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 2pgo_1_B DATA FIRST_RESID 2 DATA SEQUENCE AIKRGADLIV EALEEYGTEQ VVGFIGHTSH FVADAFSKSH LGKRVINPAT DATA SEQUENCE ELGGAWMVNG YNYVKDRSAA VGAWHCVGNL LLHAAMQEAR TGRIPAVHIG DATA SEQUENCE LNSDGRLAGR SEAAQQVPWQ SFTPIARSTQ RVERLDKVGE AIHEAFRVAE DATA SEQUENCE GHPAGPAYVD IPFDLTADQI DDKALVPRGA TRAKSVLHAP NEDVREAAAQ DATA SEQUENCE LVAAKNPVIL AGGGVARSGG SEALLKLAEM VGVPVVTTST GAGVFPETHA DATA SEQUENCE LAMGSAGFCG WKSANDMMAA ADFVLVLGSR LSDWGIAQGY ITKMPKFVHV DATA SEQUENCE DTDPAVLGTF YFPLLSVVAD AKTFMEQLIE VLPGTSGFKA VRYQERENFR DATA SEQUENCE QATEFRAAWD GWVREQESGD GMPASMFRAM AEVRKVQRPE DIIVTDIGNH DATA SEQUENCE TLPMFGGAIL QRPRRLVTSM AEGILGCGFP MALGAQLAEP NSRVFLGTGD DATA SEQUENCE GALYYHFNEF RVAVEHKLPV ITMVFTNESY GANWTLMNHQ FGQNNWTEFM DATA SEQUENCE NPDWVGIAKA FGAYGESVRE TGDIAGALQR AIDSGKPALI EIPVSKTQGL DATA SEQUENCE ASDPVGGVGP NLLLKGREIP VDTGGSMYPG ENLLHLK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.569 177.584 -0.025 0.000 1.274 2 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 3 I N 2.278 122.835 120.570 -0.023 0.000 2.533 3 I HA 0.327 4.497 4.170 -0.001 0.000 0.284 3 I C 0.221 176.323 176.117 -0.026 0.000 1.109 3 I CA 0.382 61.667 61.300 -0.025 0.000 1.412 3 I CB 0.221 38.209 38.000 -0.021 0.000 1.396 3 I HN 0.449 nan 8.210 nan 0.000 0.543 4 K N 6.441 126.821 120.400 -0.032 0.000 2.469 4 K HA 0.483 4.802 4.320 -0.001 0.000 0.254 4 K C -0.325 176.250 176.600 -0.041 0.000 0.939 4 K CA -0.959 55.308 56.287 -0.035 0.000 0.812 4 K CB 2.541 35.016 32.500 -0.041 0.000 1.301 4 K HN 0.456 nan 8.250 nan 0.000 0.433 5 R N -0.195 120.283 120.500 -0.038 0.000 2.641 5 R HA 0.118 4.457 4.340 -0.001 0.000 0.269 5 R C 1.612 177.875 176.300 -0.061 0.000 1.074 5 R CA 0.301 56.369 56.100 -0.053 0.000 1.133 5 R CB 0.230 30.512 30.300 -0.029 0.000 1.029 5 R HN 0.886 nan 8.270 nan 0.000 0.488 6 G N 1.214 109.965 108.800 -0.081 0.000 2.469 6 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.220 6 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.220 6 G C 1.381 176.249 174.900 -0.054 0.000 1.136 6 G CA 0.976 46.034 45.100 -0.070 0.000 0.759 6 G HN 0.685 nan 8.290 nan 0.000 0.562 7 A N 1.152 123.953 122.820 -0.032 0.000 1.902 7 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 7 A C 2.096 179.629 177.584 -0.084 0.000 1.181 7 A CA 2.070 54.100 52.037 -0.012 0.000 0.623 7 A CB -0.390 18.671 19.000 0.101 0.000 0.818 7 A HN 0.323 nan 8.150 nan 0.000 0.443 8 D N 0.097 120.458 120.400 -0.066 0.000 2.144 8 D HA -0.106 4.534 4.640 -0.001 0.000 0.199 8 D C 1.949 178.182 176.300 -0.112 0.000 0.984 8 D CA 1.119 55.063 54.000 -0.093 0.000 0.834 8 D CB -0.316 40.450 40.800 -0.057 0.000 0.955 8 D HN 0.476 nan 8.370 nan 0.000 0.465 9 L N 0.531 121.701 121.223 -0.087 0.000 2.093 9 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 9 L C 2.566 179.382 176.870 -0.089 0.000 1.085 9 L CA 0.528 55.319 54.840 -0.081 0.000 0.755 9 L CB -0.279 41.745 42.059 -0.059 0.000 0.904 9 L HN -0.025 nan 8.230 nan 0.000 0.435 10 I N -0.831 119.683 120.570 -0.095 0.000 2.163 10 I HA -0.280 3.890 4.170 -0.001 0.000 0.243 10 I C 2.430 178.453 176.117 -0.156 0.000 1.085 10 I CA 1.193 62.437 61.300 -0.092 0.000 1.347 10 I CB -0.279 37.670 38.000 -0.084 0.000 1.044 10 I HN 0.001 nan 8.210 nan 0.000 0.408 11 V N 0.536 120.280 119.914 -0.284 0.000 2.343 11 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 11 V C 2.339 178.310 176.094 -0.205 0.000 1.051 11 V CA 1.828 63.895 62.300 -0.388 0.000 1.036 11 V CB -0.683 30.786 31.823 -0.590 0.000 0.654 11 V HN 0.432 nan 8.190 nan 0.000 0.451 12 E N 0.357 120.454 120.200 -0.173 0.000 2.085 12 E HA -0.231 4.119 4.350 -0.001 0.000 0.194 12 E C 2.340 178.810 176.600 -0.217 0.000 0.994 12 E CA 1.402 57.705 56.400 -0.162 0.000 0.801 12 E CB -0.327 29.292 29.700 -0.135 0.000 0.743 12 E HN 0.612 nan 8.360 nan 0.000 0.453 13 A N 1.216 123.923 122.820 -0.188 0.000 1.902 13 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 13 A C 2.211 179.598 177.584 -0.328 0.000 1.181 13 A CA 0.990 52.871 52.037 -0.259 0.000 0.623 13 A CB -0.631 18.370 19.000 0.002 0.000 0.818 13 A HN 0.121 nan 8.150 nan 0.000 0.443 14 L N -0.631 120.531 121.223 -0.102 0.000 2.042 14 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 14 L C 2.630 179.411 176.870 -0.149 0.000 1.076 14 L CA 1.775 56.609 54.840 -0.010 0.000 0.749 14 L CB -0.692 41.452 42.059 0.141 0.000 0.893 14 L HN 0.484 nan 8.230 nan 0.000 0.432 15 E N -0.148 119.961 120.200 -0.151 0.000 2.077 15 E HA -0.282 4.068 4.350 -0.001 0.000 0.193 15 E C 2.050 178.479 176.600 -0.285 0.000 0.989 15 E CA 1.310 57.618 56.400 -0.153 0.000 0.800 15 E CB -0.028 29.604 29.700 -0.112 0.000 0.746 15 E HN 0.349 nan 8.360 nan 0.000 0.452 16 E N 0.372 120.292 120.200 -0.467 0.000 2.118 16 E HA -0.185 4.164 4.350 -0.001 0.000 0.195 16 E C 0.799 177.021 176.600 -0.631 0.000 0.992 16 E CA 1.211 57.247 56.400 -0.606 0.000 0.804 16 E CB -0.094 29.089 29.700 -0.863 0.000 0.741 16 E HN 0.319 nan 8.360 nan 0.000 0.458 17 Y N -1.155 118.921 120.300 -0.375 0.000 2.532 17 Y HA 0.429 4.979 4.550 -0.001 0.000 0.283 17 Y C 1.354 176.941 175.900 -0.521 0.000 1.181 17 Y CA 0.013 57.758 58.100 -0.591 0.000 1.256 17 Y CB 0.540 38.287 38.460 -1.188 0.000 1.112 17 Y HN 0.160 nan 8.280 nan 0.000 0.521 18 G N -0.422 108.242 108.800 -0.226 0.000 2.144 18 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.218 18 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.218 18 G C 0.219 175.120 174.900 0.002 0.000 0.988 18 G CA -0.013 45.041 45.100 -0.076 0.000 0.659 18 G HN 0.247 nan 8.290 nan 0.000 0.522 19 T N 0.629 115.182 114.554 -0.001 0.000 2.934 19 T HA 0.347 4.697 4.350 -0.001 0.000 0.306 19 T C 1.285 176.018 174.700 0.055 0.000 1.042 19 T CA 1.128 63.279 62.100 0.085 0.000 1.145 19 T CB 1.231 70.176 68.868 0.128 0.000 0.982 19 T HN 0.482 nan 8.240 nan 0.000 0.544 20 E N 1.088 121.301 120.200 0.022 0.000 2.332 20 E HA 0.071 4.421 4.350 -0.001 0.000 0.202 20 E C 0.522 177.067 176.600 -0.090 0.000 0.877 20 E CA -0.016 56.394 56.400 0.016 0.000 0.979 20 E CB 0.489 30.238 29.700 0.082 0.000 0.969 20 E HN 0.398 nan 8.360 nan 0.000 0.495 21 Q N 1.329 120.983 119.800 -0.243 0.000 2.309 21 Q HA 0.298 4.637 4.340 -0.001 0.000 0.270 21 Q C -1.642 