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 3fg0_1_A DATA FIRST_RESID -3 DATA SEQUENCE QSNAMELLKH LSQRQYIDGE WVESANKNTR DIINPYNQEV IFTVSEGTKE DATA SEQUENCE DAERAILAAR RAFESGEWSQ ETAETRGKKV RAIADKIKEH REALARLETL DATA SEQUENCE DTGKTLEESY ADMDDIHNVF MYFAGLADKD GGEMIDSPIP DTESKIVKEP DATA SEQUENCE VGVVTQITPW NYPLLQASWK IAPALATGCS LVMKPSEITP LTTIRVFELM DATA SEQUENCE EEVGFPKGTI NLILGAGSEV GDVMSGHKEV DLVSFTGGIE TGKHIMKNAA DATA SEQUENCE NNVTNIALEL GGKNPNIIFD DADFELAVDQ ALNGGYFHAG QVCSAGSRIL DATA SEQUENCE VQNSIKDKFE QALIDRVKKI KLGNGFDADT EMGPVISTEH RNKIESYMDV DATA SEQUENCE AKAEGATIAV GGKRPDRDDL KDGLFFEPTV ITNCDTSMRI VQEEVFGPVV DATA SEQUENCE TVEGFETEQE AIQLANDSIY GLAGAVFSKD IGKAQRVANK LKLGTVWIND DATA SEQUENCE FHPYFAQAPW GGYKQSGIGR ELGKEGLEEY LVSKHILTNT NPQLVNWFSK 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 -3 Q HA 0.000 nan 4.340 nan 0.000 0.214 -3 Q C 0.000 175.686 176.000 -0.524 0.000 1.003 -3 Q CA 0.000 55.094 55.803 -1.182 0.000 1.022 -3 Q CB 0.000 28.085 28.738 -1.087 0.000 1.108 -2 S N 0.129 115.649 115.700 -0.301 0.000 2.461 -2 S HA 0.017 4.486 4.470 -0.001 0.000 0.228 -2 S C 1.100 175.625 174.600 -0.126 0.000 1.005 -2 S CA 1.263 59.365 58.200 -0.163 0.000 0.942 -2 S CB -0.112 63.025 63.200 -0.104 0.000 0.776 -2 S HN 0.386 nan 8.310 nan 0.000 0.514 -1 N N 2.360 120.976 118.700 -0.139 0.000 2.354 -1 N HA 0.282 5.021 4.740 -0.001 0.000 0.179 -1 N C 1.790 177.257 175.510 -0.073 0.000 1.021 -1 N CA 1.128 54.130 53.050 -0.081 0.000 0.887 -1 N CB -0.614 37.838 38.487 -0.058 0.000 0.974 -1 N HN 0.580 nan 8.380 nan 0.000 0.437 0 A N 0.476 123.218 122.820 -0.129 0.000 1.968 0 A HA -0.020 4.299 4.320 -0.001 0.000 0.217 0 A C 2.000 179.543 177.584 -0.068 0.000 1.169 0 A CA 0.941 52.932 52.037 -0.076 0.000 0.638 0 A CB -0.243 18.716 19.000 -0.067 0.000 0.812 0 A HN 0.072 nan 8.150 nan 0.000 0.446 1 M N -0.230 119.315 119.600 -0.091 0.000 2.132 1 M HA -0.093 4.386 4.480 -0.001 0.000 0.263 1 M C 1.839 178.113 176.300 -0.042 0.000 1.065 1 M CA 1.293 56.560 55.300 -0.055 0.000 1.122 1 M CB -1.426 31.143 32.600 -0.051 0.000 1.365 1 M HN 0.512 nan 8.290 nan 0.000 0.411 2 E N 0.311 120.485 120.200 -0.042 0.000 2.153 2 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 2 E C 2.153 178.748 176.600 -0.009 0.000 0.988 2 E CA 0.809 57.193 56.400 -0.027 0.000 0.811 2 E CB -0.211 29.482 29.700 -0.011 0.000 0.746 2 E HN 0.464 nan 8.360 nan 0.000 0.466 3 L N 0.634 121.854 121.223 -0.004 0.000 2.042 3 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 3 L C 2.415 179.267 176.870 -0.031 0.000 1.076 3 L CA 0.990 55.838 54.840 0.014 0.000 0.749 3 L CB -0.393 41.657 42.059 -0.014 0.000 0.893 3 L HN 0.203 nan 8.230 nan 0.000 0.432 4 L N 0.338 121.505 121.223 -0.093 0.000 2.353 4 L HA -0.198 4.141 4.340 -0.001 0.000 0.220 4 L C 2.573 179.433 176.870 -0.017 0.000 1.133 4 L CA 1.049 55.789 54.840 -0.166 0.000 0.798 4 L CB -0.511 41.446 42.059 -0.171 0.000 0.922 4 L HN 0.418 nan 8.230 nan 0.000 0.445 5 K N -1.145 119.211 120.400 -0.074 0.000 2.442 5 K HA -0.139 4.180 4.320 -0.001 0.000 0.198 5 K C 1.011 177.417 176.600 -0.325 0.000 1.042 5 K CA 1.119 57.295 56.287 -0.184 0.000 0.958 5 K CB -0.092 32.232 32.500 -0.295 0.000 0.766 5 K HN 0.459 nan 8.250 nan 0.000 0.474 6 H N -0.126 118.944 119.070 0.000 0.000 2.893 6 H HA 0.182 4.737 4.556 -0.001 0.000 0.270 6 H C -0.221 175.074 175.328 -0.054 0.000 1.095 6 H CA -0.614 55.419 56.048 -0.026 0.000 1.186 6 H CB 0.502 30.239 29.762 -0.041 0.000 1.562 6 H HN 0.075 nan 8.280 nan 0.000 0.536 7 L N 2.069 123.318 121.223 0.043 0.000 2.371 7 L HA 0.210 4.549 4.340 -0.001 0.000 0.272 7 L C 0.343 177.248 176.870 0.059 0.000 1.124 7 L CA -0.036 54.787 54.840 -0.028 0.000 0.816 7 L CB 1.159 43.096 42.059 -0.203 0.000 1.129 7 L HN -0.105 nan 8.230 nan 0.000 0.448 8 S N 2.793 118.409 115.700 -0.140 0.000 2.579 8 S HA 0.129 4.599 4.470 -0.001 0.000 0.275 8 S C 0.536 175.188 174.600 0.087 0.000 1.345 8 S CA -0.284 57.774 58.200 -0.236 0.000 1.031 8 S CB 0.611 63.273 63.200 -0.897 0.000 0.892 8 S HN 0.719 nan 8.310 nan 0.000 0.529 9 Q N 0.284 120.113 119.800 0.049 0.000 2.194 9 Q HA 0.226 4.565 4.340 -0.001 0.000 0.214 9 Q C 0.182 176.239 176.000 0.095 0.000 0.838 9 Q CA 0.070 55.904 55.803 0.052 0.000 0.972 9 Q CB 0.687 29.317 28.738 -0.180 0.000 1.131 9 Q HN 0.432 nan 8.270 nan 0.000 0.498 10 R N 0.033 120.649 120.500 0.192 0.000 2.923 10 R HA 0.385 4.724 4.340 -0.001 0.000 0.252 10 R C -0.282 176.264 176.300 0.409 0.000 1.130 10 R CA -0.647 55.621 56.100 0.280 0.000 1.043 10 R CB 1.232 31.724 30.300 0.320 0.000 1.205 10 R HN 0.053 nan 8.270 nan 0.000 0.495 11 Q N 0.245 120.194 119.800 0.248 0.000 2.396 11 Q HA 0.137 4.476 4.340 -0.001 0.000 0.221 11 Q C -1.209 174.825 176.000 0.057 0.000 1.025 11 Q CA 0.023 55.895 55.803 0.115 0.000 0.946 11 Q CB 0.665 29.412 28.738 0.015 0.000 1.224 11 Q HN 0.423 nan 8.270 nan 0.000 0.539 12 Y N 1.136 121.201 120.300 -0.392 0.000 2.349 12 Y HA 0.470 5.019 4.550 -0.001 0.000 0.324 12 Y C -1.460 174.218 175.900 -0.371 0.000 1.005 12 Y CA -0.555 57.158 58.100 -0.645 0.000 1.240 12 Y CB 0.626 38.418 38.460 -1.113 0.000 1.117 12 Y HN 0.426 nan 8.280 nan 0.000 0.463 13 I N 5.456 125.684 120.570 -0.569 0.000 2.499 13 I HA 0.228 4.398 4.170 -0.001 0.000 0.288 13 I C -0.560 175.291 176.117 -0.443 0.000 1.048 13 I CA -0.972 60.094 61.300 -0.390 0.000 1.062 13 I CB 1.898 39.770 38.000 -0.214 0.000 1.238 13 I HN 0.555 nan 8.210 nan 0.000 0.426 14 D N 5.236 125.426 120.400 -0.350 0.000 2.689 14 D HA -0.184 4.455 4.640 -0.001 0.000 0.237 14 D C 1.069 177.170 176.300 -0.333 0.000 1.148 14 D CA 1.759 55.606 54.000 -0.254 0.000 0.656 14 D CB -0.668 40.039 40.800 -0.154 0.000 1.050 14 D HN 1.146 nan 8.370 nan 0.000 0.426 15 G N -0.563 107.889 108.800 -0.579 0.000 2.162 15 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.260 15 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.260 15 G C -0.103 174.503 174.900 -0.490 0.000 0.976 15 G CA 0.586 45.405 45.100 -0.468 0.000 0.655 15 G HN 0.493 nan 8.290 nan 0.000 0.533 16 E N -1.172 118.600 120.200 -0.713 0.000 2.314 16 E HA 0.437 4.786 4.350 -0.001 0.000 0.272 16 E C -0.755 175.663 176.600 -0.304 0.000 0.884 16 E CA -0.993 55.228 56.400 -0.299 0.000 0.753 16 E CB 0.879 30.512 29.700 -0.112 0.000 1.213 16 E HN 0.258 nan 8.360 nan 0.000 0.432 17 W N 2.222 123.601 121.300 0.132 0.000 2.304 17 W HA 0.341 5.000 4.660 -0.001 0.000 0.313 17 W C 0.389 176.944 176.519 0.060 0.000 1.323 17 W CA -0.219 57.233 57.345 0.177 0.000 1.223 17 W CB 0.665 30.244 29.460 0.198 0.000 1.237 17 W HN 0.190 nan 8.180 nan 0.000 0.535 18 V N 0.265 120.311 119.914 0.221 0.000 2.971 18 V HA 0.498 4.617 4.120 -0.001 0.000 0.309 18 V C -0.251 175.905 176.094 0.103 0.000 1.130 18 V CA -1.617 60.751 62.300 0.112 0.000 0.964 18 V CB 1.613 33.448 31.823 0.020 0.000 1.029 18 V HN 0.579 nan 8.190 nan 0.000 0.427 19 E N 1.188 121.430 120.200 0.071 0.000 2.405 19 E HA 0.366 4.715 4.350 -0.001 0.000 0.253 19 E C 0.142 176.761 176.600 0.031 0.000 1.257 19 E CA -0.272 56.159 56.400 0.051 0.000 0.960 19 E CB 0.819 30.539 29.700 0.033 0.000 1.077 19 E HN 0.871 nan 8.360 nan 0.000 0.512 20 S N -0.397 115.316 115.700 0.022 0.000 2.576 20 S HA 0.169 4.638 4.470 -0.001 0.000 0.276 20 S C 0.981 175.586 174.600 0.008 0.000 1.339 20 S CA 0.145 58.353 58.200 0.013 0.000 1.039 20 S CB 1.025 64.231 63.200 0.010 0.000 0.902 20 S HN 0.563 nan 8.310 nan 0.000 0.516 21 A N 3.966 126.789 122.820 0.004 0.000 1.986 21 A HA -0.162 4.157 4.320 -0.001 0.000 0.220 21 A C 1.605 179.192 177.584 0.004 0.000 1.171 21 A CA 2.077 54.116 52.037 0.003 0.000 0.640 21 A CB -0.817 18.183 19.000 0.001 0.000 0.811 21 A HN 0.975 nan 8.150 nan 0.000 0.451 22 N N -1.942 116.760 118.700 0.004 0.000 2.230 22 N HA 0.053 4.792 4.740 -0.001 0.000 0.202 22 N C 0.261 175.772 175.510 0.002 0.000 1.119 22 N CA 0.550 53.602 53.050 0.003 0.000 0.851 22 N CB -0.143 38.346 38.487 0.003 0.000 0.990 22 N HN 0.478 nan 8.380 nan 0.000 0.497 23 K N -1.756 118.646 120.400 0.003 0.000 3.349 23 K HA -0.261 4.059 4.320 -0.001 0.000 0.310 23 K C -0.410 176.188 176.600 -0.003 0.000 1.267 23 K CA 0.803 57.090 56.287 0.001 0.000 0.920 23 K CB -1.832 30.668 32.500 -0.001 0.000 1.240 23 K HN 0.384 nan 8.250 nan 0.000 0.453 24 N N 1.630 120.329 118.700 -0.001 0.000 2.482 24 N HA 0.137 4.876 4.740 -0.001 0.000 0.260 24 N C -0.253 175.253 175.510 -0.006 0.000 1.236 24 N CA 0.895 53.943 53.050 -0.003 0.000 0.938 24 N CB 0.830 39.318 38.487 0.000 0.000 1.128 24 N HN 0.259 nan 8.380 nan 0.000 0.448 25 T N -0.683 113.865 114.554 -0.012 0.000 2.887 25 T HA 0.586 4.935 4.350 -0.001 0.000 0.292 25 T C -0.571 174.121 174.700 -0.012 0.000 1.087 25 T CA -1.034 61.055 62.100 -0.018 0.000 1.009 25 T CB 1.724 70.568 68.868 -0.040 0.000 1.203 25 T HN 0.576 nan 8.240 nan 0.000 0.518 26 R N 0.343 120.836 120.500 -0.011 0.000 2.686 26 R HA 0.484 4.823 4.340 -0.001 0.000 0.283 26 R C -1.688 174.611 176.300 -0.002 0.000 0.978 26 R CA -0.587 55.513 56.100 0.001 0.000 0.897 26 R CB 1.523 31.834 30.300 0.019 0.000 1.192 26 R HN 0.669 nan 8.270 nan 0.000 0.457 27 D N 4.159 124.561 120.400 0.004 0.000 2.249 27 D HA 0.249 4.888 4.640 -0.001 0.000 0.246 27 D C 0.035 176.359 176.300 0.040 0.000 1.114 27 D CA -0.090 53.917 54.000 0.013 0.000 0.854 27 D CB 1.123 41.927 40.800 0.006 0.000 1.132 27 D HN 0.309 nan 8.370 nan 0.000 0.461 28 I N 3.466 124.084 120.570 0.079 0.000 2.353 28 I HA 0.282 4.452 4.170 -0.001 0.000 0.293 28 I C 0.337 176.504 176.117 0.083 0.000 0.992 28 I CA -0.581 60.778 61.300 0.098 0.000 1.268 28 I CB 0.929 39.031 38.000 0.170 0.000 1.387 28 I HN 0.129 nan 8.210 nan 0.000 0.478 29 I N 5.114 125.715 120.570 0.051 0.000 2.607 29 I HA 0.286 4.455 4.170 -0.001 0.000 0.305 29 I C 0.272 176.414 176.117 0.042 0.000 0.995 29 I CA -0.797 60.526 61.300 0.039 0.000 1.148 29 I CB 1.520 39.525 38.000 0.009 0.000 1.323 29 I HN 0.482 nan 8.210 nan 0.000 0.461 30 N N 7.160 125.894 118.700 0.057 0.000 2.414 30 N HA 0.292 5.031 4.740 -0.001 0.000 0.256 30 N C -1.938 173.604 175.510 0.053 0.000 1.029 30 N CA -2.068 51.029 53.050 0.079 0.000 0.948 30 N CB 1.626 40.194 38.487 0.135 0.000 1.102 30 N HN 0.234 nan 8.380 nan 0.000 0.496 31 P HA -0.110 nan 4.420 nan 0.000 0.229 31 P C 1.026 178.293 177.300 -0.055 0.000 1.160 31 P CA 0.662 63.734 63.100 -0.045 0.000 0.777 31 P CB 0.006 31.652 31.700 -0.091 0.000 0.814 32 Y N 3.354 123.618 120.300 -0.060 0.000 2.224 32 Y HA -0.180 4.369 4.550 -0.001 0.000 0.289 32 Y C 1.290 177.260 175.900 0.117 0.000 1.146 32 Y CA 2.269 60.382 58.100 0.020 0.000 1.182 32 Y CB -0.679 37.852 38.460 0.119 0.000 0.983 32 Y HN 0.040 nan 8.280 nan 0.000 0.524 33 N N -1.645 116.960 118.700 -0.158 0.000 2.118 33 N HA 0.052 4.792 4.740 -0.001 0.000 0.226 33 N C -0.123 175.340 175.510 -0.079 0.000 1.305 33 N CA 0.458 53.372 53.050 -0.227 0.000 0.890 33 N CB -0.230 38.164 38.487 -0.155 0.000 1.118 33 N HN 0.411 nan 8.380 nan 0.000 0.511 34 Q N -0.499 119.278 119.800 -0.038 0.000 2.468 34 Q HA -0.214 4.125 4.340 -0.001 0.000 0.256 34 Q C -1.110 174.889 176.000 -0.002 0.000 0.984 34 Q CA 1.115 56.905 55.803 -0.021 0.000 1.110 34 Q CB -1.777 26.942 28.738 -0.030 0.000 1.527 34 Q HN 0.650 nan 8.270 nan 0.000 0.535 35 E N 0.225 120.435 120.200 0.017 0.000 2.313 35 E HA 0.376 4.725 4.350 -0.001 0.000 0.272 35 E C -0.147 176.477 176.600 0.040 0.000 1.038 35 E CA -0.574 55.843 56.400 0.027 0.000 0.863 35 E CB 1.452 31.175 29.700 0.038 0.000 1.060 35 E HN -0.060 nan 8.360 nan 0.000 0.402 36 V N 4.319 124.255 119.914 0.037 0.000 2.479 36 V HA -0.017 4.102 4.120 -0.001 0.000 0.281 36 V C 1.087 177.224 176.094 0.072 0.000 1.031 36 V CA 0.553 62.882 62.300 0.048 0.000 1.038 36 V CB 0.020 31.862 31.823 0.031 0.000 0.981 36 V HN 0.604 nan 8.190 nan 0.000 0.478 37 I N 1.532 122.165 120.570 0.106 0.000 4.035 37 I HA 0.501 4.670 4.170 -0.001 0.000 0.321 37 I C 0.154 176.431 176.117 0.266 0.000 1.289 37 I CA 0.488 61.872 61.300 0.140 0.000 1.236 37 I CB 0.473 38.541 38.000 0.113 0.000 1.076 37 I HN 0.453 nan 8.210 nan 0.000 0.418 38 F N 0.577 120.531 119.950 0.007 0.000 2.719 38 F HA 0.576 5.103 4.527 -0.001 0.000 0.309 38 F C -1.378 174.423 175.800 0.003 0.000 1.138 38 F CA -0.562 57.439 58.000 0.002 0.000 0.943 38 F CB 2.061 41.064 39.000 0.006 0.000 1.304 38 F HN -0.290 nan 8.300 nan 0.000 0.445 39 T N 3.610 117.888 114.554 -0.461 0.000 2.841 39 T HA 0.673 5.022 4.350 -0.001 0.000 0.285 39 T C -1.088 173.377 174.700 -0.393 0.000 0.991 39 T CA -0.589 61.330 62.100 -0.303 0.000 0.966 39 T CB 1.331 70.055 68.868 -0.240 0.000 0.962 39 T HN 0.669 nan 8.240 nan 0.000 0.438 40 V N 0.374 120.207 119.914 -0.135 0.000 3.074 40 V HA 0.797 4.916 4.120 -0.001 0.000 0.314 40 V C 0.168 176.251 176.094 -0.018 0.000 1.117 40 V CA -1.062 61.206 62.300 -0.054 0.000 1.014 40 V CB 1.874 33.751 31.823 0.089 0.000 1.057 40 V HN 0.764 nan 8.190 nan 0.000 0.438 41 S N 1.307 117.014 115.700 0.013 0.000 2.560 41 S HA 0.259 4.728 4.470 -0.001 0.000 0.284 41 S C -0.046 174.569 174.600 0.026 0.000 1.327 41 S CA 0.214 58.426 58.200 0.020 0.000 1.055 41 S CB 0.382 63.608 63.200 0.043 0.000 0.868 41 S HN 0.969 nan 8.310 nan 0.000 0.506 42 E N 1.739 121.948 120.200 0.016 0.000 2.101 42 E HA 0.465 4.814 4.350 -0.001 0.000 0.260 42 E C 0.377 176.986 176.600 0.015 0.000 0.897 42 E CA -0.350 56.061 56.400 0.018 0.000 0.744 42 E CB 0.314 30.021 29.700 0.012 0.000 1.140 42 E HN 0.653 nan 8.360 nan 0.000 0.419 43 G N 2.593 111.402 108.800 0.015 0.000 2.636 43 G HA2 0.317 4.276 3.960 -0.001 0.000 0.246 43 G HA3 0.317 4.276 3.960 -0.001 0.000 0.246 43 G C 0.079 174.984 174.900 0.008 0.000 1.216 43 G CA 0.147 45.253 45.100 0.009 0.000 0.854 43 G HN 0.571 nan 8.290 nan 0.000 0.572 44 T N -2.650 111.907 114.554 0.005 0.000 2.949 44 T HA 0.397 4.746 4.350 -0.001 0.000 0.287 44 T C 1.391 176.096 174.700 0.008 0.000 1.034 44 T CA -0.285 61.819 62.100 0.007 0.000 1.018 44 T CB 1.829 70.701 68.868 0.006 0.000 1.135 44 T HN 0.634 nan 8.240 nan 0.000 0.532 45 K N 0.232 120.640 120.400 0.013 0.000 2.209 45 K HA -0.105 4.214 4.320 -0.001 0.000 0.204 45 K C 1.442 178.053 176.600 0.019 0.000 1.048 45 K CA 1.398 57.697 56.287 0.020 0.000 0.940 45 K CB -0.212 32.304 32.500 0.026 0.000 0.729 45 K HN 0.547 nan 8.250 nan 0.000 0.451 46 E N 1.441 121.649 120.200 0.014 0.000 2.152 46 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 46 E C 1.556 178.154 176.600 -0.003 0.000 0.983 46 E CA 1.209 57.616 56.400 0.011 0.000 0.818 46 E CB -0.095 29.611 29.700 0.010 0.000 0.758 46 E HN 0.345 nan 8.360 nan 0.000 0.467 47 D N 0.361 120.756 120.400 -0.008 0.000 2.097 47 D HA -0.140 4.500 4.640 -0.001 0.000 0.195 47 D C 1.888 178.168 176.300 -0.034 0.000 0.989 47 D CA 1.546 55.533 54.000 -0.022 0.000 0.827 47 D CB -0.354 40.435 40.800 -0.019 0.000 0.966 47 D HN 0.200 nan 8.370 nan 0.000 0.456 48 A N 1.142 123.948 122.820 -0.024 0.000 1.908 48 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 48 A C 2.125 179.673 177.584 -0.061 0.000 1.181 48 A CA 1.998 54.015 52.037 -0.033 0.000 0.627 48 A CB -0.684 18.310 19.000 -0.009 0.000 0.818 48 A HN 0.319 nan 8.150 nan 0.000 0.445 49 E N -0.407 119.769 120.200 -0.040 0.000 2.058 49 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 49 E C 2.284 178.823 176.600 -0.102 0.000 0.997 49 E CA 1.417 57.777 56.400 -0.067 0.000 0.801 49 E CB -0.181 29.542 29.700 0.039 0.000 0.746 49 E HN 0.598 nan 8.360 nan 0.000 0.450 50 R N -0.109 120.355 120.500 -0.059 0.000 2.096 50 R HA -0.120 4.219 4.340 -0.001 0.000 0.235 50 R C 2.269 178.521 176.300 -0.080 0.000 1.127 50 R CA 1.309 57.375 56.100 -0.058 0.000 0.968 50 R CB -0.257 30.016 30.300 -0.045 0.000 0.861 50 R HN 0.230 nan 8.270 nan 0.000 0.440 51 A N 0.798 123.565 122.820 -0.088 0.000 1.898 51 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 51 A C 2.113 179.640 177.584 -0.095 0.000 1.181 51 A CA 1.266 53.249 52.037 -0.090 0.000 0.620 51 A CB -0.445 18.505 19.000 -0.083 0.000 0.819 51 A HN 0.337 nan 8.150 nan 0.000 0.442 52 I N -0.281 120.204 120.570 -0.143 0.000 2.226 52 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 52 I C 2.330 178.349 176.117 -0.163 0.000 1.100 52 I CA 1.093 62.277 61.300 -0.194 0.000 1.374 52 I CB -0.299 37.470 38.000 -0.386 0.000 1.057 52 I HN 0.296 nan 8.210 nan 0.000 0.413 53 L N 0.350 121.481 121.223 -0.154 0.000 2.093 53 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 53 L C 2.839 179.693 176.870 -0.026 0.000 1.085 53 L CA 1.212 56.012 54.840 -0.068 0.000 0.755 53 L CB -0.713 41.324 42.059 -0.037 0.000 0.904 53 L HN 0.239 nan 8.230 nan 0.000 0.435 54 A N 0.102 122.899 122.820 -0.037 0.000 1.898 54 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 54 A C 2.540 180.129 177.584 0.009 0.000 1.181 54 A CA 1.615 53.639 52.037 -0.021 0.000 0.620 54 A CB -0.606 18.363 19.000 -0.052 0.000 0.819 54 A HN 0.388 nan 8.150 nan 0.000 0.442 55 A N -0.109 122.712 122.820 0.002 0.000 1.902 55 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 55 A C 2.180 179.819 177.584 0.093 0.000 1.181 55 A CA 2.126 54.188 52.037 0.042 0.000 0.623 55 A CB -0.426 18.583 19.000 0.014 0.000 0.818 55 A HN 0.471 nan 8.150 nan 0.000 0.443 56 R N 0.127 120.662 120.500 0.058 0.000 2.073 56 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 56 R C 2.274 178.664 176.300 0.150 0.000 1.134 56 R CA 1.995 58.156 56.100 0.100 0.000 0.952 56 R CB -0.698 29.634 30.300 0.054 0.000 0.850 56 R HN 0.519 nan 8.270 nan 0.000 0.433 57 R N -0.213 120.344 120.500 0.095 0.000 2.083 57 R HA -0.122 4.217 4.340 -0.001 0.000 0.237 57 R C 1.997 178.360 176.300 0.104 0.000 1.137 57 R CA 1.773 57.924 56.100 0.085 0.000 0.951 57 R CB -0.503 29.826 30.300 0.049 0.000 0.851 57 R HN 0.343 nan 8.270 nan 0.000 0.434 58 A N 0.482 123.370 122.820 