.000 3.088 297 G HA2 -0.071 3.891 3.960 0.003 0.000 0.217 297 G HA3 -0.071 3.891 3.960 0.003 0.000 0.217 297 G C 1.251 176.169 174.900 0.030 0.000 1.159 297 G CA -0.158 44.968 45.100 0.043 0.000 0.760 297 G HN 0.184 nan 8.290 nan 0.000 0.550 298 Q N -0.020 119.799 119.800 0.030 0.000 2.376 298 Q HA 0.073 4.415 4.340 0.003 0.000 0.206 298 Q C 2.627 178.639 176.000 0.019 0.000 0.921 298 Q CA 0.260 56.076 55.803 0.023 0.000 0.911 298 Q CB 0.448 29.200 28.738 0.024 0.000 1.032 298 Q HN 0.397 nan 8.270 nan 0.000 0.510 299 V N 0.467 120.394 119.914 0.021 0.000 2.261 299 V HA -0.252 3.870 4.120 0.003 0.000 0.246 299 V C 2.450 178.547 176.094 0.005 0.000 1.047 299 V CA 1.789 64.097 62.300 0.014 0.000 1.015 299 V CB -1.050 30.783 31.823 0.016 0.000 0.642 299 V HN 0.112 nan 8.190 nan 0.000 0.446 300 V N -0.235 119.682 119.914 0.003 0.000 2.317 300 V HA -0.268 3.854 4.120 0.003 0.000 0.251 300 V C 2.542 178.633 176.094 -0.004 0.000 1.065 300 V CA 2.102 64.398 62.300 -0.006 0.000 1.049 300 V CB -0.850 30.969 31.823 -0.006 0.000 0.651 300 V HN 0.524 nan 8.190 nan 0.000 0.450 301 E N 1.443 121.645 120.200 0.002 0.000 2.005 301 E HA -0.152 4.200 4.350 0.003 0.000 0.191 301 E C 1.809 178.411 176.600 0.003 0.000 0.987 301 E CA 1.635 58.037 56.400 0.003 0.000 0.814 301 E CB -0.605 29.099 29.700 0.007 0.000 0.772 301 E HN 0.898 nan 8.360 nan 0.000 0.453 302 D N 0.426 120.830 120.400 0.006 0.000 2.328 302 D HA -0.014 4.628 4.640 0.003 0.000 0.226 302 D C -0.191 176.113 176.300 0.006 0.000 1.066 302 D CA 0.003 54.007 54.000 0.007 0.000 0.861 302 D CB -0.375 40.430 40.800 0.009 0.000 0.912 302 D HN 0.067 nan 8.370 nan 0.000 0.521 303 K N -0.862 119.540 120.400 0.003 0.000 3.012 303 K HA -0.301 4.021 4.320 0.003 0.000 0.259 303 K C -0.114 176.490 176.600 0.007 0.000 0.989 303 K CA 0.758 57.046 56.287 0.001 0.000 0.728 303 K CB -1.529 30.971 32.500 -0.000 0.000 1.260 303 K HN 0.289 nan 8.250 nan 0.000 0.480 304 K N 1.290 121.695 120.400 0.009 0.000 2.182 304 K HA 0.261 4.583 4.320 0.003 0.000 0.262 304 K C -0.478 176.129 176.600 0.012 0.000 0.957 304 K CA -0.545 55.750 56.287 0.013 0.000 0.842 304 K CB 1.284 33.793 32.500 0.015 0.000 1.099 304 K HN 0.105 nan 8.250 nan 0.000 0.438 305 S N 4.261 119.969 115.700 0.013 0.000 2.548 305 S HA 0.444 4.917 4.470 0.003 0.000 0.277 305 S C 0.357 174.964 174.600 0.011 0.000 1.315 305 S CA -0.776 57.428 58.200 0.007 0.000 1.050 305 S CB -0.205 62.998 63.200 0.005 0.000 0.918 305 S HN 0.610 nan 8.310 nan 0.000 0.497 306 I N -0.487 120.088 120.570 0.009 0.000 3.237 306 I HA 0.695 4.868 4.170 0.003 0.000 0.308 306 I C -0.435 175.696 176.117 0.024 0.000 1.093 306 I CA -0.987 60.326 61.300 0.022 0.000 1.001 306 I CB 1.291 39.309 38.000 0.030 0.000 1.245 306 I HN 0.523 nan 8.210 nan 0.000 0.485 307 Q N 0.417 120.244 119.800 0.045 0.000 2.495 307 Q HA 0.384 4.726 4.340 0.003 0.000 0.287 307 Q C 0.275 176.324 176.000 0.082 0.000 1.078 307 Q CA -0.915 54.929 55.803 0.068 0.000 0.793 307 Q CB 2.836 31.625 28.738 0.085 0.000 1.459 307 Q HN 0.820 nan 8.270 nan 0.000 0.422 308 L N 2.317 123.607 121.223 0.111 0.000 2.054 308 L HA -0.324 4.018 4.340 0.003 0.000 0.220 308 L C 2.228 179.144 176.870 0.077 0.000 1.081 308 L CA 2.179 57.084 54.840 0.108 0.000 0.780 308 L CB -0.233 41.903 42.059 0.128 0.000 0.893 308 L HN 0.641 nan 8.230 nan 0.000 0.438 309 K N -0.683 119.758 120.400 0.069 0.000 2.442 309 K HA -0.154 4.168 4.320 0.003 0.000 0.199 309 K C -0.066 176.561 176.600 0.045 0.000 1.044 309 K CA 1.369 57.687 56.287 0.051 0.000 0.941 309 K CB -1.177 31.352 32.500 0.047 0.000 0.759 309 K HN 0.425 nan 8.250 nan 0.000 0.472 310 D N 1.525 121.955 120.400 0.050 0.000 2.557 310 D HA 0.286 4.928 4.640 0.003 0.000 0.236 310 D C -0.646 175.682 176.300 0.047 0.000 1.154 310 D CA -0.279 53.747 54.000 0.044 0.000 0.985 310 D CB 0.202 41.028 40.800 0.043 0.000 1.010 310 D HN 0.311 nan 8.370 nan 0.000 0.516 311 L N -1.450 119.798 121.223 0.042 0.000 2.388 311 L HA 0.764 5.106 4.340 0.003 0.000 0.264 311 L C -0.310 176.579 176.870 0.030 0.000 0.998 311 L CA -0.654 54.210 54.840 0.040 0.000 0.817 311 L CB 2.165 44.249 42.059 0.041 0.000 1.338 311 L HN -0.163 nan 8.230 nan 0.000 0.414 312 T N 0.162 114.733 114.554 0.028 0.000 2.936 312 T HA 0.224 4.576 4.350 0.003 0.000 0.282 312 T C 0.777 175.485 174.700 0.013 0.000 1.003 312 T CA 0.005 62.117 62.100 0.020 0.000 1.005 312 T CB 1.757 70.638 68.868 0.021 0.000 1.097 312 T HN 0.794 nan 8.240 nan 0.000 0.532 313 S N -0.351 115.353 115.700 0.006 0.000 2.528 313 S HA -0.013 4.459 4.470 0.003 0.000 0.219 313 S C 1.712 176.304 174.600 -0.014 0.000 0.985 313 S CA 0.778 58.977 58.200 -0.002 0.000 0.914 313 S CB -0.153 63.046 63.200 -0.002 0.000 0.776 313 S HN 0.707 nan 8.310 nan 0.000 0.526 314 E N 2.229 122.422 120.200 -0.012 0.000 2.008 314 E HA -0.131 4.221 4.350 0.003 0.000 0.191 314 E C 1.331 177.897 176.600 -0.056 0.000 0.986 314 E CA 2.002 58.385 56.400 -0.027 0.000 0.807 314 E CB -0.646 29.048 29.700 -0.009 0.000 0.766 314 E HN 0.397 nan 8.360 nan 0.000 0.450 315 D N 0.518 120.897 120.400 -0.034 0.000 2.271 315 D HA -0.156 4.487 4.640 0.003 0.000 0.207 315 D C 1.994 178.262 176.300 -0.053 0.000 0.983 315 D CA 1.106 55.080 54.000 -0.044 0.000 0.878 315 D CB -0.223 40.590 40.800 0.021 0.000 0.920 315 D HN 0.196 nan 8.370 nan 0.000 0.479 316 V N -0.098 119.796 119.914 -0.034 0.000 2.788 316 V HA -0.145 3.977 4.120 0.003 0.000 0.251 316 V C 2.238 178.294 176.094 -0.062 0.000 1.068 316 V CA 1.353 63.635 62.300 -0.030 0.000 1.090 316 V CB 0.225 32.045 31.823 -0.004 0.000 0.710 316 V HN -0.017 nan 8.190 nan 0.000 0.467 317 Q N -0.534 119.222 119.800 -0.073 0.000 2.036 317 Q HA -0.151 4.191 4.340 0.003 0.000 0.195 317 Q C 2.189 178.112 176.000 -0.128 0.000 0.971 317 Q CA 1.643 57.397 55.803 -0.082 0.000 0.826 317 Q CB -0.230 28.470 28.738 -0.063 0.000 0.896 317 Q HN 0.578 nan 8.270 nan 0.000 0.449 318 Q N -0.099 119.593 119.800 -0.180 0.000 2.439 318 Q HA -0.083 4.259 4.340 0.003 0.000 0.211 318 Q C 1.304 177.071 176.000 -0.387 0.000 0.978 318 Q CA 1.128 56.742 55.803 -0.314 0.000 0.897 318 Q CB -0.033 28.427 28.738 -0.463 0.000 0.956 318 Q HN 0.401 nan 8.270 nan 0.000 0.483 319 L N -0.862 120.205 121.223 -0.259 0.000 2.116 319 L HA -0.026 4.316 4.340 0.003 0.000 0.200 319 L C 2.044 178.794 176.870 -0.201 0.000 1.084 319 L CA 0.956 55.671 54.840 -0.209 0.000 0.766 319 L CB -0.297 41.692 42.059 -0.117 0.000 0.930 319 L HN 0.250 nan 8.230 nan 0.000 0.453 320 Q N -0.309 119.387 119.800 -0.173 0.000 2.508 320 Q HA -0.138 4.204 4.340 0.003 0.000 0.214 320 Q C 2.008 177.936 176.000 -0.120 0.000 0.979 320 Q CA 1.388 57.097 55.803 -0.156 0.000 0.911 320 Q CB 0.053 28.726 28.738 -0.108 0.000 0.969 320 Q HN 0.577 nan 8.270 nan 0.000 0.504 321 S N 0.195 115.825 115.700 -0.117 0.000 2.370 321 S HA -0.052 4.420 4.470 0.003 0.000 0.214 321 S C 1.853 176.411 174.600 -0.069 0.000 1.033 321 S CA 0.191 58.339 58.200 -0.087 0.000 0.941 321 S CB -0.382 62.764 63.200 -0.090 0.000 0.886 321 S HN 0.248 nan 8.310 nan 0.000 0.521 322 M N 1.806 121.359 119.600 -0.078 0.000 2.108 322 M HA -0.042 4.440 4.480 0.003 0.000 0.261 322 M C 1.923 178.205 176.300 -0.029 0.000 1.066 322 M CA 1.384 56.676 55.300 -0.013 0.000 1.107 322 M CB -1.031 31.584 32.600 0.024 0.000 1.356 322 M HN 0.400 nan 8.290 nan 0.000 0.406 323 L N -0.397 120.764 121.223 -0.102 0.000 1.910 323 L HA -0.113 4.229 4.340 0.003 0.000 0.221 323 L C 1.676 178.491 176.870 -0.093 0.000 1.084 323 L CA 1.822 56.571 54.840 -0.152 0.000 0.779 323 L CB -0.743 41.142 42.059 -0.291 0.000 0.888 323 L HN 0.631 nan 8.230 nan 0.000 0.432 324 G N -2.344 106.398 108.800 -0.096 0.000 2.240 324 G HA2 -0.114 3.848 3.960 0.003 0.000 0.181 324 G HA3 -0.114 3.848 3.960 0.003 0.000 0.181 324 G C -0.320 174.546 174.900 -0.057 0.000 1.028 324 G CA -0.229 44.835 45.100 -0.061 0.000 0.760 324 G HN 0.685 nan 8.290 nan 0.000 0.508 325 C N -1.707 117.547 119.300 -0.077 0.000 3.263 325 C HA 0.764 5.226 4.460 0.003 0.000 0.369 325 C C -0.440 174.519 174.990 -0.052 0.000 1.634 325 C CA -0.614 58.372 59.018 -0.054 0.000 1.143 325 C CB 1.032 28.751 27.740 -0.036 0.000 1.910 325 C HN 0.282 nan 8.230 nan 0.000 0.425 326 E N 0.846 121.029 120.200 -0.028 0.000 2.417 326 E HA 0.385 4.737 4.350 0.003 0.000 0.261 326 E C -1.156 175.442 176.600 -0.003 0.000 1.000 326 E CA 0.248 56.641 56.400 -0.013 0.000 0.919 326 E CB 0.505 30.204 29.700 -0.001 0.000 0.955 326 E HN 0.523 nan 8.360 nan 0.000 0.455 327 L N 5.538 126.764 121.223 0.005 0.000 2.277 327 L HA 0.126 4.468 4.340 0.003 0.000 0.284 327 L C 1.264 178.172 176.870 0.063 0.000 1.028 327 L CA 0.025 54.891 54.840 0.044 0.000 0.835 327 L CB 1.217 43.296 42.059 0.033 0.000 1.215 327 L HN 0.410 nan 8.230 nan 0.000 0.425 328 Q N 2.492 122.339 119.800 0.078 0.000 2.390 328 Q HA 0.447 4.789 4.340 0.003 0.000 0.216 328 Q C 0.419 176.471 176.000 0.086 0.000 0.916 328 Q CA 0.395 56.233 55.803 0.059 0.000 0.911 328 Q CB 0.676 29.430 28.738 0.027 0.000 1.035 328 Q HN 0.508 nan 8.270 nan 0.000 0.541 329 A N 0.701 123.607 122.820 0.142 0.000 2.387 329 A HA 0.852 5.174 4.320 0.003 0.000 0.298 329 A C -0.811 177.005 177.584 0.387 0.000 1.165 329 A CA -0.616 51.556 52.037 0.224 0.000 0.814 329 A CB 2.234 21.291 19.000 0.095 0.000 1.357 329 A HN 0.205 nan 8.150 nan 0.000 0.443 330 M N 1.284 121.148 119.600 0.441 0.000 2.361 330 M HA 0.254 4.736 4.480 0.003 0.000 0.274 330 M C -2.619 173.694 176.300 0.021 0.000 1.035 330 M CA -0.190 55.261 55.300 0.251 0.000 0.907 330 M CB 1.196 33.975 32.600 0.299 0.000 1.971 330 M HN 0.713 nan 8.290 nan 0.000 0.494 331 L N 4.741 125.751 121.223 -0.355 0.000 2.345 331 L HA 0.489 4.831 4.340 0.003 0.000 0.274 331 L C -1.184 175.503 176.870 -0.305 0.000 0.999 331 L CA -0.334 54.274 54.840 -0.388 0.000 0.849 331 L CB 1.357 42.953 42.059 -0.771 0.000 1.220 331 L HN 0.861 nan 8.230 nan 0.000 0.422 332 C N 5.421 124.632 119.300 -0.150 0.000 2.246 332 C HA 0.556 5.019 4.460 0.003 0.000 0.329 332 C C 0.109 175.059 174.990 -0.066 0.000 1.221 332 C CA -0.352 58.605 59.018 -0.102 0.000 1.697 332 C CB 0.394 28.115 27.740 -0.031 0.000 2.312 332 C HN 0.521 nan 8.230 nan 0.000 0.509 333 V N 9.299 129.176 119.914 -0.061 0.000 2.378 333 V HA 0.357 4.479 4.120 0.003 0.000 0.288 333 V C -2.164 173.921 176.094 -0.014 0.000 1.016 333 V CA -1.487 60.803 62.300 -0.017 0.000 0.840 333 V CB 1.658 33.486 31.823 0.008 0.000 0.994 333 V HN 0.708 nan 8.190 nan 0.000 0.431 334 P HA 0.130 nan 4.420 nan 0.000 0.271 334 P C -0.474 176.790 177.300 -0.060 0.000 1.216 334 P CA -0.007 63.069 63.100 -0.040 0.000 0.771 334 P CB 0.689 32.376 31.700 -0.022 0.000 0.864 335 V N 5.902 125.736 119.914 -0.134 0.000 2.320 335 V HA 0.220 4.342 4.120 0.003 0.000 0.265 335 V C 0.442 176.464 176.094 -0.119 0.000 1.048 335 V CA -0.144 62.043 62.300 -0.188 0.000 0.865 335 V CB -0.200 31.357 31.823 -0.443 0.000 1.043 335 V HN 0.389 nan 8.190 nan 0.000 0.474 336 I N 4.478 125.012 120.570 -0.060 0.000 2.331 336 I HA 0.337 4.510 4.170 0.003 0.000 0.292 336 I C 0.780 176.871 176.117 -0.044 0.000 0.998 336 I CA -0.111 61.163 61.300 -0.044 0.000 1.267 336 I CB 1.697 39.686 38.000 -0.018 0.000 1.386 336 I HN 0.627 nan 8.210 nan 0.000 0.476 337 S N 6.465 122.134 115.700 -0.053 0.000 2.565 337 S HA 0.264 4.736 4.470 0.003 0.000 0.276 337 S C 0.982 175.556 174.600 -0.043 0.000 1.326 337 S CA -0.560 57.607 58.200 -0.055 0.000 1.045 337 S CB 1.221 64.388 63.200 -0.056 0.000 0.918 337 S HN 0.538 nan 8.310 nan 0.000 0.505 338 R N 2.127 122.595 120.500 -0.053 0.000 2.276 338 R HA 0.252 4.594 4.340 0.003 0.000 0.196 338 R C 1.678 177.956 176.300 -0.037 0.000 0.961 338 R CA 0.938 57.012 56.100 -0.044 0.000 1.024 338 R CB -1.421 28.837 30.300 -0.071 0.000 0.940 338 R HN 0.782 nan 8.270 nan 0.000 0.480 339 A N 0.177 122.972 122.820 -0.041 0.000 2.250 339 A HA -0.059 4.263 4.320 0.003 0.000 0.222 339 A C 2.117 179.685 177.584 -0.027 0.000 1.768 339 A CA 1.256 53.274 52.037 -0.033 0.000 0.660 339 A CB -1.317 17.662 19.000 -0.035 0.000 1.318 339 A HN 0.283 nan 8.150 nan 0.000 0.527 340 T N -1.612 112.925 114.554 -0.030 0.000 2.699 340 T HA -0.188 4.164 4.350 0.003 0.000 0.268 340 T C 0.591 175.276 174.700 -0.024 0.000 1.036 340 T CA 2.238 64.322 62.100 -0.027 0.000 1.147 340 T CB -0.590 68.259 68.868 -0.031 0.000 0.862 340 T HN 0.759 nan 8.240 nan 0.000 0.446 341 D N 1.035 121.418 120.400 -0.028 0.000 2.897 341 D HA -0.110 4.532 4.640 0.003 0.000 0.250 341 D C -0.796 175.490 176.300 -0.023 0.000 1.086 341 D CA 0.661 54.648 54.000 -0.023 0.000 0.799 341 D CB -1.361 39.429 40.800 -0.015 0.000 1.043 341 D HN 0.887 nan 8.370 nan 0.000 0.427 342 Q N -0.987 118.795 119.800 -0.031 0.000 2.479 342 Q HA 0.428 4.770 4.340 0.003 0.000 0.276 342 Q C -0.554 175.420 176.000 -0.044 0.000 0.989 342 Q CA -1.163 54.621 55.803 -0.031 0.000 0.864 342 Q CB 1.440 30.160 28.738 -0.031 0.000 1.444 342 Q HN 0.008 nan 8.270 nan 0.000 0.388 343 V N 1.978 121.866 119.914 -0.043 0.000 2.509 343 V HA -0.058 4.064 4.120 0.003 0.000 0.297 343 V C 0.677 176.728 176.094 -0.071 0.000 1.014 343 V CA 0.652 62.917 62.300 -0.058 0.000 1.127 343 V CB 0.495 32.291 31.823 -0.046 0.000 0.925 343 V HN 0.755 nan 8.190 nan 0.000 0.480 344 V N 3.748 123.603 119.914 -0.098 0.000 3.455 344 V HA 0.482 4.604 4.120 0.003 0.000 0.250 344 V C 0.733 176.749 176.094 -0.129 0.000 1.230 344 V CA 1.077 63.314 62.300 -0.105 0.000 1.105 344 V CB 0.666 32.422 31.823 -0.111 0.000 0.850 344 V HN 0.942 nan 8.190 nan 0.000 0.461 345 A N -0.230 122.492 122.820 -0.164 0.000 2.572 345 A HA 0.762 5.084 4.320 0.003 0.000 0.295 345 A C -1.447 176.037 177.584 -0.166 0.000 1.072 345 A CA -0.359 51.566 52.037 -0.186 0.000 0.691 345 A CB 1.593 20.419 19.000 -0.290 0.000 1.291 345 A HN 0.094 nan 8.150 nan 0.000 0.404 346 L N 2.150 123.301 121.223 -0.119 0.000 2.313 346 L HA 0.511 4.853 4.340 0.003 0.000 0.273 346 L C 0.482 177.309 176.870 -0.071 0.000 1.028 346 L CA -0.451 54.345 54.840 -0.075 0.000 0.871 346 L CB 1.109 43.158 42.059 -0.018 0.000 1.242 346 L HN 0.915 nan 8.230 nan 0.000 0.434 347 A N 3.348 126.115 122.820 -0.089 0.000 2.404 347 A HA 0.433 4.755 4.320 0.003 0.000 0.273 347 A C -0.157 177.382 177.584 -0.076 0.000 1.144 347 A CA -0.193 51.827 52.037 -0.028 0.000 0.806 347 A CB 0.022 19.094 19.000 0.119 0.000 1.080 347 A HN 0.743 nan 8.150 nan 0.000 0.509 348 C N 2.378 121.599 119.300 -0.132 0.000 2.417 348 C HA 0.830 5.292 4.460 0.003 0.000 0.324 348 C C 0.687 175.316 174.990 -0.602 0.000 1.240 348 C CA -0.423 58.352 59.018 -0.406 0.000 1.632 348 C CB 0.724 28.217 27.740 -0.413 0.000 2.241 348 C HN 1.019 nan 8.230 nan 0.000 0.499 349 A N 2.611 124.946 122.820 -0.807 0.000 2.343 349 A HA 0.949 5.272 4.320 0.003 0.000 0.316 349 A C -1.087 176.069 177.584 -0.714 0.000 1.104 349 A CA -0.232 51.399 52.037 -0.677 0.000 0.768 349 A CB 0.504 19.060 19.000 -0.740 0.000 1.213 349 A HN 0.677 nan 8.150 nan 0.000 0.456 350 F N 0.343 120.397 119.950 0.174 0.000 2.598 350 F HA 0.468 4.998 4.527 0.004 0.000 0.327 350 F C 0.557 176.559 175.800 0.337 0.000 1.057 350 F CA -1.145 57.014 58.000 0.264 0.000 0.957 350 F CB 0.863 39.948 39.000 0.143 0.000 1.278 350 F HN 0.552 nan 8.300 nan 0.000 0.484 351 N N 1.391 120.352 118.700 0.435 0.000 2.676 351 N HA -0.256 4.486 4.740 0.003 0.000 0.290 351 N C -0.374 175.166 175.510 0.051 0.000 1.109 351 N CA 0.364 53.527 53.050 0.188 0.000 0.779 351 N CB -0.576 38.000 38.487 0.147 0.000 0.947 351 N HN 0.615 nan 8.380 nan 0.000 0.566 352 K N 1.745 121.986 120.400 -0.265 0.000 2.473 352 K HA -0.024 4.298 4.320 0.003 0.000 0.277 352 K C 0.467 176.949 176.600 -0.197 0.000 1.052 352 K CA -0.120 55.862 56.287 -0.508 0.000 1.114 352 K CB 0.302 32.169 32.500 -1.055 0.000 0.869 352 K HN 0.381 nan 8.250 nan 0.000 0.481 353 L N 5.360 126.529 121.223 -0.090 0.000 2.698 353 L HA -0.093 4.249 4.340 0.003 0.000 0.272 353 L C 0.250 177.079 176.870 -0.068 0.000 1.154 353 L CA 0.827 55.641 54.840 -0.043 0.000 0.964 353 L CB -0.480 41.575 42.059 -0.007 0.000 1.272 353 L HN 1.030 nan 8.230 nan 0.000 0.483 354 E N 2.266 122.430 120.200 -0.060 0.000 2.684 354 E HA -0.186 4.166 4.350 0.003 0.000 0.278 354 E C 0.650 177.203 176.600 -0.077 0.000 1.319 354 E CA 1.320 57.686 56.400 -0.056 0.000 1.404 354 E CB -1.132 28.541 29.700 -0.045 0.000 1.935 354 E HN 0.798 nan 8.360 nan 0.000 0.581 355 G N 2.977 111.734 108.800 -0.072 0.000 2.529 355 G HA2 -0.051 3.911 3.960 0.003 0.000 0.285 355 G HA3 -0.051 3.911 3.960 0.003 0.000 0.285 355 G C -0.029 174.798 174.900 -0.122 0.000 0.632 355 G CA 0.804 45.858 45.100 -0.076 0.000 2.116 355 G HN 0.306 nan 8.290 nan 0.000 0.538 356 D N 0.708 121.028 120.400 -0.133 0.000 3.011 356 D HA -0.068 4.574 4.640 0.003 0.000 0.268 356 D C 0.211 176.395 176.300 -0.193 0.000 1.410 356 D CA 0.878 54.761 54.000 -0.195 0.000 1.475 356 D CB -0.020 40.711 40.800 -0.115 0.000 1.180 356 D HN 0.248 nan 8.370 nan 0.000 0.569 357 L N 3.675 124.744 121.223 -0.258 0.000 2.514 357 L HA 0.258 4.601 4.340 0.003 0.000 0.257 357 L C -0.321 176.486 176.870 -0.106 0.000 1.101 357 L CA -0.583 54.173 54.840 -0.141 0.000 0.911 357 L CB 0.923 42.943 42.059 -0.066 0.000 1.162 357 L HN 0.059 nan 8.230 nan 0.000 0.477 358 F N 1.488 121.446 119.950 0.015 0.000 2.471 358 F HA 0.169 4.698 4.527 0.003 0.000 0.365 358 F C 1.452 177.261 175.800 0.015 0.000 1.095 358 F CA -0.208 57.799 58.000 0.013 0.000 1.174 358 F CB 1.304 40.310 39.000 0.010 0.000 1.105 358 F HN 0.352 nan 8.300 nan 0.000 0.535 359 T N -0.158 114.530 114.554 0.223 0.000 2.816 359 T HA 0.025 4.377 4.350 0.003 0.000 0.282 359 T C 0.935 175.698 174.700 0.105 0.000 0.993 359 T CA -0.820 61.356 62.100 0.126 0.000 0.994 359 T CB 1.250 70.174 68.868 0.094 0.000 1.025 359 T HN 0.610 nan 8.240 nan 0.000 0.529 360 D N -0.405 120.039 120.400 0.074 0.000 2.363 360 D HA -0.022 4.620 4.640 0.003 0.000 0.226 360 D C 1.417 177.762 176.300 0.074 0.000 1.020 360 D CA 0.635 54.671 54.000 0.061 0.000 0.892 360 D CB 0.280 41.103 40.800 0.038 0.000 0.900 360 D HN 0.858 nan 8.370 nan 0.000 0.531 361 E N -0.604 119.649 120.200 0.089 0.000 2.434 361 E HA -0.019 4.333 4.350 0.003 0.000 0.207 361 E C 1.288 177.972 176.600 0.140 0.000 0.929 361 E CA 0.077 56.552 56.400 0.126 0.000 1.001 361 E CB 0.158 29.911 29.700 0.089 0.000 1.016 361 E HN -0.186 nan 8.360 nan 0.000 0.502 362 D N 1.153 121.621 120.400 0.114 0.000 2.219 362 D HA -0.173 4.469 4.640 0.003 0.000 0.205 362 D C 1.676 178.007 176.300 0.051 0.000 0.970 362 D CA 1.331 55.391 54.000 0.101 0.000 0.851 362 D CB 0.083 40.992 40.800 0.180 0.000 0.943 362 D HN 0.590 nan 8.370 nan 0.000 0.488 363 E N -0.619 119.620 120.200 0.064 0.000 2.107 363 E HA -0.221 4.131 4.350 0.003 0.000 0.191 363 E C 1.998 178.659 176.600 0.103 0.000 0.982 363 E CA 0.887 57.317 56.400 0.050 0.000 0.809 363 E CB -0.199 29.534 29.700 0.053 0.000 0.756 363 E HN 0.269 nan 8.360 nan 0.000 0.459 364 H N 0.672 119.765 119.070 0.038 0.000 2.321 364 H HA -0.117 4.441 4.556 0.003 0.000 0.300 364 H C 2.127 177.508 175.328 0.087 0.000 1.087 364 H CA 2.086 58.164 56.048 0.050 0.000 1.319 364 H CB -0.510 29.268 29.762 0.027 0.000 1.379 364 H HN 0.156 nan 8.280 nan 0.000 0.501 365 V N 0.291 120.147 119.914 -0.098 0.000 2.332 365 V HA -0.207 3.915 4.120 0.003 0.000 0.248 365 V C 2.357 178.453 176.094 0.004 0.000 1.055 365 V CA 2.093 64.335 62.300 -0.096 0.000 1.038 365 V CB -0.676 31.145 31.823 -0.002 0.000 0.651 365 V HN 0.539 nan 8.190 nan 0.000 0.450 366 I N -0.315 120.261 120.570 0.010 0.000 2.076 366 I HA -0.338 3.834 4.170 0.003 0.000 0.237 366 I C 2.689 178.826 176.117 0.032 0.000 1.059 366 I CA 2.400 63.709 61.300 0.016 0.000 1.317 366 I CB -0.494 37.535 38.000 0.050 0.000 1.037 366 I HN 0.378 nan 8.210 