174.147 176.000 -0.352 0.000 1.023 21 Q CA -0.475 55.106 55.803 -0.369 0.000 0.758 21 Q CB 1.835 30.102 28.738 -0.785 0.000 1.247 21 Q HN -0.114 nan 8.270 nan 0.000 0.455 22 V N 4.211 123.919 119.914 -0.344 0.000 2.472 22 V HA 0.602 4.722 4.120 -0.001 0.000 0.290 22 V C -0.506 175.352 176.094 -0.395 0.000 1.037 22 V CA -0.725 61.328 62.300 -0.412 0.000 0.908 22 V CB 1.828 33.269 31.823 -0.637 0.000 0.985 22 V HN 0.639 nan 8.190 nan 0.000 0.454 23 V N 3.690 123.370 119.914 -0.390 0.000 2.378 23 V HA 0.835 4.954 4.120 -0.001 0.000 0.288 23 V C 0.466 176.214 176.094 -0.577 0.000 1.016 23 V CA -0.192 61.918 62.300 -0.316 0.000 0.840 23 V CB 1.333 33.100 31.823 -0.094 0.000 0.994 23 V HN 1.009 nan 8.190 nan 0.000 0.431 24 G N 2.942 111.495 108.800 -0.412 0.000 2.563 24 G HA2 0.750 4.710 3.960 -0.001 0.000 0.302 24 G HA3 0.750 4.710 3.960 -0.001 0.000 0.302 24 G C -1.907 172.976 174.900 -0.028 0.000 1.301 24 G CA -0.565 44.294 45.100 -0.402 0.000 0.965 24 G HN 0.456 nan 8.290 nan 0.000 0.480 25 F N 1.325 121.311 119.950 0.059 0.000 2.539 25 F HA 0.560 5.086 4.527 -0.001 0.000 0.318 25 F C -0.228 175.665 175.800 0.156 0.000 1.135 25 F CA -0.971 57.161 58.000 0.220 0.000 0.915 25 F CB 1.904 41.173 39.000 0.449 0.000 1.176 25 F HN 0.387 nan 8.300 nan 0.000 0.440 26 I N 3.986 124.733 120.570 0.295 0.000 2.720 26 I HA 0.695 4.865 4.170 -0.001 0.000 0.287 26 I C 0.184 176.391 176.117 0.149 0.000 1.090 26 I CA 0.270 61.700 61.300 0.216 0.000 1.384 26 I CB 0.982 39.042 38.000 0.100 0.000 1.420 26 I HN 0.642 nan 8.210 nan 0.000 0.575 27 G N 4.902 113.665 108.800 -0.061 0.000 2.368 27 G HA2 0.141 4.100 3.960 -0.001 0.000 0.293 27 G HA3 0.141 4.100 3.960 -0.001 0.000 0.293 27 G C 0.256 174.811 174.900 -0.575 0.000 1.467 27 G CA -0.038 44.676 45.100 -0.643 0.000 0.804 27 G HN 0.784 nan 8.290 nan 0.000 0.535 28 H N -1.268 117.420 119.070 -0.637 0.000 2.422 28 H HA -0.159 4.397 4.556 -0.001 0.000 0.298 28 H C 2.121 177.147 175.328 -0.503 0.000 1.098 28 H CA 2.254 57.751 56.048 -0.919 0.000 1.315 28 H CB -0.818 28.660 29.762 -0.474 0.000 1.382 28 H HN 0.608 nan 8.280 nan 0.000 0.523 29 T N -0.359 113.792 114.554 -0.672 0.000 2.995 29 T HA -0.064 4.286 4.350 -0.001 0.000 0.269 29 T C 1.958 176.672 174.700 0.023 0.000 1.091 29 T CA 0.983 62.694 62.100 -0.648 0.000 1.128 29 T CB -0.448 68.007 68.868 -0.688 0.000 0.891 29 T HN 0.500 nan 8.240 nan 0.000 0.492 30 S N -0.443 115.325 115.700 0.114 0.000 2.557 30 S HA 0.215 4.685 4.470 -0.001 0.000 0.223 30 S C 1.352 176.118 174.600 0.275 0.000 0.969 30 S CA -0.551 57.785 58.200 0.226 0.000 0.927 30 S CB -0.820 62.519 63.200 0.231 0.000 0.806 30 S HN 0.687 nan 8.310 nan 0.000 0.489 31 H N 0.562 119.689 119.070 0.094 0.000 2.319 31 H HA -0.066 4.490 4.556 -0.001 0.000 0.299 31 H C 1.225 176.510 175.328 -0.073 0.000 1.092 31 H CA 1.927 57.944 56.048 -0.052 0.000 1.302 31 H CB -0.170 29.458 29.762 -0.225 0.000 1.373 31 H HN 0.495 nan 8.280 nan 0.000 0.497 32 F N -0.050 120.074 119.950 0.291 0.000 2.134 32 F HA -0.194 4.332 4.527 -0.000 0.000 0.299 32 F C 2.572 178.442 175.800 0.116 0.000 1.097 32 F CA 0.592 58.699 58.000 0.178 0.000 1.264 32 F CB -0.696 38.400 39.000 0.160 0.000 1.001 32 F HN -0.070 nan 8.300 nan 0.000 0.479 33 V N 0.207 120.304 119.914 0.305 0.000 2.295 33 V HA -0.326 3.794 4.120 -0.001 0.000 0.246 33 V C 2.601 178.830 176.094 0.225 0.000 1.049 33 V CA 1.870 64.275 62.300 0.175 0.000 1.024 33 V CB -1.315 30.624 31.823 0.194 0.000 0.648 33 V HN 0.382 nan 8.190 nan 0.000 0.447 34 A N -0.037 122.935 122.820 0.253 0.000 1.902 34 A HA -0.307 4.012 4.320 -0.001 0.000 0.217 34 A C 2.035 179.716 177.584 0.162 0.000 1.181 34 A CA 2.221 54.399 52.037 0.234 0.000 0.623 34 A CB -0.721 18.359 19.000 0.133 0.000 0.818 34 A HN 0.629 nan 8.150 nan 0.000 0.443 35 D N -0.326 120.131 120.400 0.095 0.000 2.117 35 D HA -0.048 4.592 4.640 -0.001 0.000 0.197 35 D C 2.031 178.371 176.300 0.066 0.000 0.987 35 D CA 1.665 55.698 54.000 0.055 0.000 0.829 35 D CB -0.188 40.628 40.800 0.026 0.000 0.961 35 D HN 0.342 nan 8.370 nan 0.000 0.460 36 A N -0.570 122.282 122.820 0.053 0.000 1.902 36 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 36 A C 2.178 179.737 177.584 -0.041 0.000 1.181 36 A CA 1.094 53.113 52.037 -0.030 0.000 0.623 36 A CB -1.241 17.692 19.000 -0.112 0.000 0.818 36 A HN 0.398 nan 8.150 nan 0.000 0.443 37 F N 1.077 121.033 119.950 0.011 0.000 2.216 37 F HA -0.207 4.319 4.527 -0.001 0.000 0.300 37 F C 2.932 178.724 175.800 -0.013 0.000 1.085 37 F CA 1.478 59.472 58.000 -0.009 0.000 1.326 37 F CB -0.056 38.928 39.000 -0.027 0.000 1.027 37 F HN 0.386 nan 8.300 nan 0.000 0.497 38 S N -0.049 115.753 115.700 0.169 0.000 2.469 38 S HA -0.165 4.304 4.470 -0.001 0.000 0.238 38 S C 1.387 176.024 174.600 0.061 0.000 0.998 38 S CA 0.871 59.123 58.200 0.087 0.000 0.957 38 S CB -0.446 62.785 63.200 0.052 0.000 0.764 38 S HN 0.405 nan 8.310 nan 0.000 0.514 39 K N 1.715 122.149 120.400 0.057 0.000 2.397 39 K HA 0.222 4.542 4.320 -0.001 0.000 0.202 39 K C 0.255 176.879 176.600 0.040 0.000 1.022 39 K CA 0.095 56.404 56.287 0.036 0.000 1.141 39 K CB 0.601 33.112 32.500 0.019 0.000 0.857 39 K HN 0.516 nan 8.250 nan 0.000 0.514 40 S N -1.577 114.164 115.700 0.069 0.000 2.599 40 S HA 0.156 4.626 4.470 -0.001 0.000 0.294 40 S C 0.808 175.485 174.600 0.128 0.000 1.094 40 S CA -0.774 57.480 58.200 0.090 0.000 0.931 40 S CB 1.663 64.914 63.200 0.085 0.000 1.093 40 S HN 0.294 nan 8.310 nan 0.000 0.488 41 H N 1.644 120.732 119.070 0.030 0.000 2.321 41 H HA -0.084 4.472 4.556 -0.001 0.000 0.295 41 H C 1.444 176.798 175.328 0.043 0.000 1.102 41 H CA 2.584 58.648 56.048 0.026 0.000 1.266 41 H CB -0.363 29.404 29.762 0.009 0.000 1.363 41 H HN 0.598 nan 8.280 nan 0.000 0.492 42 L N -0.355 120.949 121.223 0.134 0.000 2.191 42 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 42 L C 2.804 179.668 176.870 -0.011 0.000 1.103 42 L CA 0.866 55.744 54.840 0.063 0.000 0.769 42 L CB -0.681 41.531 42.059 0.256 0.000 0.908 42 L HN 0.549 nan 8.230 nan 0.000 0.438 43 G N 0.062 108.911 108.800 0.082 0.000 2.479 43 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.220 43 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.220 43 G C 1.637 176.498 174.900 -0.065 0.000 1.115 43 G