0.114 0.000 1.883 58 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 58 A C 2.015 179.703 177.584 0.173 0.000 1.186 58 A CA 1.434 53.548 52.037 0.129 0.000 0.624 58 A CB -0.870 18.206 19.000 0.127 0.000 0.822 58 A HN 0.511 nan 8.150 nan 0.000 0.444 59 F N 1.008 121.009 119.950 0.085 0.000 2.095 59 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 59 F C 2.280 178.126 175.800 0.076 0.000 1.104 59 F CA 2.215 60.273 58.000 0.097 0.000 1.232 59 F CB -0.045 39.005 39.000 0.083 0.000 0.987 59 F HN 0.236 nan 8.300 nan 0.000 0.475 60 E N -0.017 120.283 120.200 0.166 0.000 2.204 60 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 60 E C 2.420 179.012 176.600 -0.014 0.000 0.989 60 E CA 1.212 57.650 56.400 0.063 0.000 0.824 60 E CB -0.792 28.980 29.700 0.120 0.000 0.756 60 E HN 0.544 nan 8.360 nan 0.000 0.477 61 S N -0.448 115.257 115.700 0.009 0.000 2.423 61 S HA -0.014 4.455 4.470 -0.001 0.000 0.231 61 S C 1.833 176.416 174.600 -0.028 0.000 1.014 61 S CA 1.229 59.432 58.200 0.006 0.000 0.965 61 S CB -0.197 63.023 63.200 0.034 0.000 0.785 61 S HN 0.338 nan 8.310 nan 0.000 0.495 62 G N 1.228 109.980 108.800 -0.080 0.000 2.179 62 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.260 62 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.260 62 G C 0.729 175.608 174.900 -0.036 0.000 0.977 62 G CA 0.447 45.474 45.100 -0.122 0.000 0.641 62 G HN 0.500 nan 8.290 nan 0.000 0.533 63 E N -0.791 119.435 120.200 0.045 0.000 2.130 63 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 63 E C 1.915 178.647 176.600 0.219 0.000 0.998 63 E CA 1.612 58.081 56.400 0.115 0.000 0.806 63 E CB -0.132 29.652 29.700 0.140 0.000 0.738 63 E HN 0.866 nan 8.360 nan 0.000 0.459 64 W N 0.953 122.259 121.300 0.009 0.000 2.699 64 W HA -0.040 4.619 4.660 -0.001 0.000 0.267 64 W C 2.355 178.876 176.519 0.004 0.000 1.182 64 W CA 1.111 58.484 57.345 0.048 0.000 1.453 64 W CB 0.241 29.769 29.460 0.112 0.000 1.054 64 W HN 0.107 nan 8.180 nan 0.000 0.595 65 S N 0.083 115.749 115.700 -0.057 0.000 2.423 65 S HA -0.164 4.306 4.470 -0.001 0.000 0.231 65 S C 1.271 175.724 174.600 -0.246 0.000 1.014 65 S CA 0.936 58.997 58.200 -0.231 0.000 0.965 65 S CB -0.348 62.469 63.200 -0.639 0.000 0.785 65 S HN 0.225 nan 8.310 nan 0.000 0.495 66 Q N 0.594 120.273 119.800 -0.203 0.000 2.247 66 Q HA 0.367 4.706 4.340 -0.001 0.000 0.211 66 Q C 0.132 176.038 176.000 -0.156 0.000 0.861 66 Q CA 0.029 55.736 55.803 -0.160 0.000 0.949 66 Q CB 0.112 28.778 28.738 -0.120 0.000 1.115 66 Q HN 0.679 nan 8.270 nan 0.000 0.507 67 E N 2.119 122.189 120.200 -0.216 0.000 2.422 67 E HA 0.001 4.350 4.350 -0.001 0.000 0.260 67 E C -0.230 176.229 176.600 -0.236 0.000 1.108 67 E CA 0.129 56.393 56.400 -0.227 0.000 0.943 67 E CB 0.621 30.110 29.700 -0.351 0.000 0.961 67 E HN 0.152 nan 8.360 nan 0.000 0.443 68 T N 1.034 115.489 114.554 -0.165 0.000 2.926 68 T HA 0.314 4.663 4.350 -0.001 0.000 0.307 68 T C 1.185 175.785 174.700 -0.168 0.000 1.059 68 T CA -0.112 61.908 62.100 -0.133 0.000 1.122 68 T CB 1.256 70.076 68.868 -0.081 0.000 0.972 68 T HN 0.525 nan 8.240 nan 0.000 0.545 69 A N 1.414 124.158 122.820 -0.127 0.000 1.902 69 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 69 A C 2.314 179.852 177.584 -0.076 0.000 1.181 69 A CA 1.820 53.791 52.037 -0.112 0.000 0.623 69 A CB -1.063 17.897 19.000 -0.067 0.000 0.818 69 A HN 1.056 nan 8.150 nan 0.000 0.443 70 E N -0.754 119.413 120.200 -0.055 0.000 2.058 70 E HA -0.193 4.156 4.350 -0.001 0.000 0.194 70 E C 1.968 178.556 176.600 -0.019 0.000 0.997 70 E CA 1.820 58.203 56.400 -0.029 0.000 0.801 70 E CB -0.182 29.503 29.700 -0.025 0.000 0.746 70 E HN 0.551 nan 8.360 nan 0.000 0.450 71 T N 0.567 115.097 114.554 -0.039 0.000 2.777 71 T HA -0.102 4.248 4.350 -0.001 0.000 0.266 71 T C 1.809 176.521 174.700 0.019 0.000 1.040 71 T CA 1.134 63.225 62.100 -0.014 0.000 1.141 71 T CB -0.170 68.679 68.868 -0.031 0.000 0.868 71 T HN 0.192 nan 8.240 nan 0.000 0.444 72 R N 0.485 120.926 120.500 -0.099 0.000 2.091 72 R HA -0.058 4.281 4.340 -0.001 0.000 0.238 72 R C 2.858 179.272 176.300 0.189 0.000 1.136 72 R CA 1.383 57.461 56.100 -0.037 0.000 0.959 72 R CB -0.769 29.316 30.300 -0.359 0.000 0.856 72 R HN 0.439 nan 8.270 nan 0.000 0.437 73 G N 1.515 110.369 108.800 0.090 0.000 2.418 73 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.217 73 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.217 73 G C 1.243 176.218 174.900 0.126 0.000 1.158 73 G CA 0.584 45.750 45.100 0.110 0.000 0.771 73 G HN 0.267 nan 8.290 nan 0.000 0.545 74 K N 0.352 120.811 120.400 0.099 0.000 2.097 74 K HA -0.023 4.296 4.320 -0.001 0.000 0.206 74 K C 2.512 179.179 176.600 0.111 0.000 1.049 74 K CA 1.053 57.391 56.287 0.085 0.000 0.933 74 K CB -0.094 32.439 32.500 0.054 0.000 0.717 74 K HN 0.201 nan 8.250 nan 0.000 0.442 75 K N 0.549 121.056 120.400 0.178 0.000 2.103 75 K HA -0.057 4.262 4.320 -0.001 0.000 0.204 75 K C 2.074 178.825 176.600 0.252 0.000 1.052 75 K CA 0.915 57.306 56.287 0.173 0.000 0.945 75 K CB -0.000 32.617 32.500 0.196 0.000 0.722 75 K HN -0.050 nan 8.250 nan 0.000 0.443 76 V N 1.408 121.515 119.914 0.322 0.000 2.343 76 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 76 V C 2.401 178.616 176.094 0.201 0.000 1.051 76 V CA 1.649 64.134 62.300 0.309 0.000 1.036 76 V CB -0.506 31.531 31.823 0.356 0.000 0.654 76 V HN 0.306 nan 8.190 nan 0.000 0.451 77 R N 0.276 120.869 120.500 0.155 0.000 2.091 77 R HA -0.175 4.164 4.340 -0.001 0.000 0.238 77 R C 2.283 178.624 176.300 0.069 0.000 1.136 77 R CA 1.661 57.822 56.100 0.102 0.000 0.959 77 R CB -0.456 29.893 30.300 0.081 0.000 0.856 77 R HN 0.499 nan 8.270 nan 0.000 0.437 78 A N 0.710 123.564 122.820 0.056 0.000 1.972 78 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 78 A C 2.091 179.669 177.584 -0.010 0.000 1.169 78 A CA 1.316 53.367 52.037 0.024 0.000 0.635 78 A CB -0.434 18.567 19.000 0.002 0.000 0.810 78 A HN 0.360 nan 8.150 nan 0.000 0.446 79 I N -0.313 120.220 120.570 -0.062 0.000 2.202 79 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 79 I C 2.992 178.947 176.117 -0.269 0.000 1.091 79 I CA 0.984 62.131 61.300 -0.255 0.000 1.368 79 I CB -0.429 37.242 38.000 -0.549 0.000 1.058 79 I HN 0.345 nan 8.210 nan 0.000 0.410 80 A N 0.735 123.468 122.820 -0.145 0.000 1.917 80 A HA -0.273 4.046 4.320 -0.001 0.000 0.219 80 A C 1.945 179.688 177.584 0.264 0.000 1.182 80 A CA 2.314 54.385 52.037 0.057 0.000 0.633 80 A CB -0.672 18.332 19.000 0.007 0.000 0.819 80 A HN 0.367 nan 8.150 nan 0.000 0.448 81 D N -0.496 120.007 120.400 0.172 0.000 2.144 81 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 81 D C 1.910 178.268 176.300 0.096 0.000 0.978 81 D CA 1.263 55.360 54.000 0.162 0.000 0.833 81 D CB -0.236 40.621 40.800 0.096 0.000 0.961 81 D HN 0.517 nan 8.370 nan 0.000 0.470 82 K N 0.157 120.602 120.400 0.076 0.000 2.148 82 K HA -0.036 4.283 4.320 -0.001 0.000 0.204 82 K C 2.024 178.726 176.600 0.170 0.000 1.050 82 K CA 0.364 56.725 56.287 0.124 0.000 0.942 82 K CB 0.198 32.760 32.500 0.103 0.000 0.724 82 K HN 0.091 nan 8.250 nan 0.000 0.446 83 I N 1.708 122.352 120.570 0.124 0.000 2.179 83 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 83 I C 2.343 178.544 176.117 0.140 0.000 1.088 83 I CA 1.548 62.943 61.300 0.158 0.000 1.357 83 I CB -0.819 37.307 38.000 0.209 0.000 1.051 83 I HN 0.197 nan 8.210 nan 0.000 0.409 84 K N 1.091 121.544 120.400 0.088 0.000 2.057 84 K HA -0.222 4.097 4.320 -0.001 0.000 0.206 84 K C 2.112 178.675 176.600 -0.061 0.000 1.050 84 K CA 1.497 57.743 56.287 -0.068 0.000 0.935 84 K CB -0.059 32.248 32.500 -0.321 0.000 0.715 84 K HN 0.285 nan 8.250 nan 0.000 0.439 85 E N -0.316 119.839 120.200 -0.074 0.000 2.110 85 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 85 E C 0.716 177.136 176.600 -0.301 0.000 0.988 85 E CA 1.022 57.298 56.400 -0.206 0.000 0.804 85 E CB 0.099 29.634 29.700 -0.275 0.000 0.745 85 E HN 0.466 nan 8.360 nan 0.000 0.458 86 H N -0.365 118.715 119.070 0.016 0.000 2.487 86 H HA 0.142 4.697 4.556 -0.001 0.000 0.290 86 H C 1.444 176.803 175.328 0.052 0.000 1.081 86 H CA -0.070 55.994 56.048 0.026 0.000 1.116 86 H CB 0.314 30.087 29.762 0.019 0.000 1.560 86 H HN 0.190 nan 8.280 nan 0.000 0.548 87 R N 1.534 122.110 120.500 0.127 0.000 2.096 87 R HA -0.181 4.158 4.340 -0.001 0.000 0.240 87 R C 2.013 178.440 176.300 0.212 0.000 1.139 87 R CA 1.901 58.092 56.100 0.152 0.000 0.952 87 R CB 0.128 30.491 30.300 0.104 0.000 0.854 87 R HN 0.372 nan 8.270 nan 0.000 0.436 88 E N -0.403 119.922 120.200 0.208 0.000 2.031 88 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 88 E C 1.825 178.523 176.600 0.163 0.000 0.994 88 E CA 1.322 57.887 56.400 0.274 0.000 0.800 88 E CB -0.166 29.652 29.700 0.196 0.000 0.752 88 E HN 0.495 nan 8.360 nan 0.000 0.447 89 A N 0.895 123.795 122.820 0.134 0.000 1.902 89 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 89 A C 2.219 179.842 177.584 0.065 0.000 1.181 89 A CA 1.113 53.208 52.037 0.096 0.000 0.623 89 A CB -0.638 18.426 19.000 0.107 0.000 0.818 89 A HN 0.317 nan 8.150 nan 0.000 0.443 90 L N -0.834 120.437 121.223 0.080 0.000 2.056 90 L HA -0.177 4.162 4.340 -0.001 0.000 0.207 90 L C 3.087 179.959 176.870 0.004 0.000 1.078 90 L CA 1.014 55.884 54.840 0.049 0.000 0.749 90 L CB -0.470 41.640 42.059 0.084 0.000 0.901 90 L HN 0.438 nan 8.230 nan 0.000 0.433 91 A N 0.036 122.844 122.820 -0.021 0.000 1.902 91 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 91 A C 2.381 179.841 177.584 -0.207 0.000 1.181 91 A CA 1.372 53.302 52.037 -0.179 0.000 0.623 91 A CB -0.430 18.317 19.000 -0.422 0.000 0.818 91 A HN 0.309 nan 8.150 nan 0.000 0.443 92 R N -1.308 119.141 120.500 -0.085 0.000 2.096 92 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 92 R C 2.024 178.378 176.300 0.090 0.000 1.127 92 R CA 1.302 57.451 56.100 0.082 0.000 0.968 92 R CB -0.486 29.932 30.300 0.197 0.000 0.861 92 R HN 0.449 nan 8.270 nan 0.000 0.440 93 L N 1.256 122.493 121.223 0.024 0.000 2.093 93 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 93 L C 2.091 178.942 176.870 -0.032 0.000 1.085 93 L CA 1.775 56.616 54.840 0.001 0.000 0.755 93 L CB -0.358 41.684 42.059 -0.029 0.000 0.904 93 L HN 0.010 nan 8.230 nan 0.000 0.435 94 E N -1.203 118.956 120.200 -0.068 0.000 2.077 94 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 94 E C 2.070 178.572 176.600 -0.163 0.000 0.989 94 E CA 1.784 58.123 56.400 -0.101 0.000 0.800 94 E CB -0.228 29.404 29.700 -0.115 0.000 0.746 94 E HN 0.432 nan 8.360 nan 0.000 0.452 95 T N 0.613 115.015 114.554 -0.253 0.000 2.777 95 T HA -0.131 4.218 4.350 -0.001 0.000 0.266 95 T C 1.687 176.224 174.700 -0.272 0.000 1.040 95 T CA 1.120 62.975 62.100 -0.408 0.000 1.141 95 T CB -0.343 68.045 68.868 -0.800 0.000 0.868 95 T HN 0.104 nan 8.240 nan 0.000 0.444 96 L N 1.366 122.548 121.223 -0.069 0.000 2.042 96 L HA -0.099 4.241 4.340 -0.001 0.000 0.210 96 L C 1.996 178.897 176.870 0.052 0.000 1.076 96 L CA 1.882 56.802 54.840 0.133 0.000 0.749 96 L CB -0.471 41.715 42.059 0.211 0.000 0.893 96 L HN 0.107 nan 8.230 nan 0.000 0.432 97 D N -1.998 118.405 120.400 0.004 0.000 2.183 97 D HA -0.087 4.552 4.640 -0.001 0.000 0.205 97 D C 1.970 178.275 176.300 0.009 0.000 0.962 97 D CA 1.456 55.463 54.000 0.012 0.000 0.849 97 D CB 0.242 41.046 40.800 0.006 0.000 0.978 97 D HN 0.520 nan 8.370 nan 0.000 0.488 98 T N -4.366 110.176 114.554 -0.020 0.000 3.001 98 T HA 0.366 4.715 4.350 -0.001 0.000 0.251 98 T C 1.658 176.369 174.700 0.017 0.000 1.040 98 T CA 0.843 62.953 62.100 0.017 0.000 0.985 98 T CB 0.808 69.674 68.868 -0.004 0.000 1.011 98 T HN 0.137 nan 8.240 nan 0.000 0.509 99 G N 2.454 111.220 108.800 -0.058 0.000 2.225 99 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.254 99 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.254 99 G C 0.133 174.964 174.900 -0.115 0.000 0.988 99 G CA 0.467 45.528 45.100 -0.066 0.000 0.625 99 G HN 1.036 nan 8.290 nan 0.000 0.527 100 K N 1.193 121.473 120.400 -0.200 0.000 2.180 100 K HA 0.501 4.820 4.320 -0.001 0.000 0.251 100 K C 0.886 177.303 176.600 -0.305 0.000 1.014 100 K CA 0.251 56.366 56.287 -0.287 0.000 0.913 100 K CB 0.242 32.324 32.500 -0.696 0.000 1.008 100 K HN 0.518 nan 8.250 nan 0.000 0.490 101 T N 0.058 114.463 114.554 -0.248 0.000 2.903 101 T HA -0.025 4.324 4.350 -0.001 0.000 0.314 101 T C 1.126 175.635 174.700 -0.317 0.000 1.078 101 T CA -0.676 61.276 62.100 -0.248 0.000 1.114 101 T CB 0.657 69.430 68.868 -0.159 0.000 0.987 101 T HN 0.610 nan 8.240 nan 0.000 0.548 102 L N 1.782 122.800 121.223 -0.341 0.000 2.046 102 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 102 L C 2.751 179.431 176.870 -0.317 0.000 1.077 102 L CA 2.131 56.723 54.840 -0.414 0.000 0.747 102 L CB -1.051 40.812 42.059 -0.328 0.000 0.896 102 L HN 0.956 nan 8.230 nan 0.000 0.432 103 E N -1.339 118.797 120.200 -0.106 0.000 2.150 103 E HA -0.257 4.092 4.350 -0.001 0.000 0.193 103 E C 1.818 178.387 176.600 -0.051 0.000 0.985 103 E CA 1.389 57.811 56.400 0.038 0.000 0.814 103 E CB -0.524 29.197 29.700 0.034 0.000 0.752 103 E HN 0.622 nan 8.360 nan 0.000 0.466 104 E N 1.012 121.116 120.200 -0.161 0.000 2.110 104 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 104 E C 2.170 178.687 176.600 -0.137 0.000 0.988 104 E CA 1.305 57.596 56.400 -0.182 0.000 0.804 104 E CB 0.042 29.588 29.700 -0.256 0.000 0.745 104 E HN 0.166 nan 8.360 nan 0.000 0.458 105 S N -0.014 115.558 115.700 -0.214 0.000 2.368 105 S HA -0.129 4.341 4.470 -0.001 0.000 0.224 105 S C 1.655 176.194 174.600 -0.101 0.000 1.029 105 S CA 0.823 58.899 58.200 -0.208 0.000 0.988 105 S CB -0.245 62.755 63.200 -0.332 0.000 0.838 105 S HN 0.283 nan 8.310 nan 0.000 0.462 106 Y N 1.913 122.185 120.300 -0.047 0.000 2.165 106 Y HA -0.106 4.443 4.550 -0.001 0.000 0.286 106 Y C 2.657 178.557 175.900 -0.001 0.000 1.155 106 Y CA 0.354 58.443 58.100 -0.017 0.000 1.164 106 Y CB -1.117 37.328 38.460 -0.025 0.000 0.978 106 Y HN 0.259 nan 8.280 nan 0.000 0.513 107 A N 0.080 122.985 122.820 0.141 0.000 1.908 107 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 107 A C 1.981 179.627 177.584 0.104 0.000 1.181 107 A CA 2.082 54.168 52.037 0.083 0.000 0.627 107 A CB -0.804 18.204 19.000 0.012 0.000 0.818 107 A HN 0.361 nan 8.150 nan 0.000 0.445 108 D N -0.486 119.975 120.400 0.102 0.000 2.104 108 D HA -0.151 4.488 4.640 -0.001 0.000 0.194 108 D C 2.018 178.413 176.300 0.159 0.000 0.994 108 D CA 1.376 55.459 54.000 0.139 0.000 0.830 108 D CB -0.295 40.578 40.800 0.121 0.000 0.959 108 D HN 0.266 nan 8.370 nan 0.000 0.452 109 M N 0.741 120.431 119.600 0.149 0.000 2.159 109 M HA -0.111 4.368 4.480 -0.001 0.000 0.263 109 M C 1.401 177.825 176.300 0.206 0.000 1.063 109 M CA 1.138 56.545 55.300 0.177 0.000 1.110 109 M CB -0.830 31.874 32.600 0.173 0.000 1.374 109 M HN -0.017 nan 8.290 nan 0.000 0.411 110 D N 0.677 121.184 120.400 0.178 0.000 2.117 110 D HA -0.135 4.504 4.640 -0.001 0.000 0.198 110 D C 1.624 178.056 176.300 0.220 0.000 0.982 110 D CA 1.097 55.201 54.000 0.174 0.000 0.828 110 D CB -0.262 40.606 40.800 0.114 0.000 0.967 110 D HN 0.299 nan 8.370 nan 0.000 0.464 111 D N 0.451 120.975 120.400 0.207 0.000 2.117 111 D HA -0.088 4.552 4.640 -0.001 0.000 0.197 111 D C 2.327 178.792 176.300 0.276 0.000 0.987 111 D CA 0.426 54.570 54.000 0.240 0.000 0.829 111 D CB -0.255 40.715 40.800 0.283 0.000 0.961 111 D HN 0.263 nan 8.370 nan 0.000 0.460 112 I N 0.354 121.095 120.570 0.286 0.000 2.226 112 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 112 I C 2.408 178.775 176.117 0.416 0.000 1.100 112 I CA 1.143 62.638 61.300 0.325 0.000 1.374 112 I CB -0.293 37.897 38.000 0.317 0.000 1.057 112 I HN 0.073 nan 8.210 nan 0.000 0.413 113 H N 1.510 120.754 119.070 0.290 0.000 2.319 113 H HA -0.178 4.378 4.556 -0.001 0.000 0.299 113 H C 2.033 177.519 175.328 0.263 0.000 1.092 113 H CA 2.094 58.305 56.048 0.271 0.000 1.302 113 H CB -0.067 29.799 29.762 0.173 0.000 1.373 113 H HN 0.215 nan 8.280 nan 0.000 0.497 114 N N -0.026 118.773 118.700 0.166 0.000 2.244 114 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 114 N C 2.094 177.661 175.510 0.095 0.000 1.016 114 N CA 1.129 54.228 53.050 0.081 0.000 0.866 114 N CB -0.253 38.315 38.487 0.135 0.000 0.980 114 N HN 0.249 nan 8.380 nan 0.000 0.430 115 V N 0.848 120.849 119.914 0.145 0.000 2.261 115 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 115 V C 1.913 178.125 176.094 0.197 0.000 1.047 115 V CA 1.442 63.822 62.300 0.134 0.000 1.015 115 V CB -0.689 31.218 31.823 0.140 0.000 0.642 115 V HN 0.087 nan 8.190 nan 0.000 0.446 116 F N -1.142 118.925 119.950 0.195 0.000 2.126 116 F HA -0.205 4.322 4.527 -0.001 0.000 0.299 116 F C 2.500 178.358 175.800 0.097 0.000 1.096 116 F CA 1.534 59.635 58.000 0.168 0.000 1.255 116 F CB -0.531 38.529 39.000 0.099 0.000 0.997 116 F HN 0.071 nan 8.300 nan 0.000 0.479 117 M N -1.299 118.379 119.600 0.131 0.000 2.117 117 M HA -0.258 4.221 4.480 -0.001 0.000 0.262 117 M C 2.222 178.553 176.300 0.052 0.000 1.065 117 M CA 1.635 56.945 55.300 0.018 0.000 1.114 117 M CB -1.488 31.029 32.600 -0.138 0.000 1.361 117 M HN 0.279 nan 8.290 nan 0.000 0.408 118 Y N 0.469 120.722 120.300 -0.079 0.000 2.114 118 Y HA -0.263 4.287 4.550 -0.001 0.000 0.284 118 Y C 2.054 177.823 175.900 -0.218 0.000 1.143 118 Y CA 1.870 59.848 58.100 -0.205 0.000 1.135 118 Y CB -0.552 37.686 38.460 -0.370 0.000 0.980 118 Y HN 0.030 nan 8.280 nan 0.000 0.499 119 F N -0.047 119.946 119.950 0.072 0.000 2.259 119 F HA -0.046 4.480 4.527 -0.001 0.000 0.298 119 F C 2.560 178.345 175.800 -0.024 0.000 1.088 119 F CA 0.968 58.962 58.000 -0.012 0.000 1.358 119 F CB -1.178 37.861 39.000 0.066 0.000 1.040 119 F HN 0.172 nan 8.300 nan 0.000 0.505 120 A N 0.319 123.250 122.820 0.184 0.000 1.883 120 