nan 0.000 0.398 367 Q N 0.025 119.876 119.800 0.085 0.000 1.978 367 Q HA -0.354 3.988 4.340 0.003 0.000 0.211 367 Q C 2.256 178.293 176.000 0.062 0.000 1.013 367 Q CA 2.523 58.395 55.803 0.115 0.000 0.869 367 Q CB -0.514 28.289 28.738 0.108 0.000 0.953 367 Q HN 0.487 nan 8.270 nan 0.000 0.415 368 H N -0.433 118.563 119.070 -0.123 0.000 2.330 368 H HA -0.285 4.272 4.556 0.003 0.000 0.290 368 H C 2.281 177.581 175.328 -0.047 0.000 1.111 368 H CA 1.812 57.775 56.048 -0.141 0.000 1.226 368 H CB -0.516 29.066 29.762 -0.300 0.000 1.355 368 H HN 0.580 nan 8.280 nan 0.000 0.485 369 C N 0.503 119.668 119.300 -0.225 0.000 2.413 369 C HA -0.197 4.265 4.460 0.003 0.000 0.277 369 C C 2.789 177.529 174.990 -0.416 0.000 1.228 369 C CA 1.322 60.092 59.018 -0.414 0.000 1.731 369 C CB -1.843 25.570 27.740 -0.545 0.000 2.042 369 C HN 0.557 nan 8.230 nan 0.000 0.468 370 F N 0.393 120.292 119.950 -0.085 0.000 2.186 370 F HA 0.030 4.559 4.527 0.003 0.000 0.299 370 F C 2.275 178.001 175.800 -0.124 0.000 1.090 370 F CA 1.815 59.763 58.000 -0.087 0.000 1.307 370 F CB -1.503 37.459 39.000 -0.063 0.000 1.019 370 F HN 0.465 nan 8.300 nan 0.000 0.489 371 H N -1.503 117.495 119.070 -0.120 0.000 2.466 371 H HA -0.264 4.293 4.556 0.003 0.000 0.297 371 H C 1.473 176.532 175.328 -0.449 0.000 1.113 371 H CA 2.314 58.171 56.048 -0.318 0.000 1.273 371 H CB -0.153 29.308 29.762 -0.501 0.000 1.371 371 H HN 0.263 nan 8.280 nan 0.000 0.528 372 Y N -2.398 117.856 120.300 -0.078 0.000 2.539 372 Y HA 0.132 4.683 4.550 0.002 0.000 0.284 372 Y C 2.828 178.663 175.900 -0.108 0.000 1.134 372 Y CA 0.960 58.987 58.100 -0.120 0.000 1.251 372 Y CB -0.418 37.973 38.460 -0.116 0.000 1.260 372 Y HN 0.138 nan 8.280 nan 0.000 0.528 373 T N -1.064 113.516 114.554 0.044 0.000 2.985 373 T HA -0.123 4.229 4.350 0.003 0.000 0.266 373 T C 2.268 177.036 174.700 0.113 0.000 1.076 373 T CA 1.373 63.486 62.100 0.022 0.000 1.135 373 T CB -0.309 68.485 68.868 -0.123 0.000 0.890 373 T HN 0.306 nan 8.240 nan 0.000 0.480 374 S N 0.042 115.850 115.700 0.180 0.000 2.368 374 S HA -0.140 4.332 4.470 0.003 0.000 0.225 374 S C 2.159 176.769 174.600 0.016 0.000 1.030 374 S CA 2.226 60.501 58.200 0.125 0.000 0.999 374 S CB -0.809 62.432 63.200 0.068 0.000 0.844 374 S HN 0.546 nan 8.310 nan 0.000 0.459 375 T N 1.518 116.065 114.554 -0.011 0.000 2.570 375 T HA -0.147 4.205 4.350 0.003 0.000 0.266 375 T C 1.738 176.430 174.700 -0.013 0.000 1.071 375 T CA 1.811 63.895 62.100 -0.026 0.000 1.172 375 T CB -1.007 67.840 68.868 -0.036 0.000 0.864 375 T HN 0.308 nan 8.240 nan 0.000 0.421 376 V N 1.295 121.205 119.914 -0.005 0.000 2.287 376 V HA -0.141 3.981 4.120 0.003 0.000 0.248 376 V C 2.389 178.483 176.094 -0.000 0.000 1.053 376 V CA 1.654 63.950 62.300 -0.006 0.000 1.027 376 V CB -0.623 31.195 31.823 -0.007 0.000 0.646 376 V HN 0.477 nan 8.190 nan 0.000 0.447 377 L N -0.484 120.748 121.223 0.015 0.000 1.956 377 L HA -0.252 4.090 4.340 0.003 0.000 0.216 377 L C 2.642 179.512 176.870 -0.000 0.000 1.073 377 L CA 2.720 57.571 54.840 0.018 0.000 0.762 377 L CB -1.188 40.902 42.059 0.052 0.000 0.889 377 L HN 0.356 nan 8.230 nan 0.000 0.433 378 T N -0.598 113.947 114.554 -0.015 0.000 2.699 378 T HA -0.208 4.144 4.350 0.003 0.000 0.268 378 T C 2.013 176.709 174.700 -0.006 0.000 1.036 378 T CA 1.821 63.906 62.100 -0.026 0.000 1.147 378 T CB -0.242 68.600 68.868 -0.043 0.000 0.862 378 T HN 0.608 nan 8.240 nan 0.000 0.446 379 S N 1.129 116.831 115.700 0.002 0.000 2.387 379 S HA -0.116 4.357 4.470 0.003 0.000 0.226 379 S C 2.160 176.795 174.600 0.060 0.000 1.026 379 S CA 1.507 59.719 58.200 0.021 0.000 0.972 379 S CB -0.946 62.257 63.200 0.004 0.000 0.814 379 S HN 0.570 nan 8.310 nan 0.000 0.477 380 T N 2.483 117.062 114.554 0.042 0.000 2.867 380 T HA 0.086 4.438 4.350 0.003 0.000 0.268 380 T C 1.655 176.430 174.700 0.125 0.000 1.057 380 T CA 0.957 63.102 62.100 0.075 0.000 1.136 380 T CB -0.451 68.431 68.868 0.023 0.000 0.874 380 T HN 0.249 nan 8.240 nan 0.000 0.466 381 L N 1.893 123.152 121.223 0.060 0.000 2.044 381 L HA 0.321 4.663 4.340 0.003 0.000 0.205 381 L C 2.684 179.568 176.870 0.023 0.000 1.075 381 L CA 1.750 56.608 54.840 0.030 0.000 0.747 381 L CB -1.604 40.451 42.059 -0.006 0.000 0.903 381 L HN 0.246 nan 8.230 nan 0.000 0.435 382 A N -0.599 122.238 122.820 0.028 0.000 1.902 382 A HA -0.290 4.032 4.320 0.003 0.000 0.217 382 A C 2.298 179.894 177.584 0.019 0.000 1.181 382 A CA 1.848 53.889 52.037 0.007 0.000 0.623 382 A CB -1.278 17.729 19.000 0.011 0.000 0.818 382 A HN 0.590 nan 8.150 nan 0.000 0.443 383 F N 0.648 120.572 119.950 -0.043 0.000 2.269 383 F HA -0.179 4.350 4.527 0.003 0.000 0.301 383 F C 2.164 177.937 175.800 -0.044 0.000 1.082 383 F CA 2.025 60.002 58.000 -0.039 0.000 1.360 383 F CB -0.260 38.722 39.000 -0.030 0.000 1.041 383 F HN 0.301 nan 8.300 nan 0.000 0.512 384 Q N 0.295 119.962 119.800 -0.222 0.000 2.230 384 Q HA -0.139 4.203 4.340 0.003 0.000 0.202 384 Q C 2.094 177.914 176.000 -0.301 0.000 0.963 384 Q CA 1.128 56.736 55.803 -0.325 0.000 0.866 384 Q CB -0.063 28.640 28.738 -0.059 0.000 0.931 384 Q HN 0.499 nan 8.270 nan 0.000 0.452 385 K N 0.282 120.550 120.400 -0.221 0.000 2.103 385 K HA -0.091 4.231 4.320 0.003 0.000 0.204 385 K C 1.733 178.194 176.600 -0.233 0.000 1.052 385 K CA 0.785 56.947 56.287 -0.209 0.000 0.945 385 K CB 0.289 32.696 32.500 -0.154 0.000 0.722 385 K HN 0.113 nan 8.250 nan 0.000 0.443 386 E N 0.461 120.514 120.200 -0.245 0.000 2.285 386 E HA -0.180 4.172 4.350 0.003 0.000 0.194 386 E C 1.852 178.290 176.600 -0.271 0.000 0.997 386 E CA 0.711 56.983 56.400 -0.213 0.000 0.845 386 E CB 0.158 29.767 29.700 -0.151 0.000 0.782 386 E HN 0.378 nan 8.360 nan 0.000 0.491 387 Q N 1.184 120.726 119.800 -0.430 0.000 2.230 387 Q HA -0.099 4.243 4.340 0.003 0.000 0.202 387 Q C 2.129 177.978 176.000 -0.251 0.000 0.963 387 Q CA 1.142 56.702 55.803 -0.405 0.000 0.866 387 Q CB 0.224 28.590 28.738 -0.620 0.000 0.931 387 Q HN 0.006 nan 8.270 nan 0.000 0.452 388 K N 0.035 120.286 120.400 -0.249 0.000 2.044 388 K HA -0.024 4.298 4.320 0.003 0.000 0.204 388 K C 2.108 178.593 176.600 -0.191 0.000 1.045 388 K CA 0.651 56.811 56.287 -0.212 0.000 0.951 388 K CB -0.096 32.244 32.500 -0.266 0.000 0.738 388 K HN 0.265 nan 8.250 nan 0.000 0.443 389 L N 1.628 122.728 121.223 -0.205 0.000 2.021 389 L HA -0.271 4.071 4.340 0.003 0.000 0.215 389 L C 2.721 179.529 176.870 -0.103 0.000 1.074 389 L CA 1.848 56.594 54.840 -0.155 0.000 0.760 389 L CB -0.576 41.398 42.059 -0.142 0.000 0.889 389 L HN 0.324 nan 8.230 nan 0.000 0.433 390 K N -0.476 119.860 120.400 -0.106 0.000 2.209 390 K HA -0.191 4.131 4.320 0.003 0.000 0.204 390 K C 2.077 178.642 176.600 -0.060 0.000 1.048 390 K CA 1.698 57.941 56.287 -0.074 0.000 0.940 390 K CB -0.140 32.313 32.500 -0.079 0.000 0.729 390 K HN 0.346 nan 8.250 nan 0.000 0.451 391 C N 1.555 120.811 119.300 -0.072 0.000 2.467 391 C HA 0.070 4.532 4.460 0.003 0.000 0.279 391 C C 1.374 176.348 174.990 -0.028 0.000 1.347 391 C CA 0.363 59.351 59.018 -0.050 0.000 1.748 391 C CB -0.562 27.142 27.740 -0.058 0.000 1.977 391 C HN 0.519 nan 8.230 nan 0.000 0.501 392 E N -0.715 119.469 120.200 -0.025 0.000 2.416 392 E HA 0.001 4.353 4.350 0.003 0.000 0.189 392 E C 1.184 177.786 176.600 0.005 0.000 1.091 392 E CA -0.026 56.382 56.400 0.013 0.000 0.889 392 E CB -0.015 29.718 29.700 0.056 0.000 1.015 392 E HN 0.681 nan 8.360 nan 0.000 0.479 393 C N -0.183 119.109 119.300 -0.013 0.000 2.374 393 C HA 0.008 4.470 4.460 0.003 0.000 0.412 393 C C 2.307 177.282 174.990 -0.024 0.000 1.421 393 C CA -0.119 58.889 59.018 -0.016 0.000 2.484 393 C CB -0.254 27.478 27.740 -0.014 0.000 2.598 393 C HN 0.455 nan 8.230 nan 0.000 0.584 394 Q N 2.174 121.962 119.800 -0.021 0.000 2.197 394 Q HA -0.174 4.168 4.340 0.003 0.000 0.207 394 Q C 2.276 178.266 176.000 -0.017 0.000 0.984 394 Q CA 1.885 57.677 55.803 -0.018 0.000 0.869 394 Q CB -0.519 28.210 28.738 -0.014 0.000 0.906 394 Q HN 0.708 nan 8.270 nan 0.000 0.426 395 A N 1.993 124.805 122.820 -0.014 0.000 1.834 395 A HA -0.178 4.144 4.320 0.003 0.000 0.216 395 A C 2.178 179.752 177.584 -0.017 0.000 1.203 395 A CA 1.331 53.362 52.037 -0.010 0.000 0.621 395 A CB -0.983 18.014 19.000 -0.005 0.000 0.841 395 A HN 0.315 nan 8.150 nan 0.000 0.446 396 L N -1.010 120.194 121.223 -0.032 0.000 2.079 396 L HA -0.204 4.138 4.340 0.003 0.000 0.210 396 L C 2.509 179.293 176.870 -0.143 0.000 1.081 396 L CA 0.763 55.551 54.840 -0.087 0.000 0.752 396 L CB -0.360 41.625 42.059 -0.123 0.000 0.896 396 L HN 0.330 nan 8.230 nan 0.000 0.433 397 L N -0.752 120.416 121.223 -0.092 0.000 2.012 397 L HA -0.270 4.072 4.340 0.003 0.000 0.210 397 L C 2.562 179.406 176.870 -0.043 0.000 1.073 397 L CA 1.630 56.426 54.840 -0.075 0.000 0.748 397 L CB -1.109 40.928 42.059 -0.037 0.000 0.891 397 L HN 0.278 nan 8.230 nan 0.000 0.431 398 Q N -0.483 119.306 119.800 -0.017 0.000 1.985 398 Q HA -0.207 4.135 4.340 0.003 0.000 0.207 398 Q C 2.400 178.424 176.000 0.041 0.000 0.996 398 Q CA 2.567 58.378 55.803 0.014 0.000 0.851 398 Q CB -0.993 27.756 28.738 0.018 0.000 0.921 398 Q HN 0.368 nan 8.270 nan 0.000 0.418 399 V N 0.131 120.073 119.914 0.048 0.000 2.469 399 V HA -0.222 3.900 4.120 0.003 0.000 0.251 399 V C 1.929 178.098 176.094 0.124 0.000 1.064 399 V CA 2.389 64.760 62.300 0.118 0.000 1.066 399 V CB -0.996 30.951 31.823 0.206 0.000 0.667 399 V HN 0.443 nan 8.190 nan 0.000 0.461 400 A N 1.187 124.011 122.820 0.007 0.000 1.883 400 A HA -0.246 4.076 4.320 0.003 0.000 0.217 400 A C 2.318 180.055 177.584 0.255 0.000 1.186 400 A CA 2.178 54.260 52.037 0.074 0.000 0.624 400 A CB -0.771 18.133 19.000 -0.160 0.000 0.822 400 A HN 0.761 nan 8.150 nan 0.000 0.444 401 K N -1.001 119.474 120.400 0.126 0.000 2.574 401 K HA -0.077 4.246 4.320 0.003 0.000 0.193 401 K C 0.552 177.252 176.600 0.167 0.000 1.035 401 K CA 1.272 57.642 56.287 0.139 0.000 0.982 401 K CB -0.211 32.327 32.500 0.063 0.000 0.795 401 K HN 0.374 nan 8.250 nan 0.000 0.491 402 N N 0.498 119.313 118.700 0.191 0.000 2.463 402 N HA 0.091 4.833 4.740 0.003 0.000 0.183 402 N C 1.700 177.365 175.510 0.259 0.000 1.064 402 N CA 0.375 53.544 53.050 0.199 0.000 0.879 402 N CB 0.118 38.703 38.487 0.164 0.000 1.148 402 N HN 0.140 nan 8.380 nan 0.000 0.451 403 L N -0.532 120.815 121.223 0.206 0.000 2.156 403 L HA 0.071 4.413 4.340 0.003 0.000 0.208 403 L C 1.346 178.143 176.870 -0.121 0.000 1.095 403 L CA 0.849 55.721 54.840 0.052 0.000 0.770 403 L CB -0.394 41.644 42.059 -0.036 0.000 0.914 403 L HN -0.014 nan 8.230 nan 0.000 0.439 404 F N 0.103 120.110 119.950 0.095 0.000 2.661 404 F HA -0.085 4.444 4.527 0.004 0.000 0.298 404 F C 2.387 178.192 175.800 0.007 0.000 1.137 404 F CA 1.056 59.088 58.000 0.053 0.000 1.454 404 F CB -0.494 38.530 39.000 0.040 0.000 1.103 404 F HN 0.110 nan 8.300 nan 0.000 0.577 405 T N -4.024 110.567 114.554 0.062 0.000 3.188 405 T HA 0.038 4.390 4.350 0.003 0.000 0.250 405 T C 0.636 175.102 174.700 -0.389 0.000 1.077 405 T CA 0.452 62.474 62.100 -0.130 0.000 0.967 405 T CB -0.422 68.345 68.868 -0.168 0.000 1.006 405 T HN 0.347 nan 8.240 nan 0.000 0.552 406 H N 0.154 119.200 119.070 -0.040 0.000 2.750 406 H HA 0.303 4.861 4.556 0.003 0.000 0.239 406 H C 0.421 175.698 175.328 -0.086 0.000 1.210 406 H CA -0.546 55.470 56.048 -0.053 0.000 0.936 406 H CB 0.622 30.355 29.762 -0.048 0.000 2.074 406 H HN 0.150 nan 8.280 nan 0.000 0.622 407 L N 0.876 122.080 121.223 -0.032 0.000 2.362 407 L HA -0.079 4.263 4.340 0.003 0.000 0.219 407 L C 1.630 178.474 176.870 -0.043 0.000 1.134 407 L CA 1.103 55.904 54.840 -0.065 0.000 0.807 407 L CB -0.428 41.597 42.059 -0.056 0.000 0.927 407 L HN 0.194 nan 8.230 nan 0.000 0.447 408 D N -0.332 120.059 120.400 -0.015 0.000 2.133 408 D HA -0.147 4.495 4.640 0.003 0.000 0.195 408 D C 0.669 177.038 176.300 0.115 0.000 0.997 408 D CA 1.281 55.326 54.000 0.075 0.000 0.840 408 D CB 0.122 40.956 40.800 0.056 0.000 0.947 408 D HN 0.189 nan 8.370 nan 0.000 0.452 409 D N -0.451 119.998 120.400 0.083 0.000 2.389 409 D HA 0.052 4.694 4.640 0.003 0.000 0.256 409 D C 0.777 177.091 176.300 0.024 0.000 1.239 409 D CA -0.346 53.689 54.000 0.058 0.000 0.925 409 D CB 1.630 42.470 40.800 0.068 0.000 1.145 409 D HN -0.220 nan 8.370 nan 0.000 0.542 410 V N 3.128 123.046 119.914 0.008 0.000 2.828 410 V HA -0.180 3.942 4.120 0.003 0.000 0.260 410 V C 1.534 177.609 176.094 -0.032 0.000 1.101 410 V CA 2.117 64.406 62.300 -0.019 0.000 1.123 410 V CB 0.026 31.837 31.823 -0.020 0.000 0.704 410 V HN 0.413 nan 8.190 nan 0.000 0.493 411 S N -0.945 114.740 115.700 -0.026 0.000 2.421 411 S HA -0.021 4.451 4.470 0.003 0.000 0.224 411 S C 1.747 176.315 174.600 -0.053 0.000 1.035 411 S CA 1.260 59.438 58.200 -0.037 0.000 0.953 411 S CB 0.425 63.608 63.200 -0.029 0.000 0.810 411 S HN 0.494 nan 8.310 nan 0.000 0.497 412 V N 2.265 122.149 119.914 -0.051 0.000 2.407 412 V HA -0.056 4.066 4.120 0.003 0.000 0.245 412 V C 2.231 178.210 176.094 -0.192 0.000 1.041 412 V CA 1.326 63.561 62.300 -0.109 0.000 1.040 412 V CB -0.622 31.169 31.823 -0.054 0.000 0.671 412 V HN 0.416 nan 8.190 nan 0.000 0.455 413 L N -0.090 121.059 121.223 -0.123 0.000 1.994 413 L HA -0.156 4.186 4.340 0.003 0.000 0.208 413 L C 2.233 179.041 176.870 -0.104 0.000 1.071 413 L CA 1.964 56.731 54.840 -0.122 0.000 0.745 413 L CB -0.680 41.339 42.059 -0.066 0.000 0.892 413 L HN 0.186 nan 8.230 nan 0.000 0.431 414 L N -0.372 120.805 121.223 -0.078 0.000 2.129 414 L HA -0.267 4.075 4.340 0.003 0.000 0.212 414 L C 2.676 179.513 176.870 -0.055 0.000 1.087 414 L CA 1.938 56.740 54.840 -0.063 0.000 0.757 414 L CB -0.590 41.432 42.059 -0.062 0.000 0.896 414 L HN 0.518 nan 8.230 nan 0.000 0.434 415 Q N -1.358 118.397 119.800 -0.075 0.000 2.049 415 Q HA -0.178 4.164 4.340 0.003 0.000 0.198 415 Q C 2.153 178.123 176.000 -0.050 0.000 0.971 415 Q CA 1.147 56.911 55.803 -0.065 0.000 0.833 415 Q CB 0.055 28.741 28.738 -0.087 0.000 0.896 415 Q HN 0.320 nan 8.270 nan 0.000 0.434 416 E N 0.547 120.690 120.200 -0.095 0.000 2.049 416 E HA -0.211 4.142 4.350 0.003 0.000 0.198 416 E C 1.937 178.578 176.600 0.069 0.000 1.007 416 E CA 1.089 57.455 56.400 -0.058 0.000 0.809 416 E CB -0.327 29.294 29.700 -0.131 0.000 0.749 416 E HN 0.420 nan 8.360 nan 0.000 0.450 417 I N 0.577 121.195 120.570 0.080 0.000 2.194 417 I HA -0.319 3.854 4.170 0.003 0.000 0.246 417 I C 2.335 178.613 176.117 0.267 0.000 1.093 417 I CA 1.001 62.428 61.300 0.212 0.000 1.355 417 I CB -0.177 37.872 38.000 0.081 0.000 1.046 417 I HN 0.089 nan 8.210 nan 0.000 0.413 418 I N -0.471 120.172 120.570 0.121 0.000 2.133 418 I HA -0.272 3.900 4.170 0.003 0.000 0.238 418 I C 2.498 178.657 176.117 0.069 0.000 1.074 418 I CA 1.497 62.849 61.300 0.088 0.000 1.342 418 I CB -0.633 37.385 38.000 0.029 0.000 1.053 418 I HN 0.185 nan 8.210 nan 0.000 0.404 419 T N 0.482 115.063 114.554 0.045 0.000 2.529 419 T HA -0.220 4.132 4.350 0.003 0.000 0.261 419 T C 1.825 176.536 174.700 0.019 0.000 1.110 419 T CA 1.609 63.724 62.100 0.025 0.000 1.192 419 T CB -0.352 68.525 68.868 0.014 0.000 0.864 419 T HN 0.294 nan 8.240 nan 0.000 0.407 420 E N 1.193 121.423 120.200 0.049 0.000 2.108 420 E HA -0.226 4.126 4.350 0.003 0.000 0.203 420 E C 2.465 178.924 176.600 -0.235 0.000 1.022 420 E CA 1.562 57.960 56.400 -0.003 0.000 0.823 420 E CB -0.682 29.133 29.700 0.193 0.000 0.744 420 E HN 0.552 nan 8.360 nan 0.000 0.456 421 A N 0.792 123.501 122.820 -0.184 0.000 2.019 421 A HA -0.177 4.145 4.320 0.003 0.000 0.219 421 A C 2.174 179.665 177.584 -0.154 0.000 1.164 421 A CA 1.610 53.447 52.037 -0.333 0.000 0.644 421 A CB -0.392 18.712 19.000 0.173 0.000 0.805 421 A HN 0.104 nan 8.150 nan 0.000 0.449 422 R N -0.512 119.952 120.500 -0.059 0.000 2.100 422 R HA -0.046 4.296 4.340 0.003 0.000 0.220 422 R C 1.518 177.796 176.300 -0.035 0.000 1.091 422 R CA 1.274 57.365 56.100 -0.013 0.000 0.986 422 R CB -0.085 30.226 30.300 0.018 0.000 0.888 422 R HN 0.524 nan 8.270 nan 0.000 0.444 423 N N 0.304 118.966 118.700 -0.064 0.000 2.250 423 N HA -0.100 4.642 4.740 0.003 0.000 0.181 423 N C 1.627 177.086 175.510 -0.084 0.000 1.017 423 N CA 0.763 53.780 53.050 -0.055 0.000 0.866 423 N CB -0.142 38.319 38.487 -0.044 0.000 0.985 423 N HN 0.114 nan 8.380 nan 0.000 0.429 424 L N 0.855 121.978 121.223 -0.167 0.000 1.994 424 L HA -0.151 4.191 4.340 0.003 0.000 0.208 424 L C 2.390 179.166 176.870 -0.158 0.000 1.071 424 L CA 1.605 56.325 54.840 -0.199 0.000 0.745 424 L CB -0.464 41.354 42.059 -0.401 0.000 0.892 424 L HN 0.258 nan 8.230 nan 0.000 0.431 425 S N -1.707 113.898 115.700 -0.158 0.000 2.478 425 S HA -0.071 4.401 4.470 0.003 0.000 0.222 425 S C 0.971 175.562 174.600 -0.014 0.000 1.008 425 S CA 0.298 58.438 58.200 -0.100 0.000 0.928 425 S CB -0.105 63.058 63.200 -0.060 0.000 0.781 425 S HN 0.550 nan 8.310 nan 0.000 0.518 426 N N 1.200 119.896 118.700 -0.006 0.000 2.858 426 N HA -0.099 4.643 4.740 0.003 0.000 0.247 426 N C -0.324 175.223 175.510 0.061 0.000 1.092 426 N CA 0.749 53.809 53.050 0.017 0.000 0.675 426 N CB -1.511 36.981 38.487 0.007 0.000 0.959 426 N HN 0.750 nan 8.380 nan 0.000 0.558 427 A N 0.034 122.908 122.820 0.090 0.000 2.279 427 A HA 0.430 4.752 4.320 0.003 0.000 0.303 427 A C 1.241 178.881 177.584 0.093 0.000 1.108 427 A CA -0.183 51.943 52.037 0.148 0.000 0.830 427 A CB 0.835 19.952 19.000 0.195 0.000 1.106 427 A HN 0.410 nan 8.150 nan 0.000 0.493 428 E N -0.362 119.896 120.200 0.097 0.000 2.107 428 E HA 0.003 4.355 4.350 0.003 0.000 0.191 428 E C 0.237 176.879 176.600 0.070 0.000 0.982 428 E CA 1.264 57.705 56.400 0.068 0.000 0.809 428 E CB -0.044 29.696 29.700 0.066 0.000 0.756 428 E HN 0.643 nan 8.360 nan 0.000 0.459 429 I N -2.958 117.667 120.570 0.091 0.000 2.743 429 I HA 0.356 4.528 4.170 0.003 0.000 0.292 429 I C -1.360 174.811 176.117 0.090 0.000 1.343 429 I CA -1.114 60.233 61.300 0.079 0.000 1.038 429 I CB 1.399 39.444 38.000 0.074 0.000 1.311 429 I HN -0.117 nan 8.210 nan 0.000 0.426 430 C N 4.493 123.835 119.300 0.070 0.000 2.507 430 C HA 0.875 5.337 4.460 0.003 0.000 0.319 430 C C 0.280 175.292 174.990 0.038 0.000 1.208 430 C CA 0.149 59.207 59.018 0.067 0.000 1.619 430 C CB 1.427 29.214 27.740 0.078 0.000 2.230 430 C HN 0.992 nan 8.230 nan 0.000 0.492 431 S N 4.095 119.815 115.700 0.034 0.000 2.542 431 S HA 0.857 5.329 4.470 0.003 0.000 0.293 431 S C -1.004 173.549 174.600 -0.079 0.000 1.089 431 S CA -0.562 57.614 58.200 -0.041 0.000 0.961 431 S CB 1.386 64.589 63.200 0.006 0.000 1.062 431 S HN 1.359 nan 8.310 nan 0.000 0.483 432 V N 0.334 120.101 119.914 -0.245 0.000 2.531 432 V HA 0.713 4.835 4.120 0.003 0.000 0.301 432 V C -1.348 174.509 176.094 -0.395 0.000 1.034 432 V CA -0.872 61.316 62.300 -0.188 0.000 0.865 432 V CB 0.467 32.228 31.823 -0.103 0.000 0.995 432 V HN 0.807 nan 8.190 nan 0.000 0.424 433 F N 3.920 123.822 119.950 -0.080 0.000 2.436 433 F HA 0.703 5.232 4.527 0.003 0.000 0.340 433 F C -0.023 175.741 175.800 -0.060 0.000 1.113 433 F CA -0.830 57.132 58.000 -0.063 0.000 1.022 433 F CB 1.802 40.763 39.000 -0.066 0.000 1.128 433 F HN 0.321 nan 8.300 nan 0.000 0.466 434 L N 4.633 125.902 121.223 0.076 0.000 2.298 434 L HA 0.324 4.666 4.340 0.003 0.000 0.284 434 L C -0.574 176.330 176.870 0.056 0.000 1.013 434 L CA -0.971 53.894 54.840 0.041 0.000 0.824 434 L CB 1.305 43.363 42.059 -0.001 0.000 1.221 434 L HN 0.436 nan 8.230 nan 0.000 0.418 435 L N 3.979 125.229 121.223 0.045 0.000 2.628 435 L HA -0.037 4.305 4.340 0.003 0.000 0.274 435 L C -0.145 176.737 176.870 0.020 0.000 1.209 435 L CA 0.877 55.735 54.840 0.030 0.000 0.930 435 L CB 0.249 42.316 42.059 0.013 0.000 1.183 435 L HN 0.642 nan 8.230 nan 0.000 0.492 436 D N 5.223 125.635 120.400 0.020 0.000 2.483 436 D HA 0.242 4.884 4.640 0.003 0.000 0.281 436 D