CA 0.401 45.514 45.100 0.021 0.000 0.757 43 G HN 0.359 nan 8.290 nan 0.000 0.560 44 K N -0.316 120.026 120.400 -0.097 0.000 2.283 44 K HA 0.030 4.349 4.320 -0.001 0.000 0.202 44 K C 2.147 178.682 176.600 -0.108 0.000 1.048 44 K CA 0.613 56.839 56.287 -0.102 0.000 0.948 44 K CB 0.011 32.423 32.500 -0.146 0.000 0.742 44 K HN 0.173 nan 8.250 nan 0.000 0.458 45 R N 0.436 120.846 120.500 -0.150 0.000 2.472 45 R HA 0.146 4.485 4.340 -0.001 0.000 0.279 45 R C -0.381 175.793 176.300 -0.209 0.000 0.953 45 R CA -0.203 55.805 56.100 -0.154 0.000 1.088 45 R CB 0.864 31.075 30.300 -0.149 0.000 1.197 45 R HN -0.103 nan 8.270 nan 0.000 0.536 46 V N 2.819 122.594 119.914 -0.230 0.000 2.599 46 V HA -0.036 4.083 4.120 -0.001 0.000 0.300 46 V C 0.534 176.470 176.094 -0.264 0.000 1.034 46 V CA 0.586 62.711 62.300 -0.292 0.000 1.115 46 V CB 0.708 32.341 31.823 -0.316 0.000 0.934 46 V HN 0.140 nan 8.190 nan 0.000 0.485 47 I N 4.613 125.008 120.570 -0.292 0.000 2.354 47 I HA 0.345 4.515 4.170 -0.001 0.000 0.292 47 I C 0.066 176.092 176.117 -0.152 0.000 0.989 47 I CA -0.289 60.845 61.300 -0.277 0.000 1.188 47 I CB 1.316 39.154 38.000 -0.271 0.000 1.342 47 I HN 0.666 nan 8.210 nan 0.000 0.457 48 N N 8.153 126.803 118.700 -0.082 0.000 2.527 48 N HA 0.339 5.078 4.740 -0.001 0.000 0.236 48 N C -2.440 173.038 175.510 -0.054 0.000 0.999 48 N CA -1.081 51.902 53.050 -0.112 0.000 0.935 48 N CB 1.211 39.599 38.487 -0.166 0.000 1.132 48 N HN 0.407 nan 8.380 nan 0.000 0.511 49 P HA 0.133 nan 4.420 nan 0.000 0.278 49 P C 0.195 177.602 177.300 0.177 0.000 1.266 49 P CA -0.384 62.806 63.100 0.151 0.000 0.807 49 P CB 1.207 33.071 31.700 0.274 0.000 1.094 50 A N 1.272 124.223 122.820 0.219 0.000 1.933 50 A HA 0.009 4.329 4.320 -0.001 0.000 0.218 50 A C 1.198 179.036 177.584 0.424 0.000 1.175 50 A CA 2.097 54.290 52.037 0.261 0.000 0.628 50 A CB -1.233 17.894 19.000 0.213 0.000 0.814 50 A HN 0.768 nan 8.150 nan 0.000 0.444 51 T N -4.929 109.868 114.554 0.405 0.000 2.896 51 T HA 0.561 4.911 4.350 -0.001 0.000 0.297 51 T C 0.116 174.971 174.700 0.259 0.000 1.108 51 T CA -0.195 62.106 62.100 0.335 0.000 1.004 51 T CB 1.645 70.639 68.868 0.211 0.000 1.159 51 T HN 0.063 nan 8.240 nan 0.000 0.499 52 E N 0.165 120.357 120.200 -0.014 0.000 2.106 52 E HA 0.028 4.378 4.350 -0.001 0.000 0.192 52 E C 1.788 178.171 176.600 -0.361 0.000 0.984 52 E CA 0.731 56.943 56.400 -0.313 0.000 0.806 52 E CB -0.241 29.083 29.700 -0.626 0.000 0.750 52 E HN 0.523 nan 8.360 nan 0.000 0.458 53 L N 0.328 121.452 121.223 -0.165 0.000 2.056 53 L HA 0.022 4.362 4.340 -0.001 0.000 0.207 53 L C 2.072 178.891 176.870 -0.084 0.000 1.078 53 L CA 2.199 56.964 54.840 -0.126 0.000 0.749 53 L CB -1.014 41.099 42.059 0.091 0.000 0.901 53 L HN 0.165 nan 8.230 nan 0.000 0.433 54 G N -0.895 107.913 108.800 0.013 0.000 2.446 54 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 54 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 54 G C 1.524 176.476 174.900 0.088 0.000 1.168 54 G CA 0.633 45.706 45.100 -0.045 0.000 0.771 54 G HN 0.596 nan 8.290 nan 0.000 0.551 55 G N 0.972 109.871 108.800 0.164 0.000 2.422 55 G HA2 0.060 4.020 3.960 -0.001 0.000 0.218 55 G HA3 0.060 4.020 3.960 -0.001 0.000 0.218 55 G C 2.024 177.109 174.900 0.308 0.000 1.146 55 G CA 1.469 46.753 45.100 0.307 0.000 0.769 55 G HN 0.663 nan 8.290 nan 0.000 0.547 56 A N 0.030 122.922 122.820 0.119 0.000 1.969 56 A HA -0.008 4.311 4.320 -0.001 0.000 0.218 56 A C 2.172 179.768 177.584 0.019 0.000 1.169 56 A CA 1.210 53.297 52.037 0.083 0.000 0.635 56 A CB -0.641 18.192 19.000 -0.277 0.000 0.810 56 A HN 0.560 nan 8.150 nan 0.000 0.445 57 W N -0.363 120.935 121.300 -0.004 0.000 2.388 57 W HA -0.124 4.536 4.660 -0.001 0.000 0.294 57 W C 2.483 179.010 176.519 0.014 0.000 1.212 57 W CA 1.086 58.415 57.345 -0.026 0.000 1.271 57 W CB -0.254 29.125 29.460 -0.135 0.000 1.126 57 W HN 0.257 nan 8.180 nan 0.000 0.535 58 M N -0.497 119.250 119.600 0.246 0.000 2.117 58 M HA -0.231 4.248 4.480 -0.001 0.000 0.262 58 M C 1.887 178.301 176.300 0.190 0.000 1.065 58 M CA 1.383 56.784 55.300 0.168 0.000 1.114 58 M CB -1.056 31.608 32.600 0.107 0.000 1.361 58 M HN -0.169 nan 8.290 nan 0.000 0.408 59 V N 1.072 121.093 119.914 0.179 0.000 2.287 59 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 59 V C 2.041 178.244 176.094 0.182 0.000 1.053 59 V CA 1.937 64.315 62.300 0.131 0.000 1.027 59 V CB -0.918 30.967 31.823 0.104 0.000 0.646 59 V HN 0.477 nan 8.190 nan 0.000 0.447 60 N N 0.810 119.638 118.700 0.213 0.000 2.120 60 N HA -0.112 4.627 4.740 -0.001 0.000 0.188 60 N C 1.900 177.579 175.510 0.281 0.000 1.024 60 N CA 1.684 54.880 53.050 0.243 0.000 0.852 60 N CB -0.848 37.814 38.487 0.292 0.000 1.003 60 N HN 0.510 nan 8.380 nan 0.000 0.424 61 G N -0.508 108.453 108.800 0.267 0.000 2.418 61 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.217 61 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.217 61 G C 1.562 176.598 174.900 0.226 0.000 1.158 61 G CA 0.553 45.786 45.100 0.221 0.000 0.771 61 G HN 0.371 nan 8.290 nan 0.000 0.545 62 Y N 1.699 122.057 120.300 0.096 0.000 2.097 62 Y HA -0.168 4.381 4.550 -0.001 0.000 0.282 62 Y C 2.727 178.666 175.900 0.066 0.000 1.152 62 Y CA 1.989 60.125 58.100 0.060 0.000 1.136 62 Y CB 0.061 38.538 38.460 0.028 0.000 0.975 62 Y HN 0.152 nan 8.280 nan 0.000 0.498 63 N N -0.970 117.933 118.700 0.337 0.000 2.409 63 N HA -0.170 4.570 4.740 -0.001 0.000 0.179 63 N C 1.481 177.073 175.510 0.136 0.000 1.032 63 N CA 1.021 54.205 53.050 0.223 0.000 0.898 63 N CB -0.744 37.838 38.487 0.159 0.000 0.971 63 N HN 0.508 nan 8.380 nan 0.000 0.441 64 Y N 1.929 122.283 120.300 0.091 0.000 2.181 64 Y HA -0.197 4.353 4.550 -0.001 0.000 0.288 64 Y C 2.158 178.077 175.900 0.031 0.000 1.146 64 Y CA 1.411 59.548 58.100 0.061 0.000 1.164 64 Y CB -0.280 38.225 38.460 0.075 0.000 0.982 64 Y HN -0.041 nan 8.280 nan 0.000 0.515 65 V N -2.022 117.850 119.914 -0.071 0.000 2.871 65 V HA -0.051 4.069 4.120 -0.001 0.000 0.256 65 V C 1.797 177.796 176.094 -0.160 0.000 1.082 65 V CA 1.611 63.817 62.300 -0.156 0.000 1.105 65 V CB -0.388 31.407 31.823 -0.047 0.000 0.713 65 V HN 0.192 nan 8.190 nan 0.000 0.473 66 K N -0.707 119.633 120.400 -0.099 0.000 2.323 66 K HA 0.071 4.390 4.320 -0.001 0.000 0.197 66 