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 120 A C 2.581 180.181 177.584 0.026 0.000 1.186 120 A CA 1.955 54.068 52.037 0.128 0.000 0.624 120 A CB -1.578 17.500 19.000 0.129 0.000 0.822 120 A HN 0.394 nan 8.150 nan 0.000 0.444 121 G N -1.179 107.584 108.800 -0.061 0.000 2.484 121 G HA2 0.020 3.979 3.960 -0.001 0.000 0.218 121 G HA3 0.020 3.979 3.960 -0.001 0.000 0.218 121 G C 1.326 176.128 174.900 -0.163 0.000 1.130 121 G CA 1.023 46.053 45.100 -0.116 0.000 0.784 121 G HN 0.417 nan 8.290 nan 0.000 0.543 122 L N 0.871 121.960 121.223 -0.222 0.000 2.375 122 L HA 0.438 4.777 4.340 -0.001 0.000 0.215 122 L C 2.916 179.761 176.870 -0.041 0.000 1.108 122 L CA 1.114 55.842 54.840 -0.187 0.000 0.830 122 L CB -0.470 41.425 42.059 -0.274 0.000 0.959 122 L HN 0.197 nan 8.230 nan 0.000 0.457 123 A N 0.355 123.180 122.820 0.007 0.000 1.903 123 A HA -0.256 4.063 4.320 -0.001 0.000 0.219 123 A C 1.597 179.182 177.584 0.002 0.000 1.191 123 A CA 2.146 54.202 52.037 0.032 0.000 0.638 123 A CB -0.847 18.180 19.000 0.045 0.000 0.823 123 A HN 0.645 nan 8.150 nan 0.000 0.451 124 D N -2.083 118.309 120.400 -0.014 0.000 2.427 124 D HA 0.094 4.734 4.640 -0.001 0.000 0.224 124 D C 0.762 177.050 176.300 -0.020 0.000 1.157 124 D CA 0.012 54.000 54.000 -0.020 0.000 0.828 124 D CB 0.103 40.889 40.800 -0.024 0.000 0.974 124 D HN 0.211 nan 8.370 nan 0.000 0.498 125 K N 0.089 120.476 120.400 -0.021 0.000 2.367 125 K HA 0.123 4.443 4.320 -0.001 0.000 0.194 125 K C -0.178 176.417 176.600 -0.009 0.000 1.027 125 K CA 0.124 56.398 56.287 -0.022 0.000 1.075 125 K CB 0.703 33.180 32.500 -0.040 0.000 0.845 125 K HN 0.159 nan 8.250 nan 0.000 0.529 126 D N -0.745 119.655 120.400 0.000 0.000 2.333 126 D HA 0.177 4.816 4.640 -0.001 0.000 0.225 126 D C 0.190 176.498 176.300 0.013 0.000 1.345 126 D CA -0.207 53.798 54.000 0.008 0.000 0.971 126 D CB 0.667 41.477 40.800 0.016 0.000 1.451 126 D HN 0.029 nan 8.370 nan 0.000 0.561 127 G N 1.359 110.164 108.800 0.008 0.000 3.233 127 G HA2 0.563 4.522 3.960 -0.001 0.000 0.234 127 G HA3 0.563 4.522 3.960 -0.001 0.000 0.234 127 G C 0.824 175.733 174.900 0.015 0.000 1.137 127 G CA 0.344 45.450 45.100 0.010 0.000 0.763 127 G HN 0.929 nan 8.290 nan 0.000 0.549 128 G N -0.304 108.505 108.800 0.015 0.000 2.298 128 G HA2 0.229 4.188 3.960 -0.001 0.000 0.309 128 G HA3 0.229 4.188 3.960 -0.001 0.000 0.309 128 G C -1.476 173.430 174.900 0.010 0.000 1.279 128 G CA -0.773 44.336 45.100 0.015 0.000 1.042 128 G HN 0.340 nan 8.290 nan 0.000 0.480 129 E N -0.669 119.536 120.200 0.009 0.000 2.369 129 E HA 0.764 5.113 4.350 -0.001 0.000 0.270 129 E C -0.317 176.287 176.600 0.007 0.000 0.909 129 E CA -0.952 55.449 56.400 0.002 0.000 0.775 129 E CB 1.613 31.308 29.700 -0.008 0.000 1.270 129 E HN 0.450 nan 8.360 nan 0.000 0.445 130 M N 1.629 121.231 119.600 0.004 0.000 2.300 130 M HA 0.463 4.942 4.480 -0.001 0.000 0.348 130 M C -0.809 175.489 176.300 -0.002 0.000 1.151 130 M CA -0.672 54.633 55.300 0.009 0.000 1.046 130 M CB 0.997 33.602 32.600 0.009 0.000 1.647 130 M HN 0.467 nan 8.290 nan 0.000 0.451 131 I N 1.801 122.371 120.570 -0.000 0.000 2.441 131 I HA 0.241 4.410 4.170 -0.001 0.000 0.295 131 I C 0.063 176.178 176.117 -0.003 0.000 0.994 131 I CA -0.512 60.776 61.300 -0.019 0.000 1.144 131 I CB 1.662 39.627 38.000 -0.059 0.000 1.314 131 I HN 0.503 nan 8.210 nan 0.000 0.445 132 D N 4.087 124.481 120.400 -0.009 0.000 2.416 132 D HA 0.016 4.655 4.640 -0.001 0.000 0.240 132 D C 0.303 176.603 176.300 0.001 0.000 1.250 132 D CA 0.306 54.305 54.000 -0.002 0.000 0.967 132 D CB 0.724 41.521 40.800 -0.005 0.000 1.059 132 D HN 0.380 nan 8.370 nan 0.000 0.512 133 S N 3.170 118.880 115.700 0.015 0.000 2.549 133 S HA 0.101 4.570 4.470 -0.001 0.000 0.286 133 S C -1.073 173.537 174.600 0.017 0.000 1.314 133 S CA -1.060 57.155 58.200 0.025 0.000 1.062 133 S CB 0.938 64.165 63.200 0.045 0.000 0.865 133 S HN 0.342 nan 8.310 nan 0.000 0.498 134 P HA 0.208 nan 4.420 nan 0.000 0.249 134 P C -0.275 177.034 177.300 0.014 0.000 1.229 134 P CA 0.345 63.452 63.100 0.011 0.000 0.788 134 P CB -0.008 31.697 31.700 0.007 0.000 1.072 135 I N 2.083 122.665 120.570 0.020 0.000 2.321 135 I HA 0.287 4.456 4.170 -0.001 0.000 0.291 135 I C -2.340 173.787 176.117 0.017 0.000 0.998 135 I CA -2.913 58.398 61.300 0.019 0.000 1.227 135 I CB 1.317 39.330 38.000 0.022 0.000 1.368 135 I HN -0.272 nan 8.210 nan 0.000 0.466 136 P HA 0.035 nan 4.420 nan 0.000 0.269 136 P C -0.557 176.750 177.300 0.012 0.000 1.209 136 P CA 0.167 63.273 63.100 0.011 0.000 0.776 136 P CB 0.312 32.017 31.700 0.010 0.000 0.876 137 D N -0.805 119.601 120.400 0.011 0.000 2.723 137 D HA -0.117 4.522 4.640 -0.001 0.000 0.236 137 D C -0.262 176.045 176.300 0.011 0.000 1.138 137 D CA 1.446 55.452 54.000 0.010 0.000 0.676 137 D CB -1.635 39.170 40.800 0.008 0.000 1.069 137 D HN 0.565 nan 8.370 nan 0.000 0.430 138 T N -2.906 111.657 114.554 0.014 0.000 2.903 138 T HA 0.580 4.930 4.350 -0.001 0.000 0.299 138 T C -0.601 174.114 174.700 0.023 0.000 1.093 138 T CA -0.967 61.143 62.100 0.017 0.000 1.002 138 T CB 3.409 72.290 68.868 0.022 0.000 1.127 138 T HN 0.102 nan 8.240 nan 0.000 0.488 139 E N 1.034 121.248 120.200 0.024 0.000 2.171 139 E HA 0.517 4.866 4.350 -0.001 0.000 0.271 139 E C -1.230 175.404 176.600 0.057 0.000 0.916 139 E CA -0.684 55.736 56.400 0.032 0.000 0.774 139 E CB 1.637 31.350 29.700 0.021 0.000 1.128 139 E HN 0.687 nan 8.360 nan 0.000 0.403 140 S N 4.370 120.123 115.700 0.088 0.000 2.519 140 S HA 0.509 4.979 4.470 -0.001 0.000 0.309 140 S C -1.267 173.414 174.600 0.135 0.000 1.100 140 S CA -0.795 57.514 58.200 0.181 0.000 1.059 140 S CB 0.591 63.933 63.200 0.236 0.000 1.008 140 S HN 0.525 nan 8.310 nan 0.000 0.478 141 K N 3.411 123.920 120.400 0.180 0.000 2.508 141 K HA 0.595 4.914 4.320 -0.001 0.000 0.260 141 K C -1.469 175.218 176.600 0.145 0.000 0.949 141 K CA -1.076 55.277 56.287 0.110 0.000 0.834 141 K CB 1.103 33.642 32.500 0.066 0.000 1.365 141 K HN 0.400 nan 8.250 nan 0.000 0.437 142 I N 2.932 123.543 120.570 0.069 0.000 2.355 142 I HA 0.188 4.357 4.170 -0.001 0.000 0.288 142 I C -0.031 176.114 176.117 0.046 0.000 0.999 142 I CA -0.937 60.398 61.300 0.060 0.000 1.163 142 I CB 1.138 39.144 38.000 0.010 0.000 1.316 142 I HN 0.589 nan 8.210 nan 0.000 0.454 143 V N 4.391 124.336 119.914 0.053 0.000 2.427 143 V HA 0.581 4.700 4.120 -0.001 0.000 0.286 143 V C 0.073 176.191 176.094 0.040 0.000 1.034 143 V CA -0.791 61.532 62.300 0.039 0.000 0.893 143 V CB 1.651 33.494 31.823 0.034 0.000 0.982 143 V HN 0.485 nan 8.190 nan 0.000 0.452 144 K N 4.313 124.735 120.400 0.036 0.000 2.253 144 K HA 0.521 4.840 4.320 -0.001 0.000 0.277 144 K C -0.212 176.418 176.600 0.051 0.000 1.053 144 K CA 0.077 56.390 56.287 0.043 0.000 0.892 144 K CB 1.545 34.069 32.500 0.041 0.000 1.102 144 K HN 0.888 nan 8.250 nan 0.000 0.469 145 E N 3.209 123.450 120.200 0.068 0.000 2.235 145 E HA 0.352 4.702 4.350 -0.001 0.000 0.265 145 E C -2.361 174.317 176.600 0.130 0.000 0.940 145 E CA -2.285 54.170 56.400 0.093 0.000 0.819 145 E CB 1.239 31.006 29.700 0.111 0.000 1.206 145 E HN 0.242 nan 8.360 nan 0.000 0.409 146 P HA -0.094 nan 4.420 nan 0.000 0.268 146 P C 0.798 178.217 177.300 0.199 0.000 1.205 146 P CA 0.205 63.447 63.100 0.238 0.000 0.771 146 P CB 0.845 32.772 31.700 0.378 0.000 0.858 147 V N 2.427 122.405 119.914 0.107 0.000 2.469 147 V HA -0.059 4.060 4.120 -0.001 0.000 0.251 147 V C 1.242 177.257 176.094 -0.133 0.000 1.064 147 V CA 2.897 65.200 62.300 0.005 0.000 1.066 147 V CB -1.087 30.717 31.823 -0.031 0.000 0.667 147 V HN 1.033 nan 8.190 nan 0.000 0.461 148 G N -1.329 107.294 108.800 -0.295 0.000 2.178 148 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.147 148 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.147 148 G C -0.606 173.900 174.900 -0.656 0.000 1.245 148 G CA -0.141 44.376 45.100 -0.972 0.000 1.275 148 G HN 0.466 nan 8.290 nan 0.000 0.491 149 V N 1.899 121.540 119.914 -0.455 0.000 2.406 149 V HA 0.558 4.678 4.120 -0.001 0.000 0.272 149 V C 0.682 176.726 176.094 -0.083 0.000 1.043 149 V CA 0.156 62.339 62.300 -0.194 0.000 0.915 149 V CB 0.740 32.479 31.823 -0.141 0.000 0.988 149 V HN 1.503 nan 8.190 nan 0.000 0.466 150 V N 2.505 122.420 119.914 0.002 0.000 2.604 150 V HA 0.894 5.013 4.120 -0.001 0.000 0.305 150 V C -0.082 176.053 176.094 0.068 0.000 1.043 150 V CA -0.418 61.915 62.300 0.056 0.000 0.888 150 V CB 1.901 33.833 31.823 0.182 0.000 0.995 150 V HN 0.868 nan 8.190 nan 0.000 0.429 151 T N 2.203 116.794 114.554 0.062 0.000 2.859 151 T HA 0.749 5.098 4.350 -0.001 0.000 0.281 151 T C -0.604 174.159 174.700 0.105 0.000 1.005 151 T CA -0.586 61.556 62.100 0.069 0.000 1.025 151 T CB 1.626 70.522 68.868 0.047 0.000 0.977 151 T HN 0.883 nan 8.240 nan 0.000 0.458 152 Q N 2.005 121.874 119.800 0.115 0.000 2.292 152 Q HA 0.587 4.926 4.340 -0.001 0.000 0.270 152 Q C -1.180 174.897 176.000 0.128 0.000 1.024 152 Q CA -0.564 55.319 55.803 0.134 0.000 0.768 152 Q CB 2.522 31.342 28.738 0.136 0.000 1.250 152 Q HN 0.697 nan 8.270 nan 0.000 0.447 153 I N 2.096 122.759 120.570 0.155 0.000 2.466 153 I HA 0.428 4.597 4.170 -0.001 0.000 0.289 153 I C -0.092 176.057 176.117 0.054 0.000 1.026 153 I CA -0.592 60.810 61.300 0.170 0.000 1.078 153 I CB 2.096 40.300 38.000 0.339 0.000 1.249 153 I HN 0.598 nan 8.210 nan 0.000 0.429 154 T N 3.510 118.067 114.554 0.006 0.000 2.942 154 T HA 0.728 5.077 4.350 -0.001 0.000 0.289 154 T C -2.811 171.815 174.700 -0.124 0.000 1.044 154 T CA -2.031 60.007 62.100 -0.103 0.000 1.023 154 T CB 2.355 71.185 68.868 -0.064 0.000 1.123 154 T HN 0.251 nan 8.240 nan 0.000 0.512 155 P HA 0.360 nan 4.420 nan 0.000 0.304 155 P C 0.521 177.698 177.300 -0.206 0.000 1.310 155 P CA -0.944 61.963 63.100 -0.322 0.000 0.796 155 P CB 1.179 32.540 31.700 -0.564 0.000 1.297 156 W N 0.189 121.471 121.300 -0.030 0.000 3.197 156 W HA 0.091 4.751 4.660 -0.001 0.000 0.274 156 W C 0.881 177.397 176.519 -0.005 0.000 1.297 156 W CA 0.318 57.652 57.345 -0.018 0.000 1.662 156 W CB -1.532 27.911 29.460 -0.029 0.000 1.106 156 W HN 0.369 nan 8.180 nan 0.000 0.663 157 N N 0.871 119.503 118.700 -0.113 0.000 2.207 157 N HA -0.157 4.583 4.740 -0.001 0.000 0.182 157 N C -0.008 175.423 175.510 -0.132 0.000 1.020 157 N CA 0.689 53.771 53.050 0.054 0.000 0.858 157 N CB -0.699 37.723 38.487 -0.109 0.000 0.991 157 N HN 0.019 nan 8.380 nan 0.000 0.427 158 Y N 0.010 120.289 120.300 -0.034 0.000 2.511 158 Y HA 0.425 4.974 4.550 -0.001 0.000 0.356 158 Y C -2.038 173.774 175.900 -0.146 0.000 1.002 158 Y CA -2.171 55.867 58.100 -0.102 0.000 1.127 158 Y CB 1.674 40.012 38.460 -0.204 0.000 1.137 158 Y HN 0.046 nan 8.280 nan 0.000 0.652 159 P HA -0.230 nan 4.420 nan 0.000 0.214 159 P C 1.829 179.127 177.300 -0.003 0.000 1.163 159 P CA 1.185 64.288 63.100 0.005 0.000 0.889 159 P CB 0.516 32.241 31.700 0.042 0.000 0.790 160 L N -1.401 119.834 121.223 0.021 0.000 2.109 160 L HA -0.043 4.297 4.340 -0.001 0.000 0.207 160 L C 2.187 179.058 176.870 0.001 0.000 1.086 160 L CA 1.433 56.302 54.840 0.049 0.000 0.760 160 L CB -1.548 40.562 42.059 0.085 0.000 0.910 160 L HN -0.153 nan 8.230 nan 0.000 0.437 161 L N -0.539 120.648 121.223 -0.059 0.000 1.994 161 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 161 L C 2.455 178.988 176.870 -0.562 0.000 1.071 161 L CA 1.856 56.566 54.840 -0.217 0.000 0.745 161 L CB -0.679 41.234 42.059 -0.244 0.000 0.892 161 L HN 0.368 nan 8.230 nan 0.000 0.431 162 Q N -0.645 118.817 119.800 -0.563 0.000 2.124 162 Q HA -0.154 4.186 4.340 -0.001 0.000 0.202 162 Q C 2.268 178.107 176.000 -0.268 0.000 0.977 162 Q CA 1.717 57.151 55.803 -0.615 0.000 0.850 162 Q CB -0.403 28.072 28.738 -0.439 0.000 0.901 162 Q HN 0.709 nan 8.270 nan 0.000 0.429 163 A N 0.791 123.535 122.820 -0.128 0.000 1.908 163 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 163 A C 2.242 179.819 177.584 -0.011 0.000 1.181 163 A CA 1.938 53.970 52.037 -0.007 0.000 0.627 163 A CB -0.871 18.174 19.000 0.075 0.000 0.818 163 A HN 0.490 nan 8.150 nan 0.000 0.445 164 S N -1.561 114.116 115.700 -0.039 0.000 2.382 164 S HA -0.208 4.261 4.470 -0.001 0.000 0.228 164 S C 1.694 176.223 174.600 -0.119 0.000 1.027 164 S CA 1.334 59.422 58.200 -0.187 0.000 0.991 164 S CB -0.764 62.349 63.200 -0.145 0.000 0.823 164 S HN 0.644 nan 8.310 nan 0.000 0.469 165 W N 2.557 123.727 121.300 -0.216 0.000 2.364 165 W HA 0.160 4.819 4.660 -0.001 0.000 0.281 165 W C 2.313 178.704 176.519 -0.213 0.000 1.219 165 W CA 0.425 57.671 57.345 -0.165 0.000 1.220 165 W CB -0.437 28.957 29.460 -0.110 0.000 1.127 165 W HN 0.458 nan 8.180 nan 0.000 0.556 166 K N -0.887 119.532 120.400 0.031 0.000 2.190 166 K HA 0.094 4.413 4.320 -0.001 0.000 0.202 166 K C 1.931 178.375 176.600 -0.261 0.000 1.045 166 K CA 0.685 56.952 56.287 -0.034 0.000 0.976 166 K CB -0.428 32.127 32.500 0.091 0.000 0.849 166 K HN 0.003 nan 8.250 nan 0.000 0.468 167 I N 1.821 122.285 120.570 -0.177 0.000 2.179 167 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 167 I C 2.577 178.545 176.117 -0.248 0.000 1.088 167 I CA 1.184 62.381 61.300 -0.171 0.000 1.357 167 I CB -0.394 37.598 38.000 -0.013 0.000 1.051 167 I HN 0.140 nan 8.210 nan 0.000 0.409 168 A N 1.643 124.235 122.820 -0.380 0.000 1.865 168 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 168 A C 0.100 177.413 177.584 -0.453 0.000 1.191 168 A CA 1.997 53.835 52.037 -0.332 0.000 0.623 168 A CB -2.048 16.680 19.000 -0.454 0.000 0.826 168 A HN 0.300 nan 8.150 nan 0.000 0.444 169 P HA -0.040 nan 4.420 nan 0.000 0.220 169 P C 1.598 178.524 177.300 -0.623 0.000 1.152 169 P CA 1.720 64.306 63.100 -0.856 0.000 0.812 169 P CB -0.154 30.940 31.700 -1.009 0.000 0.792 170 A N 0.676 122.957 122.820 -0.898 0.000 1.865 170 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 170 A C 2.433 179.974 177.584 -0.071 0.000 1.191 170 A CA 1.629 53.337 52.037 -0.549 0.000 0.623 170 A CB -1.657 17.076 19.000 -0.446 0.000 0.826 170 A HN 0.118 nan 8.150 nan 0.000 0.444 171 L N -0.968 120.239 121.223 -0.026 0.000 2.056 171 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 171 L C 3.114 180.228 176.870 0.407 0.000 1.078 171 L CA 0.970 55.974 54.840 0.272 0.000 0.749 171 L CB -0.622 41.489 42.059 0.086 0.000 0.901 171 L HN 0.447 nan 8.230 nan 0.000 0.433 172 A N 0.270 123.205 122.820 0.190 0.000 1.940 172 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 172 A C 2.351 179.989 177.584 0.091 0.000 1.176 172 A CA 2.385 54.520 52.037 0.163 0.000 0.631 172 A CB -0.906 18.182 19.000 0.146 0.000 0.814 172 A HN 0.543 nan 8.150 nan 0.000 0.446 173 T N -4.842 109.764 114.554 0.087 0.000 3.081 173 T HA 0.398 4.748 4.350 -0.001 0.000 0.255 173 T C 1.354 176.096 174.700 0.071 0.000 1.113 173 T CA 1.124 63.274 62.100 0.082 0.000 1.082 173 T CB 0.178 69.128 68.868 0.137 0.000 0.939 173 T HN 1.734 nan 8.240 nan 0.000 0.506 174 G N 0.300 109.166 108.800 0.109 0.000 2.134 174 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 174 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 174 G C 0.214 175.370 174.900 0.428 0.000 0.993 174 G CA -0.377 44.757 45.100 0.056 0.000 0.669 174 G HN 0.706 nan 8.290 nan 0.000 0.519 175 C N 0.755 120.313 119.300 0.431 0.000 2.580 175 C HA 0.702 5.161 4.460 -0.001 0.000 0.371 175 C C 1.309 176.547 174.990 0.413 0.000 1.308 175 C CA 0.097 59.363 59.018 0.414 0.000 2.428 175 C CB 1.197 29.094 27.740 0.262 0.000 2.529 175 C HN 0.569 nan 8.230 nan 0.000 0.657 176 S N 0.834 116.720 115.700 0.311 0.000 2.509 176 S HA 0.772 5.241 4.470 -0.001 0.000 0.297 176 S C -0.643 174.013 174.600 0.092 0.000 1.118 176 S CA -0.523 57.791 58.200 0.190 0.000 1.074 176 S CB 1.084 64.409 63.200 0.209 0.000 1.038 176 S HN 0.559 nan 8.310 nan 0.000 0.498 177 L N 0.278 121.532 121.223 0.052 0.000 2.371 177 L HA 0.951 5.290 4.340 -0.001 0.000 0.262 177 L C -1.218 175.693 176.870 0.069 0.000 1.006 177 L CA -0.900 53.975 54.840 0.059 0.000 0.818 177 L CB 1.473 43.560 42.059 0.048 0.000 1.354 177 L HN 0.328 nan 8.230 nan 0.000 0.415 178 V N 2.744 122.699 119.914 0.068 0.000 2.409 178 V HA 0.622 4.741 4.120 -0.001 0.000 0.290 178 V C -0.314 175.826 176.094 0.076 0.000 1.017 178 V CA -0.192 62.140 62.300 0.054 0.000 0.841 178 V CB 1.388 33.214 31.823 0.005 0.000 1.003 178 V HN 0.943 nan 8.190 nan 0.000 0.426 179 M N 5.345 125.002 119.600 0.095 0.000 2.364 179 M HA 0.568 5.047 4.480 -0.001 0.000 0.334 179 M C -0.859 175.456 176.300 0.025 0.000 1.107 179 M CA -0.140 55.224 55.300 0.105 0.000 0.988 179 M CB 1.443 34.189 32.600 0.243 0.000 1.673 179 M HN 0.520 nan 8.290 nan 0.000 0.441 180 K N 7.088 127.518 120.400 0.050 0.000 2.604 180 K HA 0.561 4.880 4.320 -0.001 0.000 0.247 180 K C -2.957 173.680 176.600 0.061 0.000 0.956 180 K CA -1.658 54.651 56.287 0.037 0.000 0.896 180 K CB 1.699 34.228 32.500 0.048 0.000 1.131 180 K HN 0.452 nan 8.250 nan 0.000 0.440 181 P HA 0.020 nan 4.420 nan 0.000 0.277 181 P C -0.372 176.979 177.300 0.084 0.000 1.271 181 P CA -0.455 62.687 63.100 0.069 0.000 0.795 181 P CB 0.862 32.606 31.700 0.075 0.000 1.101 182 S N 0.398 116.158 115.700 0.100 0.000 2.546 182 S HA -0.044 4.425 4.470 -0.001 0.000 0.290 182 S C 1.615 176.292 174.600 0.128 0.000 1.290 182 S CA -0.283 58.005 58.200 0.147 0.000 1.069 182 S CB -0.224 63.119 63.200 0.240 0.000 0.846 182 S HN 0.484 nan 8.310 nan 0.000 0.495 183 E N 5.283 125.552 120.200 0.115 0.000 2.209 183 E HA -0.213 4.137 4.350 -0.001 0.000 0.196 183 E C 1.647 178.295 176.600 0.081 0.000 0.993 183 E CA 1.601 58.052 56.400 0.086 0.000 0.819 183 E CB -0.590 29.150 29.700 0.067 0.000 0.745 183 E HN 0.943 nan 8.360 nan 0.000 0.477 184 I N -0.287 120.336 120.570 0.087 0.000 3.603 184 I HA 0.138 4.307 4.170 -0.001 0.000 0.297 184 I C 0.650 176.812 176.117 0.074 0.000 1.269 184 I CA 0.733 62.065 61.300 