C 0.627 176.931 176.300 0.007 0.000 1.174 436 D CA -0.193 53.814 54.000 0.012 0.000 0.938 436 D CB 0.525 41.333 40.800 0.013 0.000 1.002 436 D HN 0.518 nan 8.370 nan 0.000 0.501 437 Q N 2.011 121.814 119.800 0.004 0.000 2.047 437 Q HA -0.293 4.050 4.340 0.003 0.000 0.254 437 Q C -0.240 175.758 176.000 -0.003 0.000 2.588 437 Q CA 2.112 57.915 55.803 0.000 0.000 0.727 437 Q CB -1.513 27.225 28.738 0.000 0.000 1.552 437 Q HN 0.485 nan 8.270 nan 0.000 0.510 438 N N 1.528 120.226 118.700 -0.003 0.000 2.401 438 N HA 0.303 5.045 4.740 0.003 0.000 0.264 438 N C -1.355 174.151 175.510 -0.007 0.000 1.238 438 N CA 0.706 53.752 53.050 -0.007 0.000 0.889 438 N CB 0.429 38.911 38.487 -0.008 0.000 1.196 438 N HN 0.391 nan 8.380 nan 0.000 0.511 439 E N -0.770 119.429 120.200 -0.001 0.000 2.388 439 E HA 0.215 4.567 4.350 0.003 0.000 0.280 439 E C -1.433 175.182 176.600 0.026 0.000 1.019 439 E CA -0.865 55.538 56.400 0.004 0.000 0.806 439 E CB 0.775 30.480 29.700 0.007 0.000 1.246 439 E HN -0.060 nan 8.360 nan 0.000 0.443 440 L N 1.511 122.759 121.223 0.040 0.000 2.292 440 L HA 0.498 4.840 4.340 0.003 0.000 0.284 440 L C -0.689 176.311 176.870 0.216 0.000 1.065 440 L CA -1.164 53.753 54.840 0.127 0.000 0.806 440 L CB 1.440 43.532 42.059 0.056 0.000 1.175 440 L HN 0.394 nan 8.230 nan 0.000 0.431 441 V N 3.189 123.218 119.914 0.192 0.000 2.305 441 V HA 0.397 4.519 4.120 0.003 0.000 0.275 441 V C 0.288 176.360 176.094 -0.036 0.000 1.020 441 V CA -0.442 61.913 62.300 0.092 0.000 0.811 441 V CB 1.322 33.163 31.823 0.030 0.000 1.031 441 V HN 0.828 nan 8.190 nan 0.000 0.439 442 A N 4.667 127.343 122.820 -0.241 0.000 2.880 442 A HA 0.457 4.779 4.320 0.003 0.000 0.328 442 A C 1.358 178.730 177.584 -0.354 0.000 1.440 442 A CA -0.537 51.083 52.037 -0.697 0.000 1.068 442 A CB 0.067 17.799 19.000 -2.114 0.000 1.163 442 A HN 0.620 nan 8.150 nan 0.000 0.510 443 K N 0.942 121.237 120.400 -0.176 0.000 2.063 443 K HA -0.099 4.223 4.320 0.003 0.000 0.208 443 K C 1.346 177.946 176.600 -0.001 0.000 1.048 443 K CA 0.826 57.077 56.287 -0.060 0.000 0.928 443 K CB -0.771 31.715 32.500 -0.023 0.000 0.713 443 K HN 0.514 nan 8.250 nan 0.000 0.442 455 Y N 0.956 121.235 120.300 -0.036 0.000 2.772 455 Y HA 0.855 5.407 4.550 0.003 0.000 0.324 455 Y C -0.136 175.740 175.900 -0.040 0.000 1.169 455 Y CA -1.549 56.532 58.100 -0.031 0.000 1.198 455 Y CB 0.918 39.365 38.460 -0.022 0.000 1.402 455 Y HN 0.577 nan 8.280 nan 0.000 0.577 456 E N 1.032 121.328 120.200 0.161 0.000 2.191 456 E HA 0.439 4.791 4.350 0.003 0.000 0.263 456 E C -1.724 174.847 176.600 -0.047 0.000 0.881 456 E CA -0.596 55.824 56.400 0.034 0.000 0.757 456 E CB 2.590 32.306 29.700 0.026 0.000 1.147 456 E HN 0.418 nan 8.360 nan 0.000 0.414 457 I N 3.299 123.822 120.570 -0.077 0.000 2.437 457 I HA 0.238 4.410 4.170 0.003 0.000 0.279 457 I C 0.021 176.142 176.117 0.007 0.000 1.028 457 I CA -0.281 60.971 61.300 -0.079 0.000 1.142 457 I CB 0.755 38.673 38.000 -0.136 0.000 1.266 457 I HN 0.261 nan 8.210 nan 0.000 0.461 458 R N 4.273 124.780 120.500 0.011 0.000 2.541 458 R HA 0.806 5.148 4.340 0.003 0.000 0.263 458 R C -0.904 175.423 176.300 0.045 0.000 1.112 458 R CA -0.439 55.683 56.100 0.036 0.000 1.170 458 R CB 0.705 31.014 30.300 0.015 0.000 1.167 458 R HN 0.418 nan 8.270 nan 0.000 0.582 459 I N -0.095 120.497 120.570 0.036 0.000 2.323 459 I HA 0.098 4.270 4.170 0.003 0.000 0.314 459 I C -2.731 173.382 176.117 -0.007 0.000 2.286 459 I CA -2.013 59.294 61.300 0.011 0.000 0.922 459 I CB 1.878 39.886 38.000 0.012 0.000 1.711 459 I HN 0.513 nan 8.210 nan 0.000 0.659 460 P HA 0.208 nan 4.420 nan 0.000 0.271 460 P C 0.188 177.459 177.300 -0.047 0.000 1.220 460 P CA -0.054 63.029 63.100 -0.029 0.000 0.768 460 P CB 0.689 32.371 31.700 -0.029 0.000 0.848 461 A N 3.939 126.737 122.820 -0.038 0.000 2.084 461 A HA -0.193 4.129 4.320 0.003 0.000 0.221 461 A C 1.364 178.910 177.584 -0.063 0.000 1.161 461 A CA 1.950 53.958 52.037 -0.048 0.000 0.653 461 A CB -0.859 18.123 19.000 -0.030 0.000 0.802 461 A HN 0.633 nan 8.150 nan 0.000 0.457 462 D N -1.099 119.269 120.400 -0.053 0.000 2.398 462 D HA 0.034 4.676 4.640 0.003 0.000 0.210 462 D C 0.683 176.959 176.300 -0.040 0.000 1.094 462 D CA 0.006 53.977 54.000 -0.048 0.000 0.839 462 D CB -0.640 40.137 40.800 -0.038 0.000 0.963 462 D HN 0.693 nan 8.370 nan 0.000 0.506 463 Q N 0.863 120.629 119.800 -0.056 0.000 2.259 463 Q HA 0.432 4.774 4.340 0.003 0.000 0.249 463 Q C 0.755 176.708 176.000 -0.079 0.000 0.914 463 Q CA 0.037 55.806 55.803 -0.056 0.000 0.904 463 Q CB 1.471 30.175 28.738 -0.057 0.000 1.213 463 Q HN 0.098 nan 8.270 nan 0.000 0.428 464 G N 2.237 111.001 108.800 -0.061 0.000 2.601 464 G HA2 -0.339 3.623 3.960 0.003 0.000 0.261 464 G HA3 -0.339 3.623 3.960 0.003 0.000 0.261 464 G C 0.462 175.321 174.900 -0.069 0.000 1.289 464 G CA 0.082 45.136 45.100 -0.076 0.000 0.920 464 G HN 0.790 nan 8.290 nan 0.000 0.571 465 I N 0.898 121.410 120.570 -0.096 0.000 2.072 465 I HA -0.162 4.010 4.170 0.003 0.000 0.235 465 I C 3.396 179.461 176.117 -0.086 0.000 1.058 465 I CA 2.490 63.741 61.300 -0.082 0.000 1.320 465 I CB -0.889 37.058 38.000 -0.089 0.000 1.047 465 I HN 0.828 nan 8.210 nan 0.000 0.397 466 A N 0.887 123.584 122.820 -0.205 0.000 1.896 466 A HA -0.290 4.032 4.320 0.003 0.000 0.220 466 A C 2.384 179.853 177.584 -0.191 0.000 1.206 466 A CA 2.520 54.376 52.037 -0.302 0.000 0.647 466 A CB -1.775 16.807 19.000 -0.698 0.000 0.828 466 A HN 0.555 nan 8.150 nan 0.000 0.455 467 G N -1.601 107.101 108.800 -0.163 0.000 2.446 467 G HA2 -0.321 3.641 3.960 0.003 0.000 0.217 467 G HA3 -0.321 3.641 3.960 0.003 0.000 0.217 467 G C 1.442 176.319 174.900 -0.038 0.000 1.168 467 G CA 1.650 46.693 45.100 -0.095 0.000 0.771 467 G HN 0.835 nan 8.290 nan 0.000 0.551 468 H N 0.035 119.053 119.070 -0.086 0.000 2.253 468 H HA -0.056 4.502 4.556 0.003 0.000 0.296 468 H C 2.676 177.975 175.328 -0.049 0.000 1.074 468 H CA 2.098 58.112 56.048 -0.057 0.000 1.263 468 H CB -0.413 29.320 29.762 -0.048 0.000 1.363 468 H HN 0.059 nan 8.280 nan 0.000 0.489 469 V N 0.827 120.810 119.914 0.114 0.000 2.370 469 V HA -0.352 3.770 4.120 0.003 0.000 0.252 469 V C 2.667 178.740 176.094 -0.034 0.000 1.068 469 V CA 1.952 64.284 62.300 0.053 0.000 1.061 469 V CB -1.256 30.596 31.823 0.048 0.000 0.656 469 V HN 0.737 nan 8.190 nan 0.000 0.455 470 A N -1.551 121.234 122.820 -0.059 0.000 1.929 470 A HA -0.195 4.127 4.320 0.003 0.000 0.216 470 A C 2.391 179.930 177.584 -0.074 0.000 1.176 470 A CA 2.335 54.335 52.037 -0.062 0.000 0.628 470 A CB -0.782 18.175 19.000 -0.070 0.000 0.816 470 A HN 0.469 nan 8.150 nan 0.000 0.444 471 T N -0.438 114.050 114.554 -0.110 0.000 2.668 471 T HA -0.127 4.225 4.350 0.003 0.000 0.262 471 T C 2.269 176.880 174.700 -0.148 0.000 1.045 471 T CA 2.552 64.575 62.100 -0.128 0.000 1.152 471 T CB -0.475 68.301 68.868 -0.154 0.000 0.864 471 T HN 0.756 nan 8.240 nan 0.000 0.419 472 T N -0.794 113.619 114.554 -0.236 0.000 2.995 472 T HA 0.169 4.521 4.350 0.003 0.000 0.269 472 T C 1.703 176.350 174.700 -0.088 0.000 1.091 472 T CA 1.451 63.431 62.100 -0.200 0.000 1.128 472 T CB -0.687 67.978 68.868 -0.339 0.000 0.891 472 T HN 0.634 nan 8.240 nan 0.000 0.492 473 G N 1.116 109.880 108.800 -0.059 0.000 2.179 473 G HA2 -0.236 3.726 3.960 0.003 0.000 0.257 473 G HA3 -0.236 3.726 3.960 0.003 0.000 0.257 473 G C -0.305 174.604 174.900 0.015 0.000 1.010 473 G CA 0.442 45.534 45.100 -0.014 0.000 0.736 473 G HN 0.799 nan 8.290 nan 0.000 0.513 474 Q N -0.160 119.655 119.800 0.025 0.000 2.347 474 Q HA 0.631 4.973 4.340 0.003 0.000 0.271 474 Q C 0.821 176.873 176.000 0.087 0.000 1.064 474 Q CA -1.428 54.408 55.803 0.054 0.000 0.800 474 Q CB 1.925 30.691 28.738 0.047 0.000 1.304 474 Q HN 0.208 nan 8.270 nan 0.000 0.438 475 I N 1.184 121.812 120.570 0.096 0.000 3.392 475 I HA -0.113 4.059 4.170 0.003 0.000 0.286 475 I C 0.051 176.224 176.117 0.094 0.000 1.286 475 I CA 0.636 62.003 61.300 0.111 0.000 1.359 475 I CB -0.473 37.577 38.000 0.083 0.000 1.335 475 I HN 0.676 nan 8.210 nan 0.000 0.602 476 L N 3.035 124.305 121.223 0.077 0.000 2.580 476 L HA 0.370 4.712 4.340 0.003 0.000 0.266 476 L C -0.717 176.176 176.870 0.038 0.000 0.955 476 L CA -0.240 54.633 54.840 0.056 0.000 0.886 476 L CB 1.353 43.441 42.059 0.048 0.000 1.263 476 L HN 0.621 nan 8.230 nan 0.000 0.406 477 N N 4.660 123.397 118.700 0.061 0.000 2.399 477 N HA 0.615 5.357 4.740 0.003 0.000 0.295 477 N C -1.429 174.194 175.510 0.188 0.000 1.048 477 N CA -0.200 52.916 53.050 0.110 0.000 0.886 477 N CB 1.861 40.419 38.487 0.119 0.000 1.185 477 N HN 0.526 nan 8.380 nan 0.000 0.487 478 I N 5.081 125.817 120.570 0.278 0.000 2.447 478 I HA 0.355 4.527 4.170 0.003 0.000 0.287 478 I C -1.647 174.714 176.117 0.405 0.000 1.023 478 I CA -1.992 59.474 61.300 0.277 0.000 1.083 478 I CB 2.675 40.779 38.000 0.173 0.000 1.245 478 I HN 0.452 nan 8.210 nan 0.000 0.434 479 P HA -0.019 nan 4.420 nan 0.000 0.212 479 P C -0.339 176.903 177.300 -0.096 0.000 1.179 479 P CA 0.983 64.128 63.100 0.075 0.000 0.898 479 P CB 0.213 31.715 31.700 -0.329 0.000 0.775 480 D N -2.358 118.004 120.400 -0.063 0.000 2.350 480 D HA 0.464 5.106 4.640 0.003 0.000 0.245 480 D C 0.398 176.736 176.300 0.063 0.000 1.036 480 D CA -0.804 53.196 54.000 0.001 0.000 0.848 480 D CB 1.460 42.248 40.800 -0.021 0.000 1.307 480 D HN -0.113 nan 8.370 nan 0.000 0.469 481 A N 2.776 125.654 122.820 0.097 0.000 2.081 481 A HA 0.094 4.416 4.320 0.003 0.000 0.214 481 A C 0.363 177.865 177.584 -0.138 0.000 1.158 481 A CA 0.617 52.641 52.037 -0.021 0.000 0.724 481 A CB -0.403 18.550 19.000 -0.078 0.000 0.826 481 A HN 0.585 nan 8.150 nan 0.000 0.463 499 T N 1.315 115.943 114.554 0.124 0.000 2.905 499 T HA 0.164 4.516 4.350 0.003 0.000 0.400 499 T C 1.334 176.122 174.700 0.146 0.000 1.098 499 T CA 0.789 62.982 62.100 0.156 0.000 1.095 499 T CB 0.542 69.547 68.868 0.229 0.000 1.281 499 T HN 0.537 nan 8.240 nan 0.000 0.515 500 R N -0.540 120.064 120.500 0.172 0.000 4.540 500 R HA -0.058 4.284 4.340 0.003 0.000 0.036 500 R C -1.037 175.336 176.300 0.121 0.000 0.811 500 R CA -0.387 55.789 56.100 0.127 0.000 2.430 500 R CB -0.619 29.706 30.300 0.041 0.000 0.855 500 R HN 0.627 nan 8.270 nan 0.000 0.498 501 N N 2.016 120.783 118.700 0.111 0.000 2.485 501 N HA 0.766 5.508 4.740 0.003 0.000 0.280 501 N C -0.849 174.901 175.510 0.400 0.000 1.205 501 N CA -0.766 52.418 53.050 0.223 0.000 0.959 501 N CB 1.605 40.175 38.487 0.139 0.000 1.206 501 N HN 0.395 nan 8.380 nan 0.000 0.545 502 I N -0.115 120.778 120.570 0.539 0.000 2.627 502 I HA 0.192 4.364 4.170 0.003 0.000 0.288 502 I C -1.686 174.462 176.117 0.052 0.000 1.202 502 I CA -0.681 60.817 61.300 0.330 0.000 1.050 502 I CB 1.867 39.944 38.000 0.127 0.000 1.264 502 I HN 0.359 nan 8.210 nan 0.000 0.429 503 L N 6.866 127.751 121.223 -0.562 0.000 2.280 503 L HA 0.658 5.000 4.340 0.003 0.000 0.287 503 L C -0.875 175.870 176.870 -0.207 0.000 1.023 503 L CA -0.368 54.069 54.840 -0.671 0.000 0.819 503 L CB 1.129 42.331 42.059 -1.429 0.000 1.212 503 L HN 0.846 nan 8.230 nan 0.000 0.420 504 C N 6.807 126.082 119.300 -0.041 0.000 2.441 504 C HA 0.844 5.306 4.460 0.003 0.000 0.318 504 C C -0.628 174.441 174.990 0.132 0.000 1.222 504 C CA -0.743 58.281 59.018 0.010 0.000 1.474 504 C CB 0.190 27.909 27.740 -0.035 0.000 2.125 504 C HN 0.753 nan 8.230 nan 0.000 0.479 505 F N 4.939 124.878 119.950 -0.018 0.000 2.599 505 F HA 0.889 5.419 4.527 0.004 0.000 0.311 505 F C -2.796 173.020 175.800 0.026 0.000 1.076 505 F CA -2.671 55.331 58.000 0.004 0.000 0.937 505 F CB 0.624 39.627 39.000 0.005 0.000 1.282 505 F HN 0.338 nan 8.300 nan 0.000 0.460 506 P HA 0.294 nan 4.420 nan 0.000 0.275 506 P C -0.234 177.128 177.300 0.104 0.000 1.266 506 P CA 0.004 63.143 63.100 0.066 0.000 0.793 506 P CB 1.733 33.480 31.700 0.078 0.000 1.074 507 I N -1.535 119.067 120.570 0.053 0.000 3.739 507 I HA 0.124 4.296 4.170 0.003 0.000 0.272 507 I C 0.084 176.230 176.117 0.047 0.000 1.167 507 I CA 0.659 61.996 61.300 0.062 0.000 1.386 507 I CB -0.426 37.588 38.000 0.025 0.000 1.490 507 I HN 0.515 nan 8.210 nan 0.000 0.452 508 K N 1.921 122.338 120.400 0.028 0.000 7.206 508 K HA -0.221 4.101 4.320 0.003 0.000 0.574 508 K C -0.756 175.853 176.600 0.015 0.000 2.585 508 K CA 0.849 57.148 56.287 0.019 0.000 2.031 508 K CB -1.508 31.004 32.500 0.021 0.000 2.135 508 K HN 0.440 nan 8.250 nan 0.000 0.221 509 N N 0.625 119.332 118.700 0.011 0.000 2.681 509 N HA 0.180 4.922 4.740 0.003 0.000 0.311 509 N C 0.470 175.984 175.510 0.006 0.000 1.303 509 N CA -0.229 52.827 53.050 0.011 0.000 0.926 509 N CB 0.201 38.697 38.487 0.015 0.000 1.136 509 N HN 0.615 nan 8.380 nan 0.000 0.592 510 E N -0.197 120.007 120.200 0.007 0.000 2.197 510 E HA -0.255 4.097 4.350 0.003 0.000 0.205 510 E C 0.901 177.500 176.600 -0.002 0.000 1.029 510 E CA 1.589 57.989 56.400 0.001 0.000 0.828 510 E CB -0.636 29.068 29.700 0.006 0.000 0.737 510 E HN 0.646 nan 8.360 nan 0.000 0.464 511 N N -0.472 118.229 118.700 0.002 0.000 2.202 511 N HA -0.020 4.722 4.740 0.003 0.000 0.191 511 N C 1.099 176.609 175.510 -0.000 0.000 1.054 511 N CA 0.474 53.524 53.050 0.001 0.000 0.877 511 N CB 0.172 38.660 38.487 0.002 0.000 1.057 511 N HN -0.048 nan 8.380 nan 0.000 0.456 512 Q N -0.365 119.436 119.800 0.002 0.000 1.361 512 Q HA -0.016 4.326 4.340 0.003 0.000 0.131 512 Q C -1.527 174.475 176.000 0.003 0.000 0.749 512 Q CA 0.042 55.847 55.803 0.003 0.000 0.635 512 Q CB 0.196 28.936 28.738 0.002 0.000 1.154 512 Q HN 0.438 nan 8.270 nan 0.000 0.322 513 E N 1.537 121.738 120.200 0.003 0.000 1.944 513 E HA 0.152 4.505 4.350 0.003 0.000 0.272 513 E C 0.147 176.750 176.600 0.004 0.000 1.195 513 E CA -0.161 56.240 56.400 0.001 0.000 0.926 513 E CB 0.976 30.677 29.700 0.002 0.000 1.051 513 E HN -0.055 nan 8.360 nan 0.000 0.404 514 V N 5.053 124.968 119.914 0.002 0.000 2.555 514 V HA -0.173 3.950 4.120 0.003 0.000 0.299 514 V C 1.242 177.337 176.094 0.003 0.000 1.012 514 V CA 0.799 63.101 62.300 0.004 0.000 1.180 514 V CB 0.024 31.844 31.823 -0.005 0.000 0.887 514 V HN 0.785 nan 8.190 nan 0.000 0.476 515 I N 3.377 123.951 120.570 0.007 0.000 4.057 515 I HA 0.387 4.559 4.170 0.003 0.000 0.334 515 I C 0.868 176.991 176.117 0.009 0.000 1.308 515 I CA 1.060 62.364 61.300 0.007 0.000 1.125 515 I CB 0.384 38.389 38.000 0.008 0.000 1.034 515 I HN 0.755 nan 8.210 nan 0.000 0.401 516 G N -0.069 108.736 108.800 0.009 0.000 2.495 516 G HA2 0.525 4.487 3.960 0.003 0.000 0.294 516 G HA3 0.525 4.487 3.960 0.003 0.000 0.294 516 G C -1.920 172.979 174.900 -0.002 0.000 1.397 516 G CA -0.292 44.818 45.100 0.016 0.000 0.790 516 G HN -0.189 nan 8.290 nan 0.000 0.486 517 V N -0.763 119.156 119.914 0.007 0.000 2.969 517 V HA 0.847 4.969 4.120 0.003 0.000 0.304 517 V C -0.195 175.847 176.094 -0.085 0.000 1.192 517 V CA -0.307 61.952 62.300 -0.069 0.000 0.962 517 V CB 1.569 33.359 31.823 -0.054 0.000 1.045 517 V HN 1.923 nan 8.190 nan 0.000 0.428 518 A N 2.960 125.547 122.820 -0.388 0.000 2.393 518 A HA 0.934 5.256 4.320 0.003 0.000 0.306 518 A C -0.756 176.600 177.584 -0.379 0.000 1.050 518 A CA -0.575 51.233 52.037 -0.381 0.000 0.724 518 A CB 1.645 20.340 19.000 -0.508 0.000 1.248 518 A HN 1.046 nan 8.150 nan 0.000 0.424 519 E N 2.077 122.226 120.200 -0.085 0.000 2.234 519 E HA 0.678 5.030 4.350 0.003 0.000 0.266 519 E C -1.695 174.926 176.600 0.036 0.000 0.877 519 E CA -0.699 55.685 56.400 -0.028 0.000 0.758 519 E CB 1.520 31.221 29.700 0.002 0.000 1.170 519 E HN 0.430 nan 8.360 nan 0.000 0.415 520 L N 2.679 123.917 121.223 0.025 0.000 2.317 520 L HA 0.527 4.869 4.340 0.003 0.000 0.281 520 L C -0.729 176.253 176.870 0.186 0.000 1.024 520 L CA -1.064 53.830 54.840 0.090 0.000 0.810 520 L CB 1.843 43.943 42.059 0.068 0.000 1.240 520 L HN 0.483 nan 8.230 nan 0.000 0.427 521 V N 1.963 122.023 119.914 0.243 0.000 2.555 521 V HA 0.519 4.641 4.120 0.003 0.000 0.302 521 V C -0.706 175.551 176.094 0.271 0.000 1.038 521 V CA -1.083 61.384 62.300 0.278 0.000 0.887 521 V CB 1.490 33.410 31.823 0.162 0.000 0.991 521 V HN 0.898 nan 8.190 nan 0.000 0.434 522 N N 1.646 120.490 118.700 0.240 0.000 3.923 522 N HA -0.180 4.562 4.740 0.003 0.000 0.306 522 N C -0.702 174.787 175.510 -0.036 0.000 2.133 522 N CA 0.456 53.537 53.050 0.051 0.000 2.838 522 N CB -0.201 38.320 38.487 0.056 0.000 0.433 522 N HN 0.961 nan 8.380 nan 0.000 0.727 523 K N 2.329 122.577 120.400 -0.253 0.000 2.174 523 K HA 0.455 4.777 4.320 0.003 0.000 0.275 523 K C 0.010 176.556 176.600 -0.089 0.000 1.015 523 K CA -0.542 55.600 56.287 -0.241 0.000 0.933 523 K CB 0.624 32.873 32.500 -0.419 0.000 1.025 523 K HN 0.445 nan 8.250 nan 0.000 0.463 524 I N 4.172 124.718 120.570 -0.040 0.000 2.365 524 I HA 0.148 4.320 4.170 0.003 0.000 0.291 524 I C 0.084 176.192 176.117 -0.015 0.000 1.004 524 I CA -0.394 60.897 61.300 -0.015 0.000 1.311 524 I CB 0.457 38.459 38.000 0.003 0.000 1.401 524 I HN 0.924 nan 8.210 nan 0.000 0.491 525 N N 4.249 122.944 118.700 -0.007 0.000 2.681 525 N HA -0.119 4.623 4.740 0.003 0.000 0.259 525 N C -0.513 174.998 175.510 0.003 0.000 1.066 525 N CA 1.089 54.140 53.050 0.002 0.000 0.717 525 N CB -0.775 37.718 38.487 0.010 0.000 0.885 525 N HN 1.224 nan 8.380 nan 0.000 0.547 526 G N -0.173 108.626 108.800 -0.001 0.000 2.377 526 G HA2 0.373 4.335 3.960 0.003 0.000 0.297 526 G HA3 0.373 4.335 3.960 0.003 0.000 0.297 526 G C -2.386 172.533 174.900 0.031 0.000 1.547 526 G CA -0.317 44.796 45.100 0.021 0.000 0.833 526 G HN 0.049 nan 8.290 nan 0.000 0.583 527 P HA 0.170 nan 4.420 nan 0.000 0.221 527 P C 0.126 177.503 177.300 0.128 0.000 1.155 527 P CA 1.352 64.515 63.100 0.104 0.000 0.812 527 P CB 0.216 32.027 31.700 0.185 0.000 0.801 528 W N -1.060 120.110 121.300 -0.218 0.000 3.273 528 W HA 0.411 5.074 4.660 0.004 0.000 0.395 528 W C -1.416 174.764 176.519 -0.566 0.000 1.503 528 W CA -1.440 55.682 57.345 -0.372 0.000 1.456 528 W CB -0.890 28.506 29.460 -0.106 0.000 1.402 528 W HN -0.389 nan 8.180 nan 0.000 0.646 529 F N 2.503 122.540 119.950 0.144 0.000 2.402 529 F HA 0.542 5.071 4.527 0.003 0.000 0.355 529 F C 0.728 176.380 175.800 -0.246 0.000 1.123 529 F CA -0.952 57.009 58.000 -0.065 0.000 1.021 529 F CB 1.499 40.482 39.000 -0.027 0.000 1.160 529 F HN -0.037 nan 8.300 nan 0.000 0.451 530 S N 3.314 118.951 115.700 -0.104 0.000 2.593 530 S HA -0.053 4.419 4.470 0.003 0.000 0.300 530 S C 1.229 175.753 174.600 -0.126 0.000 1.267 530 S CA -0.481 57.633 58.200 -0.143 0.000 1.065 530 S CB 0.448 63.617 63.200 -0.052 0.000 0.807 530 S HN 0.552 nan 8.310 nan 0.000 0.499 531 K N 1.281 121.606 120.400 -0.126 0.000 2.585 531 K HA -0.097 4.225 4.320 0.003 0.000 0.194 531 K C 1.099 177.709 176.600 0.016 0.000 1.037 531 K CA 0.616 56.857 56.287 -0.076 0.000 0.964 531 K CB -0.318 32.127 32.500 -0.092 0.000 0.787 531 K HN 0.789 nan 8.250 nan 0.000 0.488 532 F N 1.098 121.002 119.950 -0.077 0.000 2.505 532 F HA 0.152 4.681 4.527 0.004 0.000 0.289 532 F C 0.223 175.991 175.800 -0.052 0.000 1.101 532 F CA -0.141 57.821 58.000 -0.063 0.000 1.446 532 F CB 0.024 38.985 39.000 -0.065 0.000 1.123 532 F HN -0.221 nan 8.300 nan 0.000 0.564 533 D N 2.222 122.226 120.400 -0.660 0.000 2.545 533 D HA 0.157 4.799 4.640 0.003 0.000 0.227 533 D C 0.537 176.664 176.300 -0.287 0.000 1.150 533 D CA 0.578 54.213 54.000 -0.609 0.000 1.046 533 D CB 0.297 40.895 40.800 -0.337 0.000 1.098 533 D HN 0.658 nan 8.370 nan 0.000 0.502 534 E N -0.334 119.724 120.200 -0.236 0.000 1.920 534 E HA -0.097 4.255 4.350 0.003 0.000 0.250 534 E C 0.375 176.900 176.600 -0.125 0.000 1.075 534 E CA -0.073 56.227 56.400 -0.167 0.000 1.683 534 E CB 0.054 29.700 29.700 -0.090 0.000 3.768 534 E HN 0.061 nan 8.360 nan 0.000 0.959 535 D N 1.704 122.079 120.400 -0.043 0.000 2.234 535 D HA -0.067 4.575 