K C 0.544 177.119 176.600 -0.043 0.000 1.043 66 K CA 0.672 56.929 56.287 -0.050 0.000 0.997 66 K CB -0.252 32.272 32.500 0.040 0.000 0.807 66 K HN 0.522 nan 8.250 nan 0.000 0.497 67 D N 1.301 121.655 120.400 -0.077 0.000 2.837 67 D HA -0.186 4.454 4.640 -0.001 0.000 0.230 67 D C -0.137 176.155 176.300 -0.013 0.000 1.152 67 D CA 1.111 55.069 54.000 -0.071 0.000 0.736 67 D CB -0.631 40.115 40.800 -0.091 0.000 1.084 67 D HN 0.522 nan 8.370 nan 0.000 0.429 68 R N -2.404 118.115 120.500 0.030 0.000 2.728 68 R HA 0.461 4.800 4.340 -0.001 0.000 0.274 68 R C -0.573 175.783 176.300 0.095 0.000 1.030 68 R CA -0.837 55.302 56.100 0.066 0.000 0.876 68 R CB 0.830 31.182 30.300 0.086 0.000 1.259 68 R HN -0.139 nan 8.270 nan 0.000 0.468 69 S N 0.389 116.157 115.700 0.114 0.000 3.811 69 S HA 0.224 4.694 4.470 -0.001 0.000 0.205 69 S C 1.012 175.709 174.600 0.161 0.000 1.445 69 S CA 0.184 58.431 58.200 0.078 0.000 1.097 69 S CB -0.433 62.716 63.200 -0.085 0.000 1.350 69 S HN 0.608 nan 8.310 nan 0.000 0.471 70 A N 1.890 124.799 122.820 0.147 0.000 1.969 70 A HA 0.444 4.763 4.320 -0.001 0.000 0.218 70 A C 1.239 178.763 177.584 -0.101 0.000 1.169 70 A CA 0.948 53.059 52.037 0.123 0.000 0.635 70 A CB -0.356 18.813 19.000 0.281 0.000 0.810 70 A HN 0.823 nan 8.150 nan 0.000 0.445 71 A N -0.190 122.494 122.820 -0.227 0.000 2.306 71 A HA 0.600 4.919 4.320 -0.001 0.000 0.314 71 A C -0.142 177.304 177.584 -0.231 0.000 1.164 71 A CA 0.092 51.891 52.037 -0.396 0.000 0.822 71 A CB 0.818 19.503 19.000 -0.526 0.000 1.130 71 A HN 1.326 nan 8.150 nan 0.000 0.496 72 V N -0.223 119.541 119.914 -0.250 0.000 2.876 72 V HA 0.938 5.058 4.120 -0.001 0.000 0.312 72 V C 0.128 176.016 176.094 -0.344 0.000 1.085 72 V CA -0.071 62.065 62.300 -0.274 0.000 0.945 72 V CB 1.442 33.183 31.823 -0.136 0.000 1.017 72 V HN 1.381 nan 8.190 nan 0.000 0.428 73 G N 1.689 110.241 108.800 -0.414 0.000 2.389 73 G HA2 0.810 4.770 3.960 -0.001 0.000 0.317 73 G HA3 0.810 4.770 3.960 -0.001 0.000 0.317 73 G C -0.410 174.019 174.900 -0.785 0.000 1.137 73 G CA -0.341 44.428 45.100 -0.553 0.000 0.870 73 G HN 1.844 nan 8.290 nan 0.000 0.496 74 A N 1.320 123.352 122.820 -1.314 0.000 2.446 74 A HA 0.697 5.017 4.320 -0.001 0.000 0.282 74 A C -1.557 175.648 177.584 -0.632 0.000 1.102 74 A CA -0.672 50.952 52.037 -0.689 0.000 0.737 74 A CB 0.676 19.532 19.000 -0.240 0.000 1.212 74 A HN 0.689 nan 8.150 nan 0.000 0.434 75 W N 1.126 122.527 121.300 0.168 0.000 2.839 75 W HA 0.500 5.160 4.660 -0.001 0.000 0.334 75 W C 0.208 176.826 176.519 0.165 0.000 1.064 75 W CA -0.695 56.760 57.345 0.183 0.000 1.236 75 W CB 1.072 30.621 29.460 0.149 0.000 1.405 75 W HN 0.893 nan 8.180 nan 0.000 0.478 76 H N 2.694 121.932 119.070 0.280 0.000 3.034 76 H HA 0.027 4.583 4.556 -0.000 0.000 0.324 76 H C 1.568 176.938 175.328 0.071 0.000 1.015 76 H CA 0.692 56.793 56.048 0.088 0.000 1.429 76 H CB 0.851 30.626 29.762 0.021 0.000 1.429 76 H HN 0.807 nan 8.280 nan 0.000 0.585 77 C N 3.039 122.085 119.300 -0.424 0.000 2.170 77 C HA -0.361 4.099 4.460 -0.001 0.000 0.240 77 C C 2.655 177.555 174.990 -0.150 0.000 1.066 77 C CA 2.287 61.127 59.018 -0.298 0.000 1.796 77 C CB -1.986 25.498 27.740 -0.426 0.000 1.555 77 C HN 0.928 nan 8.230 nan 0.000 0.365 78 V N 1.154 120.942 119.914 -0.211 0.000 2.913 78 V HA 0.221 4.341 4.120 -0.001 0.000 0.260 78 V C 2.475 178.545 176.094 -0.040 0.000 1.098 78 V CA 2.251 64.514 62.300 -0.063 0.000 1.121 78 V CB -1.996 29.806 31.823 -0.035 0.000 0.714 78 V HN 1.036 nan 8.190 nan 0.000 0.487 79 G N 0.709 109.491 108.800 -0.031 0.000 2.471 79 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.219 79 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.219 79 G C 1.347 176.154 174.900 -0.155 0.000 1.125 79 G CA 0.702 45.730 45.100 -0.121 0.000 0.775 79 G HN 0.578 nan 8.290 nan 0.000 0.548 80 N N 0.542 119.229 118.700 -0.023 0.000 2.364 80 N HA -0.046 4.694 4.740 -0.001 0.000 0.183 80 N C 2.013 177.545 175.510 0.036 0.000 1.022 80 N CA 0.530 53.572 53.050 -0.013 0.000 0.883 80 N CB -0.101 38.522 38.487 0.226 0.000 0.965 80 N HN 0.316 nan 8.380 nan 0.000 0.438 81 L N 0.306 121.553 121.223 0.041 0.000 2.456 81 L HA -0.085 4.255 4.340 -0.001 0.000 0.224 81 L C 1.305 178.234 176.870 0.098 0.000 1.148 81 L CA 0.446 55.345 54.840 0.098 0.000 0.825 81 L CB -0.092 41.971 42.059 0.008 0.000 0.937 81 L HN 0.054 nan 8.230 nan 0.000 0.450 82 L N -1.147 120.053 121.223 -0.038 0.000 2.592 82 L HA 0.028 4.368 4.340 -0.001 0.000 0.227 82 L C 1.801 178.598 176.870 -0.122 0.000 1.127 82 L CA 0.663 55.464 54.840 -0.066 0.000 0.884 82 L CB -0.061 41.916 42.059 -0.136 0.000 1.065 82 L HN 0.163 nan 8.230 nan 0.000 0.457 83 L N -1.801 119.303 121.223 -0.198 0.000 2.341 83 L HA -0.060 4.280 4.340 -0.001 0.000 0.214 83 L C 2.268 178.969 176.870 -0.281 0.000 1.115 83 L CA 0.323 54.921 54.840 -0.404 0.000 0.820 83 L CB -0.512 41.165 42.059 -0.636 0.000 0.944 83 L HN 0.320 nan 8.230 nan 0.000 0.452 84 H N 0.391 119.400 119.070 -0.102 0.000 2.352 84 H HA -0.150 4.405 4.556 -0.001 0.000 0.299 84 H C 2.343 177.594 175.328 -0.128 0.000 1.097 84 H CA 1.500 57.511 56.048 -0.062 0.000 1.311 84 H CB -0.295 29.418 29.762 -0.083 0.000 1.377 84 H HN 0.345 nan 8.280 nan 0.000 0.504 85 A N 0.952 123.762 122.820 -0.017 0.000 1.858 85 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 85 A C 2.577 179.988 177.584 -0.288 0.000 1.190 85 A CA 1.885 53.890 52.037 -0.053 0.000 0.617 85 A CB -1.220 17.821 19.000 0.069 0.000 0.827 85 A HN 0.482 nan 8.150 nan 0.000 0.443 86 A N -1.040 121.393 122.820 -0.646 0.000 1.933 86 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 86 A C 2.269 179.543 177.584 -0.516 0.000 1.175 86 A CA 1.808 53.194 52.037 -1.084 0.000 0.628 86 A CB -0.509 17.727 19.000 -1.273 0.000 0.814 86 A HN 0.592 nan 8.150 nan 0.000 0.444 87 M N -1.140 118.247 119.600 -0.356 0.000 2.159 87 M HA -0.209 4.270 4.480 -0.001 0.000 0.263 87 M C 2.329 178.564 176.300 -0.108 0.000 1.063 87 M CA 2.190 57.360 55.300 -0.215 0.000 1.110 87 M CB -0.087 32.363 32.600 -0.249 0.000 1.374 87 M HN 0.526 nan 8.290 nan 0.000 0.411 88 Q N 0.736 120.484 119.800 -0.086 0.000 2.050 88 Q HA -0.252 4.087 4.340 -0.001 0.000 0.202 88 Q C 1.684 177.676 176.000 -0.014 0.000 0.980 88 Q CA 2.324 58.111 