0.053 0.000 1.361 184 I CB 0.069 38.057 38.000 -0.020 0.000 1.063 184 I HN -0.035 nan 8.210 nan 0.000 0.448 185 T N -1.232 113.390 114.554 0.113 0.000 3.542 185 T HA 0.447 4.796 4.350 -0.001 0.000 0.276 185 T C -2.151 172.607 174.700 0.098 0.000 1.412 185 T CA -1.122 61.043 62.100 0.108 0.000 1.664 185 T CB 0.838 69.793 68.868 0.145 0.000 0.863 185 T HN 0.085 nan 8.240 nan 0.000 0.661 186 P HA 0.295 nan 4.420 nan 0.000 0.261 186 P C 1.540 178.892 177.300 0.087 0.000 1.268 186 P CA -0.290 62.868 63.100 0.098 0.000 0.833 186 P CB 0.355 32.123 31.700 0.114 0.000 1.231 187 L N 0.570 121.823 121.223 0.050 0.000 1.970 187 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 187 L C 2.620 179.493 176.870 0.004 0.000 1.071 187 L CA 2.673 57.504 54.840 -0.015 0.000 0.751 187 L CB -2.023 39.982 42.059 -0.089 0.000 0.889 187 L HN 0.099 nan 8.230 nan 0.000 0.432 188 T N -4.726 109.842 114.554 0.023 0.000 2.962 188 T HA -0.115 4.234 4.350 -0.001 0.000 0.270 188 T C 1.706 176.466 174.700 0.100 0.000 1.088 188 T CA 1.488 63.615 62.100 0.044 0.000 1.127 188 T CB -0.528 68.364 68.868 0.040 0.000 0.883 188 T HN 0.226 nan 8.240 nan 0.000 0.493 189 T N 1.963 116.593 114.554 0.126 0.000 2.896 189 T HA 0.223 4.573 4.350 -0.001 0.000 0.263 189 T C 1.894 176.765 174.700 0.285 0.000 1.050 189 T CA 0.747 62.972 62.100 0.208 0.000 1.140 189 T CB -0.336 68.637 68.868 0.174 0.000 0.877 189 T HN 0.376 nan 8.240 nan 0.000 0.457 190 I N 0.924 121.617 120.570 0.206 0.000 2.179 190 I HA -0.181 3.988 4.170 -0.001 0.000 0.242 190 I C 2.800 179.073 176.117 0.260 0.000 1.088 190 I CA 1.156 62.617 61.300 0.267 0.000 1.357 190 I CB -0.247 37.867 38.000 0.189 0.000 1.051 190 I HN 0.066 nan 8.210 nan 0.000 0.409 191 R N 0.839 121.412 120.500 0.123 0.000 2.081 191 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 191 R C 2.199 178.547 176.300 0.081 0.000 1.131 191 R CA 1.583 57.714 56.100 0.052 0.000 0.960 191 R CB -0.964 29.329 30.300 -0.011 0.000 0.856 191 R HN 0.245 nan 8.270 nan 0.000 0.436 192 V N -0.084 119.903 119.914 0.121 0.000 2.515 192 V HA -0.153 3.966 4.120 -0.001 0.000 0.250 192 V C 1.668 177.773 176.094 0.019 0.000 1.058 192 V CA 1.668 64.002 62.300 0.058 0.000 1.064 192 V CB -0.462 31.406 31.823 0.075 0.000 0.675 192 V HN 0.322 nan 8.190 nan 0.000 0.461 193 F N 0.883 120.859 119.950 0.043 0.000 2.171 193 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 193 F C 2.396 178.214 175.800 0.030 0.000 1.090 193 F CA 2.084 60.072 58.000 -0.019 0.000 1.293 193 F CB -0.285 38.690 39.000 -0.042 0.000 1.013 193 F HN 0.262 nan 8.300 nan 0.000 0.486 194 E N 0.076 120.469 120.200 0.322 0.000 2.077 194 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 194 E C 2.283 178.918 176.600 0.057 0.000 0.989 194 E CA 1.281 57.811 56.400 0.217 0.000 0.800 194 E CB -0.325 29.405 29.700 0.050 0.000 0.746 194 E HN 0.401 nan 8.360 nan 0.000 0.452 195 L N 0.127 121.344 121.223 -0.010 0.000 2.093 195 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 195 L C 2.551 179.399 176.870 -0.036 0.000 1.085 195 L CA 0.858 55.670 54.840 -0.046 0.000 0.755 195 L CB -0.293 41.722 42.059 -0.073 0.000 0.904 195 L HN 0.210 nan 8.230 nan 0.000 0.435 196 M N -0.604 118.949 119.600 -0.079 0.000 2.175 196 M HA -0.213 4.266 4.480 -0.001 0.000 0.264 196 M C 2.221 178.572 176.300 0.086 0.000 1.063 196 M CA 1.558 56.848 55.300 -0.018 0.000 1.119 196 M CB -0.415 32.022 32.600 -0.271 0.000 1.377 196 M HN 0.247 nan 8.290 nan 0.000 0.415 197 E N 1.031 121.227 120.200 -0.006 0.000 2.085 197 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 197 E C 1.670 178.301 176.600 0.051 0.000 0.994 197 E CA 1.587 58.008 56.400 0.036 0.000 0.801 197 E CB 0.050 29.768 29.700 0.031 0.000 0.743 197 E HN 0.533 nan 8.360 nan 0.000 0.453 198 E N -0.158 120.062 120.200 0.033 0.000 2.085 198 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 198 E C 2.227 178.809 176.600 -0.030 0.000 0.994 198 E CA 1.470 57.878 56.400 0.013 0.000 0.801 198 E CB 0.033 29.741 29.700 0.014 0.000 0.743 198 E HN 0.179 nan 8.360 nan 0.000 0.453 199 V N 0.128 120.009 119.914 -0.054 0.000 2.343 199 V HA -0.115 4.004 4.120 -0.001 0.000 0.247 199 V C 1.094 177.002 176.094 -0.310 0.000 1.051 199 V CA 1.337 63.542 62.300 -0.159 0.000 1.036 199 V CB -0.928 30.801 31.823 -0.156 0.000 0.654 199 V HN 0.528 nan 8.190 nan 0.000 0.451 200 G N -0.335 108.271 108.800 -0.323 0.000 3.421 200 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.686 200 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.686 200 G C -0.985 173.497 174.900 -0.697 0.000 1.056 200 G CA -0.703 44.206 45.100 -0.318 0.000 0.891 200 G HN 0.201 nan 8.290 nan 0.000 0.514 201 F N 2.350 122.218 119.950 -0.136 0.000 2.599 201 F HA 0.697 5.223 4.527 -0.001 0.000 0.311 201 F C -1.918 173.810 175.800 -0.119 0.000 1.076 201 F CA -2.135 55.711 58.000 -0.255 0.000 0.937 201 F CB 2.225 40.951 39.000 -0.457 0.000 1.282 201 F HN 0.330 nan 8.300 nan 0.000 0.460 202 P HA 0.039 nan 4.420 nan 0.000 0.269 202 P C -0.839 176.509 177.300 0.080 0.000 1.215 202 P CA -0.456 62.706 63.100 0.103 0.000 0.780 202 P CB 0.537 32.328 31.700 0.153 0.000 0.898 203 K N 1.506 121.940 120.400 0.058 0.000 2.491 203 K HA 0.148 4.468 4.320 -0.001 0.000 0.279 203 K C 1.237 177.845 176.600 0.013 0.000 1.026 203 K CA 1.304 57.603 56.287 0.020 0.000 1.070 203 K CB -0.699 31.803 32.500 0.004 0.000 0.887 203 K HN 0.781 nan 8.250 nan 0.000 0.481 204 G N 2.556 111.345 108.800 -0.019 0.000 2.217 204 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.246 204 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.246 204 G C 0.974 175.886 174.900 0.020 0.000 0.990 204 G CA 0.515 45.609 45.100 -0.011 0.000 0.627 204 G HN 0.669 nan 8.290 nan 0.000 0.522 205 T N 0.779 115.343 114.554 0.016 0.000 2.746 205 T HA 0.172 4.521 4.350 -0.001 0.000 0.267 205 T C 1.358 176.007 174.700 -0.084 0.000 1.039 205 T CA 1.476 63.555 62.100 -0.035 0.000 1.142 205 T CB -0.157 68.597 68.868 -0.190 0.000 0.866 205 T HN 1.141 nan 8.240 nan 0.000 0.444 206 I N -0.746 119.793 120.570 -0.051 0.000 2.509 206 I HA 0.611 4.780 4.170 -0.001 0.000 0.293 206 I C -1.301 174.978 176.117 0.269 0.000 1.020 206 I CA -1.074 60.252 61.300 0.042 0.000 1.088 206 I CB 1.990 39.891 38.000 -0.165 0.000 1.267 206 I HN -0.141 nan 8.210 nan 0.000 0.430 207 N N 5.453 124.338 118.700 0.309 0.000 2.264 207 N HA 0.515 5.254 4.740 -0.001 0.000 0.288 207 N C -1.869 173.611 175.510 -0.051 0.000 1.094 207 N CA -0.555 52.572 53.050 0.129 0.000 0.817 207 N CB 3.233 41.712 38.487 -0.013 0.000 1.604 207 N HN 0.567 nan 8.380 nan 0.000 0.473 208 L N 2.653 123.651 121.223 -0.376 0.000 2.349 208 L HA 0.587 4.926 4.340 -0.001 0.000 0.278 208 L C -1.370 175.331 176.870 -0.281 0.000 0.996 208 L CA -0.524 53.936 54.840 -0.633 0.000 0.825 208 L CB 0.887 42.181 42.059 -1.274 0.000 1.243 208 L HN 0.422 nan 8.230 nan 0.000 0.412 209 I N 6.126 126.597 120.570 -0.166 0.000 2.412 209 I HA 0.410 4.580 4.170 -0.001 0.000 0.296 209 I C -0.450 175.641 176.117 -0.043 0.000 0.987 209 I CA -0.504 60.749 61.300 -0.078 0.000 1.180 209 I CB 1.698 39.672 38.000 -0.043 0.000 1.340 209 I HN 0.569 nan 8.210 nan 0.000 0.455 210 L N 5.212 126.428 121.223 -0.011 0.000 2.341 210 L HA 0.908 5.247 4.340 -0.001 0.000 0.278 210 L C 0.244 177.130 176.870 0.026 0.000 1.005 210 L CA -0.346 54.505 54.840 0.019 0.000 0.818 210 L CB 1.930 44.014 42.059 0.042 0.000 1.259 210 L HN 0.814 nan 8.230 nan 0.000 0.418 211 G N 1.475 110.296 108.800 0.036 0.000 2.350 211 G HA2 0.421 4.381 3.960 -0.001 0.000 0.304 211 G HA3 0.421 4.381 3.960 -0.001 0.000 0.304 211 G C -1.635 173.290 174.900 0.042 0.000 1.421 211 G CA -0.278 44.843 45.100 0.034 0.000 0.934 211 G HN 0.750 nan 8.290 nan 0.000 0.632 212 A N -0.364 122.477 122.820 0.036 0.000 2.407 212 A HA 0.645 4.964 4.320 -0.001 0.000 0.248 212 A C 1.773 179.378 177.584 0.034 0.000 1.082 212 A CA 1.126 53.186 52.037 0.039 0.000 0.785 212 A CB 0.644 19.661 19.000 0.028 0.000 1.020 212 A HN 2.272 nan 8.150 nan 0.000 0.489 213 G N 0.608 109.432 108.800 0.041 0.000 2.432 213 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.219 213 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.219 213 G C 1.621 176.518 174.900 -0.004 0.000 1.135 213 G CA 1.372 46.488 45.100 0.027 0.000 0.767 213 G HN 1.242 nan 8.290 nan 0.000 0.550 214 S N 0.018 115.707 115.700 -0.017 0.000 2.500 214 S HA -0.029 4.440 4.470 -0.001 0.000 0.239 214 S C 1.800 176.394 174.600 -0.008 0.000 0.989 214 S CA 1.694 59.873 58.200 -0.035 0.000 0.951 214 S CB 0.141 63.320 63.200 -0.034 0.000 0.759 214 S HN 0.414 nan 8.310 nan 0.000 0.523 215 E N 1.119 121.322 120.200 0.006 0.000 2.279 215 E HA 0.096 4.446 4.350 -0.001 0.000 0.199 215 E C 1.783 178.396 176.600 0.020 0.000 0.893 215 E CA 1.039 57.447 56.400 0.013 0.000 0.978 215 E CB 0.167 29.875 29.700 0.013 0.000 0.964 215 E HN 0.405 nan 8.360 nan 0.000 0.486 216 V N -1.819 118.109 119.914 0.023 0.000 3.644 216 V HA 0.449 4.568 4.120 -0.001 0.000 0.267 216 V C 1.826 177.940 176.094 0.033 0.000 1.277 216 V CA 0.867 63.183 62.300 0.026 0.000 1.096 216 V CB 0.151 31.986 31.823 0.021 0.000 0.828 216 V HN 0.197 nan 8.190 nan 0.000 0.446 217 G N 0.602 109.423 108.800 0.034 0.000 2.408 217 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.217 217 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.217 217 G C 1.123 176.052 174.900 0.049 0.000 1.150 217 G CA 1.085 46.208 45.100 0.038 0.000 0.776 217 G HN 0.498 nan 8.290 nan 0.000 0.542 218 D N 0.230 120.668 120.400 0.064 0.000 2.178 218 D HA -0.075 4.564 4.640 -0.001 0.000 0.201 218 D C 2.730 179.063 176.300 0.054 0.000 0.980 218 D CA 0.506 54.550 54.000 0.073 0.000 0.842 218 D CB -0.217 40.636 40.800 0.089 0.000 0.948 218 D HN 0.213 nan 8.370 nan 0.000 0.472 219 V N 0.746 120.695 119.914 0.059 0.000 2.427 219 V HA -0.200 3.919 4.120 -0.001 0.000 0.248 219 V C 2.447 178.591 176.094 0.082 0.000 1.051 219 V CA 1.204 63.556 62.300 0.085 0.000 1.048 219 V CB -0.347 31.526 31.823 0.082 0.000 0.666 219 V HN 0.208 nan 8.190 nan 0.000 0.456 220 M N 0.565 120.196 119.600 0.051 0.000 2.229 220 M HA -0.119 4.360 4.480 -0.001 0.000 0.264 220 M C 2.273 178.598 176.300 0.043 0.000 1.063 220 M CA 2.033 57.357 55.300 0.040 0.000 1.114 220 M CB -0.360 32.264 32.600 0.040 0.000 1.387 220 M HN 0.584 nan 8.290 nan 0.000 0.420 221 S N -1.250 114.471 115.700 0.035 0.000 2.470 221 S HA 0.104 4.573 4.470 -0.001 0.000 0.222 221 S C 1.707 176.313 174.600 0.010 0.000 1.024 221 S CA 0.553 58.761 58.200 0.013 0.000 0.931 221 S CB -0.188 63.004 63.200 -0.015 0.000 0.791 221 S HN 0.463 nan 8.310 nan 0.000 0.513 222 G N -0.136 108.680 108.800 0.025 0.000 3.159 222 G HA2 0.222 4.181 3.960 -0.001 0.000 0.232 222 G HA3 0.222 4.181 3.960 -0.001 0.000 0.232 222 G C 0.033 174.952 174.900 0.032 0.000 1.116 222 G CA -0.475 44.630 45.100 0.009 0.000 0.767 222 G HN 0.609 nan 8.290 nan 0.000 0.547 223 H N 0.918 119.977 119.070 -0.018 0.000 2.652 223 H HA 0.256 4.811 4.556 -0.001 0.000 0.349 223 H C 1.935 177.251 175.328 -0.020 0.000 1.099 223 H CA 0.076 56.114 56.048 -0.015 0.000 1.417 223 H CB 1.163 30.919 29.762 -0.010 0.000 1.457 223 H HN 0.159 nan 8.280 nan 0.000 0.568 224 K N 2.737 123.053 120.400 -0.140 0.000 2.439 224 K HA -0.062 4.257 4.320 -0.001 0.000 0.197 224 K C 0.482 177.143 176.600 0.102 0.000 1.041 224 K CA 1.141 57.409 56.287 -0.030 0.000 0.970 224 K CB 0.384 32.818 32.500 -0.110 0.000 0.773 224 K HN 0.517 nan 8.250 nan 0.000 0.479 225 E N 1.171 121.571 120.200 0.332 0.000 2.479 225 E HA 0.064 4.413 4.350 -0.001 0.000 0.193 225 E C -0.100 176.538 176.600 0.064 0.000 1.049 225 E CA 0.058 56.566 56.400 0.179 0.000 0.870 225 E CB 0.461 30.265 29.700 0.172 0.000 0.944 225 E HN 0.088 nan 8.360 nan 0.000 0.492 226 V N 2.483 122.441 119.914 0.074 0.000 2.583 226 V HA 0.032 4.151 4.120 -0.001 0.000 0.287 226 V C 1.090 177.170 176.094 -0.023 0.000 1.051 226 V CA 0.037 62.341 62.300 0.007 0.000 1.010 226 V CB 1.475 33.312 31.823 0.024 0.000 0.988 226 V HN 0.029 nan 8.190 nan 0.000 0.478 227 D N 2.562 122.924 120.400 -0.062 0.000 2.338 227 D HA 0.178 4.817 4.640 -0.001 0.000 0.208 227 D C 0.038 176.296 176.300 -0.070 0.000 0.997 227 D CA 0.605 54.560 54.000 -0.075 0.000 0.880 227 D CB 1.207 41.934 40.800 -0.122 0.000 0.980 227 D HN 0.326 nan 8.370 nan 0.000 0.509 228 L N 0.734 121.917 121.223 -0.066 0.000 2.493 228 L HA 0.336 4.675 4.340 -0.001 0.000 0.265 228 L C -1.715 175.134 176.870 -0.036 0.000 0.954 228 L CA -0.701 54.093 54.840 -0.078 0.000 0.844 228 L CB 2.414 44.379 42.059 -0.157 0.000 1.302 228 L HN -0.352 nan 8.230 nan 0.000 0.405 229 V N 3.229 123.131 119.914 -0.020 0.000 2.384 229 V HA 0.700 4.819 4.120 -0.001 0.000 0.287 229 V C -0.122 175.999 176.094 0.046 0.000 1.020 229 V CA -0.395 61.920 62.300 0.025 0.000 0.850 229 V CB 1.445 33.283 31.823 0.025 0.000 0.987 229 V HN 0.814 nan 8.190 nan 0.000 0.436 230 S N 5.399 121.155 115.700 0.094 0.000 2.552 230 S HA 0.762 5.232 4.470 -0.001 0.000 0.314 230 S C -1.277 173.446 174.600 0.206 0.000 1.099 230 S CA -0.428 57.847 58.200 0.124 0.000 1.070 230 S CB 0.676 63.948 63.200 0.121 0.000 0.998 230 S HN 0.587 nan 8.310 nan 0.000 0.474 231 F N 3.650 123.624 119.950 0.040 0.000 2.556 231 F HA 0.687 5.213 4.527 -0.001 0.000 0.314 231 F C -0.693 175.126 175.800 0.032 0.000 1.106 231 F CA -0.158 57.862 58.000 0.033 0.000 0.911 231 F CB 2.179 41.195 39.000 0.026 0.000 1.190 231 F HN 0.450 nan 8.300 nan 0.000 0.448 232 T N 4.410 118.403 114.554 -0.934 0.000 2.879 232 T HA 0.797 5.146 4.350 -0.001 0.000 0.290 232 T C -0.180 173.773 174.700 -1.244 0.000 0.993 232 T CA -0.171 61.446 62.100 -0.805 0.000 0.975 232 T CB 1.282 69.927 68.868 -0.373 0.000 0.981 232 T HN 1.138 nan 8.240 nan 0.000 0.439 233 G N 1.835 110.081 108.800 -0.924 0.000 2.512 233 G HA2 0.532 4.492 3.960 -0.001 0.000 0.181 233 G HA3 0.532 4.492 3.960 -0.001 0.000 0.181 233 G C -0.410 174.377 174.900 -0.188 0.000 1.173 233 G CA -0.129 44.628 45.100 -0.572 0.000 0.988 233 G HN 0.883 nan 8.290 nan 0.000 0.485 234 G N -0.853 107.984 108.800 0.062 0.000 2.462 234 G HA2 0.529 4.488 3.960 -0.001 0.000 0.319 234 G HA3 0.529 4.488 3.960 -0.001 0.000 0.319 234 G C 0.973 175.999 174.900 0.210 0.000 1.171 234 G CA -0.004 45.144 45.100 0.079 0.000 0.920 234 G HN 0.949 nan 8.290 nan 0.000 0.499 235 I N -0.457 120.214 120.570 0.169 0.000 2.286 235 I HA -0.137 4.032 4.170 -0.001 0.000 0.248 235 I C 2.451 178.631 176.117 0.105 0.000 1.115 235 I CA 1.738 63.131 61.300 0.155 0.000 1.392 235 I CB 0.042 38.129 38.000 0.146 0.000 1.065 235 I HN 0.857 nan 8.210 nan 0.000 0.418 236 E N -0.062 120.194 120.200 0.092 0.000 2.031 236 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 236 E C 1.975 178.595 176.600 0.034 0.000 0.994 236 E CA 2.104 58.539 56.400 0.059 0.000 0.800 236 E CB -0.052 29.680 29.700 0.054 0.000 0.752 236 E HN 0.437 nan 8.360 nan 0.000 0.447 237 T N -0.176 114.391 114.554 0.022 0.000 2.777 237 T HA -0.089 4.260 4.350 -0.001 0.000 0.266 237 T C 1.693 176.229 174.700 -0.273 0.000 1.040 237 T CA 1.049 63.086 62.100 -0.104 0.000 1.141 237 T CB -0.585 68.248 68.868 -0.060 0.000 0.868 237 T HN 0.416 nan 8.240 nan 0.000 0.444 238 G N 1.810 110.520 108.800 -0.150 0.000 2.440 238 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 238 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 238 G C 1.608 176.463 174.900 -0.074 0.000 1.154 238 G CA 0.815 45.838 45.100 -0.128 0.000 0.767 238 G HN 0.440 nan 8.290 nan 0.000 0.552 239 K N -0.628 119.767 120.400 -0.009 0.000 2.057 239 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 239 K C 2.215 178.804 176.600 -0.018 0.000 1.050 239 K CA 1.277 57.561 56.287 -0.006 0.000 0.935 239 K CB -0.316 32.191 32.500 0.012 0.000 0.715 239 K HN 0.511 nan 8.250 nan 0.000 0.439 240 H N 0.993 120.003 119.070 -0.100 0.000 2.319 240 H HA -0.070 4.485 4.556 -0.001 0.000 0.299 240 H C 1.881 177.134 175.328 -0.124 0.000 1.092 240 H CA 1.845 57.834 56.048 -0.100 0.000 1.302 240 H CB -0.032 29.670 29.762 -0.101 0.000 1.373 240 H HN 0.077 nan 8.280 nan 0.000 0.497 241 I N -0.096 120.432 120.570 -0.070 0.000 2.163 241 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 241 I C 2.712 178.753 176.117 -0.127 0.000 1.085 241 I CA 1.735 62.953 61.300 -0.138 0.000 1.347 241 I CB -0.280 37.551 38.000 -0.282 0.000 1.044 241 I HN 0.457 nan 8.210 nan 0.000 0.408 242 M N 0.834 120.372 119.600 -0.104 0.000 2.117 242 M HA -0.250 4.230 4.480 -0.001 0.000 0.262 242 M C 2.222 178.467 176.300 -0.092 0.000 1.065 242 M CA 1.891 57.146 55.300 -0.075 0.000 1.114 242 M CB -0.087 32.486 32.600 -0.046 0.000 1.361 242 M HN 0.017 nan 8.290 nan 0.000 0.408 243 K N -0.044 120.283 120.400 -0.122 0.000 2.103 243 K HA -0.177 4.142 4.320 -0.001 0.000 0.207 243 K C 1.741 178.246 176.600 -0.158 0.000 1.048 243 K CA 1.679 57.884 56.287 -0.137 0.000 0.930 243 K CB -0.334 32.068 32.500 -0.163 0.000 0.716 243 K HN 0.352 nan 8.250 nan 0.000 0.444 244 N N 0.708 119.283 118.700 -0.207 0.000 2.171 244 N HA -0.076 4.663 4.740 -0.001 0.000 0.184 244 N C 1.530 176.981 175.510 -0.097 0.000 1.021 244 N CA 1.247 54.196 53.050 -0.169 0.000 0.854 244 N CB -0.129 38.248 38.487 -0.182 0.000 0.994 244 N HN 0.183 nan 8.380 nan 0.000 0.426 245 A N 0.373 123.144 122.820 -0.082 0.000 1.978 245 A HA -0.006 4.314 4.320 -0.001 0.000 0.220 245 A C 2.247 179.799 177.584 -0.052 0.000 1.170 245 A CA 1.782 53.786 52.037 -0.054 0.000 0.636 245 A CB -1.013 17.959 19.000 -0.046 0.000 0.810 245 A HN 0.364 nan 8.150 nan 0.000 0.448 246 A N 0.482 123.265 122.820 -0.062 0.000 2.024 246 A HA -0.211 4.109 4.320 -0.001 0.000 0.220 246 A C 1.795 179.349 177.584 -0.050 0.000 1.164 246 A CA 1.670 53.675 52.037 -0.054 0.000 0.643 246 A CB -0.630 18.335 19.000 -0.058 0.000 0.806 