4.640 0.003 0.000 0.205 535 D C 1.825 178.136 176.300 0.018 0.000 0.962 535 D CA 0.485 54.490 54.000 0.010 0.000 0.855 535 D CB 0.157 40.998 40.800 0.068 0.000 0.951 535 D HN 0.134 nan 8.370 nan 0.000 0.500 536 L N 0.379 121.603 121.223 0.002 0.000 2.095 536 L HA 0.049 4.391 4.340 0.003 0.000 0.204 536 L C 2.086 178.902 176.870 -0.090 0.000 1.080 536 L CA 1.048 55.892 54.840 0.007 0.000 0.759 536 L CB -0.264 41.781 42.059 -0.023 0.000 0.914 536 L HN 0.071 nan 8.230 nan 0.000 0.439 537 A N -0.827 121.848 122.820 -0.241 0.000 1.930 537 A HA -0.166 4.156 4.320 0.003 0.000 0.217 537 A C 2.155 179.479 177.584 -0.433 0.000 1.175 537 A CA 2.038 53.798 52.037 -0.463 0.000 0.627 537 A CB -0.772 17.794 19.000 -0.723 0.000 0.815 537 A HN 0.439 nan 8.150 nan 0.000 0.443 538 T N 0.180 114.592 114.554 -0.237 0.000 2.821 538 T HA 0.041 4.393 4.350 0.003 0.000 0.267 538 T C 2.234 176.947 174.700 0.022 0.000 1.046 538 T CA 1.340 63.380 62.100 -0.099 0.000 1.139 538 T CB -0.388 68.457 68.868 -0.038 0.000 0.871 538 T HN 0.581 nan 8.240 nan 0.000 0.454 539 A N 1.484 124.344 122.820 0.067 0.000 1.851 539 A HA -0.086 4.236 4.320 0.003 0.000 0.216 539 A C 1.990 179.766 177.584 0.320 0.000 1.195 539 A CA 1.608 53.752 52.037 0.178 0.000 0.622 539 A CB -1.169 17.928 19.000 0.163 0.000 0.831 539 A HN 0.446 nan 8.150 nan 0.000 0.444 540 F N 1.102 121.107 119.950 0.092 0.000 2.065 540 F HA -0.196 4.333 4.527 0.003 0.000 0.298 540 F C 2.629 178.577 175.800 0.246 0.000 1.112 540 F CA 1.916 60.001 58.000 0.142 0.000 1.212 540 F CB -0.737 38.266 39.000 0.006 0.000 0.975 540 F HN 0.203 nan 8.300 nan 0.000 0.476 541 S N -0.071 115.733 115.700 0.173 0.000 2.488 541 S HA -0.157 4.315 4.470 0.003 0.000 0.246 541 S C 1.972 176.629 174.600 0.095 0.000 0.992 541 S CA 1.248 59.558 58.200 0.183 0.000 0.963 541 S CB -0.680 62.687 63.200 0.278 0.000 0.754 541 S HN 0.440 nan 8.310 nan 0.000 0.519 542 I N -0.739 119.876 120.570 0.074 0.000 2.480 542 I HA -0.065 4.107 4.170 0.003 0.000 0.251 542 I C 1.499 177.539 176.117 -0.129 0.000 1.124 542 I CA 0.883 62.142 61.300 -0.068 0.000 1.444 542 I CB -0.245 37.632 38.000 -0.205 0.000 1.098 542 I HN 0.298 nan 8.210 nan 0.000 0.428 543 Y N -0.113 120.174 120.300 -0.022 0.000 2.439 543 Y HA -0.154 4.398 4.550 0.003 0.000 0.292 543 Y C 2.645 178.521 175.900 -0.041 0.000 1.130 543 Y CA 0.630 58.761 58.100 0.052 0.000 1.254 543 Y CB -0.825 37.678 38.460 0.070 0.000 1.000 543 Y HN 0.233 nan 8.280 nan 0.000 0.554 544 C N -0.591 118.664 119.300 -0.076 0.000 2.466 544 C HA -0.052 4.410 4.460 0.003 0.000 0.278 544 C C 3.011 177.977 174.990 -0.042 0.000 1.288 544 C CA 1.237 60.177 59.018 -0.129 0.000 1.722 544 C CB -1.367 26.284 27.740 -0.148 0.000 2.017 544 C HN 0.722 nan 8.230 nan 0.000 0.488 545 G N 0.846 109.644 108.800 -0.003 0.000 2.402 545 G HA2 -0.093 3.869 3.960 0.003 0.000 0.216 545 G HA3 -0.093 3.869 3.960 0.003 0.000 0.216 545 G C 1.466 176.380 174.900 0.023 0.000 1.162 545 G CA 0.608 45.713 45.100 0.009 0.000 0.777 545 G HN 0.421 nan 8.290 nan 0.000 0.539 546 I N 2.134 122.732 120.570 0.046 0.000 2.163 546 I HA -0.202 3.970 4.170 0.003 0.000 0.243 546 I C 3.178 179.385 176.117 0.151 0.000 1.085 546 I CA 2.014 63.388 61.300 0.123 0.000 1.347 546 I CB -1.033 37.088 38.000 0.202 0.000 1.044 546 I HN 0.399 nan 8.210 nan 0.000 0.408 547 S N 0.951 116.670 115.700 0.032 0.000 2.387 547 S HA -0.081 4.391 4.470 0.003 0.000 0.226 547 S C 2.075 176.602 174.600 -0.122 0.000 1.026 547 S CA 0.576 58.620 58.200 -0.260 0.000 0.972 547 S CB -0.732 62.023 63.200 -0.742 0.000 0.814 547 S HN 0.307 nan 8.310 nan 0.000 0.477 548 I N 2.613 123.138 120.570 -0.075 0.000 2.179 548 I HA -0.097 4.075 4.170 0.003 0.000 0.242 548 I C 3.041 179.150 176.117 -0.013 0.000 1.088 548 I CA 1.198 62.469 61.300 -0.048 0.000 1.357 548 I CB -0.668 37.309 38.000 -0.038 0.000 1.051 548 I HN 0.419 nan 8.210 nan 0.000 0.409 549 A N -0.148 122.682 122.820 0.017 0.000 1.892 549 A HA -0.366 3.957 4.320 0.003 0.000 0.218 549 A C 2.256 179.879 177.584 0.065 0.000 1.188 549 A CA 2.600 54.662 52.037 0.041 0.000 0.631 549 A CB -1.107 17.927 19.000 0.057 0.000 0.822 549 A HN 0.584 nan 8.150 nan 0.000 0.447 550 H N -0.431 118.649 119.070 0.018 0.000 2.363 550 H HA -0.035 4.523 4.556 0.003 0.000 0.301 550 H C 2.429 177.782 175.328 0.041 0.000 1.074 550 H CA 1.816 57.885 56.048 0.035 0.000 1.354 550 H CB -0.271 29.515 29.762 0.040 0.000 1.397 550 H HN 0.437 nan 8.280 nan 0.000 0.516 551 S N -0.543 115.117 115.700 -0.067 0.000 2.387 551 S HA -0.153 4.319 4.470 0.003 0.000 0.230 551 S C 2.103 176.673 174.600 -0.050 0.000 1.035 551 S CA 1.645 59.799 58.200 -0.076 0.000 1.014 551 S CB -0.397 62.771 63.200 -0.054 0.000 0.836 551 S HN 0.484 nan 8.310 nan 0.000 0.466 552 L N 0.255 121.447 121.223 -0.051 0.000 2.068 552 L HA 0.108 4.450 4.340 0.003 0.000 0.204 552 L C 2.503 179.342 176.870 -0.051 0.000 1.076 552 L CA 0.874 55.691 54.840 -0.038 0.000 0.753 552 L CB -0.520 41.523 42.059 -0.026 0.000 0.910 552 L HN 0.293 nan 8.230 nan 0.000 0.439 553 L N -1.187 119.994 121.223 -0.070 0.000 2.447 553 L HA -0.261 4.081 4.340 0.003 0.000 0.225 553 L C 2.199 179.019 176.870 -0.083 0.000 1.148 553 L CA 1.215 56.015 54.840 -0.066 0.000 0.808 553 L CB -0.167 41.868 42.059 -0.040 0.000 0.928 553 L HN 0.268 nan 8.230 nan 0.000 0.448 554 Y N -1.011 119.119 120.300 -0.285 0.000 2.524 554 Y HA -0.022 4.530 4.550 0.004 0.000 0.270 554 Y C 2.358 178.180 175.900 -0.130 0.000 1.094 554 Y CA 0.774 58.726 58.100 -0.246 0.000 1.276 554 Y CB 0.143 38.393 38.460 -0.351 0.000 1.130 554 Y HN -0.008 nan 8.280 nan 0.000 0.536 555 K N 0.742 121.091 120.400 -0.085 0.000 2.002 555 K HA -0.167 4.155 4.320 0.003 0.000 0.209 555 K C 1.974 178.488 176.600 -0.143 0.000 1.048 555 K CA 1.499 57.711 56.287 -0.126 0.000 0.930 555 K CB -0.036 32.430 32.500 -0.058 0.000 0.714 555 K HN 0.145 nan 8.250 nan 0.000 0.438 556 K N 0.487 120.830 120.400 -0.095 0.000 2.107 556 K HA -0.205 4.117 4.320 0.003 0.000 0.211 556 K C 2.138 178.686 176.600 -0.087 0.000 1.049 556 K CA 2.063 58.307 56.287 -0.071 0.000 0.927 556 K CB -0.582 31.891 32.500 -0.046 0.000 0.714 556 K HN 0.132 nan 8.250 nan 0.000 0.452 557 V N 1.520 121.357 119.914 -0.128 0.000 2.221 557 V HA -0.243 3.879 4.120 0.003 0.000 0.242 557 V C 2.077 178.073 176.094 -0.164 0.000 1.041 557 V CA 1.826 64.043 62.300 -0.137 0.000 0.995 557 V CB -0.911 30.819 31.823 -0.155 0.000 0.635 557 V HN 0.301 nan 8.190 nan 0.000 0.448 558 N N 0.106 118.632 118.700 -0.290 0.000 2.133 558 N HA -0.234 4.509 4.740 0.003 0.000 0.193 558 N C 1.855 177.299 175.510 -0.110 0.000 1.012 558 N CA 1.919 54.822 53.050 -0.246 0.000 0.871 558 N CB -0.177 38.085 38.487 -0.375 0.000 1.011 558 N HN 0.603 nan 8.380 nan 0.000 0.435 559 E N 1.278 121.420 120.200 -0.097 0.000 2.001 559 E HA -0.141 4.212 4.350 0.003 0.000 0.195 559 E C 2.130 178.768 176.600 0.063 0.000 1.002 559 E CA 0.910 57.298 56.400 -0.020 0.000 0.819 559 E CB -0.654 29.028 29.700 -0.030 0.000 0.769 559 E HN 0.308 nan 8.360 nan 0.000 0.454 560 A N 1.733 124.562 122.820 0.015 0.000 1.859 560 A HA -0.334 3.988 4.320 0.003 0.000 0.218 560 A C 2.267 179.870 177.584 0.032 0.000 1.209 560 A CA 2.868 54.917 52.037 0.020 0.000 0.639 560 A CB -1.037 17.958 19.000 -0.008 0.000 0.835 560 A HN 0.299 nan 8.150 nan 0.000 0.450 561 Q N -1.551 118.252 119.800 0.005 0.000 2.268 561 Q HA -0.250 4.092 4.340 0.003 0.000 0.210 561 Q C 1.672 177.696 176.000 0.039 0.000 0.988 561 Q CA 2.599 58.399 55.803 -0.004 0.000 0.883 561 Q CB -0.684 28.027 28.738 -0.045 0.000 0.911 561 Q HN 0.794 nan 8.270 nan 0.000 0.430 562 Y N 0.162 120.427 120.300 -0.058 0.000 2.130 562 Y HA -0.018 4.534 4.550 0.003 0.000 0.287 562 Y C 1.982 177.930 175.900 0.079 0.000 1.124 562 Y CA 1.813 59.898 58.100 -0.025 0.000 1.118 562 Y CB -0.260 38.177 38.460 -0.038 0.000 0.994 562 Y HN 0.031 nan 8.280 nan 0.000 0.497 563 R N -0.142 120.362 120.500 0.006 0.000 2.154 563 R HA -0.190 4.153 4.340 0.003 0.000 0.248 563 R C 2.475 178.716 176.300 -0.098 0.000 1.155 563 R CA 1.549 57.591 56.100 -0.096 0.000 0.979 563 R CB -0.554 29.754 30.300 0.013 0.000 0.869 563 R HN 0.281 nan 8.270 nan 0.000 0.452 564 S N -0.447 115.230 115.700 -0.038 0.000 2.399 564 S HA -0.183 4.289 4.470 0.003 0.000 0.231 564 S C 1.717 176.301 174.600 -0.028 0.000 1.022 564 S CA 1.678 59.859 58.200 -0.032 0.000 0.983 564 S CB -0.181 63.010 63.200 -0.014 0.000 0.803 564 S HN 0.669 nan 8.310 nan 0.000 0.480 565 H N -0.707 118.255 119.070 -0.181 0.000 2.582 565 H HA 0.314 4.872 4.556 0.003 0.000 0.269 565 H C 2.002 177.178 175.328 -0.255 0.000 0.962 565 H CA 0.044 55.978 56.048 -0.191 0.000 1.230 565 H CB -0.222 29.455 29.762 -0.141 0.000 1.445 565 H HN 0.148 nan 8.280 nan 0.000 0.528 566 L N 0.969 121.946 121.223 -0.409 0.000 2.043 566 L HA -0.174 4.168 4.340 0.003 0.000 0.212 566 L C 2.632 179.282 176.870 -0.366 0.000 1.075 566 L CA 1.752 56.290 54.840 -0.504 0.000 0.752 566 L CB -1.103 40.704 42.059 -0.419 0.000 0.891 566 L HN 0.632 nan 8.230 nan 0.000 0.432 567 A N -0.197 122.467 122.820 -0.259 0.000 1.854 567 A HA -0.238 4.084 4.320 0.003 0.000 0.214 567 A C 2.043 179.494 177.584 -0.222 0.000 1.192 567 A CA 1.766 53.688 52.037 -0.192 0.000 0.611 567 A CB -0.721 18.200 19.000 -0.132 0.000 0.832 567 A HN 0.431 nan 8.150 nan 0.000 0.442 568 N N -0.113 118.454 118.700 -0.220 0.000 2.205 568 N HA -0.139 4.603 4.740 0.003 0.000 0.186 568 N C 1.612 176.929 175.510 -0.321 0.000 1.015 568 N CA 1.350 54.267 53.050 -0.222 0.000 0.862 568 N CB -0.138 38.259 38.487 -0.150 0.000 0.986 568 N HN 0.458 nan 8.380 nan 0.000 0.429 569 E N -0.475 119.444 120.200 -0.469 0.000 2.338 569 E HA -0.137 4.215 4.350 0.003 0.000 0.197 569 E C 1.626 177.879 176.600 -0.578 0.000 1.007 569 E CA 0.380 56.406 56.400 -0.624 0.000 0.849 569 E CB -0.046 29.137 29.700 -0.862 0.000 0.774 569 E HN 0.506 nan 8.360 nan 0.000 0.506 570 M N -0.004 119.384 119.600 -0.352 0.000 2.117 570 M HA -0.161 4.321 4.480 0.003 0.000 0.262 570 M C 1.985 178.102 176.300 -0.306 0.000 1.065 570 M CA 1.244 56.420 55.300 -0.207 0.000 1.114 570 M CB 0.047 32.558 32.600 -0.148 0.000 1.361 570 M HN 0.053 nan 8.290 nan 0.000 0.408 571 M N -0.532 118.877 119.600 -0.319 0.000 2.296 571 M HA -0.006 4.476 4.480 0.003 0.000 0.265 571 M C 0.533 176.495 176.300 -0.563 0.000 1.064 571 M CA 0.844 55.925 55.300 -0.366 0.000 1.109 571 M CB -1.162 31.297 32.600 -0.236 0.000 1.396 571 M HN 0.178 nan 8.290 nan 0.000 0.430 572 M N -0.106 119.223 119.600 -0.450 0.000 2.242 572 M HA 0.070 4.552 4.480 0.003 0.000 0.344 572 M C 0.009 176.015 176.300 -0.491 0.000 1.140 572 M CA 0.006 55.083 55.300 -0.372 0.000 1.160 572 M CB -0.454 31.986 32.600 -0.267 0.000 1.491 572 M HN 0.078 nan 8.290 nan 0.000 0.459 573 Y N 0.969 121.299 120.300 0.050 0.000 2.775 573 Y HA 0.174 4.726 4.550 0.003 0.000 0.349 573 Y C 0.432 176.421 175.900 0.148 0.000 1.094 573 Y CA 0.102 58.255 58.100 0.089 0.000 1.467 573 Y CB -1.121 37.352 38.460 0.021 0.000 1.272 573 Y HN 0.764 nan 8.280 nan 0.000 0.515 574 H N -2.013 116.999 119.070 -0.096 0.000 2.958 574 H HA -0.229 4.329 4.556 0.003 0.000 0.274 574 H C 0.337 175.643 175.328 -0.036 0.000 1.184 574 H CA 0.157 56.160 56.048 -0.075 0.000 1.143 574 H CB -1.467 28.256 29.762 -0.065 0.000 1.297 574 H HN 0.469 nan 8.280 nan 0.000 0.356 575 M N 1.099 120.736 119.600 0.062 0.000 2.212 575 M HA -0.196 4.286 4.480 0.003 0.000 0.504 575 M C 0.407 176.716 176.300 0.016 0.000 1.382 575 M CA 1.383 56.700 55.300 0.029 0.000 0.698 575 M CB 0.007 32.603 32.600 -0.006 0.000 1.973 575 M HN 0.102 nan 8.290 nan 0.000 0.551 576 K N 3.343 123.755 120.400 0.020 0.000 2.206 576 K HA 0.350 4.672 4.320 0.003 0.000 0.268 576 K C -0.827 175.778 176.600 0.008 0.000 1.111 576 K CA -0.139 56.159 56.287 0.018 0.000 0.955 576 K CB 0.493 33.005 32.500 0.020 0.000 1.406 576 K HN 0.388 nan 8.250 nan 0.000 0.427 577 V N 2.876 122.797 119.914 0.011 0.000 2.239 577 V HA 0.125 4.247 4.120 0.003 0.000 0.267 577 V C 0.171 176.304 176.094 0.066 0.000 1.056 577 V CA -0.825 61.491 62.300 0.025 0.000 0.830 577 V CB 0.477 32.303 31.823 0.005 0.000 1.090 577 V HN 0.763 nan 8.190 nan 0.000 0.459 578 S N 1.966 117.706 115.700 0.065 0.000 2.579 578 S HA 0.078 4.550 4.470 0.003 0.000 0.275 578 S C 0.920 175.608 174.600 0.146 0.000 1.345 578 S CA -0.010 58.236 58.200 0.076 0.000 1.031 578 S CB 0.945 64.165 63.200 0.033 0.000 0.892 578 S HN 0.657 nan 8.310 nan 0.000 0.529 579 D N 1.254 121.738 120.400 0.140 0.000 2.104 579 D HA -0.113 4.529 4.640 0.003 0.000 0.194 579 D C 1.424 177.621 176.300 -0.172 0.000 0.994 579 D CA 1.528 55.604 54.000 0.127 0.000 0.830 579 D CB -0.292 40.549 40.800 0.068 0.000 0.959 579 D HN 0.682 nan 8.370 nan 0.000 0.452 580 D N 0.285 120.621 120.400 -0.107 0.000 2.133 580 D HA -0.180 4.462 4.640 0.003 0.000 0.195 580 D C 1.872 178.089 176.300 -0.139 0.000 0.997 580 D CA 0.938 54.851 54.000 -0.145 0.000 0.840 580 D CB 0.024 40.774 40.800 -0.083 0.000 0.947 580 D HN 0.288 nan 8.370 nan 0.000 0.452 581 E N -0.600 119.570 120.200 -0.049 0.000 2.049 581 E HA -0.236 4.116 4.350 0.003 0.000 0.198 581 E C 2.210 178.820 176.600 0.017 0.000 1.007 581 E CA 1.585 57.981 56.400 -0.008 0.000 0.809 581 E CB -0.234 29.488 29.700 0.037 0.000 0.749 581 E HN 0.504 nan 8.360 nan 0.000 0.450 582 Y N 0.168 120.451 120.300 -0.029 0.000 2.263 582 Y HA -0.110 4.442 4.550 0.003 0.000 0.292 582 Y C 2.453 178.339 175.900 -0.023 0.000 1.130 582 Y CA 1.571 59.662 58.100 -0.016 0.000 1.179 582 Y CB -1.156 37.304 38.460 0.000 0.000 0.998 582 Y HN 0.023 nan 8.280 nan 0.000 0.532 583 T N -1.070 113.041 114.554 -0.738 0.000 2.788 583 T HA -0.163 4.189 4.350 0.003 0.000 0.268 583 T C 1.713 176.211 174.700 -0.337 0.000 1.044 583 T CA 1.604 63.358 62.100 -0.576 0.000 1.139 583 T CB -0.421 68.082 68.868 -0.608 0.000 0.867 583 T HN 0.408 nan 8.240 nan 0.000 0.454 584 K N 0.708 120.944 120.400 -0.274 0.000 2.032 584 K HA 0.012 4.334 4.320 0.003 0.000 0.209 584 K C 2.369 178.914 176.600 -0.092 0.000 1.048 584 K CA 1.345 57.505 56.287 -0.212 0.000 0.927 584 K CB -0.597 31.823 32.500 -0.133 0.000 0.712 584 K HN 0.344 nan 8.250 nan 0.000 0.441 585 L N 1.100 122.307 121.223 -0.027 0.000 2.027 585 L HA -0.074 4.268 4.340 0.003 0.000 0.206 585 L C 1.160 178.072 176.870 0.070 0.000 1.074 585 L CA 1.048 55.910 54.840 0.037 0.000 0.745 585 L CB -0.127 41.969 42.059 0.062 0.000 0.898 585 L HN 0.169 nan 8.230 nan 0.000 0.433 586 L N 1.220 122.488 121.223 0.075 0.000 2.437 586 L HA 0.006 4.348 4.340 0.003 0.000 0.243 586 L C -0.280 176.663 176.870 0.122 0.000 1.346 586 L CA -0.149 54.761 54.840 0.116 0.000 1.233 586 L CB -0.497 41.671 42.059 0.181 0.000 1.436 586 L HN 0.191 nan 8.230 nan 0.000 0.416 587 H N 1.189 120.272 119.070 0.021 0.000 2.588 587 H HA 0.102 4.660 4.556 0.003 0.000 0.223 587 H C 0.528 175.866 175.328 0.016 0.000 1.804 587 H CA -0.705 55.347 56.048 0.006 0.000 1.269 587 H CB -0.123 29.637 29.762 -0.003 0.000 1.670 587 H HN 0.480 nan 8.280 nan 0.000 0.539 588 D N 0.536 121.031 120.400 0.158 0.000 2.824 588 D HA -0.217 4.425 4.640 0.003 0.000 0.192 588 D C 0.882 177.210 176.300 0.047 0.000 1.117 588 D CA 2.016 56.061 54.000 0.075 0.000 1.001 588 D CB -0.670 40.148 40.800 0.030 0.000 1.055 588 D HN 0.660 nan 8.370 nan 0.000 0.390 589 G N -0.134 108.695 108.800 0.048 0.000 2.547 589 G HA2 0.500 4.462 3.960 0.003 0.000 0.327 589 G HA3 0.500 4.462 3.960 0.003 0.000 0.327 589 G C 0.730 175.660 174.900 0.049 0.000 1.118 589 G CA -0.532 44.587 45.100 0.033 0.000 1.022 589 G HN 0.255 nan 8.290 nan 0.000 0.464 590 I N 0.683 121.282 120.570 0.047 0.000 2.928 590 I HA 0.017 4.189 4.170 0.003 0.000 0.266 590 I C 1.102 177.238 176.117 0.031 0.000 1.234 590 I CA 0.636 61.968 61.300 0.054 0.000 1.483 590 I CB -0.032 38.003 38.000 0.058 0.000 1.097 590 I HN 0.791 nan 8.210 nan 0.000 0.455 591 Q N 0.948 120.757 119.800 0.015 0.000 3.166 591 Q HA -0.149 4.193 4.340 0.003 0.000 0.025 591 Q C -2.707 173.277 176.000 -0.026 0.000 1.692 591 Q CA -0.050 55.749 55.803 -0.007 0.000 0.233 591 Q CB -0.599 28.133 28.738 -0.010 0.000 1.400 591 Q HN 0.055 nan 8.270 nan 0.000 0.320 592 P HA 0.236 nan 4.420 nan 0.000 0.295 592 P C 0.364 177.585 177.300 -0.132 0.000 1.319 592 P CA -0.153 62.910 63.100 -0.061 0.000 0.940 592 P CB 1.654 33.331 31.700 -0.038 0.000 1.192 593 V N 1.215 121.029 119.914 -0.167 0.000 2.324 593 V HA -0.297 3.825 4.120 0.003 0.000 0.250 593 V C 2.620 178.535 176.094 -0.300 0.000 1.060 593 V CA 2.721 64.804 62.300 -0.362 0.000 1.042 593 V CB -2.284 29.398 31.823 -0.234 0.000 0.650 593 V HN 0.652 nan 8.190 nan 0.000 0.450 594 A N 0.563 123.312 122.820 -0.119 0.000 1.958 594 A HA -0.176 4.146 4.320 0.003 0.000 0.221 594 A C 2.295 179.844 177.584 -0.059 0.000 1.178 594 A CA 2.496 54.500 52.037 -0.055 0.000 0.642 594 A CB -0.824 18.165 19.000 -0.018 0.000 0.816 594 A HN 0.782 nan 8.150 nan 0.000 0.453 595 A N -0.962 121.812 122.820 -0.077 0.000 2.208 595 A HA 0.254 4.576 4.320 0.003 0.000 0.209 595 A C 1.848 179.394 177.584 -0.064 0.000 1.161 595 A CA 0.628 52.635 52.037 -0.050 0.000 0.782 595 A CB -0.366 18.611 19.000 -0.037 0.000 0.816 595 A HN 0.466 nan 8.150 nan 0.000 0.477 596 I N -0.504 119.973 120.570 -0.155 0.000 2.193 596 I HA -0.024 4.148 4.170 0.003 0.000 0.240 596 I C 0.637 176.762 176.117 0.013 0.000 1.084 596 I CA 1.359 62.563 61.300 -0.160 0.000 1.365 596 I CB -0.204 37.456 38.000 -0.566 0.000 1.064 596 I HN 0.407 nan 8.210 nan 0.000 0.410 597 D N -1.305 119.116 120.400 0.035 0.000 2.728 597 D HA 0.037 4.679 4.640 0.003 0.000 0.249 597 D C 0.373 176.755 176.300 0.138 0.000 1.225 597 D CA 0.136 54.227 54.000 0.151 0.000 0.748 597 D CB 1.376 42.360 40.800 0.306 0.000 1.326 597 D HN -0.020 nan 8.370 nan 0.000 0.426 598 S N 1.939 117.722 115.700 0.139 0.000 2.436 598 S HA -0.190 4.282 4.470 0.003 0.000 0.215 598 S C 1.440 176.126 174.600 0.143 0.000 1.047 598 S CA 1.002 59.274 58.200 0.120 0.000 1.086 598 S CB -0.702 62.565 63.200 0.111 0.000 1.072 598 S HN 0.695 nan 8.310 nan 0.000 0.411 599 N N 0.654 119.459 118.700 0.175 0.000 2.696 599 N HA -0.053 4.689 4.740 0.003 0.000 0.196 599 N C 0.989 176.559 175.510 0.099 0.000 1.220 599 N CA 0.032 53.198 53.050 0.194 0.000 0.940 599 N CB -0.308 38.344 38.487 0.275 0.000 0.999 599 N HN 0.444 nan 8.380 nan 0.000 0.447 600 F N 0.801 120.612 119.950 -0.230 0.000 2.346 600 F HA -0.169 4.360 4.527 0.003 0.000 0.301 600 F C 1.702 177.350 175.800 -0.253 0.000 1.070 600 F CA 1.257 58.846 58.000 -0.686 0.000 1.407 600 F CB 0.123 38.907 39.000 -0.360 0.000 1.072 600 F HN 0.051 nan 8.300 nan 0.000 0.543 601 A N -1.268 121.584 122.820 0.052 0.000 2.431 601 A HA 0.305 4.627 4.320 0.003 0.000 0.239 601 A C 0.879 178.422 177.584 -0.070 0.000 1.230 601 A CA 0.107 52.171 52.037 0.046 0.000 0.928 601 A CB -0.277 18.810 19.000 0.144 0.000 1.006 601 A HN 0.178 nan 8.150 nan 0.000 0.520 602 S N -0.903 114.807 115.700 0.017 0.000 2.554 602 S HA 0.485 4.957 4.470 0.003 0.000 0.278 602 S C 0.546 175.237 174.600 0.152 0.000 1.242 602 S CA -0.600 57.607 58.200 0.013 0.000 1.051 602 S CB -0.004 63.242 63.200 0.076 0.000 0.986 602 S HN 0.273 nan 8.310 nan 0.000 0.502 603 F N 2.525 122.530 119.950 0.091 0.000 2.354 603 F HA -0.109 4.420 4.527 0.003 0.000 0.300 603 F C 2.609 178.500 175.800 0.151 0.000 1.052 603 F CA 1.603 59.673 58.000 0.116 0.000 1.425 603 F CB -1.099 37.941 39.000 0.066 0.000 1.095 603 F HN 0.722 nan 8.300 nan 0.000 0.560 604 T N -4.326 110.421 114.554 0.321 0.000 3.086 604 T HA 0.017 4.369 4.350 0.003 0.000 0.250 604 T C 0.540 175.364 174.700 0.208 0.000 1.074 604 T CA -0.203 62.030 62.100 0.222 0.000 0.988 604 T CB -0.736 68.234 68.868 0.170 0.000 0.988 604 T HN 0.086 nan 8.240 nan 0.000 0.530 605 Y