55.803 -0.027 0.000 0.840 88 Q CB -0.282 28.453 28.738 -0.004 0.000 0.898 88 Q HN 0.545 nan 8.270 nan 0.000 0.424 89 E N -0.136 120.051 120.200 -0.022 0.000 2.085 89 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 89 E C 1.706 178.337 176.600 0.052 0.000 0.994 89 E CA 1.782 58.215 56.400 0.055 0.000 0.801 89 E CB -0.678 29.126 29.700 0.173 0.000 0.743 89 E HN 0.429 nan 8.360 nan 0.000 0.453 90 A N 0.971 123.798 122.820 0.011 0.000 1.933 90 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 90 A C 2.296 179.905 177.584 0.041 0.000 1.175 90 A CA 1.730 53.792 52.037 0.043 0.000 0.628 90 A CB -0.641 18.378 19.000 0.032 0.000 0.814 90 A HN 0.284 nan 8.150 nan 0.000 0.444 91 R N -0.284 120.230 120.500 0.023 0.000 2.082 91 R HA -0.145 4.195 4.340 -0.001 0.000 0.228 91 R C 2.380 178.702 176.300 0.035 0.000 1.140 91 R CA 2.454 58.570 56.100 0.026 0.000 0.920 91 R CB -0.781 29.532 30.300 0.021 0.000 0.828 91 R HN 0.605 nan 8.270 nan 0.000 0.430 92 T N -2.810 111.765 114.554 0.034 0.000 2.995 92 T HA 0.026 4.376 4.350 -0.001 0.000 0.269 92 T C 1.762 176.495 174.700 0.055 0.000 1.091 92 T CA 0.910 63.033 62.100 0.038 0.000 1.128 92 T CB -0.089 68.791 68.868 0.021 0.000 0.891 92 T HN 0.418 nan 8.240 nan 0.000 0.492 93 G N 1.021 109.863 108.800 0.069 0.000 3.088 93 G HA2 0.150 4.109 3.960 -0.001 0.000 0.212 93 G HA3 0.150 4.109 3.960 -0.001 0.000 0.212 93 G C 0.256 175.227 174.900 0.118 0.000 1.173 93 G CA -0.745 44.414 45.100 0.098 0.000 0.779 93 G HN 0.316 nan 8.290 nan 0.000 0.540 94 R N -0.593 119.956 120.500 0.081 0.000 3.336 94 R HA -0.161 4.179 4.340 -0.001 0.000 0.260 94 R C -0.374 175.969 176.300 0.072 0.000 1.032 94 R CA 0.480 56.614 56.100 0.058 0.000 0.693 94 R CB -2.975 27.353 30.300 0.047 0.000 1.134 94 R HN 0.495 nan 8.270 nan 0.000 0.433 95 I N 2.392 123.015 120.570 0.089 0.000 2.330 95 I HA 0.248 4.418 4.170 -0.001 0.000 0.289 95 I C -1.682 174.464 176.117 0.048 0.000 1.001 95 I CA -2.350 59.014 61.300 0.105 0.000 1.193 95 I CB 1.787 39.888 38.000 0.167 0.000 1.345 95 I HN -0.198 nan 8.210 nan 0.000 0.461 96 P HA 0.193 nan 4.420 nan 0.000 0.267 96 P C -0.885 176.398 177.300 -0.028 0.000 1.205 96 P CA 0.008 63.097 63.100 -0.017 0.000 0.765 96 P CB 1.119 32.809 31.700 -0.016 0.000 0.828 97 A N 3.182 125.954 122.820 -0.080 0.000 2.540 97 A HA 0.545 4.865 4.320 -0.001 0.000 0.297 97 A C -1.282 176.160 177.584 -0.238 0.000 1.056 97 A CA -0.553 51.404 52.037 -0.134 0.000 0.700 97 A CB 1.394 20.383 19.000 -0.019 0.000 1.280 97 A HN 0.259 nan 8.150 nan 0.000 0.398 98 V N 3.843 123.513 119.914 -0.407 0.000 2.459 98 V HA 0.509 4.629 4.120 -0.001 0.000 0.295 98 V C -0.680 175.152 176.094 -0.437 0.000 1.029 98 V CA -0.492 61.547 62.300 -0.435 0.000 0.874 98 V CB 1.568 32.933 31.823 -0.763 0.000 0.985 98 V HN 0.890 nan 8.190 nan 0.000 0.438 99 H N 5.047 124.068 119.070 -0.083 0.000 2.547 99 H HA 0.494 5.050 4.556 -0.001 0.000 0.342 99 H C -1.027 174.249 175.328 -0.086 0.000 1.048 99 H CA -0.630 55.447 56.048 0.048 0.000 1.204 99 H CB 2.295 32.200 29.762 0.237 0.000 1.493 99 H HN 0.348 nan 8.280 nan 0.000 0.511 100 I N 2.749 123.322 120.570 0.006 0.000 2.328 100 I HA 0.207 4.376 4.170 -0.001 0.000 0.287 100 I C 1.006 177.136 176.117 0.021 0.000 1.012 100 I CA -0.383 60.863 61.300 -0.091 0.000 1.195 100 I CB 0.982 38.949 38.000 -0.056 0.000 1.350 100 I HN 0.589 nan 8.210 nan 0.000 0.464 101 G N 7.239 115.990 108.800 -0.082 0.000 2.335 101 G HA2 0.528 4.487 3.960 -0.001 0.000 0.316 101 G HA3 0.528 4.487 3.960 -0.001 0.000 0.316 101 G C -0.477 174.480 174.900 0.096 0.000 1.129 101 G CA -0.415 44.786 45.100 0.169 0.000 0.899 101 G HN 0.332 nan 8.290 nan 0.000 0.448 102 L N 3.360 124.666 121.223 0.139 0.000 2.259 102 L HA 0.298 4.638 4.340 -0.001 0.000 0.288 102 L C 0.484 177.404 176.870 0.083 0.000 1.051 102 L CA -0.867 54.044 54.840 0.118 0.000 0.824 102 L CB 0.137 42.284 42.059 0.147 0.000 1.206 102 L HN 0.457 nan 8.230 nan 0.000 0.429 103 N N 0.881 119.655 118.700 0.124 0.000 2.364 103 N HA 0.247 4.987 4.740 -0.001 0.000 0.264 103 N C 0.189 175.792 175.510 0.155 0.000 1.263 103 N CA -0.134 52.990 53.050 0.122 0.000 0.959 103 N CB 1.041 39.636 38.487 0.180 0.000 1.204 103 N HN 0.459 nan 8.380 nan 0.000 0.550 104 S N -0.072 115.717 115.700 0.148 0.000 2.626 104 S HA -0.007 4.462 4.470 -0.001 0.000 0.257 104 S C -0.192 174.650 174.600 0.403 0.000 1.288 104 S CA -0.462 57.902 58.200 0.273 0.000 0.980 104 S CB 0.195 63.502 63.200 0.178 0.000 0.975 104 S HN 0.554 nan 8.310 nan 0.000 0.577 105 D N 0.494 121.173 120.400 0.465 0.000 2.487 105 D HA 0.080 4.720 4.640 -0.001 0.000 0.243 105 D C 1.336 177.717 176.300 0.135 0.000 1.154 105 D CA 0.304 54.442 54.000 0.230 0.000 0.876 105 D CB 0.782 41.684 40.800 0.170 0.000 1.161 105 D HN 0.560 nan 8.370 nan 0.000 0.478 106 G N 4.152 112.996 108.800 0.074 0.000 2.462 106 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.220 106 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.220 106 G C 1.568 176.498 174.900 0.050 0.000 1.121 106 G CA 0.814 45.951 45.100 0.060 0.000 0.758 106 G HN 0.506 nan 8.290 nan 0.000 0.559 107 R N -0.347 120.173 120.500 0.033 0.000 2.120 107 R HA 0.042 4.382 4.340 -0.001 0.000 0.234 107 R C 1.931 178.260 176.300 0.048 0.000 1.123 107 R CA 1.002 57.119 56.100 0.030 0.000 0.975 107 R CB -0.420 29.889 30.300 0.014 0.000 0.866 107 R HN 0.332 nan 8.270 nan 0.000 0.446 108 L N 0.112 121.377 121.223 0.069 0.000 2.529 108 L HA 0.383 4.722 4.340 -0.001 0.000 0.223 108 L C 0.557 177.474 176.870 0.078 0.000 1.113 108 L CA 0.570 55.454 54.840 0.074 0.000 0.861 108 L CB -0.698 41.415 42.059 0.091 0.000 1.012 108 L HN 0.140 nan 8.230 nan 0.000 0.461 109 A N -0.387 122.487 122.820 0.090 0.000 2.540 109 A HA 0.421 4.741 4.320 -0.001 0.000 0.239 109 A C 1.549 179.182 177.584 0.082 0.000 1.061 109 A CA 0.728 52.826 52.037 0.102 0.000 0.758 109 A CB -0.462 18.614 19.000 0.127 0.000 0.991 109 A HN 0.658 nan 8.150 nan 0.000 0.502 110 G N 1.928 110.773 108.800 0.074 0.000 2.217 110 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.246 110 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.246 110 G C 0.448 175.372 174.900 0.040 0.000 0.990 110 G CA 0.323 45.456 45.100 0.054 0.000 0.627 110 G HN 0.919 nan 8.290 nan 0.000 