246 A HN 0.578 nan 8.150 nan 0.000 0.451 247 N N 0.387 119.053 118.700 -0.056 0.000 2.289 247 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 247 N C 0.465 175.948 175.510 -0.046 0.000 1.016 247 N CA 1.565 54.584 53.050 -0.052 0.000 0.872 247 N CB -0.445 38.007 38.487 -0.058 0.000 0.973 247 N HN 0.706 nan 8.380 nan 0.000 0.433 248 N N -0.667 118.008 118.700 -0.041 0.000 2.235 248 N HA 0.158 4.897 4.740 -0.001 0.000 0.231 248 N C -0.591 174.901 175.510 -0.031 0.000 1.177 248 N CA -0.078 52.951 53.050 -0.035 0.000 0.874 248 N CB 1.231 39.699 38.487 -0.031 0.000 1.097 248 N HN -0.240 nan 8.380 nan 0.000 0.518 249 V N 0.390 120.284 119.914 -0.033 0.000 5.616 249 V HA -0.252 3.867 4.120 -0.001 0.000 0.301 249 V C -0.075 176.000 176.094 -0.032 0.000 0.564 249 V CA 0.998 63.279 62.300 -0.032 0.000 0.653 249 V CB -2.841 28.965 31.823 -0.028 0.000 0.372 249 V HN 0.344 nan 8.190 nan 0.000 1.029 250 T N 2.229 116.763 114.554 -0.033 0.000 2.845 250 T HA 0.282 4.631 4.350 -0.001 0.000 0.288 250 T C 0.593 175.270 174.700 -0.038 0.000 0.980 250 T CA -0.470 61.610 62.100 -0.033 0.000 1.071 250 T CB 0.757 69.609 68.868 -0.026 0.000 0.941 250 T HN 0.536 nan 8.240 nan 0.000 0.487 251 N N 3.379 122.051 118.700 -0.046 0.000 2.407 251 N HA 0.075 4.814 4.740 -0.001 0.000 0.250 251 N C -0.149 175.331 175.510 -0.050 0.000 1.236 251 N CA 0.195 53.213 53.050 -0.054 0.000 0.879 251 N CB 0.460 38.902 38.487 -0.076 0.000 1.088 251 N HN 0.558 nan 8.380 nan 0.000 0.450 252 I N -1.816 118.728 120.570 -0.042 0.000 2.608 252 I HA 0.716 4.885 4.170 -0.001 0.000 0.295 252 I C -0.981 175.124 176.117 -0.020 0.000 1.049 252 I CA -1.218 60.068 61.300 -0.023 0.000 1.063 252 I CB 1.315 39.310 38.000 -0.008 0.000 1.248 252 I HN 0.357 nan 8.210 nan 0.000 0.424 253 A N 7.345 130.167 122.820 0.002 0.000 2.335 253 A HA 0.844 5.163 4.320 -0.001 0.000 0.304 253 A C -1.147 176.491 177.584 0.089 0.000 1.118 253 A CA -0.551 51.497 52.037 0.019 0.000 0.757 253 A CB 1.148 20.136 19.000 -0.019 0.000 1.188 253 A HN 0.761 nan 8.150 nan 0.000 0.460 254 L N 1.532 122.815 121.223 0.099 0.000 2.401 254 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 254 L C -0.338 176.605 176.870 0.121 0.000 0.991 254 L CA -0.538 54.397 54.840 0.158 0.000 0.818 254 L CB 2.327 44.490 42.059 0.172 0.000 1.321 254 L HN 0.745 nan 8.230 nan 0.000 0.413 255 E N 3.468 123.731 120.200 0.104 0.000 2.244 255 E HA 0.378 4.728 4.350 -0.001 0.000 0.260 255 E C -1.033 175.595 176.600 0.047 0.000 0.884 255 E CA -0.329 56.126 56.400 0.091 0.000 0.777 255 E CB 1.982 31.771 29.700 0.148 0.000 1.197 255 E HN 0.644 nan 8.360 nan 0.000 0.416 256 L N 3.418 124.701 121.223 0.100 0.000 3.168 256 L HA 0.397 4.736 4.340 -0.001 0.000 0.277 256 L C 0.814 177.749 176.870 0.107 0.000 1.245 256 L CA 0.062 54.974 54.840 0.119 0.000 1.035 256 L CB 0.453 42.631 42.059 0.199 0.000 1.399 256 L HN 0.799 nan 8.230 nan 0.000 0.580 257 G N 0.089 108.922 108.800 0.055 0.000 2.660 257 G HA2 0.140 4.099 3.960 -0.001 0.000 0.247 257 G HA3 0.140 4.099 3.960 -0.001 0.000 0.247 257 G C -0.332 174.477 174.900 -0.151 0.000 1.328 257 G CA -0.476 44.615 45.100 -0.015 0.000 0.884 257 G HN 0.547 nan 8.290 nan 0.000 0.531 258 G N -1.483 107.058 108.800 -0.432 0.000 2.550 258 G HA2 0.707 4.666 3.960 -0.001 0.000 0.293 258 G HA3 0.707 4.666 3.960 -0.001 0.000 0.293 258 G C -1.327 173.191 174.900 -0.637 0.000 1.402 258 G CA 0.370 45.087 45.100 -0.638 0.000 0.784 258 G HN 1.285 nan 8.290 nan 0.000 0.482 259 K N 1.163 121.365 120.400 -0.331 0.000 2.606 259 K HA 0.316 4.635 4.320 -0.001 0.000 0.196 259 K C -0.561 176.047 176.600 0.013 0.000 1.048 259 K CA -0.714 55.526 56.287 -0.078 0.000 1.017 259 K CB -0.402 32.160 32.500 0.103 0.000 1.413 259 K HN 0.383 nan 8.250 nan 0.000 0.568 260 N N 4.868 123.593 118.700 0.041 0.000 2.430 260 N HA 0.216 4.955 4.740 -0.001 0.000 0.265 260 N C -2.515 173.085 175.510 0.149 0.000 1.100 260 N CA -1.294 51.820 53.050 0.106 0.000 0.961 260 N CB 1.012 39.627 38.487 0.214 0.000 1.075 260 N HN 0.396 nan 8.380 nan 0.000 0.478 261 P HA 0.156 nan 4.420 nan 0.000 0.284 261 P C -0.649 176.791 177.300 0.233 0.000 1.253 261 P CA -0.496 62.672 63.100 0.113 0.000 0.800 261 P CB 0.946 32.665 31.700 0.033 0.000 0.961 262 N N 3.225 122.042 118.700 0.196 0.000 2.626 262 N HA 0.284 5.023 4.740 -0.001 0.000 0.242 262 N C -0.932 174.664 175.510 0.143 0.000 1.005 262 N CA -0.565 52.643 53.050 0.263 0.000 0.905 262 N CB -0.166 38.378 38.487 0.094 0.000 1.128 262 N HN 0.284 nan 8.380 nan 0.000 0.512 263 I N 4.300 124.976 120.570 0.176 0.000 2.312 263 I HA 0.331 4.501 4.170 -0.001 0.000 0.291 263 I C 0.126 176.345 176.117 0.169 0.000 1.031 263 I CA -0.399 60.941 61.300 0.067 0.000 1.293 263 I CB 0.809 38.778 38.000 -0.051 0.000 1.403 263 I HN 0.288 nan 8.210 nan 0.000 0.484 264 I N 6.771 127.380 120.570 0.066 0.000 2.382 264 I HA 0.329 4.498 4.170 -0.001 0.000 0.285 264 I C -0.298 175.855 176.117 0.060 0.000 1.007 264 I CA -0.389 60.944 61.300 0.056 0.000 1.142 264 I CB 0.785 38.614 38.000 -0.286 0.000 1.289 264 I HN 0.341 nan 8.210 nan 0.000 0.453 265 F N 3.783 123.872 119.950 0.232 0.000 2.378 265 F HA 0.095 4.621 4.527 -0.001 0.000 0.319 265 F C 1.636 177.499 175.800 0.105 0.000 1.155 265 F CA -0.242 57.889 58.000 0.219 0.000 1.157 265 F CB 0.674 39.804 39.000 0.217 0.000 1.252 265 F HN 0.570 nan 8.300 nan 0.000 0.550 266 D N -0.670 119.885 120.400 0.258 0.000 2.310 266 D HA -0.169 4.470 4.640 -0.001 0.000 0.212 266 D C 0.718 177.129 176.300 0.185 0.000 0.965 266 D CA 0.910 55.005 54.000 0.159 0.000 0.879 266 D CB -0.693 40.159 40.800 0.085 0.000 0.921 266 D HN 0.512 nan 8.370 nan 0.000 0.510 267 D N 0.032 120.564 120.400 0.219 0.000 2.395 267 D HA 0.252 4.891 4.640 -0.001 0.000 0.226 267 D C 0.367 176.780 176.300 0.189 0.000 1.146 267 D CA -0.558 53.541 54.000 0.165 0.000 0.830 267 D CB -0.434 40.431 40.800 0.109 0.000 0.958 267 D HN 0.273 nan 8.370 nan 0.000 0.501 268 A N 0.367 123.333 122.820 0.245 0.000 2.313 268 A HA 0.242 4.561 4.320 -0.001 0.000 0.261 268 A C 0.284 178.003 177.584 0.225 0.000 1.090 268 A CA -0.504 51.687 52.037 0.257 0.000 0.807 268 A CB 0.300 19.466 19.000 0.277 0.000 1.055 268 A HN 0.176 nan 8.150 nan 0.000 0.492 269 D N 0.914 121.443 120.400 0.216 0.000 2.349 269 D HA -0.008 4.631 4.640 -0.001 0.000 0.266 269 D C 0.663 177.077 176.300 0.190 0.000 1.293 269 D CA -0.051 54.064 54.000 0.191 0.000 0.926 269 D CB -0.077 40.825 40.800 0.169 0.000 1.090 269 D HN 0.406 nan 8.370 nan 0.000 0.502 270 F N 4.132 124.130 119.950 0.081 0.000 2.095 270 F HA -0.189 4.338 4.527 -0.001 0.000 0.298 270 F C 1.933 177.770 175.800 0.062 0.000 1.104 270 F CA 1.385 59.431 58.000 0.076 0.000 1.232 270 F CB 0.316 39.360 39.000 0.073 0.000 0.987 270 F HN 0.382 nan 8.300 nan 0.000 0.475 271 E N 0.222 120.513 120.200 0.150 0.000 2.150 271 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 271 E C 2.204 178.772 176.600 -0.055 0.000 0.985 271 E CA 1.009 57.426 56.400 0.028 0.000 0.814 271 E CB -0.838 28.930 29.700 0.113 0.000 0.752 271 E HN 0.445 nan 8.360 nan 0.000 0.466 272 L N 1.056 122.275 121.223 -0.007 0.000 2.017 272 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 272 L C 2.215 178.971 176.870 -0.190 0.000 1.073 272 L CA 2.166 56.999 54.840 -0.012 0.000 0.745 272 L CB -0.695 41.428 42.059 0.106 0.000 0.894 272 L HN 0.040 nan 8.230 nan 0.000 0.432 273 A N -1.152 121.489 122.820 -0.298 0.000 1.933 273 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 273 A C 2.260 179.609 177.584 -0.390 0.000 1.175 273 A CA 1.998 53.684 52.037 -0.586 0.000 0.628 273 A CB -1.102 17.642 19.000 -0.427 0.000 0.814 273 A HN 0.332 nan 8.150 nan 0.000 0.444 274 V N 0.356 120.079 119.914 -0.318 0.000 2.358 274 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 274 V C 2.302 178.276 176.094 -0.200 0.000 1.047 274 V CA 2.454 64.601 62.300 -0.255 0.000 1.035 274 V CB -0.792 30.800 31.823 -0.386 0.000 0.658 274 V HN 0.786 nan 8.190 nan 0.000 0.452 275 D N -0.691 119.606 120.400 -0.171 0.000 2.104 275 D HA -0.219 4.420 4.640 -0.001 0.000 0.194 275 D C 2.203 178.415 176.300 -0.147 0.000 0.994 275 D CA 1.270 55.205 54.000 -0.109 0.000 0.830 275 D CB -0.008 40.761 40.800 -0.052 0.000 0.959 275 D HN 0.307 nan 8.370 nan 0.000 0.452 276 Q N -0.338 119.333 119.800 -0.216 0.000 2.311 276 Q HA 0.057 4.397 4.340 -0.001 0.000 0.203 276 Q C 2.122 177.899 176.000 -0.371 0.000 0.954 276 Q CA 0.926 56.585 55.803 -0.241 0.000 0.885 276 Q CB -0.059 28.578 28.738 -0.169 0.000 0.963 276 Q HN 0.429 nan 8.270 nan 0.000 0.471 277 A N 0.852 123.472 122.820 -0.334 0.000 1.898 277 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 277 A C 2.199 179.618 177.584 -0.275 0.000 1.181 277 A CA 0.869 52.739 52.037 -0.278 0.000 0.620 277 A CB -0.592 18.404 19.000 -0.006 0.000 0.819 277 A HN 0.289 nan 8.150 nan 0.000 0.442 278 L N -0.099 121.028 121.223 -0.160 0.000 2.046 278 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 278 L C 2.314 179.091 176.870 -0.154 0.000 1.077 278 L CA 1.298 56.140 54.840 0.004 0.000 0.747 278 L CB -0.673 41.409 42.059 0.037 0.000 0.896 278 L HN 0.364 nan 8.230 nan 0.000 0.432 279 N N 0.392 118.863 118.700 -0.381 0.000 2.142 279 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 279 N C 1.872 176.923 175.510 -0.765 0.000 1.023 279 N CA 1.572 54.077 53.050 -0.909 0.000 0.852 279 N CB -0.746 37.247 38.487 -0.823 0.000 0.998 279 N HN 0.353 nan 8.380 nan 0.000 0.424 280 G N 0.098 108.462 108.800 -0.727 0.000 2.422 280 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.218 280 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.218 280 G C 1.560 176.110 174.900 -0.584 0.000 1.146 280 G CA 1.068 45.555 45.100 -1.021 0.000 0.769 280 G HN 0.447 nan 8.290 nan 0.000 0.547 281 G N -0.719 107.695 108.800 -0.643 0.000 2.408 281 G HA2 0.054 4.014 3.960 -0.001 0.000 0.215 281 G HA3 0.054 4.014 3.960 -0.001 0.000 0.215 281 G C 1.304 175.745 174.900 -0.764 0.000 1.156 281 G CA 0.623 45.232 45.100 -0.819 0.000 0.793 281 G HN 0.461 nan 8.290 nan 0.000 0.535 282 Y N -1.098 119.189 120.300 -0.022 0.000 2.500 282 Y HA 0.453 5.002 4.550 -0.001 0.000 0.246 282 Y C 0.324 176.377 175.900 0.255 0.000 1.146 282 Y CA -1.927 56.229 58.100 0.093 0.000 1.230 282 Y CB 0.188 38.694 38.460 0.077 0.000 1.214 282 Y HN -0.114 nan 8.280 nan 0.000 0.526 283 F N 1.619 121.681 119.950 0.187 0.000 2.607 283 F HA 0.059 4.585 4.527 -0.001 0.000 0.374 283 F C 1.443 177.357 175.800 0.189 0.000 1.104 283 F CA 0.194 58.281 58.000 0.144 0.000 1.296 283 F CB -0.172 38.846 39.000 0.031 0.000 1.085 283 F HN 0.304 nan 8.300 nan 0.000 0.584 284 H N 2.618 121.804 119.070 0.194 0.000 2.690 284 H HA -0.235 4.320 4.556 -0.001 0.000 0.309 284 H C 0.935 176.324 175.328 0.102 0.000 1.138 284 H CA 0.316 56.409 56.048 0.075 0.000 1.142 284 H CB -1.189 28.575 29.762 0.004 0.000 1.410 284 H HN 0.909 nan 8.280 nan 0.000 0.409 285 A N -1.449 121.522 122.820 0.252 0.000 2.783 285 A HA -0.005 4.314 4.320 -0.001 0.000 0.292 285 A C 2.642 180.294 177.584 0.114 0.000 1.495 285 A CA 1.843 54.002 52.037 0.203 0.000 0.787 285 A CB -1.941 17.153 19.000 0.158 0.000 1.017 285 A HN 2.361 nan 8.150 nan 0.000 0.516 286 G N -2.274 106.577 108.800 0.084 0.000 2.168 286 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.263 286 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.263 286 G C 0.185 174.904 174.900 -0.302 0.000 0.977 286 G CA 0.909 45.974 45.100 -0.058 0.000 0.659 286 G HN 1.388 nan 8.290 nan 0.000 0.533 287 Q N 0.224 119.807 119.800 -0.361 0.000 3.170 287 Q HA 0.465 4.804 4.340 -0.001 0.000 0.346 287 Q C -0.199 175.380 176.000 -0.702 0.000 1.333 287 Q CA -0.066 55.270 55.803 -0.778 0.000 0.958 287 Q CB 0.809 29.305 28.738 -0.403 0.000 1.600 287 Q HN 0.345 nan 8.270 nan 0.000 0.482 288 V N -0.194 119.332 119.914 -0.647 0.000 2.656 288 V HA 0.050 4.169 4.120 -0.001 0.000 0.307 288 V C 1.179 177.323 176.094 0.083 0.000 1.051 288 V CA -0.946 61.354 62.300 0.000 0.000 0.893 288 V CB 1.378 33.362 31.823 0.268 0.000 0.999 288 V HN 0.719 nan 8.190 nan 0.000 0.426 289 C N 1.083 120.588 119.300 0.340 0.000 2.411 289 C HA -0.080 4.379 4.460 -0.001 0.000 0.279 289 C C 2.271 177.509 174.990 0.414 0.000 1.288 289 C CA 1.005 60.284 59.018 0.434 0.000 1.764 289 C CB -1.319 26.628 27.740 0.344 0.000 1.974 289 C HN 0.978 nan 8.230 nan 0.000 0.498 290 S N 1.107 117.112 115.700 0.509 0.000 2.605 290 S HA 0.530 4.999 4.470 -0.001 0.000 0.217 290 S C 0.832 175.789 174.600 0.596 0.000 0.958 290 S CA 0.343 58.925 58.200 0.635 0.000 0.919 290 S CB -0.630 63.155 63.200 0.975 0.000 0.780 290 S HN 1.057 nan 8.310 nan 0.000 0.507 291 A N 1.337 124.408 122.820 0.418 0.000 2.587 291 A HA 0.470 4.789 4.320 -0.001 0.000 0.235 291 A C 0.926 178.656 177.584 0.243 0.000 1.044 291 A CA 0.287 52.503 52.037 0.299 0.000 0.754 291 A CB -0.349 18.683 19.000 0.054 0.000 0.968 291 A HN 0.665 nan 8.150 nan 0.000 0.509 292 G N 1.500 110.295 108.800 -0.009 0.000 3.161 292 G HA2 0.365 4.324 3.960 -0.001 0.000 0.293 292 G HA3 0.365 4.324 3.960 -0.001 0.000 0.293 292 G C 0.969 175.749 174.900 -0.200 0.000 0.893 292 G CA 0.433 45.446 45.100 -0.145 0.000 1.756 292 G HN 1.223 nan 8.290 nan 0.000 0.549 293 S N 1.328 116.983 115.700 -0.074 0.000 2.470 293 S HA 0.068 4.537 4.470 -0.001 0.000 0.225 293 S C 1.237 175.806 174.600 -0.052 0.000 1.006 293 S CA -0.090 58.055 58.200 -0.093 0.000 0.934 293 S CB 0.205 63.372 63.200 -0.055 0.000 0.778 293 S HN 0.395 nan 8.310 nan 0.000 0.517 294 R N 1.108 121.600 120.500 -0.013 0.000 2.287 294 R HA 0.499 4.839 4.340 -0.001 0.000 0.316 294 R C -1.278 175.030 176.300 0.013 0.000 1.050 294 R CA -0.525 55.582 56.100 0.011 0.000 0.983 294 R CB 0.182 30.501 30.300 0.031 0.000 1.140 294 R HN 0.365 nan 8.270 nan 0.000 0.528 295 I N 5.856 126.430 120.570 0.006 0.000 2.371 295 I HA 0.165 4.334 4.170 -0.001 0.000 0.290 295 I C -0.196 175.928 176.117 0.011 0.000 1.028 295 I CA -0.368 60.930 61.300 -0.002 0.000 1.345 295 I CB 1.100 39.118 38.000 0.029 0.000 1.407 295 I HN 0.408 nan 8.210 nan 0.000 0.501 296 L N 7.688 128.919 121.223 0.012 0.000 2.298 296 L HA 0.585 4.925 4.340 -0.001 0.000 0.284 296 L C -0.528 176.419 176.870 0.127 0.000 1.013 296 L CA -0.639 54.264 54.840 0.105 0.000 0.824 296 L CB 1.803 43.912 42.059 0.084 0.000 1.221 296 L HN 0.346 nan 8.230 nan 0.000 0.418 297 V N 3.851 123.742 119.914 -0.038 0.000 2.656 297 V HA 0.335 4.455 4.120 -0.001 0.000 0.307 297 V C -0.272 175.356 176.094 -0.777 0.000 1.051 297 V CA -0.440 61.653 62.300 -0.346 0.000 0.893 297 V CB 2.251 33.778 31.823 -0.493 0.000 0.999 297 V HN 0.865 nan 8.190 nan 0.000 0.426 298 Q N 4.229 123.380 119.800 -1.082 0.000 2.330 298 Q HA 0.092 4.431 4.340 -0.001 0.000 0.279 298 Q C 1.020 176.676 176.000 -0.573 0.000 1.024 298 Q CA 0.164 55.200 55.803 -1.278 0.000 0.900 298 Q CB 0.719 29.024 28.738 -0.722 0.000 1.221 298 Q HN 0.846 nan 8.270 nan 0.000 0.396 299 N N 1.018 119.437 118.700 -0.468 0.000 2.137 299 N HA -0.211 4.528 4.740 -0.001 0.000 0.190 299 N C 1.574 177.009 175.510 -0.124 0.000 1.017 299 N CA 1.755 54.675 53.050 -0.217 0.000 0.859 299 N CB -0.295 38.105 38.487 -0.146 0.000 1.002 299 N HN 0.681 nan 8.380 nan 0.000 0.428 300 S N 0.648 116.281 115.700 -0.111 0.000 2.423 300 S HA -0.084 4.386 4.470 -0.001 0.000 0.231 300 S C 1.732 176.314 174.600 -0.030 0.000 1.014 300 S CA 0.841 59.010 58.200 -0.052 0.000 0.965 300 S CB -0.476 62.707 63.200 -0.030 0.000 0.785 300 S HN 0.567 nan 8.310 nan 0.000 0.495 301 I N -2.463 118.092 120.570 -0.026 0.000 4.081 301 I HA 0.469 4.638 4.170 -0.001 0.000 0.333 301 I C 1.643 177.829 176.117 0.115 0.000 1.413 301 I CA -0.532 60.799 61.300 0.051 0.000 1.110 301 I CB 0.157 38.233 38.000 0.126 0.000 1.082 301 I HN 0.042 nan 8.210 nan 0.000 0.402 302 K N 1.978 122.399 120.400 0.034 0.000 2.009 302 K HA -0.207 4.112 4.320 -0.001 0.000 0.210 302 K C 1.423 178.115 176.600 0.153 0.000 1.049 302 K CA 2.542 58.876 56.287 0.079 0.000 0.929 302 K CB -0.025 32.471 32.500 -0.007 0.000 0.714 302 K HN 0.312 nan 8.250 nan 0.000 0.440 303 D N 0.491 120.943 120.400 0.086 0.000 2.123 303 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 303 D C 1.787 178.143 176.300 0.094 0.000 0.992 303 D CA 1.090 55.133 54.000 0.073 0.000 0.833 303 D CB -0.093 40.727 40.800 0.033 0.000 0.954 303 D HN 0.309 nan 8.370 nan 0.000 0.455 304 K N -0.229 120.236 120.400 0.108 0.000 2.002 304 K HA -0.164 4.156 4.320 -0.001 0.000 0.209 304 K C 2.190 178.978 176.600 0.313 0.000 1.048 304 K CA 0.756 57.110 56.287 0.112 0.000 0.930 304 K CB -0.336 32.148 32.500 -0.026 0.000 0.714 304 K HN 0.040 nan 8.250 nan 0.000 0.438 305 F N 2.473 122.605 119.950 0.302 0.000 2.069 305 F HA -0.213 4.313 4.527 -0.001 0.000 0.298 305 F C 1.917 177.776 175.800 0.099 0.000 1.113 305 F CA 1.990 60.146 58.000 0.260 0.000 1.214 305 F CB -0.278 38.790 39.000 0.113 0.000 0.978 305 F HN 0.164 nan 8.300 nan 0.000 0.474 306 E N -0.554 119.663 120.200 0.030 0.000 2.118 306 E HA -0.259 4.090 4.350 -0.001 0.000 0.195 306 E C 2.167 178.689 176.600 -0.130 0.000 0.992 306 E CA 1.300 57.640 56.400 -0.101 0.000 0.804 306 E CB -0.201 29.527 29.700 0.047 0.000 0.741 306 E HN 0.479 nan 8.360 nan 0.000 0.458 307 Q N -0.112 119.660 119.800 -0.047 0.000 2.119 307 Q HA -0.059 4.280 4.340 -0.001 0.000 0.201 307 Q C 2.135 178.097 176.000 -0.064 0.000 0.972 307 Q CA 1.321 57.102 55.803 -0.038 0.000 0.847 307 Q CB -0.353 28.385 28.738 0.000 0.000 0.903 307 Q HN 0.268 nan 8.270 nan 0.000 0.433 308 A N 0.692 123.478 122.820 -0.055 0.000 1.898 308 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 308 A C 2.137 179.599 177.584 -0.203 0.000 1.181 308 A CA 1.237 53.240 52.037 -0.057 0.000 0.620 308 A CB -0.651 18.408 19.000 0.098 0.000 0.819 308 A HN 0.323 nan 8.150 nan 0.000 