N 3.575 123.955 120.300 0.133 0.000 2.379 605 Y HA 0.387 4.939 4.550 0.003 0.000 0.337 605 Y C 0.486 176.392 175.900 0.009 0.000 1.238 605 Y CA -0.137 58.005 58.100 0.069 0.000 1.405 605 Y CB 0.902 39.404 38.460 0.070 0.000 1.310 605 Y HN 0.239 nan 8.280 nan 0.000 0.569 606 T N 4.816 118.937 114.554 -0.721 0.000 3.150 606 T HA 0.268 4.620 4.350 0.003 0.000 0.383 606 T C -2.085 172.296 174.700 -0.532 0.000 1.313 606 T CA -1.923 59.909 62.100 -0.447 0.000 1.235 606 T CB 1.124 69.802 68.868 -0.316 0.000 1.088 606 T HN 0.451 nan 8.240 nan 0.000 0.556 607 P HA -0.232 nan 4.420 nan 0.000 0.218 607 P C 1.339 178.717 177.300 0.131 0.000 1.152 607 P CA 1.166 64.228 63.100 -0.064 0.000 0.857 607 P CB 0.229 31.790 31.700 -0.232 0.000 0.787 608 R N -0.053 120.439 120.500 -0.014 0.000 2.285 608 R HA -0.040 4.302 4.340 0.003 0.000 0.213 608 R C 2.472 178.736 176.300 -0.060 0.000 1.068 608 R CA 1.161 57.251 56.100 -0.017 0.000 1.004 608 R CB -0.398 29.880 30.300 -0.037 0.000 0.873 608 R HN 0.285 nan 8.270 nan 0.000 0.467 609 S N -0.218 115.411 115.700 -0.118 0.000 2.453 609 S HA -0.025 4.447 4.470 0.003 0.000 0.231 609 S C 0.821 175.393 174.600 -0.047 0.000 1.005 609 S CA 0.151 58.277 58.200 -0.123 0.000 0.949 609 S CB 0.023 63.083 63.200 -0.233 0.000 0.774 609 S HN 0.011 nan 8.310 nan 0.000 0.510 610 L N 1.899 123.122 121.223 -0.001 0.000 2.475 610 L HA 0.426 4.768 4.340 0.003 0.000 0.250 610 L C -2.062 174.791 176.870 -0.027 0.000 1.224 610 L CA -1.673 53.184 54.840 0.028 0.000 0.821 610 L CB -0.500 41.585 42.059 0.043 0.000 1.141 610 L HN 0.080 nan 8.230 nan 0.000 0.494 611 P HA 0.099 nan 4.420 nan 0.000 0.274 611 P C -0.094 177.173 177.300 -0.055 0.000 1.237 611 P CA -0.356 62.731 63.100 -0.022 0.000 0.793 611 P CB 0.569 32.269 31.700 -0.001 0.000 0.977 612 E N 0.520 120.702 120.200 -0.031 0.000 2.385 612 E HA -0.095 4.257 4.350 0.003 0.000 0.194 612 E C 0.300 176.897 176.600 -0.006 0.000 1.013 612 E CA 0.665 57.057 56.400 -0.014 0.000 0.866 612 E CB 0.037 29.753 29.700 0.028 0.000 0.832 612 E HN 0.393 nan 8.360 nan 0.000 0.500 613 D N 0.153 120.546 120.400 -0.012 0.000 2.360 613 D HA -0.045 4.597 4.640 0.003 0.000 0.210 613 D C 0.241 176.539 176.300 -0.003 0.000 1.047 613 D CA 0.133 54.127 54.000 -0.010 0.000 0.854 613 D CB 0.290 41.086 40.800 -0.006 0.000 0.936 613 D HN 0.156 nan 8.370 nan 0.000 0.514 614 D N 0.898 121.292 120.400 -0.009 0.000 2.363 614 D HA -0.026 4.616 4.640 0.003 0.000 0.214 614 D C 2.066 178.365 176.300 -0.003 0.000 1.093 614 D CA 0.373 54.377 54.000 0.007 0.000 0.837 614 D CB 0.568 41.379 40.800 0.019 0.000 0.948 614 D HN 0.241 nan 8.370 nan 0.000 0.507 615 T N -1.759 112.766 114.554 -0.049 0.000 2.735 615 T HA -0.094 4.258 4.350 0.003 0.000 0.256 615 T C 2.091 176.890 174.700 0.165 0.000 1.042 615 T CA 0.974 63.007 62.100 -0.111 0.000 1.147 615 T CB -0.453 68.328 68.868 -0.146 0.000 0.865 615 T HN -0.056 nan 8.240 nan 0.000 0.421 616 S N 1.881 117.673 115.700 0.154 0.000 2.419 616 S HA -0.090 4.382 4.470 0.003 0.000 0.235 616 S C 1.936 176.652 174.600 0.193 0.000 1.019 616 S CA 1.359 59.665 58.200 0.176 0.000 0.982 616 S CB -0.646 62.569 63.200 0.024 0.000 0.789 616 S HN 0.327 nan 8.310 nan 0.000 0.490 617 M N 3.105 122.792 119.600 0.144 0.000 2.066 617 M HA 0.066 4.548 4.480 0.003 0.000 0.259 617 M C 2.277 178.682 176.300 0.175 0.000 1.074 617 M CA 1.692 57.071 55.300 0.130 0.000 1.114 617 M CB -1.606 31.045 32.600 0.085 0.000 1.306 617 M HN 0.257 nan 8.290 nan 0.000 0.411 618 A N 0.788 123.737 122.820 0.214 0.000 1.940 618 A HA -0.231 4.091 4.320 0.003 0.000 0.221 618 A C 2.158 179.957 177.584 0.359 0.000 1.190 618 A CA 2.235 54.447 52.037 0.293 0.000 0.647 618 A CB -1.327 17.998 19.000 0.542 0.000 0.821 618 A HN 0.650 nan 8.150 nan 0.000 0.457 619 I N -0.572 120.272 120.570 0.456 0.000 2.208 619 I HA -0.246 3.926 4.170 0.003 0.000 0.245 619 I C 2.487 178.822 176.117 0.363 0.000 1.097 619 I CA 1.367 62.967 61.300 0.500 0.000 1.363 619 I CB -1.179 37.152 38.000 0.551 0.000 1.051 619 I HN 0.344 nan 8.210 nan 0.000 0.413 620 L N 0.430 121.811 121.223 0.262 0.000 2.072 620 L HA -0.152 4.190 4.340 0.003 0.000 0.205 620 L C 2.511 179.457 176.870 0.128 0.000 1.079 620 L CA 1.319 56.273 54.840 0.190 0.000 0.752 620 L CB -0.488 41.664 42.059 0.156 0.000 0.906 620 L HN 0.215 nan 8.230 nan 0.000 0.436 621 S N -0.877 114.879 115.700 0.093 0.000 2.515 621 S HA 0.000 4.472 4.470 0.003 0.000 0.231 621 S C 1.829 176.427 174.600 -0.003 0.000 0.987 621 S CA 0.762 58.972 58.200 0.017 0.000 0.936 621 S CB -0.002 63.160 63.200 -0.062 0.000 0.766 621 S HN 0.331 nan 8.310 nan 0.000 0.528 622 M N 0.211 119.837 119.600 0.044 0.000 2.394 622 M HA 0.222 4.704 4.480 0.003 0.000 0.266 622 M C 1.633 177.924 176.300 -0.015 0.000 1.098 622 M CA 0.879 56.153 55.300 -0.044 0.000 1.149 622 M CB -0.406 32.225 32.600 0.053 0.000 1.369 622 M HN 0.309 nan 8.290 nan 0.000 0.450 623 L N 0.075 121.287 121.223 -0.019 0.000 2.249 623 L HA -0.128 4.214 4.340 0.003 0.000 0.207 623 L C 2.553 179.461 176.870 0.063 0.000 1.090 623 L CA 0.858 55.672 54.840 -0.044 0.000 0.802 623 L CB -0.477 41.604 42.059 0.036 0.000 0.947 623 L HN 0.312 nan 8.230 nan 0.000 0.453 624 Q N 0.796 120.632 119.800 0.059 0.000 1.985 624 Q HA -0.331 4.011 4.340 0.003 0.000 0.207 624 Q C 1.731 177.732 176.000 0.002 0.000 0.996 624 Q CA 2.590 58.418 55.803 0.041 0.000 0.851 624 Q CB -0.432 28.329 28.738 0.039 0.000 0.921 624 Q HN 0.444 nan 8.270 nan 0.000 0.418 625 D N -0.845 119.567 120.400 0.020 0.000 2.351 625 D HA -0.128 4.514 4.640 0.003 0.000 0.216 625 D C 1.268 177.551 176.300 -0.027 0.000 0.968 625 D CA 0.935 54.954 54.000 0.032 0.000 0.899 625 D CB 0.020 40.890 40.800 0.116 0.000 0.907 625 D HN 0.429 nan 8.370 nan 0.000 0.514 626 M N -0.248 119.274 119.600 -0.131 0.000 2.453 626 M HA 0.077 4.559 4.480 0.003 0.000 0.239 626 M C 0.134 176.080 176.300 -0.589 0.000 1.151 626 M CA -0.244 54.789 55.300 -0.446 0.000 0.989 626 M CB 0.041 32.355 32.600 -0.477 0.000 1.548 626 M HN -0.078 nan 8.290 nan 0.000 0.479 627 N N 0.742 119.255 118.700 -0.311 0.000 2.614 627 N HA -0.249 4.493 4.740 0.003 0.000 0.276 627 N C -0.631 174.600 175.510 -0.465 0.000 1.119 627 N CA 0.792 53.658 53.050 -0.307 0.000 0.742 627 N CB -1.247 37.064 38.487 -0.293 0.000 0.900 627 N HN 0.446 nan 8.380 nan 0.000 0.549 628 F N 0.498 120.386 119.950 -0.103 0.000 2.699 628 F HA 0.364 4.893 4.527 0.003 0.000 0.295 628 F C 1.964 177.742 175.800 -0.036 0.000 1.052 628 F CA -0.242 57.694 58.000 -0.106 0.000 1.239 628 F CB 0.013 38.915 39.000 -0.164 0.000 1.018 628 F HN 0.200 nan 8.300 nan 0.000 0.627 629 I N 1.388 122.059 120.570 0.167 0.000 2.127 629 I HA -0.351 3.822 4.170 0.003 0.000 0.241 629 I C 1.975 178.146 176.117 0.090 0.000 1.075 629 I CA 2.311 63.695 61.300 0.139 0.000 1.334 629 I CB -0.763 37.304 38.000 0.111 0.000 1.040 629 I HN 0.269 nan 8.210 nan 0.000 0.405 630 N N 0.519 119.230 118.700 0.019 0.000 2.173 630 N HA -0.156 4.586 4.740 0.003 0.000 0.184 630 N C 1.681 177.139 175.510 -0.086 0.000 1.025 630 N CA 0.918 53.954 53.050 -0.024 0.000 0.852 630 N CB -0.462 37.999 38.487 -0.043 0.000 0.998 630 N HN 0.179 nan 8.380 nan 0.000 0.427 631 N N 0.210 118.807 118.700 -0.172 0.000 2.247 631 N HA -0.170 4.572 4.740 0.003 0.000 0.189 631 N C 0.309 175.525 175.510 -0.491 0.000 1.009 631 N CA 1.308 54.137 53.050 -0.367 0.000 0.872 631 N CB -0.183 37.987 38.487 -0.528 0.000 0.980 631 N HN 0.516 nan 8.380 nan 0.000 0.436 632 Y N -1.231 119.043 120.300 -0.043 0.000 2.500 632 Y HA 0.292 4.844 4.550 0.003 0.000 0.246 632 Y C 0.012 175.956 175.900 0.072 0.000 1.146 632 Y CA -0.525 57.572 58.100 -0.005 0.000 1.230 632 Y CB 0.658 39.146 38.460 0.046 0.000 1.214 632 Y HN -0.256 nan 8.280 nan 0.000 0.526 633 K N 1.277 121.755 120.400 0.129 0.000 3.898 633 K HA -0.184 4.138 4.320 0.003 0.000 0.282 633 K C -1.177 175.542 176.600 0.198 0.000 1.014 633 K CA 0.242 56.569 56.287 0.067 0.000 0.848 633 K CB -1.567 30.870 32.500 -0.105 0.000 1.469 633 K HN 0.286 nan 8.250 nan 0.000 0.446 634 I N 1.589 122.297 120.570 0.231 0.000 2.337 634 I HA 0.031 4.203 4.170 0.003 0.000 0.291 634 I C 0.654 176.888 176.117 0.195 0.000 1.046 634 I CA -0.473 60.981 61.300 0.256 0.000 1.324 634 I CB 0.843 38.975 38.000 0.219 0.000 1.409 634 I HN 0.245 nan 8.210 nan 0.000 0.494 635 D N 5.079 125.607 120.400 0.212 0.000 2.450 635 D HA 0.016 4.658 4.640 0.003 0.000 0.247 635 D C 0.743 177.107 176.300 0.106 0.000 1.162 635 D CA 0.019 54.109 54.000 0.150 0.000 0.879 635 D CB 0.991 41.868 40.800 0.128 0.000 1.163 635 D HN 0.571 nan 8.370 nan 0.000 0.472 636 C N 4.990 124.354 119.300 0.107 0.000 2.476 636 C HA 0.006 4.468 4.460 0.003 0.000 0.278 636 C C -0.438 174.606 174.990 0.091 0.000 1.274 636 C CA 0.151 59.234 59.018 0.109 0.000 1.713 636 C CB -1.211 26.602 27.740 0.122 0.000 2.039 636 C HN 0.706 nan 8.230 nan 0.000 0.484 637 P HA -0.126 nan 4.420 nan 0.000 0.218 637 P C 1.461 178.632 177.300 -0.215 0.000 1.146 637 P CA 1.928 65.017 63.100 -0.018 0.000 0.820 637 P CB -0.259 31.466 31.700 0.042 0.000 0.778 638 T N -0.937 113.569 114.554 -0.081 0.000 2.852 638 T HA -0.027 4.325 4.350 0.003 0.000 0.256 638 T C 1.635 176.321 174.700 -0.023 0.000 1.038 638 T CA 0.563 62.616 62.100 -0.079 0.000 1.141 638 T CB -0.736 68.100 68.868 -0.053 0.000 0.869 638 T HN 0.000 nan 8.240 nan 0.000 0.439 639 L N 1.782 123.016 121.223 0.019 0.000 2.017 639 L HA 0.127 4.469 4.340 0.003 0.000 0.208 639 L C 2.467 179.424 176.870 0.144 0.000 1.073 639 L CA 2.133 57.015 54.840 0.070 0.000 0.745 639 L CB -0.912 41.201 42.059 0.091 0.000 0.894 639 L HN 0.186 nan 8.230 nan 0.000 0.432 640 A N -0.750 122.137 122.820 0.112 0.000 2.067 640 A HA -0.155 4.167 4.320 0.003 0.000 0.219 640 A C 2.445 180.078 177.584 0.083 0.000 1.158 640 A CA 1.498 53.612 52.037 0.129 0.000 0.661 640 A CB -0.566 18.536 19.000 0.169 0.000 0.801 640 A HN 0.540 nan 8.150 nan 0.000 0.452 641 R N -2.214 118.291 120.500 0.008 0.000 2.100 641 R HA 0.045 4.387 4.340 0.003 0.000 0.220 641 R C 1.875 178.188 176.300 0.023 0.000 1.091 641 R CA 1.090 57.164 56.100 -0.043 0.000 0.986 641 R CB -0.324 29.875 30.300 -0.168 0.000 0.888 641 R HN 0.580 nan 8.270 nan 0.000 0.444 642 F N 0.917 120.816 119.950 -0.084 0.000 2.026 642 F HA -0.335 4.194 4.527 0.003 0.000 0.296 642 F C 2.171 177.942 175.800 -0.049 0.000 1.133 642 F CA 1.616 59.568 58.000 -0.079 0.000 1.188 642 F CB -0.607 38.336 39.000 -0.095 0.000 0.968 642 F HN -0.007 nan 8.300 nan 0.000 0.476 643 C N 0.411 119.809 119.300 0.163 0.000 2.391 643 C HA -0.209 4.253 4.460 0.003 0.000 0.276 643 C C 2.675 177.554 174.990 -0.184 0.000 1.217 643 C CA 0.913 59.947 59.018 0.026 0.000 1.766 643 C CB -1.562 26.279 27.740 0.169 0.000 2.046 643 C HN 0.531 nan 8.230 nan 0.000 0.475 644 L N -0.749 120.399 121.223 -0.125 0.000 2.179 644 L HA 0.004 4.346 4.340 0.003 0.000 0.208 644 L C 2.389 179.141 176.870 -0.197 0.000 1.096 644 L CA 1.520 56.262 54.840 -0.163 0.000 0.779 644 L CB -0.817 41.205 42.059 -0.062 0.000 0.922 644 L HN 0.262 nan 8.230 nan 0.000 0.443 645 M N -1.378 118.106 119.600 -0.193 0.000 2.156 645 M HA -0.095 4.387 4.480 0.003 0.000 0.264 645 M C 2.223 178.370 176.300 -0.255 0.000 1.067 645 M CA 1.333 56.516 55.300 -0.196 0.000 1.131 645 M CB -0.241 32.244 32.600 -0.192 0.000 1.368 645 M HN 0.096 nan 8.290 nan 0.000 0.416 646 V N -0.435 119.252 119.914 -0.379 0.000 2.515 646 V HA -0.227 3.895 4.120 0.003 0.000 0.250 646 V C 2.111 178.128 176.094 -0.128 0.000 1.058 646 V CA 2.264 64.388 62.300 -0.293 0.000 1.064 646 V CB -0.616 30.976 31.823 -0.384 0.000 0.675 646 V HN 0.637 nan 8.190 nan 0.000 0.461 647 K N 0.775 120.923 120.400 -0.420 0.000 2.031 647 K HA -0.180 4.142 4.320 0.003 0.000 0.205 647 K C 2.325 178.803 176.600 -0.203 0.000 1.049 647 K CA 1.901 57.803 56.287 -0.642 0.000 0.939 647 K CB -0.409 31.457 32.500 -1.056 0.000 0.717 647 K HN 0.534 nan 8.250 nan 0.000 0.438 648 K N -0.402 119.892 120.400 -0.177 0.000 2.515 648 K HA -0.051 4.271 4.320 0.003 0.000 0.196 648 K C 1.440 178.023 176.600 -0.030 0.000 1.038 648 K CA 1.194 57.432 56.287 -0.082 0.000 0.967 648 K CB -0.054 32.400 32.500 -0.077 0.000 0.780 648 K HN 0.336 nan 8.250 nan 0.000 0.483 649 G N -0.265 108.508 108.800 -0.044 0.000 2.777 649 G HA2 -0.045 3.917 3.960 0.003 0.000 0.211 649 G HA3 -0.045 3.917 3.960 0.003 0.000 0.211 649 G C -0.226 174.568 174.900 -0.175 0.000 1.149 649 G CA -0.141 44.904 45.100 -0.091 0.000 0.785 649 G HN 0.136 nan 8.290 nan 0.000 0.536 650 Y N 0.640 120.956 120.300 0.026 0.000 2.301 650 Y HA 0.497 5.049 4.550 0.003 0.000 0.325 650 Y C 1.417 177.343 175.900 0.044 0.000 1.203 650 Y CA -0.486 57.662 58.100 0.079 0.000 1.255 650 Y CB 1.041 39.621 38.460 0.200 0.000 1.232 650 Y HN -0.062 nan 8.280 nan 0.000 0.501 651 R N 0.335 120.918 120.500 0.139 0.000 2.417 651 R HA 0.236 4.578 4.340 0.003 0.000 0.189 651 R C -0.659 175.705 176.300 0.106 0.000 1.249 651 R CA -0.562 55.582 56.100 0.072 0.000 1.171 651 R CB 0.120 30.426 30.300 0.009 0.000 2.071 651 R HN 0.549 nan 8.270 nan 0.000 0.537 652 D N 0.827 121.268 120.400 0.067 0.000 2.945 652 D HA 0.265 4.907 4.640 0.003 0.000 0.369 652 D C -2.348 173.978 176.300 0.044 0.000 1.294 652 D CA -1.328 52.707 54.000 0.059 0.000 0.778 652 D CB 0.420 41.245 40.800 0.040 0.000 1.188 652 D HN 0.132 nan 8.370 nan 0.000 0.479 653 P HA 0.324 nan 4.420 nan 0.000 0.282 653 P C -2.023 175.280 177.300 0.005 0.000 1.287 653 P CA -1.197 61.920 63.100 0.029 0.000 0.792 653 P CB 0.724 32.448 31.700 0.039 0.000 1.163 654 P HA -0.176 nan 4.420 nan 0.000 0.214 654 P C 1.414 178.707 177.300 -0.012 0.000 1.163 654 P CA 1.687 64.781 63.100 -0.010 0.000 0.889 654 P CB -0.257 31.431 31.700 -0.020 0.000 0.790 655 Y N -1.474 118.663 120.300 -0.272 0.000 2.353 655 Y HA 0.082 4.634 4.550 0.003 0.000 0.294 655 Y C 1.307 176.868 175.900 -0.565 0.000 1.135 655 Y CA 0.687 58.502 58.100 -0.476 0.000 1.176 655 Y CB -0.794 37.227 38.460 -0.732 0.000 1.124 655 Y HN -0.001 nan 8.280 nan 0.000 0.537 656 H N 2.512 121.252 119.070 -0.551 0.000 2.970 656 H HA 0.175 4.733 4.556 0.003 0.000 0.226 656 H C -0.618 174.562 175.328 -0.247 0.000 1.909 656 H CA 0.111 55.761 56.048 -0.662 0.000 1.388 656 H CB -1.209 27.973 29.762 -0.967 0.000 1.773 656 H HN 0.428 nan 8.280 nan 0.000 0.559 657 N N -0.354 118.285 118.700 -0.101 0.000 2.469 657 N HA -0.070 4.672 4.740 0.003 0.000 0.286 657 N C 1.143 176.621 175.510 -0.052 0.000 1.275 657 N CA -0.974 52.116 53.050 0.067 0.000 0.790 657 N CB 0.669 39.185 38.487 0.048 0.000 1.446 657 N HN 0.322 nan 8.380 nan 0.000 0.501 658 W N 0.748 121.930 121.300 -0.196 0.000 2.313 658 W HA -0.243 4.419 4.660 0.003 0.000 0.293 658 W C 0.879 177.211 176.519 -0.313 0.000 1.216 658 W CA 1.354 58.367 57.345 -0.553 0.000 1.223 658 W CB 0.011 29.338 29.460 -0.222 0.000 1.138 658 W HN 0.531 nan 8.180 nan 0.000 0.535 659 M N 0.403 119.830 119.600 -0.289 0.000 2.296 659 M HA -0.179 4.303 4.480 0.003 0.000 0.265 659 M C 2.052 178.165 176.300 -0.313 0.000 1.064 659 M CA 2.270 57.379 55.300 -0.318 0.000 1.109 659 M CB -1.084 31.470 32.600 -0.077 0.000 1.396 659 M HN 0.208 nan 8.290 nan 0.000 0.430 660 H N -0.736 118.082 119.070 -0.420 0.000 2.403 660 H HA 0.205 4.763 4.556 0.003 0.000 0.298 660 H C 1.760 176.824 175.328 -0.440 0.000 1.059 660 H CA 1.781 57.594 56.048 -0.391 0.000 1.363 660 H CB -0.113 29.308 29.762 -0.568 0.000 1.410 660 H HN 0.290 nan 8.280 nan 0.000 0.528 661 A N 0.367 122.691 122.820 -0.826 0.000 1.933 661 A HA -0.111 4.211 4.320 0.003 0.000 0.218 661 A C 2.343 179.373 177.584 -0.924 0.000 1.175 661 A CA 1.382 52.873 52.037 -0.909 0.000 0.628 661 A CB -1.246 17.062 19.000 -1.153 0.000 0.814 661 A HN 0.611 nan 8.150 nan 0.000 0.444 662 F N 2.012 121.135 119.950 -1.378 0.000 2.060 662 F HA -0.174 4.355 4.527 0.003 0.000 0.295 662 F C 2.469 178.014 175.800 -0.425 0.000 1.120 662 F CA 2.165 59.611 58.000 -0.923 0.000 1.205 662 F CB -0.523 37.962 39.000 -0.859 0.000 0.986 662 F HN 0.223 nan 8.300 nan 0.000 0.470 663 S N 0.023 115.492 115.700 -0.386 0.000 2.462 663 S HA -0.164 4.308 4.470 0.003 0.000 0.243 663 S C 1.950 176.386 174.600 -0.273 0.000 1.003 663 S CA 1.156 59.153 58.200 -0.337 0.000 0.970 663 S CB -0.905 62.231 63.200 -0.106 0.000 0.762 663 S HN 0.315 nan 8.310 nan 0.000 0.510 664 V N 1.574 121.268 119.914 -0.367 0.000 2.535 664 V HA -0.058 4.064 4.120 0.003 0.000 0.246 664 V C 2.434 178.406 176.094 -0.203 0.000 1.045 664 V CA 1.686 63.816 62.300 -0.284 0.000 1.058 664 V CB -0.592 30.990 31.823 -0.400 0.000 0.689 664 V HN 0.495 nan 8.190 nan 0.000 0.461 665 S N -0.582 114.908 115.700 -0.350 0.000 2.371 665 S HA -0.213 4.259 4.470 0.003 0.000 0.224 665 S C 1.978 176.457 174.600 -0.201 0.000 1.029 665 S CA 1.320 59.264 58.200 -0.427 0.000 0.978 665 S CB -0.506 62.267 63.200 -0.711 0.000 0.833 665 S HN 0.742 nan 8.310 nan 0.000 0.466 666 H N 0.640 119.479 119.070 -0.385 0.000 2.421 666 H HA -0.064 4.494 4.556 0.003 0.000 0.298 666 H C 1.924 177.313 175.328 0.102 0.000 1.087 666 H CA 1.315 57.217 56.048 -0.244 0.000 1.330 666 H CB -0.450 28.937 29.762 -0.626 0.000 1.388 666 H HN 0.398 nan 8.280 nan 0.000 0.526 667 F N 1.137 121.133 119.950 0.076 0.000 2.102 667 F HA -0.191 4.338 4.527 0.003 0.000 0.298 667 F C 3.108 178.960 175.800 0.087 0.000 1.105 667 F CA 1.546 59.617 58.000 0.119 0.000 1.239 667 F CB -1.205 37.844 39.000 0.081 0.000 0.991 667 F HN 0.359 nan 8.300 nan 0.000 0.474 668 C N 0.108 119.545 119.300 0.227 0.000 2.367 668 C HA -0.322 4.140 4.460 0.003 0.000 0.276 668 C C 2.779 177.877 174.990 0.180 0.000 1.195 668 C CA 1.794 60.912 59.018 0.167 0.000 1.756 668 C CB -1.821 26.038 27.740 0.198 0.000 2.046 668 C HN 0.651 nan 8.230 nan 0.000 0.453 669 Y N 1.584 121.980 120.300 0.159 0.000 2.096 669 Y HA -0.226 4.326 4.550 0.003 0.000 0.278 669 Y C 2.180 178.048 175.900 -0.054 0.000 1.192 669 Y CA 2.421 60.580 58.100 0.097 0.000 1.143 669 Y CB -0.652 37.836 38.460 0.048 0.000 0.963 669 Y HN 0.416 nan 8.280 nan 0.000 0.505 670 L N -0.523 120.517 121.223 -0.305 0.000 1.970 670 L HA -0.292 4.050 4.340 0.003 0.000 0.212 670 L C 2.626 179.192 176.870 -0.506 0.000 1.071 670 L CA 1.860 56.393 54.840 -0.512 0.000 0.751 670 L CB -1.033 40.792 42.059 -0.390 0.000 0.889 670 L HN 0.346 nan 8.230 nan 0.000 0.432 671 L N -1.209 119.776 121.223 -0.397 0.000 2.051 671 L HA -0.339 4.003 4.340 0.003 0.000 0.214 671 L C 2.642 179.358 176.870 -0.255 0.000 1.076 671 L CA 1.779 56.430 54.840 -0.314 0.000 0.758 671 L CB -0.818 41.062 42.059 -0.298 0.000 0.890 671 L HN 0.279 nan 8.230 nan 0.000 0.433 672 Y N 1.162 121.295 120.300 -0.278 0.000 2.006 672 Y HA -0.344 4.208 4.550 0.003 0.000 0.266 672 Y C 2.682 178.430 175.900 -0.254 0.000 1.133 672 Y CA 1.809 59.788 58.100 -0.201 0.000 1.098 672 Y CB -0.218 38.161 38.460 -0.136 0.000 0.969 672 Y HN -0.019 nan 8.280 nan 0.000 0.482 673 K N 0.783 121.011 120.400 -0.287 0.000 1.975 673 K HA -0.257 4.065 4.320 0.003 0.000 0.225 673 K C 1.729 178.114 176.600 -0.358 0.000 1.050 673 K CA 1.991 58.064 56.287 -0.357 0.000 0.992 673 K CB -1.392 30.882 32.500 -0.376 0.000 0.738 673 K HN 0.563 nan 8.250 nan 0.000 0.446 674 N N 1.355 119.802 118.700 -0.420 0.000 2.037 674 N HA -0.186 4.556 4.740 0.003 0.000 0.196 674 N C 1.827 177.207 175.510 -0.217 0.000 1.034 674 N CA 1.467 54.282 53.050 -0.392 0.000 0.861 674 N CB -0.383 37.632 38.487 -0.787 0.000 1.039 674 N HN 0.228 nan 8.380 nan 0.000 0.427 675 L N 1.190 122.284 121.223 -0.215 0.000 2.612 675 L HA 0.143 4.485 4.340 0.003 0.000 0.230 675 L C -0.259 176.557 176.870 -0.089 0.000 1.140 675 L CA 0.121 54.884 54.840 -0.128 0.000 0.896 675 L CB -0.689 41.185 42.059 -0.307 0.000 1.065 675 L HN 0.156 nan 8.230 nan 0.000 0.447 676 E N 0.590 120.682 120.200 -0.180 0.000 2.246 676 E HA -0.229 4.123 4.350 0.003 0.000 0.173 676 E C 0.812 177.388 176.600 -0.040 0.000 1.532 676 E CA -0.087 56.202 56.400 -0.184 0.000 0.672 676 E CB -1.275 28.399 29.700 -0.043 0.000 1.078 676 E HN 0.460 nan 8.360 nan 0.000 0.338 677 L N 0.193 121.310 121.223 -0.175 0.000 2.362 677 L HA -0.140 4.202 4.340 0.003 0.000 0.219 677 L C 2.525 179.512 176.870 0.195 0.000 1.134 677 L CA 1.812 56.684 54.840 0.054 0.000 0.807 677 L CB -0.462 41.599 42.059 0.003 0.000 0.927 677 L HN 0.410 nan 8.230 nan 0.000 0.447 678 T N -1.966 112.606 114.554 0.030 0.000 2.869 678 T HA -0.167 4.186 4.350 0.003 0.000 0.270 678 T C 1.593 176.355 174.700 0.104 0.000 1.082 678 T CA 1.386 63.531 62.100 0.075 0.000 1.123 678 T CB -0.390 68.466 68.868 -0.021 0.000 0.856 678 T HN 0.336 nan 8.240 nan 0.000 0.499 679 N N 0.576 119.358 118.700 0.136 0.000 2.354 679 N HA 0.034 4.777 4.740 0.003 0.000 0.179 679 N C 1.188 176.624 175.510 -0.123 0.000 1.021 679 N CA 0.887 53.909 53.050 -0.047 0.000 0.887 679 N CB -0.232 38.118 38.487 -0.227 0.000 0.974 679 N HN 0.549 nan 8.380 nan 0.000 0.437 680 Y N 0.292 120.695 120.300 0.172 0.000 2.441 680 Y HA 0.340 4.892 4.550 0.003 0.000 0.288 680 Y C 0.766 176.751 175.900 0.141 0.000 1.118 680 Y CA -0.158 58.117 58.100 0.292 0.000 1.215 680 Y CB 0.011 38.670 38.460 0.332 0.000 1.118 680 Y HN -0.156 nan 8.280 nan 0.000 0.547 681 L N -0.670 120.686 121.223 0.222 0.000 2.333 681 L HA 0.523 4.865 4.340 0.003 0.000 0.263 681 L C -0.369 176.603 176.870 0.171 0.000 1.014 681 L CA -1.377 53.484 54.840 0.034 0.000 0.820 681 L CB 1.684 43.742 42.059 -0.002 0.000 1.352 681 L HN -0.102 nan 8.230 nan 0.000 0.421 682 E N -0.146 120.184 120.200 0.217 0.000 2.409 682 E HA 0.003 4.355 4.350 0.003 0.000 0.257 682 E C -0.476 176.287 176.600 0.271 0.000 1.150 682 E CA -0.411 56.130 56.400 0.236 0.000 0.942 682 E CB 0.823 30.668 29.700 0.242 0.000 0.979 682 E HN 0.580 nan 8.360 nan 0.000 0.447 683 D N 0.683 121.253 120.400 0.285 0.000 2.117 683 D HA -0.138 4.504 4.640 0.003 0.000 0.197 683 D C 1.503 178.141 176.300 0.563 0.000 0.987 683 D CA 0.748 55.003 54.000 0.425 0.000 0.829 683 D CB 0.038 41.021 40.800 0.306 0.000 0.961 683 D HN 0.413 nan 8.370 nan 0.000 0.460 684 I N 0.631 121.470 120.570 0.448 0.000 2.700 684 I HA -0.239 3.933 4.170 0.003 0.000 0.261 684 I C 1.430 177.714 176.117 0.278 0.000 1.219 684 I CA 1.277 62.799 61.300 0.370 0.000 1.463 684 I CB 0.023 38.169 38.000 0.243 0.000 1.092 684 I HN 0.123 nan 8.210 nan 0.000 0.452 685 E N 0.685 121.047 120.200 0.269 0.000 2.030 685 E HA -0.131 4.221 4.350 0.003 0.000 0.189 685 E C 2.065 178.792 176.600 0.211 0.000 0.974 685 E CA 1.012 57.531 56.400 0.199 0.000 0.807 685 E CB -0.057 29.752 29.700 0.181 0.000 0.771 685 E HN 0.410 nan 8.360 nan 0.000 0.451 686 I N 0.908 121.660 120.570 0.303 0.000 2.623 686 I HA -0.270 3.903 4.170 0.003 0.000 0.261 686 I C 2.041 178.296 176.117 0.229 0.000 1.204 686 I CA 1.059 62.567 61.300 0.347 0.000 1.444 686 I CB -0.261 38.070 38.000 0.552 0.000 1.094 686 I HN 0.119 nan 8.210 nan 0.000 0.451 687 F N 1.213 121.075 119.950 -0.146 0.000 2.094 687 F HA -0.116 4.413 4.527 0.003 0.000 0.291 687 F C 2.646 178.358 175.800 -0.147 0.000 1.109 687 F CA 1.028 58.702 58.000 -0.543 0.000 1.221 687 F CB -0.052 38.614 39.000 -0.556 0.000 1.014 687 F HN -0.001 nan 8.300 nan 0.000 0.473 688 A N 0.630 123.358 122.820 -0.153 0.000 1.908 688 A HA -0.247 4.075 4.320 0.003 0.000 0.218 688 A C 1.996 179.557 177.584 -0.038 0.000 1.181 688 A CA 1.828 53.756 52.037 -0.182 0.000 0.627 688 A CB -1.265 17.666 19.000 -0.116 0.000 0.818 688 A HN 0.568 nan 8.150 nan 0.000 0.445 689 L N -1.709 119.540 121.223 0.043 0.000 2.012 689 L HA -0.137 4.205 4.340 0.003 0.000 0.210 689 L C 2.249 179.187 176.870 0.113 0.000 1.073 689 L CA 2.472 57.356 54.840 0.074 0.000 0.748 689 L CB -0.522 41.602 42.059 0.109 0.000 0.891 689 L HN 0.440 nan 8.230 nan 0.000 0.431 690 F N -0.611 119.329 119.950 -0.017 0.000 2.163 690 F HA -0.162 4.367 4.527 0.003 0.000 0.297 690 F C 2.185 177.991 175.800 0.010 0.000 1.094 690 F CA 1.227 59.236 58.000 0.014 0.000 1.290 690 F CB 0.014 39.039 39.000 0.042 0.000 1.017 690 F HN 0.004 nan 8.300 nan 0.000 0.483 691 I N -0.053 120.618 120.570 0.169 0.000 2.361 691 I HA -0.262 3.910 4.170 0.003 0.000 0.251 691 I C 2.386 178.580 176.117 0.128 0.000 1.133 691 I CA 1.252 62.622 61.300 0.117 0.000 1.413 691 I CB -1.634 36.307 38.000 -0.099 0.000 1.073 691 I HN 0.149 nan 8.210 nan 0.000 0.424 692 S N 0.413 116.159 115.700 0.076 0.000 2.368 692 S HA -0.164 4.308 4.470 0.003 0.000 0.224 692 S C 2.250 176.917 174.600 0.112 0.000 1.029 692 S CA 1.431 59.691 58.200 0.101 0.000 0.988 692 S CB -0.437 62.794 63.200 0.052 0.000 0.838 692 S HN 0.480 nan 8.310 nan 0.000 0.462 693 C N 1.742 121.035 119.300 -0.012 0.000 2.413 693 C HA -0.041 4.421 4.460 0.003 0.000 0.277 693 C C 2.649 177.691 174.990 0.087 0.000 1.265 693 C CA 0.670 59.641 59.018 -0.078 0.000 1.752 693 C CB -1.312 26.279 27.740 -0.248 0.000 1.998 693 C HN 0.561 nan 8.230 nan 0.000 0.489 694 M N -0.064 119.536 119.600 0.001 0.000 2.213 694 M HA -0.156 4.326 4.480 0.003 0.000 0.263 694 M C 1.892 178.393 176.300 0.336 0.000 1.062 694 M CA 1.658 57.033 55.300 0.125 0.000 1.105 694 M CB -0.387 32.336 32.600 0.204 0.000 1.385 694 M HN 0.570 nan 8.290 nan 0.000 0.417 695 C N -1.565 117.917 119.300 0.304 0.000 2.935 695 C HA 0.094 4.556 4.460 0.003 0.000 0.308 695 C C 2.373 177.469 174.990 0.176 0.000 1.263 695 C CA -0.162 59.012 59.018 0.260 0.000 1.738 695 C CB -1.439 26.411 27.740 0.184 0.000 2.237 695 C HN 0.597 nan 8.230 nan 0.000 0.600 696 H N 1.288 120.429 119.070 0.118 0.000 2.478 696 H HA -0.186 4.372 4.556 0.003 0.000 0.294 696 H C -0.081 175.161 175.328 -0.143 0.000 1.125 696 H CA 2.015 58.108 56.048 0.075 0.000 1.225 696 H CB -0.537 29.270 29.762 0.076 0.000 1.360 696 H HN 0.354 nan 8.280 nan 0.000 0.519 697 D N 0.595 120.589 120.400 -0.676 0.000 2.670 697 D HA 0.257 4.899 4.640 0.003 0.000 0.255 697 D C 0.306 176.172 176.300 -0.723 0.000 1.286 697 D CA -0.388 53.056 54.000 -0.926 0.000 0.830 697 D CB 0.091 40.749 40.800 -0.236 0.000 1.065 697 D HN 0.236 nan 8.370 nan 0.000 0.486 698 L N 0.682 121.518 121.223 -0.645 0.000 2.506 698 L HA -0.044 4.298 4.340 0.003 0.000 0.281 698 L C 1.079 177.829 176.870 -0.200 0.000 1.228 698 L CA 0.462 54.912 54.840 -0.650 0.000 0.850 698 L CB 0.294 42.122 42.059 -0.385 0.000 1.110 698 L HN 0.062 nan 8.230 nan 0.000 0.496 699 D N 0.273 120.516 120.400 -0.262 0.000 2.882 699 D HA -0.280 4.362 4.640 0.003 0.000 0.229 699 D C 0.185 176.535 176.300 0.084 0.000 1.167 699 D CA 1.008 54.981 54.000 -0.045 0.000 0.759 699 D CB -1.022 39.826 40.800 0.080 0.000 1.088 699 D HN 0.638 nan 8.370 nan 0.000 0.425 700 H N -0.711 118.362 119.070 0.006 0.000 2.690 700 H HA 0.387 4.945 4.556 0.003 0.000 0.365 700 H C 1.483 176.814 175.328 0.006 0.000 1.142 700 H CA 0.161 56.245 56.048 0.059 0.000 1.417 700 H CB 0.640 30.402 29.762 0.000 0.000 1.446 700 H HN 0.061 nan 8.280 nan 0.000 0.599 701 R N 1.779 122.451 120.500 0.287 0.000 2.531 701 R HA 0.243 4.585 4.340 0.003 0.000 0.316 701 R C -0.416 176.000 176.300 0.193 0.000 0.955 701 R CA 0.305 56.495 56.100 0.150 0.000 1.120 701 R CB 1.398 31.711 30.300 0.021 0.000 1.361 701 R HN 0.876 nan 8.270 nan 0.000 0.534 702 G N 1.082 110.120 108.800 0.396 0.000 2.911 702 G HA2 -0.165 3.797 3.960 0.003 0.000 0.686 702 G HA3 -0.165 3.797 3.960 0.003 0.000 0.686 702 G C -0.444 174.592 174.900 0.228 0.000 1.136 702 G CA -0.827 44.412 45.100 0.232 0.000 0.764 702 G HN 0.016 nan 8.290 nan 0.000 0.626 703 T N 2.059 116.760 114.554 0.244 0.000 2.949 703 T HA 0.904 5.256 4.350 0.003 0.000 0.287 703 T C 0.291 175.104 174.700 0.188 0.000 1.034 703 T CA -0.330 61.888 62.100 0.197 0.000 1.018 703 T CB 2.018 71.014 68.868 0.213 0.000 1.135 703 T HN 1.454 nan 8.240 nan 0.000 0.532 713 S N -0.625 115.102 115.700 0.046 0.000 2.685 713 S HA 0.675 5.147 4.470 0.003 0.000 0.282 713 S C -0.538 174.175 174.600 0.189 0.000 1.159 713 S CA -0.834 57.437 58.200 0.119 0.000 0.833 713 S CB 2.806 66.079 63.200 0.123 0.000 1.151 713 S HN -0.037 nan 8.310 nan 0.000 0.485 714 V N 1.563 121.617 119.914 0.234 0.000 2.656 714 V HA 0.368 4.490 4.120 0.003 0.000 0.307 714 V C 0.570 176.706 176.094 0.069 0.000 1.051 714 V CA -0.633 61.753 62.300 0.144 0.000 0.893 714 V CB 1.716 33.584 31.823 0.076 0.000 0.999 714 V HN 0.834 nan 8.190 nan 0.000 0.426 715 L N 4.488 125.590 121.223 -0.203 0.000 2.141 715 L HA 0.097 4.439 4.340 0.003 0.000 0.209 715 L C 2.036 178.529 176.870 -0.630 0.000 1.094 715 L CA 2.241 56.616 54.840 -0.775 0.000 0.763 715 L CB -0.275 41.214 42.059 -0.950 0.000 0.908 715 L HN 0.816 nan 8.230 nan 0.000 0.437 716 A N -1.235 121.426 122.820 -0.265 0.000 2.324 716 A HA 0.473 4.795 4.320 0.003 0.000 0.240 716 A C 1.633 179.216 177.584 -0.002 0.000 1.347 716 A CA 0.719 52.726 52.037 -0.051 0.000 1.036 716 A CB -0.952 18.143 19.000 0.158 0.000 0.917 716 A HN 0.453 nan 8.150 nan 0.000 0.519 717 A N -1.441 121.351 122.820 -0.047 0.000 2.358 717 A HA 0.479 4.801 4.320 0.003 0.000 0.223 717 A C 1.293 178.928 177.584 0.086 0.000 1.218 717 A CA 0.609 52.688 52.037 0.071 0.000 0.942 717 A CB -0.057 19.038 19.000 0.159 0.000 1.005 717 A HN 0.624 nan 8.150 nan 0.000 0.514 718 L N -2.187 119.000 121.223 -0.060 0.000 2.985 718 L HA 0.406 4.748 4.340 0.003 0.000 0.177 718 L C 1.030 177.965 176.870 0.109 0.000 1.387 718 L CA 0.197 55.035 54.840 -0.004 0.000 0.982 718 L CB -0.451 41.424 42.059 -0.307 0.000 1.376 718 L HN 0.300 nan 8.230 nan 0.000 0.603 719 Y N 1.866 122.069 120.300 -0.161 0.000 3.116 719 Y HA -0.029 4.523 4.550 0.003 0.000 0.347 719 Y C 0.617 176.526 175.900 0.015 0.000 1.039 719 Y CA 0.102 58.166 58.100 -0.059 0.000 2.052 719 Y CB -0.349 37.932 38.460 -0.299 0.000 2.234 719 Y HN 0.622 nan 8.280 nan 0.000 0.398 720 S N -1.493 114.364 115.700 0.261 0.000 6.262 720 S HA 0.049 4.521 4.470 0.003 0.000 0.149 720 S C -0.080 174.621 174.600 0.168 0.000 1.426 720 S CA -0.169 58.140 58.200 0.182 0.000 0.943 720 S CB 0.176 63.449 63.200 0.121 0.000 1.595 720 S HN 0.266 nan 8.310 nan 0.000 0.527 721 S N 0.414 116.193 115.700 0.132 0.000 2.758 721 S HA 0.860 5.332 4.470 0.003 0.000 0.292 721 S C 0.091 174.744 174.600 0.089 0.000 1.131 721 S CA 0.391 58.659 58.200 0.114 0.000 0.997 721 S CB 1.890 65.152 63.200 0.103 0.000 1.111 721 S HN 0.750 nan 8.310 nan 0.000 0.552 722 E N -0.924 119.316 120.200 0.067 0.000 2.597 722 E HA 0.296 4.649 4.350 0.003 0.000 0.256 722 E C 0.493 177.108 176.600 0.025 0.000 1.120 722 E CA 0.698 57.120 56.400 0.037 0.000 1.824 722 E CB 0.418 30.122 29.700 0.008 0.000 3.035 722 E HN 1.061 nan 8.360 nan 0.000 1.045 723 G N -0.338 108.480 108.800 0.029 0.000 3.216 723 G HA2 -0.009 3.953 3.960 0.003 0.000 0.221 723 G HA3 -0.009 3.953 3.960 0.003 0.000 0.221 723 G C 0.423 175.338 174.900 0.025 0.000 0.949 723 G CA 0.371 45.486 45.100 0.024 0.000 0.952 723 G HN 0.245 nan 8.290 nan 0.000 0.657 724 S N -1.870 113.850 115.700 0.033 0.000 2.723 724 S HA -0.362 4.110 4.470 0.003 0.000 0.261 724 S C 2.347 176.951 174.600 0.007 0.000 1.294 724 S CA 2.223 60.443 58.200 0.033 0.000 1.467 724 S CB -1.420 61.805 63.200 0.041 0.000 1.849 724 S HN 1.437 nan 8.310 nan 0.000 0.672 725 V N 0.410 120.318 119.914 -0.010 0.000 2.313 725 V HA -0.338 3.784 4.120 0.003 0.000 0.253 725 V C 2.060 178.106 176.094 -0.080 0.000 1.070 725 V CA 2.873 65.151 62.300 -0.036 0.000 1.057 725 V CB -0.676 31.116 31.823 -0.052 0.000 0.653 725 V HN 0.686 nan 8.190 nan 0.000 0.450 726 M N -0.504 119.022 119.600 -0.123 0.000 2.287 726 M HA -0.063 4.419 4.480 0.003 0.000 0.266 726 M C 2.171 178.262 176.300 -0.348 0.000 1.079 726 M CA 1.390 56.522 55.300 -0.280 0.000 1.146 726 M CB -0.018 32.383 32.600 -0.332 0.000 1.374 726 M HN 0.251 nan 8.290 nan 0.000 0.435 727 E N 0.138 120.286 120.200 -0.087 0.000 2.085 727 E HA -0.195 4.157 4.350 0.003 0.000 0.194 727 E C 1.948 178.600 176.600 0.087 0.000 0.994 727 E CA 1.299 57.745 56.400 0.076 0.000 0.801 727 E CB -0.258 29.506 29.700 0.107 0.000 0.743 727 E HN 0.393 nan 8.360 nan 0.000 0.453 728 R N -0.649 119.888 120.500 0.062 0.000 2.120 728 R HA -0.177 4.165 4.340 0.003 0.000 0.234 728 R C 2.134 178.518 176.300 0.139 0.000 1.123 728 R CA 1.430 57.613 56.100 0.137 0.000 0.975 728 R CB -0.195 30.162 30.300 0.094 0.000 0.866 728 R HN 0.291 nan 8.270 nan 0.000 0.446 729 H N -0.420 118.587 119.070 -0.106 0.000 2.276 729 H HA -0.081 4.477 4.556 0.003 0.000 0.301 729 H C 1.626 176.913 175.328 -0.067 0.000 1.073 729 H CA 2.323 58.282 56.048 -0.150 0.000 1.311 729 H CB -0.243 29.333 29.762 -0.310 0.000 1.379 729 H HN 0.345 nan 8.280 nan 0.000 0.494 730 H N -1.548 117.517 119.070 -0.008 0.000 2.321 730 H HA -0.181 4.377 4.556 0.003 0.000 0.295 730 H C 2.039 177.362 175.328 -0.008 0.000 1.102 730 H CA 1.215 57.226 56.048 -0.062 0.000 1.266 730 H CB -0.343 29.447 29.762 0.047 0.000 1.363 730 H HN 0.350 nan 8.280 nan 0.000 0.492 731 F N 1.735 121.726 119.950 0.068 0.000 2.095 731 F HA -0.218 4.311 4.527 0.003 0.000 0.298 731 F C 2.483 178.270 175.800 -0.022 0.000 1.104 731 F CA 1.211 59.230 58.000 0.030 0.000 1.232 731 F CB -0.860 38.154 39.000 0.024 0.000 0.987 731 F HN 0.115 nan 8.300 nan 0.000 0.475 732 A N 0.186 122.843 122.820 -0.272 0.000 1.940 732 A HA -0.201 4.121 4.320 0.003 0.000 0.219 732 A C 2.141 179.505 177.584 -0.367 0.000 1.176 732 A CA 1.669 53.456 52.037 -0.417 0.000 0.631 732 A CB -0.695 18.187 19.000 -0.196 0.000 0.814 732 A HN 0.550 nan 8.150 nan 0.000 0.446 733 Q N -0.580 119.018 119.800 -0.336 0.000 2.079 733 Q HA -0.063 4.279 4.340 0.003 0.000 0.200 733 Q C 2.470 178.345 176.000 -0.209 0.000 0.974 733 Q CA 1.545 57.178 55.803 -0.284 0.000 0.840 733 Q CB -0.823 27.734 28.738 -0.303 0.000 0.898 733 Q HN 0.646 nan 8.270 nan 0.000 0.430 734 A N 1.069 123.791 122.820 -0.164 0.000 1.940 734 A HA -0.181 4.141 4.320 0.003 0.000 0.219 734 A C 2.016 179.537 177.584 -0.105 0.000 1.176 734 A CA 1.263 53.248 52.037 -0.086 0.000 0.631 734 A CB -0.452 18.573 19.000 0.042 0.000 0.814 734 A HN 0.230 nan 8.150 nan 0.000 0.446 735 I N 0.087 120.508 120.570 -0.248 0.000 2.179 735 I HA -0.195 3.977 4.170 0.003 0.000 0.242 735 I C 2.905 178.930 176.117 -0.153 0.000 1.088 735 I CA 0.947 62.106 61.300 -0.236 0.000 1.357 735 I CB -1.498 36.246 38.000 -0.427 0.000 1.051 735 I HN 0.339 nan 8.210 nan 0.000 0.409 736 A N 0.532 123.245 122.820 -0.180 0.000 2.024 736 A HA -0.175 4.147 4.320 0.003 0.000 0.220 736 A C 2.352 179.869 177.584 -0.112 0.000 1.164 736 A CA 1.471 53.419 52.037 -0.148 0.000 0.643 736 A CB -0.731 18.163 19.000 -0.177 0.000 0.806 736 A HN 0.440 nan 8.150 nan 0.000 0.451 737 I N -0.854 119.655 120.570 -0.102 0.000 2.286 737 I HA -0.189 3.983 4.170 0.003 0.000 0.245 737 I C 2.264 178.377 176.117 -0.007 0.000 1.104 737 I CA 0.910 62.164 61.300 -0.076 0.000 1.397 737 I CB -0.454 37.465 38.000 -0.135 0.000 1.072 737 I HN 0.253 nan 8.210 nan 0.000 0.417 738 L N 0.824 122.063 121.223 0.027 0.000 2.131 738 L HA -0.177 4.165 4.340 0.003 0.000 0.210 738 L C 1.708 178.582 176.870 0.007 0.000 1.092 738 L CA 1.076 55.939 54.840 0.038 0.000 0.759 738 L CB -0.571 41.523 42.059 0.058 0.000 0.903 738 L HN 0.326 nan 8.230 nan 0.000 0.435 739 N N -0.884 117.806 118.700 -0.016 0.000 2.449 739 N HA -0.007 4.735 4.740 0.003 0.000 0.191 739 N C 0.269 175.756 175.510 -0.038 0.000 1.161 739 N CA 0.321 53.353 53.050 -0.030 0.000 0.863 739 N CB 0.080 38.543 38.487 -0.040 0.000 0.980 739 N HN 0.135 nan 8.380 nan 0.000 0.458 740 T N -0.087 114.448 114.554 -0.032 0.000 2.882 740 T HA 0.088 4.440 4.350 0.003 0.000 0.287 740 T C -0.148 174.555 174.700 0.005 0.000 0.992 740 T CA -0.371 61.725 62.100 -0.006 0.000 1.076 740 T CB 0.853 69.708 68.868 -0.021 0.000 0.961 740 T HN 0.163 nan 8.240 nan 0.000 0.490 741 H N 1.336 120.393 119.070 -0.021 0.000 3.195 741 H HA 0.216 4.774 4.556 0.003 0.000 0.302 741 H C 1.542 176.839 175.328 -0.052 0.000 0.950 741 H CA 1.770 57.797 56.048 -0.036 0.000 1.398 741 H CB 0.041 29.785 29.762 -0.030 0.000 1.377 741 H HN 0.999 nan 8.280 nan 0.000 0.572 742 G N 2.588 111.429 108.800 0.068 0.000 2.225 742 G HA2 -0.339 3.623 3.960 0.003 0.000 0.267 742 G HA3 -0.339 3.623 3.960 0.003 0.000 0.267 742 G C 0.881 175.759 174.900 -0.037 0.000 1.024 742 G CA 0.541 45.653 45.100 0.021 0.000 0.784 742 G HN 0.717 nan 8.290 nan 0.000 0.507 743 C N -0.986 118.296 119.300 -0.031 0.000 3.270 743 C HA 0.307 4.769 4.460 0.003 0.000 0.369 743 C C 1.196 176.160 174.990 -0.043 0.000 1.326 743 C CA -0.403 58.619 59.018 0.006 0.000 1.846 743 C CB -0.325 27.438 27.740 0.038 0.000 2.534 743 C HN 0.601 nan 8.230 nan 0.000 0.649 744 N N 2.831 121.471 118.700 -0.100 0.000 2.400 744 N HA 0.080 4.822 4.740 0.003 0.000 0.278 744 N C 0.947 176.277 175.510 -0.299 0.000 1.247 744 N CA -0.074 52.868 53.050 -0.179 0.000 0.970 744 N CB 0.067 38.507 38.487 -0.078 0.000 1.312 744 N HN 0.644 nan 8.380 nan 0.000 0.488 745 I N -0.862 119.353 120.570 -0.590 0.000 3.111 745 I HA 0.078 4.250 4.170 0.003 0.000 0.272 745 I C -0.099 175.749 176.117 -0.448 0.000 1.268 745 I CA 0.565 61.537 61.300 -0.545 0.000 1.467 745 I CB -0.215 37.363 38.000 -0.702 0.000 1.087 745 I HN 0.082 nan 8.210 nan 0.000 0.467 746 F N 1.635 121.366 119.950 -0.365 0.000 2.898 746 F HA 0.271 4.800 4.527 0.003 0.000 0.290 746 F C 1.486 177.143 175.800 -0.240 0.000 1.195 746 F CA -0.962 56.609 58.000 -0.715 0.000 1.387 746 F CB -1.061 37.452 39.000 -0.813 0.000 0.976 746 F HN 0.036 nan 8.300 nan 0.000 0.510 747 D N 0.465 120.810 120.400 -0.090 0.000 2.087 747 D HA -0.180 4.462 4.640 0.003 0.000 0.192 747 D C 2.011 178.281 176.300 -0.050 0.000 0.993 747 D CA 1.590 55.473 54.000 -0.194 0.000 0.828 747 D CB -0.054 40.420 40.800 -0.543 0.000 0.968 747 D HN 0.474 nan 8.370 nan 0.000 0.448 748 H N -1.627 117.626 119.070 0.305 0.000 2.539 748 H HA 0.061 4.619 4.556 0.003 0.000 0.269 748 H C 0.286 175.883 175.328 0.448 0.000 0.980 748 H CA -0.464 55.777 56.048 0.323 0.000 1.152 748 H CB -0.150 29.757 29.762 0.243 0.000 1.407 748 H HN 0.026 nan 8.280 nan 0.000 0.564 749 F N 3.678 123.822 119.950 0.324 0.000 2.607 749 F HA -0.052 4.477 4.527 0.003 0.000 0.374 749 F C 1.318 177.241 175.800 0.206 0.000 1.104 749 F CA -0.780 57.380 58.000 0.267 0.000 1.296 749 F CB 0.282 39.448 39.000 0.276 0.000 1.085 749 F HN 0.068 nan 8.300 nan 0.000 0.584 750 S N 4.183 120.056 115.700 0.289 0.000 2.563 750 S HA 0.104 4.576 4.470 0.003 0.000 0.284 750 S C 1.308 176.044 174.600 0.226 0.000 1.331 750 S CA -0.773 57.545 58.200 0.197 0.000 1.047 750 S CB 0.552 63.830 63.200 0.130 0.000 0.859 750 S HN 0.649 nan 8.310 nan 0.000 0.514 751 R N 1.535 122.130 120.500 0.159 0.000 2.174 751 R HA -0.226 4.116 4.340 0.003 0.000 0.253 751 R C 1.923 178.338 176.300 0.191 0.000 1.165 751 R CA 1.837 58.030 56.100 0.155 0.000 0.984 751 R CB -0.628 29.725 30.300 0.088 0.000 0.873 751 R HN 0.598 nan 8.270 nan 0.000 0.456 752 K N 0.945 121.436 120.400 0.153 0.000 1.978 752 K HA -0.153 4.169 4.320 0.003 0.000 0.214 752 K C 1.777 178.472 176.600 0.158 0.000 1.049 752 K CA 2.084 58.449 56.287 0.131 0.000 0.939 752 K CB -0.226 32.332 32.500 0.097 0.000 0.721 752 K HN 0.110 nan 8.250 nan 0.000 0.441 753 D N -0.582 119.930 120.400 0.187 0.000 2.108 753 D HA -0.231 4.411 4.640 0.003 0.000 0.190 753 D C 1.889 178.355 176.300 0.276 0.000 0.995 753 D CA 1.434 55.564 54.000 0.217 0.000 0.834 753 D CB -0.791 40.129 40.800 0.201 0.000 0.967 753 D HN 0.221 nan 8.370 nan 0.000 0.446 754 Y N 1.560 122.014 120.300 0.256 0.000 2.062 754 Y HA -0.350 4.202 4.550 0.003 0.000 0.273 754 Y C 2.552 178.478 175.900 0.044 0.000 1.206 754 Y CA 2.177 60.347 58.100 0.117 0.000 1.125 