0.522 111 R N 1.198 121.723 120.500 0.042 0.000 2.442 111 R HA 0.416 4.755 4.340 -0.001 0.000 0.291 111 R C 1.988 178.304 176.300 0.027 0.000 1.069 111 R CA 0.445 56.565 56.100 0.033 0.000 1.022 111 R CB 0.860 31.182 30.300 0.037 0.000 0.976 111 R HN 0.457 nan 8.270 nan 0.000 0.443 112 S N 1.956 117.668 115.700 0.020 0.000 2.423 112 S HA -0.095 4.375 4.470 -0.001 0.000 0.231 112 S C 0.733 175.341 174.600 0.013 0.000 1.014 112 S CA 0.760 58.968 58.200 0.013 0.000 0.965 112 S CB 0.187 63.391 63.200 0.007 0.000 0.785 112 S HN 0.567 nan 8.310 nan 0.000 0.495 113 E N 1.685 121.895 120.200 0.018 0.000 2.496 113 E HA 0.526 4.876 4.350 -0.001 0.000 0.202 113 E C 0.190 176.805 176.600 0.026 0.000 1.021 113 E CA -0.010 56.400 56.400 0.018 0.000 1.015 113 E CB 0.130 29.840 29.700 0.016 0.000 1.102 113 E HN 0.618 nan 8.360 nan 0.000 0.452 114 A N 1.054 123.893 122.820 0.032 0.000 2.407 114 A HA 0.594 4.914 4.320 -0.001 0.000 0.248 114 A C 0.328 177.938 177.584 0.043 0.000 1.082 114 A CA -0.020 52.043 52.037 0.044 0.000 0.785 114 A CB 0.526 19.559 19.000 0.055 0.000 1.020 114 A HN 0.211 nan 8.150 nan 0.000 0.489 115 A N 1.085 123.937 122.820 0.053 0.000 2.312 115 A HA 0.580 4.900 4.320 -0.001 0.000 0.326 115 A C 0.425 178.047 177.584 0.064 0.000 1.172 115 A CA -0.271 51.797 52.037 0.053 0.000 0.821 115 A CB 0.185 19.220 19.000 0.057 0.000 1.166 115 A HN 1.162 nan 8.150 nan 0.000 0.493 116 Q N -0.358 119.470 119.800 0.047 0.000 2.494 116 Q HA -0.152 4.188 4.340 -0.001 0.000 0.272 116 Q C -0.590 175.436 176.000 0.042 0.000 1.145 116 Q CA 0.683 56.505 55.803 0.031 0.000 0.943 116 Q CB -1.212 27.544 28.738 0.030 0.000 1.338 116 Q HN 0.782 nan 8.270 nan 0.000 0.492 117 Q N 0.960 120.795 119.800 0.058 0.000 2.406 117 Q HA 0.285 4.625 4.340 -0.001 0.000 0.242 117 Q C -0.062 175.986 176.000 0.080 0.000 1.036 117 Q CA -0.055 55.800 55.803 0.087 0.000 0.904 117 Q CB 1.204 29.994 28.738 0.087 0.000 1.244 117 Q HN 0.104 nan 8.270 nan 0.000 0.478 118 V N 5.999 125.983 119.914 0.117 0.000 2.555 118 V HA 0.114 4.234 4.120 -0.001 0.000 0.286 118 V C -1.747 174.421 176.094 0.124 0.000 1.044 118 V CA -1.120 61.250 62.300 0.115 0.000 1.026 118 V CB 0.907 32.833 31.823 0.172 0.000 0.981 118 V HN 0.560 nan 8.190 nan 0.000 0.480 119 P HA 0.061 nan 4.420 nan 0.000 0.247 119 P C 0.928 178.126 177.300 -0.169 0.000 1.756 119 P CA -0.354 62.648 63.100 -0.163 0.000 1.117 119 P CB 0.041 31.624 31.700 -0.195 0.000 1.869 120 W N 3.296 124.648 121.300 0.088 0.000 2.421 120 W HA -0.159 4.500 4.660 -0.001 0.000 0.270 120 W C 0.421 177.021 176.519 0.136 0.000 1.233 120 W CA 0.372 57.853 57.345 0.226 0.000 1.226 120 W CB -1.482 28.206 29.460 0.381 0.000 1.121 120 W HN 0.189 nan 8.180 nan 0.000 0.579 121 Q N 1.583 121.003 119.800 -0.634 0.000 2.291 121 Q HA -0.174 4.166 4.340 -0.001 0.000 0.206 121 Q C 2.459 178.312 176.000 -0.244 0.000 0.976 121 Q CA 2.206 57.702 55.803 -0.511 0.000 0.875 121 Q CB -0.749 27.572 28.738 -0.695 0.000 0.927 121 Q HN 0.244 nan 8.270 nan 0.000 0.450 122 S N -0.613 114.896 115.700 -0.319 0.000 2.442 122 S HA -0.097 4.373 4.470 -0.001 0.000 0.236 122 S C 1.162 175.567 174.600 -0.324 0.000 1.007 122 S CA 0.823 58.818 58.200 -0.342 0.000 0.965 122 S CB -0.158 62.791 63.200 -0.419 0.000 0.773 122 S HN 0.463 nan 8.310 nan 0.000 0.504 123 F N 1.102 121.032 119.950 -0.034 0.000 2.743 123 F HA 0.105 4.631 4.527 -0.001 0.000 0.297 123 F C 2.494 178.302 175.800 0.013 0.000 1.131 123 F CA 0.509 58.462 58.000 -0.078 0.000 1.426 123 F CB -0.548 38.315 39.000 -0.228 0.000 1.116 123 F HN 0.125 nan 8.300 nan 0.000 0.583 124 T N 1.056 115.717 114.554 0.179 0.000 2.699 124 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 124 T C -0.503 174.258 174.700 0.101 0.000 1.036 124 T CA 1.406 63.598 62.100 0.154 0.000 1.147 124 T CB -1.256 67.679 68.868 0.111 0.000 0.862 124 T HN 0.137 nan 8.240 nan 0.000 0.446 125 P HA 0.281 nan 4.420 nan 0.000 0.245 125 P C 0.857 178.190 177.300 0.055 0.000 1.212 125 P CA 0.534 63.661 63.100 0.045 0.000 0.774 125 P CB -0.060 31.649 31.700 0.015 0.000 0.999 126 I N -1.444 119.176 120.570 0.083 0.000 3.345 126 I HA 0.167 4.336 4.170 -0.001 0.000 0.258 126 I C 1.121 177.279 176.117 0.069 0.000 1.134 126 I CA -0.179 61.167 61.300 0.077 0.000 1.457 126 I CB -0.719 37.345 38.000 0.106 0.000 1.425 126 I HN -0.243 nan 8.210 nan 0.000 0.461 127 A N 1.231 124.107 122.820 0.095 0.000 2.445 127 A HA 0.153 4.473 4.320 -0.001 0.000 0.242 127 A C 1.135 178.758 177.584 0.064 0.000 1.075 127 A CA -0.027 52.051 52.037 0.069 0.000 0.777 127 A CB 0.146 19.202 19.000 0.093 0.000 1.013 127 A HN 0.282 nan 8.150 nan 0.000 0.493 128 R N 0.183 120.708 120.500 0.042 0.000 2.189 128 R HA 0.008 4.347 4.340 -0.001 0.000 0.218 128 R C 0.321 176.644 176.300 0.038 0.000 1.074 128 R CA 1.289 57.409 56.100 0.035 0.000 0.991 128 R CB 0.020 30.330 30.300 0.017 0.000 0.883 128 R HN 0.591 nan 8.270 nan 0.000 0.457 129 S N 0.094 115.820 115.700 0.044 0.000 2.619 129 S HA 0.288 4.757 4.470 -0.001 0.000 0.280 129 S C -1.066 173.587 174.600 0.089 0.000 1.150 129 S CA -0.616 57.613 58.200 0.047 0.000 0.978 129 S CB 2.033 65.236 63.200 0.004 0.000 1.041 129 S HN -0.019 nan 8.310 nan 0.000 0.485 130 T N 5.105 119.739 114.554 0.133 0.000 2.815 130 T HA 0.500 4.850 4.350 -0.001 0.000 0.289 130 T C -1.009 173.772 174.700 0.133 0.000 1.000 130 T CA -0.538 61.695 62.100 0.221 0.000 0.958 130 T CB 1.316 70.395 68.868 0.353 0.000 0.944 130 T HN 0.670 nan 8.240 nan 0.000 0.442 131 Q N 1.892 121.705 119.800 0.021 0.000 2.321 131 Q HA 0.552 4.892 4.340 -0.001 0.000 0.270 131 Q C -0.594 175.216 176.000 -0.317 0.000 1.032 131 Q CA -1.086 54.643 55.803 -0.123 0.000 0.784 131 Q CB 2.506 31.179 28.738 -0.108 0.000 1.264 131 Q HN 0.335 nan 8.270 nan 0.000 0.448 132 R N 1.869 122.026 120.500 -0.571 0.000 2.229 132 R HA 0.347 4.686 4.340 -0.001 0.000 0.332 132 R C -1.446 174.613 176.300 -0.401 0.000 0.989 132 R CA -0.336 55.296 56.100 -0.780 0.000 0.842 132 R CB 0.790 30.149 30.300 -1.568 0.000 1.119 132 R HN 0.391 nan 8.270 nan 0.000 0.456 133 V N 6.076 125.822 119.914 -0.280 0.000 2.432 133 V HA 0.132 4.252 4.120 -0.001 0.000 0.271 133 V C 0.796 176.812 176.094 -0.130 0.000 1.046 133 V CA -0.027 62.175 62.300 -0.164 0.000 0.945 133 V CB 1.232 