0.442 309 L N 0.057 121.033 121.223 -0.412 0.000 1.994 309 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 309 L C 2.270 179.015 176.870 -0.209 0.000 1.071 309 L CA 1.890 56.483 54.840 -0.412 0.000 0.745 309 L CB -0.453 41.211 42.059 -0.659 0.000 0.892 309 L HN 0.435 nan 8.230 nan 0.000 0.431 310 I N -0.355 120.113 120.570 -0.169 0.000 2.226 310 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 310 I C 1.940 178.002 176.117 -0.090 0.000 1.100 310 I CA 1.301 62.540 61.300 -0.102 0.000 1.374 310 I CB -0.544 37.413 38.000 -0.071 0.000 1.057 310 I HN 0.299 nan 8.210 nan 0.000 0.413 311 D N 0.556 120.906 120.400 -0.084 0.000 2.144 311 D HA -0.136 4.503 4.640 -0.001 0.000 0.199 311 D C 2.319 178.578 176.300 -0.069 0.000 0.984 311 D CA 0.922 54.884 54.000 -0.063 0.000 0.834 311 D CB -0.236 40.537 40.800 -0.045 0.000 0.955 311 D HN 0.170 nan 8.370 nan 0.000 0.465 312 R N 0.412 120.861 120.500 -0.085 0.000 2.090 312 R HA 0.014 4.353 4.340 -0.001 0.000 0.228 312 R C 2.365 178.606 176.300 -0.099 0.000 1.110 312 R CA 0.237 56.288 56.100 -0.081 0.000 0.973 312 R CB -0.878 29.370 30.300 -0.086 0.000 0.869 312 R HN 0.174 nan 8.270 nan 0.000 0.440 313 V N 1.741 121.580 119.914 -0.126 0.000 2.407 313 V HA -0.244 3.875 4.120 -0.001 0.000 0.248 313 V C 2.108 178.105 176.094 -0.162 0.000 1.055 313 V CA 1.701 63.887 62.300 -0.190 0.000 1.049 313 V CB -0.374 31.327 31.823 -0.203 0.000 0.662 313 V HN 0.319 nan 8.190 nan 0.000 0.455 314 K N 0.024 120.356 120.400 -0.114 0.000 2.280 314 K HA -0.155 4.164 4.320 -0.001 0.000 0.202 314 K C 1.802 178.352 176.600 -0.083 0.000 1.047 314 K CA 1.112 57.343 56.287 -0.093 0.000 0.942 314 K CB -0.146 32.311 32.500 -0.071 0.000 0.739 314 K HN 0.461 nan 8.250 nan 0.000 0.457 315 K N 0.530 120.883 120.400 -0.078 0.000 2.404 315 K HA 0.146 4.465 4.320 -0.001 0.000 0.194 315 K C 0.144 176.708 176.600 -0.059 0.000 1.023 315 K CA -0.003 56.249 56.287 -0.059 0.000 1.094 315 K CB 0.258 32.731 32.500 -0.044 0.000 0.841 315 K HN 0.078 nan 8.250 nan 0.000 0.523 316 I N 2.722 123.241 120.570 -0.085 0.000 2.533 316 I HA -0.032 4.137 4.170 -0.001 0.000 0.284 316 I C 0.243 176.329 176.117 -0.051 0.000 1.109 316 I CA -0.020 61.236 61.300 -0.073 0.000 1.412 316 I CB 0.442 38.363 38.000 -0.133 0.000 1.396 316 I HN -0.127 nan 8.210 nan 0.000 0.543 317 K N 8.124 128.511 120.400 -0.022 0.000 2.262 317 K HA 0.482 4.801 4.320 -0.001 0.000 0.282 317 K C -0.518 176.083 176.600 0.001 0.000 1.066 317 K CA -0.368 55.907 56.287 -0.020 0.000 0.901 317 K CB 1.058 33.552 32.500 -0.011 0.000 1.089 317 K HN 0.504 nan 8.250 nan 0.000 0.476 318 L N 1.187 122.393 121.223 -0.028 0.000 2.379 318 L HA 0.720 5.059 4.340 -0.001 0.000 0.269 318 L C 0.883 177.707 176.870 -0.077 0.000 1.084 318 L CA -0.507 54.326 54.840 -0.011 0.000 0.802 318 L CB 1.461 43.465 42.059 -0.092 0.000 1.175 318 L HN 0.783 nan 8.230 nan 0.000 0.448 319 G N 0.812 109.635 108.800 0.038 0.000 2.327 319 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.291 319 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.291 319 G C -1.674 173.388 174.900 0.269 0.000 1.290 319 G CA -0.824 44.312 45.100 0.059 0.000 0.857 319 G HN 0.468 nan 8.290 nan 0.000 0.520 320 N N 0.548 119.269 118.700 0.036 0.000 2.411 320 N HA 0.231 4.971 4.740 -0.001 0.000 0.261 320 N C 1.744 177.156 175.510 -0.162 0.000 1.248 320 N CA 1.029 53.858 53.050 -0.369 0.000 0.885 320 N CB 1.223 39.297 38.487 -0.689 0.000 1.062 320 N HN 0.968 nan 8.380 nan 0.000 0.471 321 G N 2.890 111.569 108.800 -0.202 0.000 2.462 321 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.220 321 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.220 321 G C 0.992 175.680 174.900 -0.354 0.000 1.121 321 G CA 0.475 45.403 45.100 -0.286 0.000 0.758 321 G HN 0.628 nan 8.290 nan 0.000 0.559 322 F N 0.581 120.434 119.950 -0.163 0.000 2.661 322 F HA 0.188 4.714 4.527 -0.001 0.000 0.298 322 F C 0.986 176.729 175.800 -0.095 0.000 1.137 322 F CA -0.226 57.697 58.000 -0.128 0.000 1.454 322 F CB 0.187 39.108 39.000 -0.132 0.000 1.103 322 F HN -0.021 nan 8.300 nan 0.000 0.577 323 D N 0.319 120.741 120.400 0.037 0.000 2.316 323 D HA 0.269 4.908 4.640 -0.001 0.000 0.245 323 D C 1.197 177.502 176.300 0.008 0.000 1.171 323 D CA 0.150 54.161 54.000 0.019 0.000 0.856 323 D CB 1.557 42.352 40.800 -0.008 0.000 1.090 323 D HN 0.118 nan 8.370 nan 0.000 0.476 324 A N 4.131 126.965 122.820 0.022 0.000 2.076 324 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 324 A C 1.584 179.173 177.584 0.009 0.000 1.160 324 A CA 1.172 53.220 52.037 0.019 0.000 0.653 324 A CB -0.055 18.962 19.000 0.028 0.000 0.801 324 A HN 0.571 nan 8.150 nan 0.000 0.455 325 D N -0.436 119.969 120.400 0.007 0.000 2.323 325 D HA 0.011 4.651 4.640 -0.001 0.000 0.209 325 D C 0.274 176.576 176.300 0.004 0.000 0.973 325 D CA 0.583 54.586 54.000 0.005 0.000 0.874 325 D CB -0.267 40.534 40.800 0.002 0.000 0.930 325 D HN 0.258 nan 8.370 nan 0.000 0.521 326 T N 0.914 115.469 114.554 0.003 0.000 2.888 326 T HA 0.060 4.409 4.350 -0.001 0.000 0.301 326 T C 1.245 175.955 174.700 0.017 0.000 1.001 326 T CA 0.287 62.395 62.100 0.013 0.000 1.147 326 T CB 1.290 70.167 68.868 0.015 0.000 0.931 326 T HN 0.085 nan 8.240 nan 0.000 0.541 327 E N 2.042 122.265 120.200 0.038 0.000 2.340 327 E HA 0.249 4.598 4.350 -0.001 0.000 0.198 327 E C 0.329 176.985 176.600 0.093 0.000 0.961 327 E CA 0.205 56.638 56.400 0.056 0.000 0.905 327 E CB 0.607 30.344 29.700 0.061 0.000 0.884 327 E HN 0.474 nan 8.360 nan 0.000 0.491 328 M N 0.566 120.235 119.600 0.115 0.000 2.271 328 M HA 0.404 4.884 4.480 -0.001 0.000 0.285 328 M C -0.545 175.899 176.300 0.239 0.000 1.059 328 M CA -0.495 54.908 55.300 0.173 0.000 0.940 328 M CB 1.794 34.506 32.600 0.187 0.000 1.636 328 M HN 0.085 nan 8.290 nan 0.000 0.460 329 G N 3.605 112.533 108.800 0.213 0.000 2.510 329 G HA2 0.707 4.666 3.960 -0.001 0.000 0.280 329 G HA3 0.707 4.666 3.960 -0.001 0.000 0.280 329 G C -2.926 172.033 174.900 0.099 0.000 1.386 329 G CA -0.950 44.289 45.100 0.233 0.000 1.047 329 G HN 0.442 nan 8.290 nan 0.000 0.527 330 P HA 0.290 nan 4.420 nan 0.000 0.277 330 P C 0.274 177.453 177.300 -0.201 0.000 1.271 330 P CA -0.269 62.428 63.100 -0.672 0.000 0.795 330 P CB 1.145 32.232 31.700 -1.021 0.000 1.101 331 V N -1.848 117.979 119.914 -0.146 0.000 3.170 331 V HA 0.203 4.322 4.120 -0.001 0.000 0.309 331 V C 1.614 177.637 176.094 -0.119 0.000 1.071 331 V CA -0.257 62.015 62.300 -0.047 0.000 1.063 331 V CB 0.082 31.927 31.823 0.037 0.000 1.123 331 V HN 0.397 nan 8.190 nan 0.000 0.464 332 I N 1.425 121.887 120.570 -0.180 0.000 2.500 332 I HA 0.087 4.256 4.170 -0.001 0.000 0.252 332 I C 1.042 176.973 176.117 -0.309 0.000 1.142 332 I CA 1.755 62.858 61.300 -0.328 0.000 1.451 332 I CB 0.011 37.524 38.000 -0.812 0.000 1.093 332 I HN 1.120 nan 8.210 nan 0.000 0.430 333 S N -3.515 112.026 115.700 -0.264 0.000 2.615 333 S HA 0.285 4.754 4.470 -0.001 0.000 0.269 333 S C 0.582 175.119 174.600 -0.106 0.000 1.161 333 S CA -0.119 57.967 58.200 -0.190 0.000 0.817 333 S CB 0.918 63.967 63.200 -0.251 0.000 1.131 333 S HN -0.004 nan 8.310 nan 0.000 0.467 334 T N 1.319 115.827 114.554 -0.076 0.000 2.746 334 T HA -0.056 4.293 4.350 -0.001 0.000 0.267 334 T C 1.487 176.165 174.700 -0.037 0.000 1.039 334 T CA 1.932 64.006 62.100 -0.044 0.000 1.142 334 T CB -0.562 68.288 68.868 -0.030 0.000 0.866 334 T HN 0.714 nan 8.240 nan 0.000 0.444 335 E N -0.100 120.077 120.200 -0.038 0.000 2.085 335 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 335 E C 2.155 178.765 176.600 0.017 0.000 0.994 335 E CA 1.320 57.713 56.400 -0.012 0.000 0.801 335 E CB -0.136 29.557 29.700 -0.011 0.000 0.743 335 E HN 0.524 nan 8.360 nan 0.000 0.453 336 H N 0.350 119.348 119.070 -0.121 0.000 2.403 336 H HA 0.046 4.601 4.556 -0.001 0.000 0.298 336 H C 2.029 177.306 175.328 -0.084 0.000 1.059 336 H CA 1.545 57.534 56.048 -0.098 0.000 1.363 336 H CB 0.143 29.777 29.762 -0.214 0.000 1.410 336 H HN -0.080 nan 8.280 nan 0.000 0.528 337 R N 0.030 120.443 120.500 -0.144 0.000 2.096 337 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 337 R C 1.636 177.833 176.300 -0.171 0.000 1.127 337 R CA 1.589 57.575 56.100 -0.189 0.000 0.968 337 R CB 0.004 30.272 30.300 -0.054 0.000 0.861 337 R HN 0.321 nan 8.270 nan 0.000 0.440 338 N N 0.971 119.618 118.700 -0.089 0.000 2.166 338 N HA -0.205 4.534 4.740 -0.001 0.000 0.186 338 N C 1.451 176.920 175.510 -0.069 0.000 1.019 338 N CA 1.300 54.318 53.050 -0.053 0.000 0.856 338 N CB -0.229 38.244 38.487 -0.023 0.000 0.993 338 N HN 0.318 nan 8.380 nan 0.000 0.426 339 K N 1.041 121.395 120.400 -0.076 0.000 2.026 339 K HA -0.054 4.265 4.320 -0.001 0.000 0.208 339 K C 2.003 178.599 176.600 -0.006 0.000 1.048 339 K CA 0.928 57.205 56.287 -0.017 0.000 0.929 339 K CB -0.182 32.351 32.500 0.056 0.000 0.713 339 K HN 0.067 nan 8.250 nan 0.000 0.439 340 I N 1.430 121.864 120.570 -0.226 0.000 2.163 340 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 340 I C 2.306 178.270 176.117 -0.255 0.000 1.085 340 I CA 1.576 62.677 61.300 -0.331 0.000 1.347 340 I CB -0.281 37.266 38.000 -0.755 0.000 1.044 340 I HN 0.298 nan 8.210 nan 0.000 0.408 341 E N 0.548 120.595 120.200 -0.254 0.000 2.058 341 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 341 E C 2.295 178.919 176.600 0.040 0.000 0.997 341 E CA 1.952 58.344 56.400 -0.013 0.000 0.801 341 E CB -0.168 29.567 29.700 0.058 0.000 0.746 341 E HN 0.575 nan 8.360 nan 0.000 0.450 342 S N -0.051 115.643 115.700 -0.009 0.000 2.399 342 S HA -0.188 4.281 4.470 -0.001 0.000 0.231 342 S C 1.861 176.420 174.600 -0.069 0.000 1.022 342 S CA 0.829 58.998 58.200 -0.051 0.000 0.983 342 S CB -0.482 62.650 63.200 -0.113 0.000 0.803 342 S HN 0.274 nan 8.310 nan 0.000 0.480 343 Y N 1.267 121.559 120.300 -0.013 0.000 2.439 343 Y HA 0.133 4.682 4.550 -0.001 0.000 0.292 343 Y C 2.537 178.460 175.900 0.039 0.000 1.130 343 Y CA 0.869 58.975 58.100 0.011 0.000 1.254 343 Y CB -0.319 38.141 38.460 -0.001 0.000 1.000 343 Y HN 0.223 nan 8.280 nan 0.000 0.554 344 M N -0.491 119.223 119.600 0.191 0.000 2.175 344 M HA -0.198 4.281 4.480 -0.001 0.000 0.264 344 M C 1.446 177.818 176.300 0.119 0.000 1.063 344 M CA 1.369 56.775 55.300 0.177 0.000 1.119 344 M CB -0.919 31.812 32.600 0.218 0.000 1.377 344 M HN 0.233 nan 8.290 nan 0.000 0.415 345 D N 0.112 120.561 120.400 0.082 0.000 2.117 345 D HA -0.074 4.565 4.640 -0.001 0.000 0.198 345 D C 2.285 178.609 176.300 0.040 0.000 0.982 345 D CA 1.021 55.050 54.000 0.048 0.000 0.828 345 D CB -0.078 40.735 40.800 0.021 0.000 0.967 345 D HN 0.158 nan 8.370 nan 0.000 0.464 346 V N 1.852 121.784 119.914 0.030 0.000 2.295 346 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 346 V C 2.636 178.777 176.094 0.079 0.000 1.049 346 V CA 1.853 64.172 62.300 0.032 0.000 1.024 346 V CB -0.840 30.975 31.823 -0.014 0.000 0.648 346 V HN 0.162 nan 8.190 nan 0.000 0.447 347 A N -0.282 122.609 122.820 0.119 0.000 1.883 347 A HA -0.276 4.043 4.320 -0.001 0.000 0.217 347 A C 2.311 179.942 177.584 0.080 0.000 1.186 347 A CA 2.234 54.338 52.037 0.111 0.000 0.624 347 A CB -0.474 18.603 19.000 0.127 0.000 0.822 347 A HN 0.552 nan 8.150 nan 0.000 0.444 348 K N -0.588 119.855 120.400 0.072 0.000 2.057 348 K HA -0.009 4.310 4.320 -0.001 0.000 0.206 348 K C 2.273 178.899 176.600 0.044 0.000 1.050 348 K CA 1.059 57.380 56.287 0.055 0.000 0.935 348 K CB -0.303 32.228 32.500 0.052 0.000 0.715 348 K HN 0.435 nan 8.250 nan 0.000 0.439 349 A N 1.477 124.321 122.820 0.041 0.000 2.015 349 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 349 A C 1.537 179.140 177.584 0.032 0.000 1.163 349 A CA 1.352 53.407 52.037 0.031 0.000 0.646 349 A CB -0.223 18.791 19.000 0.022 0.000 0.806 349 A HN 0.298 nan 8.150 nan 0.000 0.448 350 E N -1.833 118.392 120.200 0.042 0.000 2.479 350 E HA 0.272 4.621 4.350 -0.001 0.000 0.193 350 E C 1.043 177.668 176.600 0.042 0.000 1.049 350 E CA 0.296 56.721 56.400 0.043 0.000 0.870 350 E CB 0.091 29.823 29.700 0.054 0.000 0.944 350 E HN 0.715 nan 8.360 nan 0.000 0.492 351 G N 1.009 109.833 108.800 0.041 0.000 2.184 351 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.206 351 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.206 351 G C 0.348 175.272 174.900 0.042 0.000 0.995 351 G CA -0.105 45.017 45.100 0.038 0.000 0.651 351 G HN 0.423 nan 8.290 nan 0.000 0.511 352 A N -0.180 122.670 122.820 0.050 0.000 2.272 352 A HA 0.794 5.113 4.320 -0.001 0.000 0.275 352 A C 0.516 178.131 177.584 0.051 0.000 1.096 352 A CA 0.878 52.947 52.037 0.053 0.000 0.822 352 A CB 0.606 19.646 19.000 0.065 0.000 1.088 352 A HN 0.714 nan 8.150 nan 0.000 0.495 353 T N 1.883 116.467 114.554 0.049 0.000 2.797 353 T HA 0.431 4.780 4.350 -0.001 0.000 0.279 353 T C -0.139 174.592 174.700 0.051 0.000 0.991 353 T CA -0.227 61.899 62.100 0.044 0.000 0.979 353 T CB 0.658 69.547 68.868 0.036 0.000 0.943 353 T HN 0.360 nan 8.240 nan 0.000 0.444 354 I N 3.524 124.124 120.570 0.050 0.000 2.278 354 I HA 0.219 4.388 4.170 -0.001 0.000 0.296 354 I C 1.461 177.599 176.117 0.035 0.000 1.121 354 I CA -0.399 60.934 61.300 0.054 0.000 1.267 354 I CB -0.315 37.721 38.000 0.059 0.000 1.447 354 I HN 0.796 nan 8.210 nan 0.000 0.509 355 A N 5.709 128.550 122.820 0.035 0.000 1.969 355 A HA 0.097 4.416 4.320 -0.001 0.000 0.218 355 A C 0.987 178.574 177.584 0.004 0.000 1.169 355 A CA 0.945 52.993 52.037 0.018 0.000 0.635 355 A CB 0.333 19.345 19.000 0.019 0.000 0.810 355 A HN 0.509 nan 8.150 nan 0.000 0.445 356 V N -3.171 116.746 119.914 0.006 0.000 3.108 356 V HA 0.556 4.676 4.120 -0.001 0.000 0.287 356 V C 0.213 176.297 176.094 -0.018 0.000 1.436 356 V CA 0.388 62.677 62.300 -0.018 0.000 1.001 356 V CB 1.300 33.101 31.823 -0.036 0.000 1.141 356 V HN 2.013 nan 8.190 nan 0.000 0.443 357 G N 3.899 112.666 108.800 -0.054 0.000 2.525 357 G HA2 0.372 4.331 3.960 -0.001 0.000 0.248 357 G HA3 0.372 4.331 3.960 -0.001 0.000 0.248 357 G C 1.340 176.181 174.900 -0.097 0.000 1.238 357 G CA 0.851 45.894 45.100 -0.095 0.000 0.926 357 G HN 2.730 nan 8.290 nan 0.000 0.574 358 G N -1.385 107.336 108.800 -0.132 0.000 2.157 358 G HA2 0.170 4.129 3.960 -0.001 0.000 0.239 358 G HA3 0.170 4.129 3.960 -0.001 0.000 0.239 358 G C 0.153 174.932 174.900 -0.202 0.000 0.982 358 G CA 1.845 46.931 45.100 -0.022 0.000 0.650 358 G HN 2.098 nan 8.290 nan 0.000 0.527 359 K N -0.990 119.038 120.400 -0.620 0.000 2.533 359 K HA 0.757 5.076 4.320 -0.001 0.000 0.272 359 K C -0.121 176.073 176.600 -0.677 0.000 0.985 359 K CA -1.362 54.635 56.287 -0.483 0.000 0.876 359 K CB 1.429 33.814 32.500 -0.191 0.000 1.452 359 K HN 0.132 nan 8.250 nan 0.000 0.439 360 R N 0.943 121.291 120.500 -0.253 0.000 2.537 360 R HA 0.187 4.527 4.340 -0.001 0.000 0.280 360 R C -2.256 173.994 176.300 -0.084 0.000 1.058 360 R CA -1.527 54.526 56.100 -0.077 0.000 1.057 360 R CB -0.117 30.227 30.300 0.072 0.000 0.973 360 R HN 0.426 nan 8.270 nan 0.000 0.438 361 P HA 0.049 nan 4.420 nan 0.000 0.274 361 P C -0.387 176.896 177.300 -0.028 0.000 1.231 361 P CA 0.021 63.086 63.100 -0.058 0.000 0.790 361 P CB 0.694 32.346 31.700 -0.080 0.000 0.951 362 D N 0.104 120.478 120.400 -0.044 0.000 2.503 362 D HA 0.072 4.711 4.640 -0.001 0.000 0.218 362 D C 0.025 176.301 176.300 -0.041 0.000 1.183 362 D CA 0.007 53.990 54.000 -0.029 0.000 0.827 362 D CB 0.254 41.039 40.800 -0.024 0.000 1.034 362 D HN 0.036 nan 8.370 nan 0.000 0.510 363 R N 0.823 121.285 120.500 -0.063 0.000 2.694 363 R HA 0.079 4.418 4.340 -0.001 0.000 0.268 363 R C 0.687 176.949 176.300 -0.062 0.000 1.061 363 R CA -0.028 56.033 56.100 -0.065 0.000 1.133 363 R CB 0.436 30.688 30.300 -0.081 0.000 1.020 363 R HN 0.045 nan 8.270 nan 0.000 0.475 364 D N 1.062 121.434 120.400 -0.046 0.000 2.116 364 D HA -0.191 4.448 4.640 -0.001 0.000 0.193 364 D C 1.131 177.408 176.300 -0.039 0.000 0.998 364 D CA 1.842 55.821 54.000 -0.035 0.000 0.836 364 D CB 0.004 40.791 40.800 -0.022 0.000 0.951 364 D HN 0.613 nan 8.370 nan 0.000 0.449 365 D N -0.226 120.149 120.400 -0.042 0.000 2.378 365 D HA -0.096 4.543 4.640 -0.001 0.000 0.227 365 D C 1.626 177.877 176.300 -0.080 0.000 1.012 365 D CA 0.408 54.398 54.000 -0.017 0.000 0.905 365 D CB -0.047 40.762 40.800 0.015 0.000 0.895 365 D HN 0.319 nan 8.370 nan 0.000 0.532 366 L N -0.489 120.636 121.223 -0.163 0.000 2.717 366 L HA 0.167 4.506 4.340 -0.001 0.000 0.239 366 L C 2.432 179.291 176.870 -0.018 0.000 1.086 366 L CA -0.221 54.452 54.840 -0.278 0.000 0.897 366 L CB 0.057 41.825 42.059 -0.485 0.000 1.214 366 L HN -0.120 nan 8.230 nan 0.000 0.508 367 K N 0.899 121.280 120.400 -0.031 0.000 2.209 367 K HA -0.184 4.136 4.320 -0.001 0.000 0.204 367 K C 0.975 177.585 176.600 0.017 0.000 1.048 367 K CA 1.765 58.054 56.287 0.004 0.000 0.940 367 K CB 0.141 32.632 32.500 -0.014 0.000 0.729 367 K HN 0.192 nan 8.250 nan 0.000 0.451 368 D N 0.247 120.637 120.400 -0.016 0.000 2.333 368 D HA 0.043 4.683 4.640 -0.001 0.000 0.208 368 D C 0.780 177.057 176.300 -0.038 0.000 0.984 368 D CA 0.601 54.577 54.000 -0.041 0.000 0.873 368 D CB 0.300 41.048 40.800 -0.087 0.000 0.935 368 D HN 0.366 nan 8.370 nan 0.000 0.521 369 G N -0.229 108.596 108.800 0.041 0.000 2.511 369 G HA2 0.467 4.426 3.960 -0.001 0.000 0.316 369 G HA3 0.467 4.426 3.960 -0.001 0.000 0.316 369 G C -0.056 174.885 174.900 0.068 0.000 1.210 369 G CA -0.657 44.473 45.100 0.050 0.000 0.969 369 G HN 0.094 nan 8.290 nan 0.000 0.492 370 L N 0.910 122.048 121.223 -0.141 0.000 2.934 370 L HA 0.285 4.624 4.340 -0.001 0.000 0.233 370 L C -0.492 176.284 176.870 -0.156 0.000 1.358 370 L CA -0.306 54.467 54.840 -0.111 0.000 1.233 370 L CB -0.850 41.128 42.059 -0.135 0.000 1.594 370 L HN 0.180 nan 8.230 nan 0.000 0.439 371 F N 0.055 120.057 119.950 0.086 0.000 2.370 371 F HA 0.419 4.945 4.527 -0.001 0.000 0.324 