754 Y CB -0.104 38.425 38.460 0.115 0.000 0.951 754 Y HN -0.051 nan 8.280 nan 0.000 0.501 755 Q N 0.540 120.485 119.800 0.242 0.000 1.948 755 Q HA -0.288 4.054 4.340 0.003 0.000 0.205 755 Q C 2.510 178.523 176.000 0.021 0.000 0.992 755 Q CA 2.358 58.242 55.803 0.136 0.000 0.849 755 Q CB -0.698 28.124 28.738 0.139 0.000 0.918 755 Q HN 0.672 nan 8.270 nan 0.000 0.421 756 R N -0.043 120.482 120.500 0.041 0.000 2.185 756 R HA -0.206 4.136 4.340 0.003 0.000 0.247 756 R C 2.038 178.303 176.300 -0.058 0.000 1.159 756 R CA 2.082 58.188 56.100 0.011 0.000 0.988 756 R CB -0.420 29.908 30.300 0.046 0.000 0.871 756 R HN 0.193 nan 8.270 nan 0.000 0.458 757 M N 0.106 119.623 119.600 -0.137 0.000 2.374 757 M HA 0.031 4.513 4.480 0.003 0.000 0.264 757 M C 1.176 177.271 176.300 -0.342 0.000 1.067 757 M CA 1.293 56.390 55.300 -0.339 0.000 1.103 757 M CB 0.049 32.261 32.600 -0.646 0.000 1.402 757 M HN 0.282 nan 8.290 nan 0.000 0.444 758 L N -0.698 120.387 121.223 -0.230 0.000 2.202 758 L HA 0.049 4.391 4.340 0.003 0.000 0.205 758 L C 1.626 178.476 176.870 -0.034 0.000 1.083 758 L CA 1.497 56.290 54.840 -0.078 0.000 0.790 758 L CB -0.935 41.117 42.059 -0.012 0.000 0.942 758 L HN 0.224 nan 8.230 nan 0.000 0.452 759 D N -0.745 119.621 120.400 -0.057 0.000 2.084 759 D HA -0.163 4.479 4.640 0.003 0.000 0.196 759 D C 2.389 178.621 176.300 -0.113 0.000 0.985 759 D CA 0.892 54.845 54.000 -0.078 0.000 0.826 759 D CB -0.049 40.733 40.800 -0.030 0.000 0.978 759 D HN 0.079 nan 8.370 nan 0.000 0.456 760 L N 0.228 121.404 121.223 -0.078 0.000 1.991 760 L HA -0.292 4.051 4.340 0.003 0.000 0.221 760 L C 2.471 179.284 176.870 -0.095 0.000 1.079 760 L CA 1.436 56.237 54.840 -0.064 0.000 0.778 760 L CB -0.443 41.583 42.059 -0.054 0.000 0.893 760 L HN 0.239 nan 8.230 nan 0.000 0.437 761 M N -1.429 118.111 119.600 -0.100 0.000 2.117 761 M HA -0.235 4.247 4.480 0.003 0.000 0.262 761 M C 2.438 178.611 176.300 -0.212 0.000 1.065 761 M CA 1.521 56.789 55.300 -0.054 0.000 1.114 761 M CB -0.482 32.167 32.600 0.082 0.000 1.361 761 M HN 0.211 nan 8.290 nan 0.000 0.408 762 R N 0.604 120.794 120.500 -0.517 0.000 2.091 762 R HA -0.186 4.156 4.340 0.003 0.000 0.238 762 R C 1.425 177.428 176.300 -0.494 0.000 1.136 762 R CA 2.007 57.468 56.100 -1.064 0.000 0.959 762 R CB -0.266 29.305 30.300 -1.215 0.000 0.856 762 R HN 0.352 nan 8.270 nan 0.000 0.437 763 D N 0.574 120.801 120.400 -0.288 0.000 2.077 763 D HA -0.142 4.500 4.640 0.003 0.000 0.196 763 D C 2.057 178.258 176.300 -0.164 0.000 0.986 763 D CA 1.457 55.346 54.000 -0.185 0.000 0.829 763 D CB -0.381 40.364 40.800 -0.092 0.000 0.983 763 D HN 0.285 nan 8.370 nan 0.000 0.453 764 I N 0.789 121.293 120.570 -0.109 0.000 2.151 764 I HA -0.285 3.887 4.170 0.003 0.000 0.243 764 I C 2.467 178.548 176.117 -0.059 0.000 1.080 764 I CA 0.994 62.253 61.300 -0.067 0.000 1.339 764 I CB -0.285 37.695 38.000 -0.032 0.000 1.039 764 I HN -0.036 nan 8.210 nan 0.000 0.409 765 I N -0.081 120.466 120.570 -0.038 0.000 2.252 765 I HA -0.261 3.911 4.170 0.003 0.000 0.245 765 I C 2.048 178.180 176.117 0.025 0.000 1.102 765 I CA 0.999 62.332 61.300 0.055 0.000 1.385 765 I CB -0.147 37.936 38.000 0.139 0.000 1.064 765 I HN 0.190 nan 8.210 nan 0.000 0.414 766 L N 0.297 121.468 121.223 -0.086 0.000 2.465 766 L HA 0.012 4.354 4.340 0.003 0.000 0.224 766 L C 2.466 179.185 176.870 -0.251 0.000 1.145 766 L CA 1.228 55.997 54.840 -0.117 0.000 0.834 766 L CB -1.634 40.326 42.059 -0.164 0.000 0.944 766 L HN 0.182 nan 8.230 nan 0.000 0.451 767 A N -0.737 121.925 122.820 -0.262 0.000 2.016 767 A HA -0.121 4.201 4.320 0.003 0.000 0.217 767 A C 2.093 179.643 177.584 -0.056 0.000 1.162 767 A CA 1.398 53.246 52.037 -0.315 0.000 0.662 767 A CB -0.680 18.232 19.000 -0.146 0.000 0.812 767 A HN 0.466 nan 8.150 nan 0.000 0.450 768 T N -1.738 112.820 114.554 0.006 0.000 3.400 768 T HA -0.003 4.349 4.350 0.003 0.000 0.254 768 T C 0.109 174.894 174.700 0.141 0.000 1.153 768 T CA 0.511 62.665 62.100 0.090 0.000 1.012 768 T CB -0.552 68.405 68.868 0.148 0.000 0.994 768 T HN 0.243 nan 8.240 nan 0.000 0.555 769 D N 1.111 121.584 120.400 0.123 0.000 2.396 769 D HA 0.142 4.784 4.640 0.003 0.000 0.225 769 D C 1.169 177.591 176.300 0.203 0.000 1.121 769 D CA -0.899 53.195 54.000 0.157 0.000 0.853 769 D CB 0.745 41.627 40.800 0.137 0.000 1.043 769 D HN -0.044 nan 8.370 nan 0.000 0.500 770 L N 4.262 125.594 121.223 0.180 0.000 2.089 770 L HA -0.223 4.119 4.340 0.003 0.000 0.213 770 L C 2.154 179.143 176.870 0.199 0.000 1.079 770 L CA 2.020 56.977 54.840 0.195 0.000 0.758 770 L CB -1.338 40.821 42.059 0.167 0.000 0.891 770 L HN 0.579 nan 8.230 nan 0.000 0.433 771 A N -1.727 121.189 122.820 0.160 0.000 1.940 771 A HA -0.271 4.051 4.320 0.003 0.000 0.219 771 A C 2.330 179.997 177.584 0.138 0.000 1.176 771 A CA 1.715 53.826 52.037 0.124 0.000 0.631 771 A CB -0.825 18.238 19.000 0.104 0.000 0.814 771 A HN 0.668 nan 8.150 nan 0.000 0.446 772 H N -1.045 118.079 119.070 0.091 0.000 2.299 772 H HA -0.204 4.354 4.556 0.003 0.000 0.302 772 H C 2.094 177.485 175.328 0.106 0.000 1.078 772 H CA 2.250 58.349 56.048 0.084 0.000 1.323 772 H CB -0.554 29.258 29.762 0.083 0.000 1.381 772 H HN 0.680 nan 8.280 nan 0.000 0.498 773 H N 1.093 120.268 119.070 0.175 0.000 2.267 773 H HA -0.172 4.386 4.556 0.003 0.000 0.291 773 H C 2.718 178.068 175.328 0.037 0.000 1.094 773 H CA 2.520 58.630 56.048 0.102 0.000 1.227 773 H CB -0.716 29.102 29.762 0.093 0.000 1.351 773 H HN 0.305 nan 8.280 nan 0.000 0.483 774 L N -0.144 120.994 121.223 -0.142 0.000 2.021 774 L HA -0.287 4.055 4.340 0.003 0.000 0.215 774 L C 2.931 179.723 176.870 -0.129 0.000 1.074 774 L CA 2.011 56.729 54.840 -0.204 0.000 0.760 774 L CB -0.630 41.390 42.059 -0.064 0.000 0.889 774 L HN 0.339 nan 8.230 nan 0.000 0.433 775 R N 0.219 120.648 120.500 -0.117 0.000 2.096 775 R HA -0.207 4.136 4.340 0.003 0.000 0.240 775 R C 2.286 178.505 176.300 -0.134 0.000 1.139 775 R CA 2.177 58.205 56.100 -0.119 0.000 0.952 775 R CB -0.508 29.702 30.300 -0.149 0.000 0.854 775 R HN 0.547 nan 8.270 nan 0.000 0.436 776 I N -1.729 118.716 120.570 -0.209 0.000 3.251 776 I HA -0.063 4.109 4.170 0.003 0.000 0.277 776 I C 1.836 177.897 176.117 -0.092 0.000 1.268 776 I CA 0.711 61.925 61.300 -0.144 0.000 1.449 776 I CB -0.286 37.621 38.000 -0.155 0.000 1.083 776 I HN -0.004 nan 8.210 nan 0.000 0.464 777 F N 2.902 122.689 119.950 -0.273 0.000 2.111 777 F HA -0.308 4.221 4.527 0.003 0.000 0.300 777 F C 2.347 178.069 175.800 -0.129 0.000 1.088 777 F CA 2.168 60.010 58.000 -0.264 0.000 1.243 777 F CB -0.323 38.449 39.000 -0.380 0.000 0.996 777 F HN 0.014 nan 8.300 nan 0.000 0.483 778 K N -0.305 119.986 120.400 -0.181 0.000 2.283 778 K HA -0.155 4.167 4.320 0.003 0.000 0.202 778 K C 1.315 177.795 176.600 -0.201 0.000 1.048 778 K CA 1.579 57.737 56.287 -0.214 0.000 0.948 778 K CB -0.184 32.280 32.500 -0.060 0.000 0.742 778 K HN 0.359 nan 8.250 nan 0.000 0.458 779 D N 0.053 120.359 120.400 -0.158 0.000 2.271 779 D HA -0.027 4.615 4.640 0.003 0.000 0.206 779 D C 1.331 177.545 176.300 -0.142 0.000 0.967 779 D CA 0.560 54.497 54.000 -0.105 0.000 0.867 779 D CB 0.235 41.005 40.800 -0.051 0.000 0.960 779 D HN 0.066 nan 8.370 nan 0.000 0.509 780 L N 0.463 121.562 121.223 -0.208 0.000 2.465 780 L HA -0.057 4.286 4.340 0.003 0.000 0.224 780 L C 1.978 178.682 176.870 -0.276 0.000 1.145 780 L CA 0.760 55.479 54.840 -0.202 0.000 0.834 780 L CB -0.077 41.902 42.059 -0.133 0.000 0.944 780 L HN 0.075 nan 8.230 nan 0.000 0.451 781 Q N -0.349 119.235 119.800 -0.361 0.000 2.084 781 Q HA -0.150 4.192 4.340 0.003 0.000 0.194 781 Q C 2.063 177.962 176.000 -0.169 0.000 0.969 781 Q CA 0.759 56.377 55.803 -0.307 0.000 0.829 781 Q CB 0.045 28.552 28.738 -0.385 0.000 0.904 781 Q HN 0.092 nan 8.270 nan 0.000 0.464 782 K N 1.190 121.511 120.400 -0.131 0.000 2.089 782 K HA -0.223 4.099 4.320 0.003 0.000 0.210 782 K C 1.983 178.559 176.600 -0.041 0.000 1.048 782 K CA 1.687 57.937 56.287 -0.061 0.000 0.926 782 K CB -0.184 32.300 32.500 -0.028 0.000 0.714 782 K HN 0.194 nan 8.250 nan 0.000 0.448 783 M N -0.766 118.777 119.600 -0.095 0.000 2.117 783 M HA -0.161 4.321 4.480 0.003 0.000 0.262 783 M C 1.904 178.142 176.300 -0.104 0.000 1.065 783 M CA 2.034 57.221 55.300 -0.188 0.000 1.114 783 M CB -0.116 32.212 32.600 -0.453 0.000 1.361 783 M HN 0.185 nan 8.290 nan 0.000 0.408 784 A N -0.094 122.662 122.820 -0.106 0.000 1.898 784 A HA -0.176 4.146 4.320 0.003 0.000 0.216 784 A C 1.867 179.425 177.584 -0.044 0.000 1.181 784 A CA 1.958 53.949 52.037 -0.077 0.000 0.620 784 A CB -0.764 18.183 19.000 -0.088 0.000 0.819 784 A HN 0.664 nan 8.150 nan 0.000 0.442 785 E N -0.476 119.698 120.200 -0.043 0.000 2.051 785 E HA -0.096 4.256 4.350 0.003 0.000 0.192 785 E C 0.922 177.523 176.600 0.002 0.000 0.991 785 E CA 1.522 57.908 56.400 -0.024 0.000 0.799 785 E CB -0.055 29.627 29.700 -0.029 0.000 0.748 785 E HN 0.534 nan 8.360 nan 0.000 0.449 786 V N -1.625 118.305 119.914 0.026 0.000 2.219 786 V HA 0.576 4.698 4.120 0.003 0.000 0.267 786 V C 0.663 176.824 176.094 0.112 0.000 1.266 786 V CA -0.024 62.311 62.300 0.059 0.000 1.270 786 V CB -0.349 31.513 31.823 0.066 0.000 1.356 786 V HN 0.421 nan 8.190 nan 0.000 0.490 787 G N 3.346 112.194 108.800 0.081 0.000 2.646 787 G HA2 -0.313 3.649 3.960 0.003 0.000 0.324 787 G HA3 -0.313 3.649 3.960 0.003 0.000 0.324 787 G C 0.033 175.065 174.900 0.220 0.000 1.195 787 G CA 1.529 46.697 45.100 0.114 0.000 0.976 787 G HN 2.402 nan 8.290 nan 0.000 0.546 788 Y N 0.786 121.197 120.300 0.184 0.000 1.856 788 Y HA 0.368 4.921 4.550 0.003 0.000 0.307 788 Y C -1.244 174.883 175.900 0.379 0.000 1.171 788 Y CA -0.247 58.042 58.100 0.314 0.000 1.822 788 Y CB -0.186 38.336 38.460 0.103 0.000 1.243 788 Y HN 0.661 nan 8.280 nan 0.000 0.374 789 D N 5.014 125.395 120.400 -0.032 0.000 2.371 789 D HA 0.186 4.828 4.640 0.003 0.000 0.256 789 D C 1.149 177.105 176.300 -0.573 0.000 1.193 789 D CA 0.157 53.915 54.000 -0.405 0.000 0.881 789 D CB 0.985 41.500 40.800 -0.475 0.000 1.143 789 D HN 0.698 nan 8.370 nan 0.000 0.473 790 R N 3.248 123.490 120.500 -0.430 0.000 2.235 790 R HA -0.042 4.300 4.340 0.003 0.000 0.213 790 R C 0.532 176.767 176.300 -0.108 0.000 1.059 790 R CA 0.540 56.541 56.100 -0.165 0.000 0.997 790 R CB 0.286 30.545 30.300 -0.068 0.000 0.884 790 R HN 0.460 nan 8.270 nan 0.000 0.462 791 N N 0.140 118.723 118.700 -0.196 0.000 2.409 791 N HA -0.086 4.656 4.740 0.003 0.000 0.174 791 N C 0.305 175.667 175.510 -0.246 0.000 1.037 791 N CA 0.129 53.064 53.050 -0.192 0.000 0.898 791 N CB -0.251 38.147 38.487 -0.148 0.000 1.010 791 N HN 0.052 nan 8.380 nan 0.000 0.445 792 N N 2.094 120.629 118.700 -0.275 0.000 2.429 792 N HA -0.018 4.724 4.740 0.003 0.000 0.271 792 N C 0.741 176.131 175.510 -0.200 0.000 1.272 792 N CA 0.163 53.060 53.050 -0.255 0.000 0.921 792 N CB 0.948 39.172 38.487 -0.438 0.000 1.128 792 N HN -0.101 nan 8.380 nan 0.000 0.481 793 K N 2.389 122.689 120.400 -0.167 0.000 2.097 793 K HA -0.132 4.191 4.320 0.003 0.000 0.205 793 K C 1.617 178.245 176.600 0.046 0.000 1.050 793 K CA 1.045 57.258 56.287 -0.124 0.000 0.938 793 K CB -0.108 32.346 32.500 -0.076 0.000 0.718 793 K HN 0.511 nan 8.250 nan 0.000 0.442 794 Q N -0.009 119.832 119.800 0.068 0.000 2.084 794 Q HA -0.111 4.231 4.340 0.003 0.000 0.202 794 Q C 1.658 177.837 176.000 0.298 0.000 0.978 794 Q CA 1.754 57.648 55.803 0.153 0.000 0.844 794 Q CB -0.257 28.556 28.738 0.124 0.000 0.898 794 Q HN 0.589 nan 8.270 nan 0.000 0.426 795 H N -1.487 117.685 119.070 0.171 0.000 2.456 795 H HA -0.110 4.448 4.556 0.003 0.000 0.296 795 H C 1.729 177.375 175.328 0.530 0.000 1.079 795 H CA 1.025 57.267 56.048 0.324 0.000 1.322 795 H CB 0.164 30.100 29.762 0.291 0.000 1.388 795 H HN 0.522 nan 8.280 nan 0.000 0.538 796 H N 0.144 119.457 119.070 0.405 0.000 2.389 796 H HA -0.048 4.510 4.556 0.003 0.000 0.299 796 H C 2.303 177.770 175.328 0.232 0.000 1.081 796 H CA 0.430 56.687 56.048 0.348 0.000 1.345 796 H CB 0.354 30.264 29.762 0.245 0.000 1.393 796 H HN 0.266 nan 8.280 nan 0.000 0.520 797 R N 0.377 121.067 120.500 0.317 0.000 2.075 797 R HA -0.102 4.240 4.340 0.003 0.000 0.232 797 R C 2.210 178.612 176.300 0.170 0.000 1.126 797 R CA 1.035 57.257 56.100 0.203 0.000 0.963 797 R CB -0.028 30.374 30.300 0.170 0.000 0.858 797 R HN 0.209 nan 8.270 nan 0.000 0.435 798 L N 0.005 121.330 121.223 0.171 0.000 2.341 798 L HA -0.044 4.298 4.340 0.003 0.000 0.214 798 L C 2.020 178.940 176.870 0.083 0.000 1.115 798 L CA 0.218 55.128 54.840 0.116 0.000 0.820 798 L CB -0.285 41.815 42.059 0.070 0.000 0.944 798 L HN 0.127 nan 8.230 nan 0.000 0.452 799 L N -0.132 121.145 121.223 0.091 0.000 2.072 799 L HA -0.091 4.251 4.340 0.003 0.000 0.205 799 L C 2.192 179.076 176.870 0.024 0.000 1.079 799 L CA 1.745 56.589 54.840 0.007 0.000 0.752 799 L CB -0.490 41.529 42.059 -0.067 0.000 0.906 799 L HN 0.149 nan 8.230 nan 0.000 0.436 800 L N -1.742 119.519 121.223 0.064 0.000 2.093 800 L HA -0.250 4.092 4.340 0.003 0.000 0.208 800 L C 2.628 179.524 176.870 0.043 0.000 1.085 800 L CA 1.093 55.964 54.840 0.051 0.000 0.755 800 L CB -0.620 41.482 42.059 0.072 0.000 0.904 800 L HN 0.353 nan 8.230 nan 0.000 0.435 801 C N -0.378 118.967 119.300 0.075 0.000 2.418 801 C HA -0.225 4.237 4.460 0.003 0.000 0.280 801 C C 2.733 177.758 174.990 0.057 0.000 1.223 801 C CA 0.852 59.926 59.018 0.093 0.000 1.736 801 C CB -0.790 27.065 27.740 0.192 0.000 2.056 801 C HN 0.457 nan 8.230 nan 0.000 0.459 802 L N 0.416 121.675 121.223 0.060 0.000 2.034 802 L HA -0.224 4.118 4.340 0.003 0.000 0.217 802 L C 2.320 179.160 176.870 -0.049 0.000 1.077 802 L CA 1.970 56.818 54.840 0.013 0.000 0.769 802 L CB -0.623 41.451 42.059 0.025 0.000 0.890 802 L HN 0.320 nan 8.230 nan 0.000 0.435 803 L N -1.925 119.270 121.223 -0.047 0.000 2.017 803 L HA -0.265 4.077 4.340 0.003 0.000 0.208 803 L C 2.506 179.359 176.870 -0.029 0.000 1.073 803 L CA 1.813 56.616 54.840 -0.061 0.000 0.745 803 L CB -0.603 41.411 42.059 -0.075 0.000 0.894 803 L HN 0.402 nan 8.230 nan 0.000 0.432 804 M N -0.517 119.062 119.600 -0.035 0.000 2.115 804 M HA -0.246 4.236 4.480 0.003 0.000 0.258 804 M C 2.306 178.545 176.300 -0.102 0.000 1.071 804 M CA 2.343 57.603 55.300 -0.066 0.000 1.100 804 M CB -0.823 31.740 32.600 -0.062 0.000 1.292 804 M HN 0.133 nan 8.290 nan 0.000 0.415 805 T N 0.293 114.779 114.554 -0.112 0.000 2.653 805 T HA -0.171 4.181 4.350 0.003 0.000 0.268 805 T C 1.795 176.360 174.700 -0.225 0.000 1.035 805 T CA 2.069 64.053 62.100 -0.194 0.000 1.154 805 T CB -0.535 68.146 68.868 -0.311 0.000 0.862 805 T HN 0.554 nan 8.240 nan 0.000 0.441 806 S N 0.291 115.879 115.700 -0.187 0.000 2.399 806 S HA -0.109 4.364 4.470 0.003 0.000 0.231 806 S C 2.406 177.039 174.600 0.056 0.000 1.022 806 S CA 0.892 59.018 58.200 -0.123 0.000 0.983 806 S CB -0.593 62.590 63.200 -0.029 0.000 0.803 806 S HN 0.590 nan 8.310 nan 0.000 0.480 807 C N 1.446 120.798 119.300 0.086 0.000 2.466 807 C HA -0.019 4.443 4.460 0.003 0.000 0.278 807 C C 2.640 177.525 174.990 -0.174 0.000 1.288 807 C CA 0.454 59.525 59.018 0.088 0.000 1.722 807 C CB -1.080 26.728 27.740 0.113 0.000 2.017 807 C HN 0.572 nan 8.230 nan 0.000 0.488 808 D N 1.054 121.364 120.400 -0.150 0.000 2.123 808 D HA -0.101 4.541 4.640 0.003 0.000 0.196 808 D C 1.423 177.706 176.300 -0.028 0.000 0.992 808 D CA 1.264 55.218 54.000 -0.076 0.000 0.833 808 D CB -0.188 40.553 40.800 -0.100 0.000 0.954 808 D HN 0.491 nan 8.370 nan 0.000 0.455 809 L N 0.348 121.455 121.223 -0.194 0.000 2.741 809 L HA 0.238 4.580 4.340 0.003 0.000 0.237 809 L C 1.874 178.695 176.870 -0.081 0.000 1.178 809 L CA 0.201 54.913 54.840 -0.214 0.000 0.973 809 L CB -0.126 41.735 42.059 -0.329 0.000 1.255 809 L HN -0.093 nan 8.230 nan 0.000 0.498 810 S N 0.322 115.855 115.700 -0.277 0.000 2.512 810 S HA -0.244 4.228 4.470 0.003 0.000 0.253 810 S C 1.492 175.822 174.600 -0.450 0.000 0.984 810 S CA 1.528 59.291 58.200 -0.729 0.000 0.962 810 S CB -0.542 61.669 63.200 -1.650 0.000 0.747 810 S HN 0.723 nan 8.310 nan 0.000 0.525 811 D N -0.221 120.086 120.400 -0.156 0.000 2.355 811 D HA -0.082 4.560 4.640 0.003 0.000 0.218 811 D C 1.508 177.762 176.300 -0.077 0.000 1.004 811 D CA 0.239 54.195 54.000 -0.073 0.000 0.880 811 D CB -0.258 40.565 40.800 0.038 0.000 0.911 811 D HN 0.412 nan 8.370 nan 0.000 0.528 812 Q N 0.616 120.345 119.800 -0.117 0.000 2.311 812 Q HA -0.048 4.294 4.340 0.003 0.000 0.203 812 Q C 2.115 177.978 176.000 -0.228 0.000 0.954 812 Q CA 1.388 57.121 55.803 -0.116 0.000 0.885 812 Q CB -0.299 28.360 28.738 -0.132 0.000 0.963 812 Q HN 0.569 nan 8.270 nan 0.000 0.471 813 T N -2.071 112.277 114.554 -0.343 0.000 3.129 813 T HA 0.096 4.448 4.350 0.003 0.000 0.251 813 T C 0.732 175.352 174.700 -0.134 0.000 1.117 813 T CA -0.246 61.668 62.100 -0.309 0.000 1.034 813 T CB 0.303 68.946 68.868 -0.374 0.000 0.968 813 T HN -0.195 nan 8.240 nan 0.000 0.526 814 K N 1.609 121.951 120.400 -0.097 0.000 2.318 814 K HA 0.587 4.910 4.320 0.003 0.000 0.243 814 K C 1.074 177.649 176.600 -0.041 0.000 1.047 814 K CA -0.610 55.646 56.287 -0.051 0.000 0.937 814 K CB -0.335 32.125 32.500 -0.067 0.000 1.225 814 K HN 0.275 nan 8.250 nan 0.000 0.506 815 G N 0.031 108.808 108.800 -0.039 0.000 2.594 815 G HA2 -0.083 3.879 3.960 0.003 0.000 0.243 815 G HA3 -0.083 3.879 3.960 0.003 0.000 0.243 815 G C 0.826 175.690 174.900 -0.059 0.000 1.229 815 G CA -0.469 44.617 45.100 -0.024 0.000 0.843 815 G HN 0.741 nan 8.290 nan 0.000 0.578 816 W N 2.258 123.396 121.300 -0.269 0.000 2.318 816 W HA -0.206 4.456 4.660 0.003 0.000 0.313 816 W C 2.164 178.492 176.519 -0.317 0.000 1.221 816 W CA 1.845 58.924 57.345 -0.443 0.000 1.266 816 W CB 0.128 29.105 29.460 -0.804 0.000 1.150 816 W HN 0.691 nan 8.180 nan 0.000 0.496 817 K N 0.087 120.271 120.400 -0.360 0.000 2.283 817 K HA -0.111 4.212 4.320 0.003 0.000 0.202 817 K C 1.715 178.091 176.600 -0.372 0.000 1.048 817 K CA 2.083 58.117 56.287 -0.421 0.000 0.948 817 K CB -0.420 31.979 32.500 -0.168 0.000 0.742 817 K HN -0.085 nan 8.250 nan 0.000 0.458 818 T N -0.185 114.197 114.554 -0.287 0.000 2.814 818 T HA -0.104 4.248 4.350 0.003 0.000 0.254 818 T C 1.848 176.398 174.700 -0.250 0.000 1.037 818 T CA 1.533 63.502 62.100 -0.219 0.000 1.143 818 T CB -0.409 68.370 68.868 -0.149 0.000 0.866 818 T HN 0.427 nan 8.240 nan 0.000 0.431 819 T N 1.838 116.229 114.554 -0.272 0.000 2.746 819 T HA -0.136 4.216 4.350 0.003 0.000 0.267 819 T C 2.161 176.656 174.700 -0.342 0.000 1.039 819 T CA 1.024 62.991 62.100 -0.222 0.000 1.142 819 T CB -0.260 68.543 68.868 -0.110 0.000 0.866 819 T HN 0.097 nan 8.240 nan 0.000 0.444 820 R N 0.387 120.455 120.500 -0.720 0.000 2.103 820 R HA -0.088 4.254 4.340 0.003 0.000 0.242 820 R C 2.393 178.468 176.300 -0.375 0.000 1.142 820 R CA 1.382 57.010 56.100 -0.785 0.000 0.960 820 R CB -0.271 29.356 30.300 -1.122 0.000 0.858 820 R HN 0.255 nan 8.270 nan 0.000 0.439 821 K N 0.444 120.655 120.400 -0.314 0.000 2.103 821 K HA -0.028 4.294 4.320 0.003 0.000 0.204 821 K C 2.113 178.614 176.600 -0.165 0.000 1.052 821 K CA 0.971 57.137 56.287 -0.202 0.000 0.945 821 K CB -0.256 32.139 32.500 -0.176 0.000 0.722 821 K HN 0.207 nan 8.250 nan 0.000 0.443 822 I N 0.585 121.046 120.570 -0.181 0.000 2.286 822 I HA -0.170 4.002 4.170 0.003 0.000 0.245 822 I C 2.279 178.238 176.117 -0.264 0.000 1.104 822 I CA 1.066 62.239 61.300 -0.211 0.000 1.397 822 I CB -0.452 37.427 38.000 -0.201 0.000 1.072 822 I HN -0.048 nan 8.210 nan 0.000 0.417 823 A N 0.844 123.576 122.820 -0.146 0.000 2.042 823 A HA -0.264 4.058 4.320 0.003 0.000 0.222 823 A C 2.218 179.829 177.584 0.045 0.000 1.167 823 A CA 1.927 53.962 52.037 -0.004 0.000 0.649 823 A CB -0.666 18.519 19.000 0.308 0.000 0.809 823 A HN 0.545 nan 8.150 nan 0.000 0.457 