32.982 31.823 -0.122 0.000 0.992 133 V HN 0.915 nan 8.190 nan 0.000 0.471 134 E N 3.858 124.001 120.200 -0.095 0.000 2.276 134 E HA 0.147 4.497 4.350 -0.001 0.000 0.193 134 E C 0.335 176.907 176.600 -0.046 0.000 0.983 134 E CA 0.318 56.681 56.400 -0.061 0.000 0.861 134 E CB 0.498 30.173 29.700 -0.041 0.000 0.817 134 E HN 0.568 nan 8.360 nan 0.000 0.485 135 R N 0.625 121.097 120.500 -0.048 0.000 2.628 135 R HA 0.200 4.539 4.340 -0.001 0.000 0.288 135 R C 0.352 176.625 176.300 -0.045 0.000 0.980 135 R CA -0.449 55.626 56.100 -0.042 0.000 0.891 135 R CB 1.694 31.975 30.300 -0.033 0.000 1.188 135 R HN -0.053 nan 8.270 nan 0.000 0.450 136 L N 2.564 123.758 121.223 -0.049 0.000 2.042 136 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 136 L C 1.447 178.293 176.870 -0.041 0.000 1.076 136 L CA 2.252 57.062 54.840 -0.051 0.000 0.749 136 L CB -0.382 41.641 42.059 -0.060 0.000 0.893 136 L HN 0.793 nan 8.230 nan 0.000 0.432 137 D N -1.784 118.595 120.400 -0.036 0.000 2.378 137 D HA -0.141 4.498 4.640 -0.001 0.000 0.227 137 D C 1.290 177.577 176.300 -0.023 0.000 1.012 137 D CA 0.657 54.639 54.000 -0.029 0.000 0.905 137 D CB -0.359 40.425 40.800 -0.027 0.000 0.895 137 D HN 0.346 nan 8.370 nan 0.000 0.532 138 K N 0.425 120.810 120.400 -0.025 0.000 2.358 138 K HA 0.088 4.408 4.320 -0.001 0.000 0.197 138 K C 1.969 178.562 176.600 -0.013 0.000 1.025 138 K CA 0.395 56.671 56.287 -0.018 0.000 1.104 138 K CB 0.981 33.465 32.500 -0.027 0.000 0.855 138 K HN 0.261 nan 8.250 nan 0.000 0.531 139 V N -1.527 118.377 119.914 -0.017 0.000 2.358 139 V HA -0.063 4.057 4.120 -0.001 0.000 0.246 139 V C 2.030 178.140 176.094 0.028 0.000 1.047 139 V CA 2.149 64.443 62.300 -0.009 0.000 1.035 139 V CB -1.268 30.542 31.823 -0.023 0.000 0.658 139 V HN 0.168 nan 8.190 nan 0.000 0.452 140 G N -0.072 108.748 108.800 0.033 0.000 2.404 140 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.215 140 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.215 140 G C 1.527 176.507 174.900 0.133 0.000 1.174 140 G CA 0.921 46.070 45.100 0.082 0.000 0.780 140 G HN 0.689 nan 8.290 nan 0.000 0.537 141 E N 0.555 120.801 120.200 0.076 0.000 2.058 141 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 141 E C 2.694 179.358 176.600 0.106 0.000 0.997 141 E CA 1.282 57.736 56.400 0.090 0.000 0.801 141 E CB -0.306 29.419 29.700 0.041 0.000 0.746 141 E HN 0.332 nan 8.360 nan 0.000 0.450 142 A N 0.789 123.643 122.820 0.056 0.000 1.898 142 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 142 A C 2.184 179.796 177.584 0.047 0.000 1.181 142 A CA 1.331 53.381 52.037 0.021 0.000 0.620 142 A CB -0.547 18.437 19.000 -0.026 0.000 0.819 142 A HN 0.363 nan 8.150 nan 0.000 0.442 143 I N -1.256 119.384 120.570 0.116 0.000 2.315 143 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 143 I C 2.542 178.801 176.117 0.237 0.000 1.117 143 I CA 1.472 62.901 61.300 0.215 0.000 1.404 143 I CB -0.556 37.621 38.000 0.294 0.000 1.071 143 I HN 0.565 nan 8.210 nan 0.000 0.419 144 H N 1.236 120.310 119.070 0.006 0.000 2.319 144 H HA -0.268 4.288 4.556 -0.001 0.000 0.299 144 H C 2.137 177.336 175.328 -0.215 0.000 1.092 144 H CA 2.319 58.119 56.048 -0.413 0.000 1.302 144 H CB 0.182 29.793 29.762 -0.252 0.000 1.373 144 H HN 0.305 nan 8.280 nan 0.000 0.497 145 E N 0.900 120.982 120.200 -0.195 0.000 2.077 145 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 145 E C 2.340 178.850 176.600 -0.151 0.000 0.989 145 E CA 1.539 57.816 56.400 -0.204 0.000 0.800 145 E CB -0.493 29.163 29.700 -0.074 0.000 0.746 145 E HN 0.513 nan 8.360 nan 0.000 0.452 146 A N -0.238 122.527 122.820 -0.090 0.000 1.883 146 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 146 A C 2.143 179.621 177.584 -0.176 0.000 1.186 146 A CA 1.594 53.557 52.037 -0.123 0.000 0.624 146 A CB -1.049 17.868 19.000 -0.139 0.000 0.822 146 A HN 0.389 nan 8.150 nan 0.000 0.444 147 F N -0.293 119.554 119.950 -0.172 0.000 2.186 147 F HA -0.103 4.424 4.527 -0.001 0.000 0.299 147 F C 2.594 178.288 175.800 -0.176 0.000 1.090 147 F CA 1.656 59.564 58.000 -0.154 0.000 1.307 147 F CB -0.245 38.656 39.000 -0.164 0.000 1.019 147 F HN 0.102 nan 8.300 nan 0.000 0.489 148 R N -0.232 120.207 120.500 -0.101 0.000 2.083 148 R HA -0.146 4.194 4.340 -0.001 0.000 0.237 148 R C 2.134 178.390 176.300 -0.073 0.000 1.137 148 R CA 1.672 57.693 56.100 -0.132 0.000 0.951 148 R CB -0.840 29.309 30.300 -0.252 0.000 0.851 148 R HN 0.168 nan 8.270 nan 0.000 0.434 149 V N 0.727 120.592 119.914 -0.081 0.000 2.379 149 V HA -0.186 3.934 4.120 -0.001 0.000 0.245 149 V C 2.412 178.476 176.094 -0.050 0.000 1.044 149 V CA 1.838 64.106 62.300 -0.053 0.000 1.036 149 V CB -0.658 31.136 31.823 -0.048 0.000 0.664 149 V HN 0.403 nan 8.190 nan 0.000 0.453 150 A N -0.260 122.512 122.820 -0.079 0.000 1.940 150 A HA -0.227 4.093 4.320 -0.001 0.000 0.219 150 A C 1.992 179.543 177.584 -0.054 0.000 1.176 150 A CA 1.844 53.829 52.037 -0.086 0.000 0.631 150 A CB -0.371 18.526 19.000 -0.171 0.000 0.814 150 A HN 0.648 nan 8.150 nan 0.000 0.446 151 E N -0.359 119.825 120.200 -0.026 0.000 2.444 151 E HA 0.226 4.575 4.350 -0.001 0.000 0.191 151 E C 1.060 177.650 176.600 -0.018 0.000 1.041 151 E CA -0.096 56.299 56.400 -0.008 0.000 0.883 151 E CB 0.263 29.997 29.700 0.056 0.000 1.024 151 E HN 0.562 nan 8.360 nan 0.000 0.470 152 G N 0.074 108.864 108.800 -0.017 0.000 2.489 152 G HA2 0.076 4.035 3.960 -0.001 0.000 0.271 152 G HA3 0.076 4.035 3.960 -0.001 0.000 0.271 152 G C -0.306 174.561 174.900 -0.055 0.000 1.427 152 G CA -0.451 44.669 45.100 0.033 0.000 1.057 152 G HN 0.254 nan 8.290 nan 0.000 0.532 153 H N 1.060 120.134 119.070 0.007 0.000 2.792 153 H HA 0.267 4.822 4.556 -0.001 0.000 0.298 153 H C -1.897 173.437 175.328 0.010 0.000 1.042 153 H CA -0.912 55.142 56.048 0.009 0.000 1.300 153 H CB 1.598 31.364 29.762 0.006 0.000 1.431 153 H HN 0.333 nan 8.280 nan 0.000 0.496 154 P HA 0.255 nan 4.420 nan 0.000 0.277 154 P C -0.187 177.084 177.300 -0.048 0.000 1.240 154 P CA -0.555 62.547 63.100 0.004 0.000 0.798 154 P CB 1.384 33.101 31.700 0.027 0.000 0.979 155 A N 1.314 124.073 122.820 -0.102 0.000 2.313 155 A HA 0.683 5.003 4.320 -0.001 0.000 0.261 155 A C 0.597 178.164 177.584 -0.028 0.000 1.090 155 A CA 0.508 52.496 52.037 -0.082 0.000 0.807 