371 F C 0.023 175.938 175.800 0.193 0.000 1.116 371 F CA -0.131 57.941 58.000 0.119 0.000 1.123 371 F CB 1.034 40.078 39.000 0.073 0.000 1.238 371 F HN -0.089 nan 8.300 nan 0.000 0.536 372 F N 1.040 121.122 119.950 0.220 0.000 2.588 372 F HA 0.313 4.839 4.527 -0.001 0.000 0.314 372 F C -0.592 175.284 175.800 0.127 0.000 1.134 372 F CA -0.847 57.231 58.000 0.130 0.000 0.961 372 F CB 1.282 40.328 39.000 0.076 0.000 1.239 372 F HN 0.472 nan 8.300 nan 0.000 0.448 373 E N 6.422 126.386 120.200 -0.394 0.000 2.392 373 E HA 0.168 4.517 4.350 -0.001 0.000 0.264 373 E C -2.300 174.282 176.600 -0.032 0.000 1.024 373 E CA -1.595 54.686 56.400 -0.198 0.000 0.903 373 E CB 0.290 29.816 29.700 -0.290 0.000 0.963 373 E HN 0.208 nan 8.360 nan 0.000 0.432 374 P HA -0.029 nan 4.420 nan 0.000 0.265 374 P C -0.823 176.453 177.300 -0.040 0.000 1.193 374 P CA 0.185 63.218 63.100 -0.112 0.000 0.765 374 P CB 0.679 32.032 31.700 -0.579 0.000 0.823 375 T N 2.064 116.739 114.554 0.203 0.000 2.886 375 T HA 0.401 4.750 4.350 -0.001 0.000 0.292 375 T C -0.517 174.326 174.700 0.238 0.000 1.012 375 T CA -0.450 61.764 62.100 0.189 0.000 0.982 375 T CB 1.351 70.375 68.868 0.260 0.000 1.018 375 T HN 0.047 nan 8.240 nan 0.000 0.451 376 V N 4.429 124.428 119.914 0.142 0.000 2.444 376 V HA 0.489 4.608 4.120 -0.001 0.000 0.294 376 V C -0.743 175.405 176.094 0.089 0.000 1.022 376 V CA -0.902 61.472 62.300 0.123 0.000 0.850 376 V CB 1.486 33.357 31.823 0.081 0.000 0.992 376 V HN 0.716 nan 8.190 nan 0.000 0.426 377 I N 4.885 125.508 120.570 0.089 0.000 2.339 377 I HA 0.545 4.714 4.170 -0.001 0.000 0.290 377 I C 0.636 176.794 176.117 0.069 0.000 0.994 377 I CA -0.010 61.337 61.300 0.079 0.000 1.191 377 I CB 1.617 39.667 38.000 0.084 0.000 1.343 377 I HN 0.798 nan 8.210 nan 0.000 0.458 378 T N 1.957 116.548 114.554 0.061 0.000 2.841 378 T HA 0.445 4.794 4.350 -0.001 0.000 0.276 378 T C 0.286 175.017 174.700 0.051 0.000 1.003 378 T CA -0.703 61.431 62.100 0.057 0.000 0.995 378 T CB 1.119 70.017 68.868 0.049 0.000 1.260 378 T HN 0.478 nan 8.240 nan 0.000 0.581 379 N N 0.001 118.729 118.700 0.047 0.000 2.705 379 N HA -0.145 4.594 4.740 -0.001 0.000 0.255 379 N C 0.151 175.687 175.510 0.044 0.000 1.008 379 N CA 0.905 53.980 53.050 0.041 0.000 0.742 379 N CB -2.347 36.161 38.487 0.036 0.000 0.906 379 N HN 1.034 nan 8.380 nan 0.000 0.541 380 C N -1.949 117.380 119.300 0.048 0.000 2.973 380 C HA 0.919 5.378 4.460 -0.001 0.000 0.329 380 C C 0.180 175.199 174.990 0.048 0.000 1.327 380 C CA -0.969 58.080 59.018 0.050 0.000 1.632 380 C CB 1.707 29.481 27.740 0.057 0.000 2.098 380 C HN 0.574 nan 8.230 nan 0.000 0.469 381 D N -2.091 118.338 120.400 0.048 0.000 2.596 381 D HA 0.355 4.994 4.640 -0.001 0.000 0.262 381 D C 0.448 176.777 176.300 0.048 0.000 1.210 381 D CA -0.255 53.773 54.000 0.046 0.000 0.873 381 D CB 1.226 42.050 40.800 0.040 0.000 1.408 381 D HN 0.523 nan 8.370 nan 0.000 0.441 382 T N -1.075 113.505 114.554 0.044 0.000 2.946 382 T HA -0.143 4.206 4.350 -0.001 0.000 0.271 382 T C 1.605 176.332 174.700 0.045 0.000 1.104 382 T CA 1.977 64.103 62.100 0.044 0.000 1.114 382 T CB -0.665 68.225 68.868 0.036 0.000 0.867 382 T HN 0.471 nan 8.240 nan 0.000 0.513 383 S N -0.125 115.601 115.700 0.043 0.000 2.489 383 S HA 0.204 4.673 4.470 -0.001 0.000 0.228 383 S C 0.808 175.439 174.600 0.051 0.000 0.995 383 S CA -0.054 58.171 58.200 0.042 0.000 0.934 383 S CB -0.437 62.785 63.200 0.036 0.000 0.771 383 S HN 0.492 nan 8.310 nan 0.000 0.522 384 M N 1.486 121.121 119.600 0.058 0.000 2.235 384 M HA 0.344 4.824 4.480 -0.001 0.000 0.351 384 M C 1.502 177.856 176.300 0.091 0.000 1.178 384 M CA -0.406 54.936 55.300 0.071 0.000 1.143 384 M CB 0.854 33.497 32.600 0.072 0.000 1.530 384 M HN 0.068 nan 8.290 nan 0.000 0.461 385 R N 0.953 121.519 120.500 0.111 0.000 2.091 385 R HA -0.159 4.180 4.340 -0.001 0.000 0.238 385 R C 1.858 178.272 176.300 0.190 0.000 1.136 385 R CA 1.314 57.510 56.100 0.159 0.000 0.959 385 R CB -0.461 29.948 30.300 0.182 0.000 0.856 385 R HN 0.608 nan 8.270 nan 0.000 0.437 386 I N 0.544 121.222 120.570 0.180 0.000 2.423 386 I HA -0.228 3.941 4.170 -0.001 0.000 0.254 386 I C 1.786 177.942 176.117 0.065 0.000 1.151 386 I CA 1.337 62.721 61.300 0.141 0.000 1.421 386 I CB 0.133 38.218 38.000 0.142 0.000 1.079 386 I HN -0.092 nan 8.210 nan 0.000 0.431 387 V N -0.237 119.723 119.914 0.076 0.000 2.446 387 V HA -0.132 3.987 4.120 -0.001 0.000 0.244 387 V C 2.327 178.465 176.094 0.073 0.000 1.039 387 V CA 1.244 63.581 62.300 0.062 0.000 1.045 387 V CB -0.580 31.280 31.823 0.062 0.000 0.681 387 V HN 0.381 nan 8.190 nan 0.000 0.459 388 Q N 0.302 120.159 119.800 0.094 0.000 2.245 388 Q HA 0.042 4.381 4.340 -0.001 0.000 0.201 388 Q C 0.617 176.716 176.000 0.167 0.000 0.955 388 Q CA 0.657 56.532 55.803 0.118 0.000 0.870 388 Q CB 0.143 28.943 28.738 0.104 0.000 0.945 388 Q HN 0.690 nan 8.270 nan 0.000 0.461 389 E N 1.006 121.291 120.200 0.141 0.000 2.204 389 E HA 0.200 4.550 4.350 -0.001 0.000 0.276 389 E C -0.749 175.870 176.600 0.032 0.000 0.974 389 E CA -0.352 56.146 56.400 0.163 0.000 0.815 389 E CB 1.330 31.167 29.700 0.229 0.000 1.119 389 E HN 0.029 nan 8.360 nan 0.000 0.393 390 E N 2.482 122.737 120.200 0.092 0.000 2.220 390 E HA 0.027 4.376 4.350 -0.001 0.000 0.272 390 E C 0.251 176.815 176.600 -0.060 0.000 1.099 390 E CA -0.220 56.181 56.400 0.002 0.000 0.907 390 E CB 0.664 30.352 29.700 -0.019 0.000 1.022 390 E HN 0.326 nan 8.360 nan 0.000 0.428 391 V N 5.346 125.162 119.914 -0.162 0.000 2.446 391 V HA -0.089 4.030 4.120 -0.001 0.000 0.244 391 V C 0.909 177.087 176.094 0.139 0.000 1.039 391 V CA 0.691 62.834 62.300 -0.261 0.000 1.045 391 V CB -0.715 30.887 31.823 -0.370 0.000 0.681 391 V HN 0.967 nan 8.190 nan 0.000 0.459 392 F N 0.619 120.565 119.950 -0.006 0.000 3.071 392 F HA -0.106 4.421 4.527 -0.001 0.000 0.295 392 F C 0.559 176.492 175.800 0.221 0.000 0.919 392 F CA 0.607 58.689 58.000 0.137 0.000 1.050 392 F CB -1.079 38.066 39.000 0.241 0.000 1.040 392 F HN 0.258 nan 8.300 nan 0.000 0.692 393 G N -0.172 108.675 108.800 0.078 0.000 3.022 393 G HA2 0.679 4.638 3.960 -0.001 0.000 0.284 393 G HA3 0.679 4.638 3.960 -0.001 0.000 0.284 393 G C -2.989 171.945 174.900 0.056 0.000 1.375 393 G CA -0.738 44.382 45.100 0.032 0.000 0.902 393 G HN -0.106 nan 8.290 nan 0.000 0.538 394 P HA 0.332 nan 4.420 nan 0.000 0.220 394 P C -0.789 176.750 177.300 0.398 0.000 1.806 394 P CA -0.071 63.232 63.100 0.339 0.000 0.976 394 P CB 0.302 32.258 31.700 0.427 0.000 1.952 395 V N 2.180 122.198 119.914 0.174 0.000 2.686 395 V HA 0.427 4.546 4.120 -0.001 0.000 0.306 395 V C 0.229 176.324 176.094 0.001 0.000 1.065 395 V CA -0.974 61.417 62.300 0.151 0.000 0.894 395 V CB 2.625 34.509 31.823 0.101 0.000 1.004 395 V HN 0.218 nan 8.190 nan 0.000 0.424 396 V N 1.298 121.224 119.914 0.021 0.000 2.823 396 V HA 0.978 5.097 4.120 -0.001 0.000 0.312 396 V C -0.104 176.008 176.094 0.031 0.000 1.072 396 V CA -0.422 61.854 62.300 -0.039 0.000 0.937 396 V CB 2.087 33.840 31.823 -0.117 0.000 1.013 396 V HN 0.962 nan 8.190 nan 0.000 0.430 397 T N 0.464 115.032 114.554 0.024 0.000 2.925 397 T HA 0.810 5.159 4.350 -0.001 0.000 0.285 397 T C -0.581 174.155 174.700 0.060 0.000 1.021 397 T CA -0.761 61.368 62.100 0.049 0.000 1.042 397 T CB 1.669 70.564 68.868 0.045 0.000 1.037 397 T HN 1.021 nan 8.240 nan 0.000 0.481 398 V N 2.118 122.078 119.914 0.077 0.000 2.380 398 V HA 0.449 4.568 4.120 -0.001 0.000 0.286 398 V C -0.300 175.838 176.094 0.073 0.000 1.015 398 V CA -0.715 61.642 62.300 0.096 0.000 0.834 398 V CB 1.003 32.916 31.823 0.149 0.000 1.009 398 V HN 0.968 nan 8.190 nan 0.000 0.428 399 E N 2.333 122.569 120.200 0.061 0.000 2.207 399 E HA 0.706 5.055 4.350 -0.001 0.000 0.270 399 E C 0.215 176.844 176.600 0.048 0.000 0.927 399 E CA -0.541 55.894 56.400 0.058 0.000 0.799 399 E CB 2.383 32.123 29.700 0.066 0.000 1.172 399 E HN 0.780 nan 8.360 nan 0.000 0.404 400 G N 1.205 110.021 108.800 0.027 0.000 2.434 400 G HA2 0.601 4.560 3.960 -0.001 0.000 0.330 400 G HA3 0.601 4.560 3.960 -0.001 0.000 0.330 400 G C -1.107 173.818 174.900 0.041 0.000 1.155 400 G CA -0.460 44.614 45.100 -0.044 0.000 0.917 400 G HN 0.397 nan 8.290 nan 0.000 0.493 401 F N -0.867 119.038 119.950 -0.075 0.000 2.613 401 F HA 0.718 5.245 4.527 -0.001 0.000 0.310 401 F C 0.418 176.185 175.800 -0.055 0.000 1.085 401 F CA -1.351 56.607 58.000 -0.071 0.000 0.945 401 F CB 2.197 41.130 39.000 -0.111 0.000 1.298 401 F HN 0.499 nan 8.300 nan 0.000 0.455 402 E N 0.964 121.257 120.200 0.154 0.000 2.079 402 E HA 0.140 4.490 4.350 -0.001 0.000 0.191 402 E C 0.520 177.250 176.600 0.216 0.000 0.961 402 E CA 1.591 58.041 56.400 0.083 0.000 0.823 402 E CB 0.165 29.908 29.700 0.073 0.000 0.789 402 E HN 0.851 nan 8.360 nan 0.000 0.459 403 T N -2.647 112.098 114.554 0.317 0.000 2.926 403 T HA 0.308 4.657 4.350 -0.001 0.000 0.289 403 T C 0.953 175.851 174.700 0.331 0.000 1.054 403 T CA -0.315 61.966 62.100 0.303 0.000 1.015 403 T CB 1.321 70.292 68.868 0.171 0.000 1.167 403 T HN 0.123 nan 8.240 nan 0.000 0.526 404 E N 0.109 120.503 120.200 0.325 0.000 2.085 404 E HA -0.272 4.077 4.350 -0.001 0.000 0.194 404 E C 1.812 178.459 176.600 0.078 0.000 0.994 404 E CA 1.536 58.110 56.400 0.291 0.000 0.801 404 E CB -0.120 29.717 29.700 0.228 0.000 0.743 404 E HN 0.658 nan 8.360 nan 0.000 0.453 405 Q N 0.604 120.444 119.800 0.067 0.000 2.124 405 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 405 Q C 1.917 177.910 176.000 -0.011 0.000 0.977 405 Q CA 1.754 57.570 55.803 0.021 0.000 0.850 405 Q CB -0.161 28.596 28.738 0.031 0.000 0.901 405 Q HN 0.400 nan 8.270 nan 0.000 0.429 406 E N -0.143 120.064 120.200 0.012 0.000 2.072 406 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 406 E C 1.819 178.343 176.600 -0.125 0.000 0.985 406 E CA 0.862 57.263 56.400 0.001 0.000 0.801 406 E CB -0.103 29.655 29.700 0.096 0.000 0.750 406 E HN 0.357 nan 8.360 nan 0.000 0.452 407 A N 1.045 123.641 122.820 -0.373 0.000 1.883 407 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 407 A C 2.141 179.515 177.584 -0.350 0.000 1.186 407 A CA 1.542 53.124 52.037 -0.760 0.000 0.624 407 A CB -0.675 17.435 19.000 -1.483 0.000 0.822 407 A HN 0.336 nan 8.150 nan 0.000 0.444 408 I N -0.706 119.739 120.570 -0.208 0.000 2.226 408 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 408 I C 2.813 178.873 176.117 -0.094 0.000 1.100 408 I CA 1.788 63.014 61.300 -0.123 0.000 1.374 408 I CB -0.335 37.621 38.000 -0.073 0.000 1.057 408 I HN 0.553 nan 8.210 nan 0.000 0.413 409 Q N 1.224 120.980 119.800 -0.074 0.000 2.050 409 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 409 Q C 2.377 178.353 176.000 -0.041 0.000 0.980 409 Q CA 1.690 57.466 55.803 -0.044 0.000 0.840 409 Q CB -0.063 28.661 28.738 -0.024 0.000 0.898 409 Q HN 0.508 nan 8.270 nan 0.000 0.424 410 L N 0.253 121.446 121.223 -0.051 0.000 2.017 410 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 410 L C 2.658 179.506 176.870 -0.036 0.000 1.073 410 L CA 1.024 55.846 54.840 -0.031 0.000 0.745 410 L CB -0.648 41.398 42.059 -0.021 0.000 0.894 410 L HN 0.319 nan 8.230 nan 0.000 0.432 411 A N 0.189 122.965 122.820 -0.072 0.000 1.940 411 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 411 A C 1.918 179.472 177.584 -0.049 0.000 1.176 411 A CA 2.214 54.213 52.037 -0.064 0.000 0.631 411 A CB -0.823 18.118 19.000 -0.098 0.000 0.814 411 A HN 0.560 nan 8.150 nan 0.000 0.446 412 N N -0.644 118.023 118.700 -0.055 0.000 2.467 412 N HA -0.039 4.700 4.740 -0.001 0.000 0.184 412 N C -0.133 175.366 175.510 -0.019 0.000 1.106 412 N CA 0.298 53.319 53.050 -0.047 0.000 0.892 412 N CB 0.078 38.532 38.487 -0.054 0.000 0.969 412 N HN 0.330 nan 8.380 nan 0.000 0.454 413 D N 1.195 121.589 120.400 -0.009 0.000 2.713 413 D HA 0.077 4.716 4.640 -0.001 0.000 0.229 413 D C -0.694 175.620 176.300 0.025 0.000 1.136 413 D CA -0.153 53.850 54.000 0.006 0.000 1.010 413 D CB -0.270 40.534 40.800 0.007 0.000 1.084 413 D HN 0.148 nan 8.370 nan 0.000 0.495 414 S N 0.610 116.328 115.700 0.030 0.000 2.615 414 S HA 0.272 4.741 4.470 -0.001 0.000 0.269 414 S C 0.856 175.465 174.600 0.015 0.000 1.161 414 S CA -0.866 57.369 58.200 0.058 0.000 0.817 414 S CB 0.247 63.531 63.200 0.139 0.000 1.131 414 S HN 0.172 nan 8.310 nan 0.000 0.467 415 I N -1.382 119.155 120.570 -0.056 0.000 3.428 415 I HA 0.355 4.525 4.170 -0.001 0.000 0.286 415 I C -0.183 175.803 176.117 -0.219 0.000 1.287 415 I CA -0.026 61.163 61.300 -0.187 0.000 1.396 415 I CB -0.349 37.456 38.000 -0.325 0.000 1.062 415 I HN 0.481 nan 8.210 nan 0.000 0.471 416 Y N 1.590 121.897 120.300 0.012 0.000 2.496 416 Y HA 0.707 5.256 4.550 -0.001 0.000 0.325 416 Y C 1.124 177.013 175.900 -0.019 0.000 1.271 416 Y CA -0.572 57.532 58.100 0.007 0.000 1.368 416 Y CB 1.294 39.763 38.460 0.015 0.000 1.415 416 Y HN -0.058 nan 8.280 nan 0.000 0.527 417 G N 0.132 109.034 108.800 0.170 0.000 5.153 417 G HA2 0.151 4.110 3.960 -0.001 0.000 0.213 417 G HA3 0.151 4.110 3.960 -0.001 0.000 0.213 417 G C -0.347 174.500 174.900 -0.088 0.000 1.576 417 G CA -0.229 44.870 45.100 -0.002 0.000 0.640 417 G HN 0.486 nan 8.290 nan 0.000 0.237 418 L N 0.548 121.701 121.223 -0.118 0.000 2.116 418 L HA 0.855 5.194 4.340 -0.001 0.000 0.200 418 L C 1.078 177.656 176.870 -0.486 0.000 1.084 418 L CA 1.970 56.648 54.840 -0.270 0.000 0.766 418 L CB 0.102 42.064 42.059 -0.162 0.000 0.930 418 L HN 0.554 nan 8.230 nan 0.000 0.453 419 A N -2.387 120.203 122.820 -0.383 0.000 2.610 419 A HA 0.764 5.084 4.320 -0.001 0.000 0.291 419 A C -0.658 176.702 177.584 -0.373 0.000 1.086 419 A CA 0.007 51.702 52.037 -0.571 0.000 0.677 419 A CB 0.963 19.616 19.000 -0.579 0.000 1.278 419 A HN 0.466 nan 8.150 nan 0.000 0.414 420 G N -1.397 107.091 108.800 -0.520 0.000 2.506 420 G HA2 0.824 4.784 3.960 -0.001 0.000 0.292 420 G HA3 0.824 4.784 3.960 -0.001 0.000 0.292 420 G C -1.005 173.851 174.900 -0.073 0.000 1.425 420 G CA 0.359 45.372 45.100 -0.145 0.000 0.788 420 G HN 2.073 nan 8.290 nan 0.000 0.490 421 A N -0.861 122.094 122.820 0.225 0.000 2.454 421 A HA 0.878 5.197 4.320 -0.001 0.000 0.302 421 A C -1.139 176.562 177.584 0.194 0.000 1.079 421 A CA -0.683 51.517 52.037 0.272 0.000 0.731 421 A CB 2.124 21.480 19.000 0.594 0.000 1.299 421 A HN 1.544 nan 8.150 nan 0.000 0.413 422 V N 1.203 121.150 119.914 0.054 0.000 2.531 422 V HA 0.497 4.617 4.120 -0.001 0.000 0.301 422 V C -1.351 174.729 176.094 -0.022 0.000 1.034 422 V CA -0.209 62.162 62.300 0.118 0.000 0.865 422 V CB 1.107 32.991 31.823 0.102 0.000 0.995 422 V HN 0.708 nan 8.190 nan 0.000 0.424 423 F N 2.956 123.040 119.950 0.224 0.000 2.402 423 F HA 0.746 5.272 4.527 -0.001 0.000 0.355 423 F C 0.412 176.361 175.800 0.248 0.000 1.123 423 F CA -0.075 58.038 58.000 0.188 0.000 1.021 423 F CB 1.964 41.042 39.000 0.131 0.000 1.160 423 F HN 0.507 nan 8.300 nan 0.000 0.451 424 S N 2.607 118.461 115.700 0.257 0.000 2.556 424 S HA 0.258 4.727 4.470 -0.001 0.000 0.280 424 S C 0.040 174.693 174.600 0.088 0.000 1.141 424 S CA -0.856 57.446 58.200 0.169 0.000 0.883 424 S CB 1.231 64.428 63.200 -0.004 0.000 1.103 424 S HN 0.699 nan 8.310 nan 0.000 0.453 425 K N 1.092 121.544 120.400 0.087 0.000 2.432 425 K HA 0.026 4.345 4.320 -0.001 0.000 0.196 425 K C 0.039 176.647 176.600 0.013 0.000 1.038 425 K CA 0.425 56.746 56.287 0.057 0.000 0.986 425 K CB 0.031 32.572 32.500 0.069 0.000 0.782 425 K HN 0.486 nan 8.250 nan 0.000 0.485 426 D N 1.503 121.890 120.400 -0.022 0.000 2.453 426 D HA 0.003 4.642 4.640 -0.001 0.000 0.223 426 D C 0.983 177.237 176.300 -0.076 0.000 1.183 426 D CA -0.139 53.826 54.000 -0.059 0.000 0.933 426 D CB 0.379 41.117 40.800 -0.102 0.000 1.038 426 D HN -0.104 nan 8.370 nan 0.000 0.513 427 I N 2.859 123.401 120.570 -0.047 0.000 2.286 427 I HA -0.110 4.059 4.170 -0.001 0.000 0.248 427 I C 2.369 178.449 176.117 -0.062 0.000 1.115 427 I CA 0.775 62.046 61.300 -0.047 0.000 1.392 427 I CB -1.477 36.506 38.000 -0.027 0.000 1.065 427 I HN 0.431 nan 8.210 nan 0.000 0.418 428 G N 1.057 109.820 108.800 -0.061 0.000 2.446 428 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.217 428 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.217 428 G C 1.827 176.674 174.900 -0.088 0.000 1.168 428 G CA 1.029 46.092 45.100 -0.062 0.000 0.771 428 G HN 0.389 nan 8.290 nan 0.000 0.551 429 K N 0.536 120.857 120.400 -0.131 0.000 2.057 429 K HA 0.104 4.424 4.320 -0.001 0.000 0.206 429 K C 2.808 179.287 176.600 -0.203 0.000 1.050 429 K CA 1.193 57.360 56.287 -0.200 0.000 0.935 429 K CB -0.337 31.965 32.500 -0.332 0.000 0.715 429 K HN 0.190 nan 8.250 nan 0.000 0.439 430 A N 1.165 123.878 122.820 -0.177 0.000 1.908 430 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 430 A C 2.010 179.549 177.584 -0.075 0.000 1.181 430 A CA 1.697 53.669 52.037 -0.108 0.000 0.627 430 A CB -0.545 18.409 19.000 -0.076 0.000 0.818 430 A HN 0.509 nan 8.150 nan 0.000 0.445 431 Q N -0.971 118.786 119.800 -0.073 0.000 2.119 431 Q HA -0.102 4.237 4.340 -0.001 0.000 0.201 431 Q C 2.374 178.339 176.000 -0.058 0.000 0.972 431 Q CA 1.154 56.922 55.803 -0.059 0.000 0.847 431 Q CB -0.145 28.564 28.738 -0.049 0.000 0.903 431 Q HN 0.609 nan 8.270 nan 0.000 0.433 432 R N -0.069 120.394 120.500 -0.062 0.000 2.081 432 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 432 R C 2.292 178.564 176.300 -0.048 0.000 1.131 432 R CA 1.423 57.492 56.100 -0.052 0.000 0.960 432 R CB -0.374 29.894 30.300 -0.055 0.000 0.856 432 R HN 0.121 nan 8.270 nan 0.000 0.436 433 V N 0.929 120.816 119.914 -0.045 0.000 2.358 433 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 433 V C 2.467 178.529 176.094 -0.054 0.000 1.047 433 V CA 1.857 64.141 62.300 -0.026 0.000 1.035 433 V CB -0.710 31.134 31.823 0.036 0.000 0.658 433 V HN 0.392 nan 8.190 nan 0.000 0.452 