824 E N -0.220 119.962 120.200 -0.029 0.000 2.051 824 E HA -0.203 4.149 4.350 0.003 0.000 0.192 824 E C 1.915 178.481 176.600 -0.057 0.000 0.991 824 E CA 1.452 57.846 56.400 -0.009 0.000 0.799 824 E CB -0.444 29.230 29.700 -0.043 0.000 0.748 824 E HN 0.634 nan 8.360 nan 0.000 0.449 825 L N 0.911 122.042 121.223 -0.153 0.000 2.046 825 L HA -0.163 4.179 4.340 0.003 0.000 0.208 825 L C 2.526 179.210 176.870 -0.310 0.000 1.077 825 L CA 1.151 55.881 54.840 -0.183 0.000 0.747 825 L CB -0.463 41.498 42.059 -0.165 0.000 0.896 825 L HN 0.073 nan 8.230 nan 0.000 0.432 826 I N -1.644 118.563 120.570 -0.605 0.000 2.163 826 I HA -0.348 3.824 4.170 0.003 0.000 0.243 826 I C 2.301 178.034 176.117 -0.640 0.000 1.085 826 I CA 1.759 62.543 61.300 -0.860 0.000 1.347 826 I CB -0.334 36.957 38.000 -1.181 0.000 1.044 826 I HN 0.177 nan 8.210 nan 0.000 0.408 827 Y N 0.391 120.462 120.300 -0.381 0.000 2.337 827 Y HA -0.158 4.394 4.550 0.003 0.000 0.293 827 Y C 2.557 178.300 175.900 -0.262 0.000 1.123 827 Y CA 1.094 58.950 58.100 -0.406 0.000 1.201 827 Y CB -0.198 38.075 38.460 -0.311 0.000 1.011 827 Y HN 0.047 nan 8.280 nan 0.000 0.545 828 K N 0.915 121.317 120.400 0.003 0.000 2.063 828 K HA -0.262 4.060 4.320 0.003 0.000 0.208 828 K C 1.940 178.559 176.600 0.032 0.000 1.048 828 K CA 1.914 58.229 56.287 0.046 0.000 0.928 828 K CB -0.075 32.437 32.500 0.020 0.000 0.713 828 K HN 0.377 nan 8.250 nan 0.000 0.442 829 E N -0.232 119.948 120.200 -0.033 0.000 1.999 829 E HA -0.200 4.152 4.350 0.003 0.000 0.194 829 E C 1.605 178.234 176.600 0.048 0.000 0.995 829 E CA 1.071 57.473 56.400 0.003 0.000 0.825 829 E CB -0.340 29.345 29.700 -0.025 0.000 0.777 829 E HN 0.294 nan 8.360 nan 0.000 0.459 830 F N 0.486 120.280 119.950 -0.260 0.000 2.269 830 F HA -0.217 4.312 4.527 0.003 0.000 0.300 830 F C 0.362 176.127 175.800 -0.059 0.000 1.035 830 F CA 1.330 59.154 58.000 -0.294 0.000 1.373 830 F CB -0.173 38.426 39.000 -0.669 0.000 1.094 830 F HN 0.057 nan 8.300 nan 0.000 0.535 831 F N 0.377 120.319 119.950 -0.013 0.000 2.627 831 F HA 0.313 4.843 4.527 0.003 0.000 0.329 831 F C 0.050 175.809 175.800 -0.068 0.000 1.378 831 F CA -0.254 57.681 58.000 -0.109 0.000 1.134 831 F CB -0.094 38.894 39.000 -0.021 0.000 1.229 831 F HN -0.141 nan 8.300 nan 0.000 0.537 832 S N -0.572 115.189 115.700 0.102 0.000 2.611 832 S HA 0.330 4.802 4.470 0.003 0.000 0.270 832 S C -0.942 173.672 174.600 0.024 0.000 1.131 832 S CA -0.999 57.233 58.200 0.054 0.000 0.826 832 S CB 2.287 65.528 63.200 0.069 0.000 1.095 832 S HN 0.386 nan 8.310 nan 0.000 0.461 833 Q N -0.330 119.477 119.800 0.011 0.000 0.510 833 Q HA -0.042 4.300 4.340 0.003 0.000 0.336 833 Q C 0.659 176.657 176.000 -0.004 0.000 1.081 833 Q CA 2.249 58.055 55.803 0.004 0.000 0.304 833 Q CB -1.472 27.273 28.738 0.013 0.000 5.529 833 Q HN 2.506 nan 8.270 nan 0.000 0.334 834 G N 0.407 109.204 108.800 -0.006 0.000 2.039 834 G HA2 -0.223 3.740 3.960 0.003 0.000 0.207 834 G HA3 -0.223 3.740 3.960 0.003 0.000 0.207 834 G C -0.212 174.679 174.900 -0.015 0.000 1.133 834 G CA 0.981 46.075 45.100 -0.011 0.000 1.296 834 G HN 0.905 nan 8.290 nan 0.000 0.459 835 D N 0.493 120.882 120.400 -0.018 0.000 2.500 835 D HA 0.206 4.848 4.640 0.003 0.000 0.217 835 D C 2.245 178.534 176.300 -0.019 0.000 1.159 835 D CA 0.084 54.073 54.000 -0.019 0.000 0.828 835 D CB 0.582 41.370 40.800 -0.020 0.000 1.039 835 D HN 0.392 nan 8.370 nan 0.000 0.512 836 L N 1.047 122.258 121.223 -0.020 0.000 2.141 836 L HA -0.050 4.292 4.340 0.003 0.000 0.209 836 L C 2.319 179.177 176.870 -0.020 0.000 1.094 836 L CA 0.864 55.691 54.840 -0.023 0.000 0.763 836 L CB -0.220 41.824 42.059 -0.026 0.000 0.908 836 L HN -0.004 nan 8.230 nan 0.000 0.437 837 E N 0.375 120.565 120.200 -0.017 0.000 2.273 837 E HA -0.179 4.173 4.350 0.003 0.000 0.198 837 E C 0.398 176.989 176.600 -0.014 0.000 1.002 837 E CA 0.695 57.087 56.400 -0.014 0.000 0.828 837 E CB -0.141 29.551 29.700 -0.012 0.000 0.747 837 E HN 0.338 nan 8.360 nan 0.000 0.491 838 K N 1.108 121.499 120.400 -0.015 0.000 2.449 838 K HA 0.360 4.682 4.320 0.003 0.000 0.237 838 K C 0.082 176.673 176.600 -0.016 0.000 1.265 838 K CA 0.186 56.465 56.287 -0.015 0.000 1.193 838 K CB -0.253 32.238 32.500 -0.015 0.000 1.515 838 K HN 0.162 nan 8.250 nan 0.000 0.259 849 D N 0.387 120.778 120.400 -0.014 0.000 2.194 849 D HA 0.086 4.728 4.640 0.003 0.000 0.204 849 D C 1.270 177.586 176.300 0.027 0.000 0.964 849 D CA 0.964 54.973 54.000 0.015 0.000 0.846 849 D CB 0.318 41.124 40.800 0.011 0.000 0.962 849 D HN 0.171 nan 8.370 nan 0.000 0.490 850 R N 0.256 120.771 120.500 0.026 0.000 2.356 850 R HA 0.145 4.487 4.340 0.003 0.000 0.234 850 R C 0.491 176.891 176.300 0.167 0.000 0.929 850 R CA 0.314 56.450 56.100 0.059 0.000 1.084 850 R CB 0.466 30.788 30.300 0.037 0.000 1.105 850 R HN 0.001 nan 8.270 nan 0.000 0.515 851 E N -0.859 119.412 120.200 0.118 0.000 2.862 851 E HA 0.007 4.359 4.350 0.003 0.000 0.204 851 E C 0.180 176.809 176.600 0.049 0.000 0.966 851 E CA 0.067 56.530 56.400 0.104 0.000 1.257 851 E CB 1.004 30.565 29.700 -0.233 0.000 1.053 851 E HN 0.172 nan 8.360 nan 0.000 0.487 852 K N 0.297 120.777 120.400 0.133 0.000 2.402 852 K HA 0.303 4.625 4.320 0.003 0.000 0.204 852 K C 1.515 178.196 176.600 0.135 0.000 1.056 852 K CA 0.634 57.022 56.287 0.168 0.000 1.069 852 K CB 0.489 33.063 32.500 0.124 0.000 0.888 852 K HN -0.014 nan 8.250 nan 0.000 0.546 853 A N 0.435 123.317 122.820 0.103 0.000 2.119 853 A HA -0.009 4.313 4.320 0.003 0.000 0.217 853 A C 0.887 178.345 177.584 -0.209 0.000 1.153 853 A CA 0.624 52.601 52.037 -0.100 0.000 0.692 853 A CB -0.547 18.308 19.000 -0.243 0.000 0.799 853 A HN 0.439 nan 8.150 nan 0.000 0.458 854 Y N -0.502 119.811 120.300 0.023 0.000 2.500 854 Y HA 0.172 4.724 4.550 0.003 0.000 0.270 854 Y C 1.909 177.824 175.900 0.025 0.000 1.134 854 Y CA -0.452 57.675 58.100 0.045 0.000 1.293 854 Y CB -0.237 38.267 38.460 0.073 0.000 1.063 854 Y HN 0.187 nan 8.280 nan 0.000 0.534 855 I N 0.877 121.500 120.570 0.088 0.000 2.381 855 I HA -0.235 3.937 4.170 0.003 0.000 0.255 855 I C -0.861 175.101 176.117 -0.259 0.000 1.140 855 I CA 1.463 62.588 61.300 -0.292 0.000 1.404 855 I CB -1.577 36.149 38.000 -0.457 0.000 1.075 855 I HN 0.197 nan 8.210 nan 0.000 0.433 856 P HA -0.095 nan 4.420 nan 0.000 0.214 856 P C 1.474 178.758 177.300 -0.026 0.000 1.167 856 P CA 1.172 64.279 63.100 0.013 0.000 0.882 856 P CB -0.059 31.713 31.700 0.119 0.000 0.777 857 E N 0.161 120.380 120.200 0.032 0.000 2.058 857 E HA -0.172 4.180 4.350 0.003 0.000 0.194 857 E C 2.069 178.714 176.600 0.075 0.000 0.997 857 E CA 1.075 57.512 56.400 0.063 0.000 0.801 857 E CB -1.387 28.370 29.700 0.094 0.000 0.746 857 E HN 0.156 nan 8.360 nan 0.000 0.450 858 L N 0.554 121.846 121.223 0.115 0.000 2.012 858 L HA -0.265 4.077 4.340 0.003 0.000 0.210 858 L C 2.927 179.844 176.870 0.078 0.000 1.073 858 L CA 1.678 56.611 54.840 0.155 0.000 0.748 858 L CB -0.376 41.861 42.059 0.297 0.000 0.891 858 L HN 0.185 nan 8.230 nan 0.000 0.431 859 Q N 0.160 119.921 119.800 -0.065 0.000 2.016 859 Q HA -0.176 4.166 4.340 0.003 0.000 0.200 859 Q C 2.119 177.995 176.000 -0.206 0.000 0.978 859 Q CA 1.709 57.352 55.803 -0.267 0.000 0.833 859 Q CB -0.197 27.938 28.738 -1.006 0.000 0.895 859 Q HN 0.331 nan 8.270 nan 0.000 0.427 860 I N 0.036 120.498 120.570 -0.180 0.000 2.087 860 I HA -0.331 3.841 4.170 0.003 0.000 0.240 860 I C 2.341 178.483 176.117 0.042 0.000 1.054 860 I CA 1.903 63.181 61.300 -0.037 0.000 1.311 860 I CB -1.447 36.573 38.000 0.034 0.000 1.024 860 I HN 0.316 nan 8.210 nan 0.000 0.402 861 S N 0.578 116.330 115.700 0.088 0.000 2.387 861 S HA -0.248 4.224 4.470 0.003 0.000 0.230 861 S C 2.053 176.776 174.600 0.205 0.000 1.035 861 S CA 1.474 59.769 58.200 0.159 0.000 1.014 861 S CB -0.512 62.765 63.200 0.128 0.000 0.836 861 S HN 0.375 nan 8.310 nan 0.000 0.466 862 F N 2.356 122.301 119.950 -0.007 0.000 2.031 862 F HA -0.064 4.465 4.527 0.003 0.000 0.295 862 F C 2.155 177.947 175.800 -0.014 0.000 1.133 862 F CA 2.023 60.007 58.000 -0.025 0.000 1.188 862 F CB -0.958 37.991 39.000 -0.084 0.000 0.974 862 F HN 0.218 nan 8.300 nan 0.000 0.473 863 M N 0.205 119.732 119.600 -0.122 0.000 2.163 863 M HA -0.267 4.215 4.480 0.003 0.000 0.258 863 M C 2.076 178.269 176.300 -0.177 0.000 1.071 863 M CA 2.201 57.358 55.300 -0.239 0.000 1.093 863 M CB -1.087 31.463 32.600 -0.084 0.000 1.285 863 M HN 0.158 nan 8.290 nan 0.000 0.420 864 E N -0.322 119.836 120.200 -0.069 0.000 2.097 864 E HA -0.237 4.115 4.350 0.003 0.000 0.196 864 E C 1.784 178.284 176.600 -0.167 0.000 1.000 864 E CA 1.917 58.270 56.400 -0.078 0.000 0.804 864 E CB -0.554 29.135 29.700 -0.019 0.000 0.740 864 E HN 0.688 nan 8.360 nan 0.000 0.454 865 H N -1.259 117.754 119.070 -0.095 0.000 2.520 865 H HA 0.122 4.680 4.556 0.003 0.000 0.279 865 H C 1.620 176.839 175.328 -0.182 0.000 0.990 865 H CA 0.563 56.548 56.048 -0.106 0.000 1.288 865 H CB 0.575 30.313 29.762 -0.041 0.000 1.446 865 H HN 0.047 nan 8.280 nan 0.000 0.538 866 I N -1.489 118.979 120.570 -0.169 0.000 3.674 866 I HA 0.169 4.341 4.170 0.003 0.000 0.248 866 I C 2.265 178.131 176.117 -0.419 0.000 1.134 866 I CA 0.947 62.074 61.300 -0.287 0.000 1.519 866 I CB -1.065 36.748 38.000 -0.311 0.000 1.598 866 I HN 0.145 nan 8.210 nan 0.000 0.442 867 A N 1.186 123.598 122.820 -0.680 0.000 1.908 867 A HA -0.187 4.135 4.320 0.003 0.000 0.218 867 A C 2.316 179.789 177.584 -0.185 0.000 1.181 867 A CA 1.901 53.639 52.037 -0.498 0.000 0.627 867 A CB -0.535 18.120 19.000 -0.575 0.000 0.818 867 A HN 0.381 nan 8.150 nan 0.000 0.445 868 M N -1.073 118.425 119.600 -0.170 0.000 2.160 868 M HA -0.031 4.452 4.480 0.003 0.000 0.264 868 M C -0.816 175.489 176.300 0.009 0.000 1.073 868 M CA 1.170 56.412 55.300 -0.097 0.000 1.142 868 M CB -1.099 31.413 32.600 -0.148 0.000 1.358 868 M HN 0.110 nan 8.290 nan 0.000 0.422 869 P HA -0.111 nan 4.420 nan 0.000 0.224 869 P C 1.111 178.499 177.300 0.147 0.000 1.142 869 P CA 1.316 64.463 63.100 0.079 0.000 0.778 869 P CB -0.211 31.424 31.700 -0.107 0.000 0.764 870 I N -2.884 117.663 120.570 -0.038 0.000 2.364 870 I HA -0.148 4.024 4.170 0.003 0.000 0.241 870 I C 1.994 177.980 176.117 -0.218 0.000 1.082 870 I CA 0.860 62.051 61.300 -0.181 0.000 1.401 870 I CB -0.535 37.126 38.000 -0.565 0.000 1.126 870 I HN -0.144 nan 8.210 nan 0.000 0.429 871 Y N 1.020 121.341 120.300 0.035 0.000 2.483 871 Y HA -0.225 4.327 4.550 0.003 0.000 0.291 871 Y C 2.394 178.479 175.900 0.308 0.000 1.143 871 Y CA 0.850 59.007 58.100 0.094 0.000 1.289 871 Y CB -0.324 38.120 38.460 -0.026 0.000 0.983 871 Y HN 0.058 nan 8.280 nan 0.000 0.556 872 K N 1.151 121.829 120.400 0.464 0.000 1.984 872 K HA -0.116 4.206 4.320 0.003 0.000 0.209 872 K C 1.783 178.493 176.600 0.182 0.000 1.046 872 K CA 1.422 57.950 56.287 0.401 0.000 0.934 872 K CB -0.834 31.874 32.500 0.347 0.000 0.717 872 K HN 0.294 nan 8.250 nan 0.000 0.438 873 L N 0.410 121.724 121.223 0.153 0.000 2.013 873 L HA -0.207 4.135 4.340 0.003 0.000 0.212 873 L C 2.513 179.449 176.870 0.110 0.000 1.073 873 L CA 1.344 56.240 54.840 0.093 0.000 0.753 873 L CB -0.540 41.573 42.059 0.090 0.000 0.890 873 L HN 0.248 nan 8.230 nan 0.000 0.432 874 L N -0.055 121.247 121.223 0.133 0.000 2.129 874 L HA -0.271 4.071 4.340 0.003 0.000 0.212 874 L C 2.537 179.574 176.870 0.278 0.000 1.087 874 L CA 1.665 56.629 54.840 0.207 0.000 0.757 874 L CB -0.325 41.816 42.059 0.136 0.000 0.896 874 L HN 0.518 nan 8.230 nan 0.000 0.434 875 Q N -1.196 118.719 119.800 0.192 0.000 2.360 875 Q HA -0.108 4.234 4.340 0.003 0.000 0.202 875 Q C 0.426 176.462 176.000 0.060 0.000 0.915 875 Q CA 0.380 56.267 55.803 0.140 0.000 0.943 875 Q CB 0.362 29.168 28.738 0.113 0.000 1.064 875 Q HN 0.371 nan 8.270 nan 0.000 0.511 876 D N -0.146 120.281 120.400 0.044 0.000 2.349 876 D HA 0.137 4.779 4.640 0.003 0.000 0.214 876 D C 0.886 177.149 176.300 -0.062 0.000 1.063 876 D CA 0.300 54.292 54.000 -0.013 0.000 0.847 876 D CB 0.633 41.426 40.800 -0.012 0.000 0.933 876 D HN 0.303 nan 8.370 nan 0.000 0.513 877 L N -2.044 119.118 121.223 -0.102 0.000 2.758 877 L HA 0.290 4.632 4.340 0.003 0.000 0.234 877 L C -0.188 176.279 176.870 -0.672 0.000 1.049 877 L CA 0.076 54.667 54.840 -0.414 0.000 0.908 877 L CB 0.444 42.136 42.059 -0.612 0.000 1.362 877 L HN -0.233 nan 8.230 nan 0.000 0.499 878 F N 0.567 120.488 119.950 -0.049 0.000 2.445 878 F HA 0.437 4.966 4.527 0.003 0.000 0.348 878 F C -2.013 173.789 175.800 0.003 0.000 1.125 878 F CA -1.823 56.150 58.000 -0.044 0.000 0.983 878 F CB 1.079 40.009 39.000 -0.117 0.000 1.198 878 F HN -0.277 nan 8.300 nan 0.000 0.436 879 P HA -0.015 nan 4.420 nan 0.000 0.231 879 P C 1.032 178.406 177.300 0.123 0.000 1.168 879 P CA 0.917 64.076 63.100 0.097 0.000 0.779 879 P CB 0.239 31.975 31.700 0.060 0.000 0.844 880 K N -0.168 120.329 120.400 0.162 0.000 2.362 880 K HA 0.061 4.383 4.320 0.003 0.000 0.200 880 K C 1.573 178.299 176.600 0.210 0.000 1.046 880 K CA 0.894 57.282 56.287 0.168 0.000 0.952 880 K CB -0.258 32.337 32.500 0.158 0.000 0.753 880 K HN 0.043 nan 8.250 nan 0.000 0.466 881 A N 0.613 123.546 122.820 0.189 0.000 2.327 881 A HA 0.257 4.579 4.320 0.003 0.000 0.228 881 A C 1.820 179.456 177.584 0.086 0.000 1.275 881 A CA 0.506 52.612 52.037 0.116 0.000 0.875 881 A CB -0.234 18.845 19.000 0.131 0.000 0.925 881 A HN 0.251 nan 8.150 nan 0.000 0.493 882 A N 0.160 123.040 122.820 0.099 0.000 1.970 882 A HA -0.069 4.253 4.320 0.003 0.000 0.216 882 A C 1.880 179.521 177.584 0.096 0.000 1.170 882 A CA 1.302 53.398 52.037 0.098 0.000 0.645 882 A CB -0.353 18.687 19.000 0.066 0.000 0.816 882 A HN 0.644 nan 8.150 nan 0.000 0.447 883 E N 0.436 120.673 120.200 0.062 0.000 2.209 883 E HA -0.204 4.148 4.350 0.003 0.000 0.196 883 E C 1.701 178.280 176.600 -0.034 0.000 0.993 883 E CA 1.365 57.790 56.400 0.042 0.000 0.819 883 E CB -0.277 29.475 29.700 0.086 0.000 0.745 883 E HN 0.682 nan 8.360 nan 0.000 0.477 884 L N -0.443 120.699 121.223 -0.136 0.000 2.044 884 L HA -0.095 4.247 4.340 0.003 0.000 0.205 884 L C 2.588 179.375 176.870 -0.139 0.000 1.075 884 L CA 1.246 55.943 54.840 -0.238 0.000 0.747 884 L CB -0.973 40.890 42.059 -0.326 0.000 0.903 884 L HN 0.166 nan 8.230 nan 0.000 0.435 885 Y N 1.980 122.245 120.300 -0.059 0.000 2.030 885 Y HA -0.366 4.186 4.550 0.003 0.000 0.274 885 Y C 2.696 178.589 175.900 -0.010 0.000 1.153 885 Y CA 2.325 60.436 58.100 0.018 0.000 1.115 885 Y CB -0.279 38.221 38.460 0.066 0.000 0.969 885 Y HN 0.301 nan 8.280 nan 0.000 0.488 886 E N -0.383 120.034 120.200 0.361 0.000 2.219 886 E HA -0.272 4.080 4.350 0.003 0.000 0.198 886 E C 2.172 178.805 176.600 0.054 0.000 0.998 886 E CA 1.202 57.742 56.400 0.233 0.000 0.818 886 E CB -0.382 29.430 29.700 0.187 0.000 0.741 886 E HN 0.336 nan 8.360 nan 0.000 0.477 887 R N 0.849 121.342 120.500 -0.013 0.000 2.090 887 R HA -0.013 4.329 4.340 0.003 0.000 0.228 887 R C 2.269 178.522 176.300 -0.079 0.000 1.110 887 R CA 0.875 56.951 56.100 -0.040 0.000 0.973 887 R CB -0.268 29.981 30.300 -0.085 0.000 0.869 887 R HN 0.200 nan 8.270 nan 0.000 0.440 888 V N 0.650 120.447 119.914 -0.195 0.000 2.323 888 V HA -0.128 3.994 4.120 0.003 0.000 0.244 888 V C 2.447 178.446 176.094 -0.158 0.000 1.041 888 V CA 1.677 63.845 62.300 -0.220 0.000 1.025 888 V CB -0.718 30.890 31.823 -0.359 0.000 0.656 888 V HN 0.299 nan 8.190 nan 0.000 0.451 889 A N 0.021 122.686 122.820 -0.258 0.000 2.019 889 A HA -0.215 4.107 4.320 0.003 0.000 0.219 889 A C 2.539 180.125 177.584 0.004 0.000 1.164 889 A CA 2.196 54.149 52.037 -0.140 0.000 0.644 889 A CB -0.561 18.400 19.000 -0.064 0.000 0.805 889 A HN 0.598 nan 8.150 nan 0.000 0.449 890 S N 0.288 116.008 115.700 0.033 0.000 2.325 890 S HA -0.166 4.306 4.470 0.003 0.000 0.214 890 S C 1.860 176.568 174.600 0.180 0.000 1.031 890 S CA 1.324 59.575 58.200 0.085 0.000 0.972 890 S CB -0.641 62.620 63.200 0.102 0.000 0.908 890 S HN 0.499 nan 8.310 nan 0.000 0.453 891 N N 1.722 120.547 118.700 0.208 0.000 2.184 891 N HA -0.100 4.642 4.740 0.003 0.000 0.190 891 N C 1.860 177.594 175.510 0.374 0.000 1.011 891 N CA 0.890 54.113 53.050 0.289 0.000 0.867 891 N CB -0.687 37.978 38.487 0.298 0.000 0.993 891 N HN 0.398 nan 8.380 nan 0.000 0.433 892 R N 1.178 121.839 120.500 0.270 0.000 2.081 892 R HA -0.122 4.220 4.340 0.003 0.000 0.235 892 R C 1.634 178.050 176.300 0.195 0.000 1.131 892 R CA 1.337 57.592 56.100 0.257 0.000 0.960 892 R CB -0.274 30.087 30.300 0.101 0.000 0.856 892 R HN 0.186 nan 8.270 nan 0.000 0.436 893 E N -0.596 119.651 120.200 0.079 0.000 2.150 893 E HA -0.138 4.215 4.350 0.003 0.000 0.193 893 E C 1.744 178.241 176.600 -0.171 0.000 0.985 893 E CA 1.384 57.762 56.400 -0.038 0.000 0.814 893 E CB -0.128 29.523 29.700 -0.081 0.000 0.752 893 E HN 0.471 nan 8.360 nan 0.000 0.466 894 H N -1.740 117.098 119.070 -0.386 0.000 2.321 894 H HA -0.067 4.491 4.556 0.003 0.000 0.300 894 H C 1.427 176.373 175.328 -0.637 0.000 1.087 894 H CA 2.043 57.585 56.048 -0.843 0.000 1.319 894 H CB -0.303 28.317 29.762 -1.903 0.000 1.379 894 H HN 0.261 nan 8.280 nan 0.000 0.501 895 W N 0.209 121.414 121.300 -0.158 0.000 2.363 895 W HA -0.186 4.476 4.660 0.003 0.000 0.296 895 W C 2.579 179.051 176.519 -0.078 0.000 1.212 895 W CA 1.299 58.671 57.345 0.046 0.000 1.260 895 W CB -0.329 29.227 29.460 0.161 0.000 1.131 895 W HN 0.059 nan 8.180 nan 0.000 0.530 896 T N 0.321 114.930 114.554 0.092 0.000 2.746 896 T HA -0.205 4.147 4.350 0.003 0.000 0.267 896 T C 1.614 176.041 174.700 -0.455 0.000 1.039 896 T CA 1.643 63.686 62.100 -0.096 0.000 1.142 896 T CB -0.121 68.712 68.868 -0.059 0.000 0.866 896 T HN 0.138 nan 8.240 nan 0.000 0.444 897 K N 0.869 121.028 120.400 -0.403 0.000 2.025 897 K HA -0.035 4.287 4.320 0.003 0.000 0.207 897 K C 2.263 178.680 176.600 -0.305 0.000 1.049 897 K CA 1.388 57.387 56.287 -0.479 0.000 0.933 897 K CB -0.441 31.914 32.500 -0.241 0.000 0.714 897 K HN 0.353 nan 8.250 nan 0.000 0.438 898 V N 0.061 119.896 119.914 -0.131 0.000 3.026 898 V HA -0.183 3.939 4.120 0.003 0.000 0.265 898 V C 2.091 178.198 176.094 0.023 0.000 1.121 898 V CA 1.909 64.213 62.300 0.007 0.000 1.142 898 V CB -0.813 31.086 31.823 0.127 0.000 0.730 898 V HN 0.307 nan 8.190 nan 0.000 0.503 899 S N -0.798 114.864 115.700 -0.063 0.000 2.503 899 S HA -0.060 4.412 4.470 0.003 0.000 0.217 899 S C 1.810 176.417 174.600 0.013 0.000 0.999 899 S CA 0.342 58.528 58.200 -0.023 0.000 0.914 899 S CB -0.617 62.568 63.200 -0.024 0.000 0.782 899 S HN 0.656 nan 8.310 nan 0.000 0.520 900 H N 2.534 121.619 119.070 0.026 0.000 2.421 900 H HA 0.155 4.714 4.556 0.003 0.000 0.298 900 H C 1.813 177.141 175.328 0.001 0.000 1.087 900 H CA 1.268 57.320 56.048 0.007 0.000 1.330 900 H CB -0.479 29.281 29.762 -0.004 0.000 1.388 900 H HN 0.456 nan 8.280 nan 0.000 0.526 901 L N 0.191 121.483 121.223 0.115 0.000 2.622 901 L HA 0.032 4.374 4.340 0.003 0.000 0.233 901 L C 0.858 177.747 176.870 0.032 0.000 1.156 901 L CA 0.089 54.965 54.840 0.060 0.000 0.866 901 L CB -0.188 41.896 42.059 0.042 0.000 0.980 901 L HN -0.059 nan 8.230 nan 0.000 0.448 902 V N 1.589 121.523 119.914 0.033 0.000 2.432 902 V HA 0.311 4.433 4.120 0.003 0.000 0.275 902 V C -1.630 174.464 176.094 -0.000 0.000 1.043 902 V CA -1.710 60.586 62.300 -0.007 0.000 0.925 902 V CB 1.466 33.267 31.823 -0.037 0.000 0.985 902 V HN 0.040 nan 8.190 nan 0.000 0.466 903 P HA 0.194 nan 4.420 nan 0.000 0.271 903 P C -0.504 176.787 177.300 -0.015 0.000 1.228 903 P CA 0.230 63.319 63.100 -0.019 0.000 0.797 903 P CB 0.395 32.073 31.700 -0.035 0.000 0.914 904 R N 0.000 120.496 120.500 -0.007 0.000 2.786 904 R HA 0.000 4.342 4.340 0.003 0.000 0.208 904 R CA 0.000 56.100 56.100 0.001 0.000 0.921 904 R CB 0.000 30.305 30.300 0.008 0.000 0.687 904 R HN 0.000 nan 8.270 nan 0.000 0.535