434 A N 0.507 123.289 122.820 -0.063 0.000 1.940 434 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 434 A C 2.020 179.543 177.584 -0.101 0.000 1.176 434 A CA 2.086 54.067 52.037 -0.094 0.000 0.631 434 A CB -0.657 18.289 19.000 -0.090 0.000 0.814 434 A HN 0.596 nan 8.150 nan 0.000 0.446 435 N N -0.254 118.401 118.700 -0.075 0.000 2.309 435 N HA -0.063 4.676 4.740 -0.001 0.000 0.182 435 N C 1.256 176.726 175.510 -0.066 0.000 1.018 435 N CA 0.947 53.959 53.050 -0.064 0.000 0.876 435 N CB -0.080 38.380 38.487 -0.045 0.000 0.972 435 N HN 0.413 nan 8.380 nan 0.000 0.434 436 K N 0.340 120.697 120.400 -0.072 0.000 2.361 436 K HA 0.206 4.525 4.320 -0.001 0.000 0.194 436 K C 0.351 176.888 176.600 -0.105 0.000 1.032 436 K CA -0.075 56.171 56.287 -0.070 0.000 1.048 436 K CB 0.511 32.980 32.500 -0.052 0.000 0.842 436 K HN 0.172 nan 8.250 nan 0.000 0.526 437 L N 2.661 123.797 121.223 -0.146 0.000 2.360 437 L HA 0.105 4.444 4.340 -0.001 0.000 0.276 437 L C 0.493 177.161 176.870 -0.336 0.000 1.121 437 L CA -0.305 54.413 54.840 -0.204 0.000 0.845 437 L CB 0.417 42.352 42.059 -0.206 0.000 1.143 437 L HN -0.292 nan 8.230 nan 0.000 0.452 438 K N 6.514 126.696 120.400 -0.363 0.000 2.187 438 K HA 0.442 4.761 4.320 -0.001 0.000 0.242 438 K C -0.719 175.317 176.600 -0.939 0.000 1.179 438 K CA 0.171 56.063 56.287 -0.657 0.000 1.097 438 K CB -0.235 32.128 32.500 -0.228 0.000 1.634 438 K HN 0.482 nan 8.250 nan 0.000 0.335 439 L N -1.119 119.423 121.223 -1.135 0.000 2.422 439 L HA 0.368 4.707 4.340 -0.001 0.000 0.264 439 L C 1.462 177.928 176.870 -0.673 0.000 0.984 439 L CA -0.924 53.459 54.840 -0.761 0.000 0.819 439 L CB 2.109 43.869 42.059 -0.498 0.000 1.330 439 L HN 0.401 nan 8.230 nan 0.000 0.410 440 G N 0.608 109.193 108.800 -0.358 0.000 2.422 440 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.218 440 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.218 440 G C 0.434 175.102 174.900 -0.387 0.000 1.140 440 G CA 0.689 45.664 45.100 -0.210 0.000 0.775 440 G HN 0.497 nan 8.290 nan 0.000 0.545 441 T N -0.164 114.029 114.554 -0.602 0.000 2.928 441 T HA 0.525 4.875 4.350 -0.001 0.000 0.296 441 T C -1.123 173.075 174.700 -0.837 0.000 1.000 441 T CA -0.411 61.273 62.100 -0.694 0.000 0.989 441 T CB 2.706 71.083 68.868 -0.819 0.000 1.005 441 T HN -0.079 nan 8.240 nan 0.000 0.442 442 V N 3.596 123.103 119.914 -0.678 0.000 2.487 442 V HA 0.505 4.624 4.120 -0.001 0.000 0.298 442 V C -0.796 175.007 176.094 -0.485 0.000 1.028 442 V CA -1.033 60.923 62.300 -0.574 0.000 0.860 442 V CB 1.621 33.249 31.823 -0.325 0.000 0.991 442 V HN 0.780 nan 8.190 nan 0.000 0.427 443 W N 4.730 125.914 121.300 -0.195 0.000 2.469 443 W HA 0.622 5.281 4.660 -0.001 0.000 0.320 443 W C -0.435 175.949 176.519 -0.226 0.000 1.086 443 W CA -1.005 56.223 57.345 -0.195 0.000 1.211 443 W CB 1.459 30.776 29.460 -0.239 0.000 1.298 443 W HN 0.395 nan 8.180 nan 0.000 0.525 444 I N 4.734 125.307 120.570 0.005 0.000 2.312 444 I HA 0.068 4.238 4.170 -0.001 0.000 0.290 444 I C 0.163 176.148 176.117 -0.220 0.000 1.008 444 I CA -0.500 60.729 61.300 -0.119 0.000 1.226 444 I CB 0.538 38.497 38.000 -0.068 0.000 1.371 444 I HN 0.428 nan 8.210 nan 0.000 0.468 445 N N 3.834 122.204 118.700 -0.551 0.000 2.740 445 N HA -0.203 4.536 4.740 -0.001 0.000 0.248 445 N C -0.703 174.574 175.510 -0.388 0.000 1.062 445 N CA 1.005 53.652 53.050 -0.670 0.000 0.704 445 N CB -0.838 37.553 38.487 -0.160 0.000 0.968 445 N HN 0.695 nan 8.380 nan 0.000 0.547 446 D N -1.309 118.820 120.400 -0.452 0.000 2.639 446 D HA 0.620 5.259 4.640 -0.001 0.000 0.271 446 D C -1.477 174.797 176.300 -0.044 0.000 1.254 446 D CA -0.325 53.629 54.000 -0.077 0.000 0.810 446 D CB 1.273 42.016 40.800 -0.097 0.000 1.351 446 D HN -0.076 nan 8.370 nan 0.000 0.427 447 F N 1.395 121.143 119.950 -0.336 0.000 2.604 447 F HA 0.340 4.867 4.527 -0.001 0.000 0.316 447 F C 0.396 175.597 175.800 -1.000 0.000 1.136 447 F CA -0.209 57.344 58.000 -0.744 0.000 0.989 447 F CB 1.024 39.814 39.000 -0.351 0.000 1.258 447 F HN 0.540 nan 8.300 nan 0.000 0.451 448 H N 0.203 118.091 119.070 -1.970 0.000 4.189 448 H HA -0.100 4.456 4.556 -0.001 0.000 0.124 448 H C -2.296 172.670 175.328 -0.603 0.000 0.657 448 H CA 0.817 56.320 56.048 -0.909 0.000 1.208 448 H CB -2.133 27.521 29.762 -0.179 0.000 0.593 448 H HN 0.315 nan 8.280 nan 0.000 0.639 449 P HA 0.149 nan 4.420 nan 0.000 0.267 449 P C -0.477 176.908 177.300 0.142 0.000 1.209 449 P CA 0.697 63.715 63.100 -0.138 0.000 0.763 449 P CB -0.034 31.673 31.700 0.012 0.000 0.816 450 Y N 2.482 122.788 120.300 0.010 0.000 2.553 450 Y HA 0.833 5.382 4.550 -0.001 0.000 0.347 450 Y C -0.870 174.904 175.900 -0.210 0.000 1.019 450 Y CA -1.990 55.960 58.100 -0.251 0.000 1.032 450 Y CB 1.107 39.307 38.460 -0.433 0.000 1.284 450 Y HN 0.325 nan 8.280 nan 0.000 0.466 451 F N -1.711 118.300 119.950 0.102 0.000 2.693 451 F HA 0.779 5.305 4.527 -0.001 0.000 0.309 451 F C 0.500 176.151 175.800 -0.248 0.000 1.129 451 F CA -1.381 56.595 58.000 -0.039 0.000 0.948 451 F CB 1.017 39.984 39.000 -0.056 0.000 1.315 451 F HN 0.669 nan 8.300 nan 0.000 0.447 452 A N 0.081 122.843 122.820 -0.097 0.000 2.024 452 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 452 A C 1.633 178.614 177.584 -1.005 0.000 1.164 452 A CA 1.981 53.680 52.037 -0.565 0.000 0.643 452 A CB -0.794 17.878 19.000 -0.545 0.000 0.806 452 A HN 0.833 nan 8.150 nan 0.000 0.451 453 Q N -0.643 118.843 119.800 -0.524 0.000 2.369 453 Q HA 0.335 4.674 4.340 -0.001 0.000 0.206 453 Q C 0.621 176.557 176.000 -0.106 0.000 0.963 453 Q CA 1.023 56.580 55.803 -0.410 0.000 0.894 453 Q CB -0.183 28.527 28.738 -0.048 0.000 0.965 453 Q HN 0.633 nan 8.270 nan 0.000 0.475 454 A N 1.146 123.936 122.820 -0.050 0.000 2.371 454 A HA 0.618 4.937 4.320 -0.001 0.000 0.311 454 A C -2.616 174.891 177.584 -0.128 0.000 1.068 454 A CA -1.933 50.064 52.037 -0.065 0.000 0.744 454 A CB 0.968 19.918 19.000 -0.083 0.000 1.239 454 A HN -0.098 nan 8.150 nan 0.000 0.435 455 P HA 0.125 nan 4.420 nan 0.000 0.271 455 P C -0.864 176.441 177.300 0.009 0.000 1.218 455 P CA 0.011 63.092 63.100 -0.031 0.000 0.780 455 P CB 0.708 32.401 31.700 -0.011 0.000 0.901 456 W N 2.949 124.136 121.300 -0.188 0.000 2.839 456 W HA 0.563 5.223 4.660 -0.001 0.000 0.334 456 W C -0.979 175.503 176.519 -0.063 0.000 1.064 456 W CA 0.034 57.285 57.345 -0.155 0.000 1.236 456 W CB 2.519 31.832 29.460 -0.245 0.000 1.405 456 W HN 0.767 nan 8.180 nan 0.000 0.478 457 G N 1.684 110.161 108.800 -0.538 0.000 2.313 457 G HA2 0.419 4.379 3.960 -0.001 0.000 0.296 457 G HA3 0.419 4.379 3.960 -0.001 0.000 0.296 457 G C -1.557 173.169 174.900 -0.290 0.000 1.356 457 G CA -0.241 44.686 45.100 -0.288 0.000 0.833 457 G HN 0.736 nan 8.290 nan 0.000 0.552 458 G N -1.373 107.357 108.800 -0.117 0.000 2.453 458 G HA2 0.652 4.611 3.960 -0.001 0.000 0.323 458 G HA3 0.652 4.611 3.960 -0.001 0.000 0.323 458 G C -0.903 174.045 174.900 0.080 0.000 1.198 458 G CA -0.675 44.407 45.100 -0.029 0.000 0.959 458 G HN 0.548 nan 8.290 nan 0.000 0.482 459 Y N 0.769 121.005 120.300 -0.108 0.000 2.298 459 Y HA 0.334 4.883 4.550 -0.001 0.000 0.329 459 Y C 1.372 177.245 175.900 -0.044 0.000 1.293 459 Y CA -0.053 58.001 58.100 -0.076 0.000 1.388 459 Y CB 1.037 39.447 38.460 -0.082 0.000 1.309 459 Y HN 0.774 nan 8.280 nan 0.000 0.544 460 K N -0.565 119.900 120.400 0.108 0.000 1.882 460 K HA -0.363 3.956 4.320 -0.001 0.000 0.199 460 K C 0.652 177.264 176.600 0.020 0.000 1.562 460 K CA 1.741 58.057 56.287 0.048 0.000 0.515 460 K CB -0.760 31.772 32.500 0.054 0.000 0.682 460 K HN 0.735 nan 8.250 nan 0.000 0.843 461 Q N 0.472 120.260 119.800 -0.020 0.000 2.444 461 Q HA 0.085 4.424 4.340 -0.001 0.000 0.206 461 Q C 1.137 177.184 176.000 0.078 0.000 0.948 461 Q CA 0.516 56.293 55.803 -0.043 0.000 0.946 461 Q CB 0.283 28.899 28.738 -0.204 0.000 1.027 461 Q HN 0.342 nan 8.270 nan 0.000 0.513 462 S N 0.009 115.809 115.700 0.167 0.000 2.561 462 S HA 0.127 4.596 4.470 -0.001 0.000 0.225 462 S C 0.654 175.328 174.600 0.123 0.000 0.977 462 S CA 0.554 58.888 58.200 0.223 0.000 0.926 462 S CB 0.373 63.680 63.200 0.178 0.000 0.769 462 S HN 0.592 nan 8.310 nan 0.000 0.533 463 G N 0.169 109.018 108.800 0.082 0.000 2.343 463 G HA2 0.367 4.326 3.960 -0.001 0.000 0.289 463 G HA3 0.367 4.326 3.960 -0.001 0.000 0.289 463 G C -2.066 172.851 174.900 0.028 0.000 1.295 463 G CA -1.005 44.134 45.100 0.065 0.000 0.869 463 G HN 0.142 nan 8.290 nan 0.000 0.522 464 I N 1.037 121.623 120.570 0.026 0.000 2.534 464 I HA 0.617 4.786 4.170 -0.001 0.000 0.288 464 I C 0.660 176.776 176.117 -0.003 0.000 1.077 464 I CA 0.353 61.651 61.300 -0.003 0.000 1.051 464 I CB 1.628 39.627 38.000 -0.003 0.000 1.234 464 I HN 1.941 nan 8.210 nan 0.000 0.425 465 G N 5.327 114.111 108.800 -0.027 0.000 2.698 465 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.225 465 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.225 465 G C -1.058 173.840 174.900 -0.004 0.000 1.345 465 G CA -0.874 44.213 45.100 -0.021 0.000 0.871 465 G HN 0.547 nan 8.290 nan 0.000 0.540 466 R N 0.182 120.691 120.500 0.016 0.000 2.795 466 R HA 0.634 4.973 4.340 -0.001 0.000 0.275 466 R C -0.354 176.002 176.300 0.092 0.000 0.981 466 R CA -0.712 55.414 56.100 0.043 0.000 0.917 466 R CB 1.793 32.105 30.300 0.020 0.000 1.202 466 R HN 0.765 nan 8.270 nan 0.000 0.469 467 E N 1.659 121.932 120.200 0.123 0.000 2.263 467 E HA 0.581 4.930 4.350 -0.001 0.000 0.264 467 E C -0.367 176.219 176.600 -0.024 0.000 0.923 467 E CA -0.915 55.553 56.400 0.113 0.000 0.802 467 E CB 1.980 31.815 29.700 0.224 0.000 1.228 467 E HN 0.338 nan 8.360 nan 0.000 0.417 468 L N 0.035 121.247 121.223 -0.018 0.000 0.584 468 L HA -0.262 4.077 4.340 -0.001 0.000 0.356 468 L C 0.549 177.433 176.870 0.023 0.000 0.992 468 L CA 0.801 55.597 54.840 -0.074 0.000 1.223 468 L CB -1.277 40.486 42.059 -0.493 0.000 0.009 468 L HN 1.025 nan 8.230 nan 0.000 0.091 469 G N 0.794 109.518 108.800 -0.127 0.000 2.796 469 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.226 469 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.226 469 G C 0.273 175.318 174.900 0.241 0.000 1.381 469 G CA 0.414 45.503 45.100 -0.019 0.000 0.867 469 G HN 0.878 nan 8.290 nan 0.000 0.552 470 K N -0.032 120.497 120.400 0.214 0.000 2.097 470 K HA -0.059 4.261 4.320 -0.001 0.000 0.205 470 K C 2.375 179.081 176.600 0.177 0.000 1.050 470 K CA 1.682 58.091 56.287 0.204 0.000 0.938 470 K CB -0.090 32.489 32.500 0.131 0.000 0.718 470 K HN 0.607 nan 8.250 nan 0.000 0.442 471 E N -0.013 120.263 120.200 0.127 0.000 2.110 471 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 471 E C 2.086 178.764 176.600 0.129 0.000 0.988 471 E CA 0.956 57.413 56.400 0.096 0.000 0.804 471 E CB -0.067 29.663 29.700 0.049 0.000 0.745 471 E HN 0.447 nan 8.360 nan 0.000 0.458 472 G N 1.140 110.052 108.800 0.186 0.000 2.408 472 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 472 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 472 G C 1.537 176.606 174.900 0.281 0.000 1.150 472 G CA 0.446 45.681 45.100 0.225 0.000 0.776 472 G HN 0.194 nan 8.290 nan 0.000 0.542 473 L N 0.433 121.871 121.223 0.359 0.000 2.083 473 L HA 0.027 4.366 4.340 -0.001 0.000 0.209 473 L C 2.634 179.651 176.870 0.246 0.000 1.083 473 L CA 1.862 56.891 54.840 0.314 0.000 0.752 473 L CB -0.300 41.980 42.059 0.369 0.000 0.899 473 L HN 0.308 nan 8.230 nan 0.000 0.433 474 E N -0.660 119.645 120.200 0.175 0.000 2.265 474 E HA -0.197 4.152 4.350 -0.001 0.000 0.196 474 E C 1.875 178.505 176.600 0.049 0.000 0.996 474 E CA 0.812 57.274 56.400 0.103 0.000 0.832 474 E CB -0.040 29.703 29.700 0.071 0.000 0.756 474 E HN 0.527 nan 8.360 nan 0.000 0.491 475 E N -0.019 120.193 120.200 0.021 0.000 2.209 475 E HA -0.180 4.170 4.350 -0.001 0.000 0.196 475 E C 0.935 177.340 176.600 -0.326 0.000 0.993 475 E CA 1.082 57.379 56.400 -0.171 0.000 0.819 475 E CB -0.099 29.438 29.700 -0.272 0.000 0.745 475 E HN 0.494 nan 8.360 nan 0.000 0.477 476 Y N -0.174 120.133 120.300 0.012 0.000 2.493 476 Y HA 0.253 4.803 4.550 -0.001 0.000 0.275 476 Y C 0.762 176.680 175.900 0.031 0.000 1.183 476 Y CA -0.029 58.078 58.100 0.012 0.000 1.258 476 Y CB 0.403 38.862 38.460 -0.002 0.000 1.108 476 Y HN -0.152 nan 8.280 nan 0.000 0.521 477 L N -0.401 120.880 121.223 0.098 0.000 2.323 477 L HA 0.717 5.057 4.340 -0.001 0.000 0.265 477 L C -1.026 175.870 176.870 0.044 0.000 1.012 477 L CA -1.250 53.641 54.840 0.085 0.000 0.820 477 L CB 2.582 44.692 42.059 0.086 0.000 1.334 477 L HN -0.315 nan 8.230 nan 0.000 0.427 478 V N 0.589 120.533 119.914 0.051 0.000 2.789 478 V HA 0.525 4.644 4.120 -0.001 0.000 0.311 478 V C -0.468 175.652 176.094 0.042 0.000 1.073 478 V CA -0.194 62.127 62.300 0.035 0.000 0.921 478 V CB 2.459 34.302 31.823 0.033 0.000 1.009 478 V HN 0.803 nan 8.190 nan 0.000 0.426 479 S N 5.775 121.494 115.700 0.033 0.000 2.525 479 S HA 0.510 4.979 4.470 -0.001 0.000 0.278 479 S C -0.543 174.087 174.600 0.049 0.000 1.234 479 S CA -0.431 57.792 58.200 0.038 0.000 1.058 479 S CB 0.950 64.166 63.200 0.026 0.000 0.983 479 S HN 0.725 nan 8.310 nan 0.000 0.495 480 K N 2.248 122.685 120.400 0.061 0.000 2.463 480 K HA 0.206 4.525 4.320 -0.001 0.000 0.255 480 K C -1.165 175.506 176.600 0.119 0.000 0.942 480 K CA -0.499 55.833 56.287 0.074 0.000 0.814 480 K CB 0.888 33.422 32.500 0.056 0.000 1.122 480 K HN 0.882 nan 8.250 nan 0.000 0.425 481 H N 6.443 125.516 119.070 0.006 0.000 2.782 481 H HA 0.252 4.807 4.556 -0.001 0.000 0.285 481 H C -0.763 174.567 175.328 0.003 0.000 1.093 481 H CA -0.568 55.482 56.048 0.003 0.000 1.410 481 H CB 0.502 30.265 29.762 0.000 0.000 1.439 481 H HN 0.490 nan 8.280 nan 0.000 0.469 482 I N 7.081 127.661 120.570 0.017 0.000 2.330 482 I HA 0.079 4.249 4.170 -0.001 0.000 0.289 482 I C -0.826 175.195 176.117 -0.160 0.000 1.001 482 I CA -0.717 60.522 61.300 -0.103 0.000 1.193 482 I CB 1.477 39.466 38.000 -0.019 0.000 1.345 482 I HN 0.410 nan 8.210 nan 0.000 0.461 483 L N 6.902 127.947 121.223 -0.295 0.000 2.319 483 L HA 0.509 4.848 4.340 -0.001 0.000 0.281 483 L C -0.362 176.447 176.870 -0.101 0.000 1.005 483 L CA 0.237 54.950 54.840 -0.212 0.000 0.828 483 L CB 1.669 43.518 42.059 -0.351 0.000 1.227 483 L HN 0.447 nan 8.230 nan 0.000 0.415 484 T N 3.829 118.358 114.554 -0.042 0.000 2.758 484 T HA 0.302 4.651 4.350 -0.001 0.000 0.285 484 T C -0.223 174.469 174.700 -0.013 0.000 0.981 484 T CA -0.388 61.696 62.100 -0.026 0.000 0.965 484 T CB 0.564 69.425 68.868 -0.013 0.000 0.927 484 T HN 0.498 nan 8.240 nan 0.000 0.448 485 N N 2.502 121.193 118.700 -0.014 0.000 2.415 485 N HA 0.061 4.800 4.740 -0.001 0.000 0.246 485 N C 1.240 176.749 175.510 -0.002 0.000 1.078 485 N CA -0.221 52.826 53.050 -0.005 0.000 0.942 485 N CB 1.097 39.581 38.487 -0.005 0.000 1.140 485 N HN 0.709 nan 8.380 nan 0.000 0.501 486 T N -0.108 114.447 114.554 0.002 0.000 3.129 486 T HA 0.066 4.415 4.350 -0.001 0.000 0.251 486 T C 0.544 175.246 174.700 0.004 0.000 1.117 486 T CA 0.064 62.165 62.100 0.003 0.000 1.034 486 T CB -0.072 68.799 68.868 0.004 0.000 0.968 486 T HN 0.397 nan 8.240 nan 0.000 0.526 487 N N 2.110 120.813 118.700 0.005 0.000 2.711 487 N HA 0.321 5.060 4.740 -0.001 0.000 0.263 487 N C -3.248 172.266 175.510 0.007 0.000 1.667 487 N CA -1.803 51.251 53.050 0.006 0.000 0.785 487 N CB 1.101 39.593 38.487 0.007 0.000 1.231 487 N HN 0.114 nan 8.380 nan 0.000 0.503 488 P HA 0.188 nan 4.420 nan 0.000 0.271 488 P C -0.833 176.474 177.300 0.012 0.000 1.220 488 P CA 0.108 63.214 63.100 0.009 0.000 0.768 488 P CB 0.913 32.617 31.700 0.007 0.000 0.848 489 Q N 1.645 121.455 119.800 0.016 0.000 2.394 489 Q HA 0.409 4.748 4.340 -0.001 0.000 0.273 489 Q C -0.308 175.709 176.000 0.028 0.000 1.089 489 Q CA -1.218 54.597 55.803 0.020 0.000 0.812 489 Q CB 1.724 30.474 28.738 0.019 0.000 1.353 489 Q HN 0.297 nan 8.270 nan 0.000 0.438 490 L N 1.062 122.304 121.223 0.032 0.000 2.485 490 L HA -0.015 4.324 4.340 -0.001 0.000 0.275 490 L C 1.480 178.383 176.870 0.054 0.000 1.207 490 L CA 0.544 55.411 54.840 0.046 0.000 0.855 490 L CB 0.218 42.306 42.059 0.048 0.000 1.114 490 L HN 0.542 nan 8.230 nan 0.000 0.485 491 V N 1.186 121.143 119.914 0.072 0.000 2.535 491 V HA -0.080 4.039 4.120 -0.001 0.000 0.246 491 V C 0.809 176.967 176.094 0.106 0.000 1.045 491 V CA 0.667 63.020 62.300 0.088 0.000 1.058 491 V CB -0.646 31.234 31.823 0.094 0.000 0.689 491 V HN 1.005 nan 8.190 nan 0.000 0.461 492 N N -0.916 117.853 118.700 0.115 0.000 2.740 492 N HA -0.235 4.504 4.740 -0.001 0.000 0.248 492 N C 0.501 176.060 175.510 0.082 0.000 1.062 492 N CA 1.003 54.111 53.050 0.097 0.000 0.704 492 N CB -1.407 37.109 38.487 0.048 0.000 0.968 492 N HN 0.799 nan 8.380 nan 0.000 0.547 493 W N 0.049 121.274 121.300 -0.124 0.000 2.443 493 W HA 0.060 4.720 4.660 -0.001 0.000 0.296 493 W C -0.060 176.219 176.519 -0.400 0.000 1.202 493 W CA 0.748 57.898 57.345 -0.324 0.000 1.312 493 W CB 0.004 29.147 29.460 -0.529 0.000 1.120 493 W HN 0.053 nan 8.180 nan 0.000 0.536 494 F N 2.026 122.125 119.950 0.250 0.000 2.394 494 F HA 0.221 4.747 4.527 -0.001 0.000 0.340 494 F C 1.085 176.912 175.800 0.046 0.000 1.105 494 F CA -0.484 57.600 58.000 0.140 0.000 1.124 494 F CB 0.876 39.984 39.000 0.180 0.000 1.145 494 F HN -0.412 nan 8.300 nan 0.000 0.505 495 S N 2.788 118.596 115.700 0.181 0.000 2.558 495 S HA 0.059 4.528 4.470 -0.001 0.000 0.287 495 S C 0.378 175.034 174.600 0.093 0.000 1.321 495 S CA -0.484 57.767 58.200 0.086 0.000 1.048 495 S CB 0.349 63.582 63.200 0.056 0.000 0.844 495 S HN 0.467 nan 8.310 nan 0.000 0.512 496 K N 0.000 120.434 120.400 0.056 0.000 2.780 496 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 496 K CA 0.000 56.315 56.287 0.046 0.000 0.838 496 K CB 0.000 32.519 32.500 0.031 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543