155 A CB -0.180 18.758 19.000 -0.103 0.000 1.055 155 A HN 0.872 nan 8.150 nan 0.000 0.492 156 G N -0.446 108.341 108.800 -0.021 0.000 2.321 156 G HA2 0.541 4.500 3.960 -0.001 0.000 0.296 156 G HA3 0.541 4.500 3.960 -0.001 0.000 0.296 156 G C -3.501 171.392 174.900 -0.012 0.000 1.287 156 G CA -0.384 44.715 45.100 -0.002 0.000 0.846 156 G HN 0.624 nan 8.290 nan 0.000 0.508 157 P HA 0.575 nan 4.420 nan 0.000 0.286 157 P C -0.784 176.517 177.300 0.002 0.000 1.261 157 P CA -0.177 62.931 63.100 0.015 0.000 0.821 157 P CB 2.002 33.727 31.700 0.042 0.000 1.013 158 A N 2.775 125.586 122.820 -0.015 0.000 2.374 158 A HA 0.570 4.889 4.320 -0.001 0.000 0.305 158 A C -1.837 175.762 177.584 0.025 0.000 1.053 158 A CA -0.602 51.423 52.037 -0.021 0.000 0.726 158 A CB 1.038 19.975 19.000 -0.106 0.000 1.229 158 A HN 0.546 nan 8.150 nan 0.000 0.431 159 Y N 2.303 122.549 120.300 -0.091 0.000 2.364 159 Y HA 0.598 5.148 4.550 -0.001 0.000 0.340 159 Y C -1.069 174.785 175.900 -0.075 0.000 0.975 159 Y CA -0.793 57.231 58.100 -0.127 0.000 1.089 159 Y CB 1.888 40.153 38.460 -0.325 0.000 1.192 159 Y HN 0.469 nan 8.280 nan 0.000 0.454 160 V N 6.024 125.505 119.914 -0.722 0.000 2.407 160 V HA 0.236 4.356 4.120 -0.001 0.000 0.291 160 V C -1.088 174.567 176.094 -0.730 0.000 1.018 160 V CA -0.834 61.149 62.300 -0.528 0.000 0.842 160 V CB 1.492 33.150 31.823 -0.275 0.000 0.996 160 V HN 0.772 nan 8.190 nan 0.000 0.426 161 D N 4.530 124.613 120.400 -0.528 0.000 2.280 161 D HA 0.604 5.243 4.640 -0.001 0.000 0.236 161 D C -0.688 175.491 176.300 -0.202 0.000 1.082 161 D CA -0.140 53.677 54.000 -0.305 0.000 0.834 161 D CB 0.994 41.742 40.800 -0.086 0.000 1.100 161 D HN 0.478 nan 8.370 nan 0.000 0.486 162 I N 5.836 126.349 120.570 -0.095 0.000 2.439 162 I HA 0.307 4.476 4.170 -0.001 0.000 0.283 162 I C -2.177 173.963 176.117 0.038 0.000 1.023 162 I CA -2.290 58.981 61.300 -0.048 0.000 1.100 162 I CB 2.001 39.981 38.000 -0.034 0.000 1.238 162 I HN 0.221 nan 8.210 nan 0.000 0.445 163 P HA -0.035 nan 4.420 nan 0.000 0.267 163 P C 0.606 177.998 177.300 0.152 0.000 1.205 163 P CA 0.064 63.236 63.100 0.121 0.000 0.765 163 P CB 0.345 32.089 31.700 0.074 0.000 0.828 164 F N 2.973 122.946 119.950 0.038 0.000 2.502 164 F HA -0.103 4.423 4.527 -0.001 0.000 0.298 164 F C 1.595 177.388 175.800 -0.012 0.000 1.111 164 F CA 0.620 58.651 58.000 0.052 0.000 1.445 164 F CB -0.777 38.304 39.000 0.135 0.000 1.081 164 F HN 0.181 nan 8.300 nan 0.000 0.558 165 D N 2.087 122.170 120.400 -0.529 0.000 2.190 165 D HA -0.253 4.387 4.640 -0.001 0.000 0.200 165 D C 1.920 178.020 176.300 -0.333 0.000 0.992 165 D CA 1.479 55.154 54.000 -0.543 0.000 0.854 165 D CB -0.940 39.642 40.800 -0.362 0.000 0.936 165 D HN 0.485 nan 8.370 nan 0.000 0.462 166 L N 0.974 122.083 121.223 -0.189 0.000 2.275 166 L HA -0.084 4.256 4.340 -0.001 0.000 0.215 166 L C 2.832 179.610 176.870 -0.152 0.000 1.119 166 L CA 1.503 56.258 54.840 -0.141 0.000 0.790 166 L CB -0.813 41.198 42.059 -0.081 0.000 0.919 166 L HN 0.225 nan 8.230 nan 0.000 0.443 167 T N -3.079 111.385 114.554 -0.149 0.000 3.023 167 T HA 0.017 4.366 4.350 -0.001 0.000 0.266 167 T C 1.809 176.309 174.700 -0.334 0.000 1.093 167 T CA 0.815 62.840 62.100 -0.126 0.000 1.129 167 T CB 0.046 68.952 68.868 0.063 0.000 0.899 167 T HN 0.280 nan 8.240 nan 0.000 0.491 168 A N 1.288 123.715 122.820 -0.655 0.000 1.984 168 A HA 0.216 4.536 4.320 -0.001 0.000 0.214 168 A C 0.965 178.304 177.584 -0.409 0.000 1.173 168 A CA 0.091 51.587 52.037 -0.901 0.000 0.673 168 A CB -0.319 17.922 19.000 -1.265 0.000 0.830 168 A HN 0.463 nan 8.150 nan 0.000 0.453 169 D N 0.596 120.815 120.400 -0.302 0.000 2.390 169 D HA 0.375 5.015 4.640 -0.001 0.000 0.236 169 D C -0.050 176.171 176.300 -0.133 0.000 1.189 169 D CA 0.723 54.613 54.000 -0.184 0.000 0.887 169 D CB 0.387 41.096 40.800 -0.152 0.000 1.198 169 D HN 0.367 nan 8.370 nan 0.000 0.444 170 Q N 0.035 119.780 119.800 -0.093 0.000 2.413 170 Q HA 0.790 5.130 4.340 -0.001 0.000 0.276 170 Q C -0.704 175.263 176.000 -0.055 0.000 1.099 170 Q CA -0.595 55.168 55.803 -0.067 0.000 0.814 170 Q CB 3.042 31.749 28.738 -0.051 0.000 1.379 170 Q HN 0.436 nan 8.270 nan 0.000 0.436 171 I N -0.036 120.505 120.570 -0.047 0.000 2.918 171 I HA 0.295 4.465 4.170 -0.001 0.000 0.301 171 I C -1.561 174.535 176.117 -0.035 0.000 1.312 171 I CA -0.875 60.400 61.300 -0.040 0.000 1.007 171 I CB 2.370 40.344 38.000 -0.042 0.000 1.281 171 I HN 0.685 nan 8.210 nan 0.000 0.440 172 D N 3.203 123.584 120.400 -0.031 0.000 2.425 172 D HA 0.027 4.667 4.640 -0.001 0.000 0.247 172 D C 0.394 176.676 176.300 -0.031 0.000 1.147 172 D CA 0.278 54.261 54.000 -0.028 0.000 0.879 172 D CB 0.863 41.648 40.800 -0.025 0.000 1.179 172 D HN 0.525 nan 8.370 nan 0.000 0.456 173 D N 2.631 123.012 120.400 -0.032 0.000 2.339 173 D HA -0.053 4.586 4.640 -0.001 0.000 0.217 173 D C 0.207 176.486 176.300 -0.034 0.000 1.050 173 D CA -0.265 53.714 54.000 -0.035 0.000 0.856 173 D CB -0.223 40.553 40.800 -0.040 0.000 0.922 173 D HN 0.184 nan 8.370 nan 0.000 0.518 174 K N 0.685 121.067 120.400 -0.031 0.000 2.453 174 K HA 0.221 4.540 4.320 -0.001 0.000 0.280 174 K C 0.797 177.379 176.600 -0.031 0.000 1.045 174 K CA 0.778 57.047 56.287 -0.030 0.000 1.059 174 K CB -0.122 32.362 32.500 -0.026 0.000 0.901 174 K HN 0.134 nan 8.250 nan 0.000 0.475 175 A N 3.325 126.125 122.820 -0.034 0.000 3.153 175 A HA -0.228 4.092 4.320 -0.001 0.000 0.265 175 A C 0.984 178.545 177.584 -0.038 0.000 1.212 175 A CA 1.260 53.275 52.037 -0.037 0.000 1.018 175 A CB -2.235 16.745 19.000 -0.033 0.000 1.130 175 A HN 0.839 nan 8.150 nan 0.000 0.873 176 L N -0.748 120.454 121.223 -0.036 0.000 2.072 176 L HA 0.100 4.440 4.340 -0.001 0.000 0.205 176 L C 0.855 177.710 176.870 -0.026 0.000 1.079 176 L CA 1.520 56.341 54.840 -0.031 0.000 0.752 176 L CB 0.116 42.156 42.059 -0.032 0.000 0.906 176 L HN 0.323 nan 8.230 nan 0.000 0.436 177 V N 2.140 122.034 119.914 -0.034 0.000 2.408 177 V HA 0.224 4.343 4.120 -0.001 0.000 0.267 177 V C -2.114 173.965 176.094 -0.026 0.000 1.047 177 V CA -1.421 60.865 62.300 -0.024 0.000 0.937 177 V CB 0.443 32.224 31.823 -0.069 0.000 0.999 177 V HN 0.178 nan 8.190 nan 0.000 0.472 178 P HA 0.202 nan 4.420 nan 0.000 0.267 178 P C -0.416 176.884 177.300 -0.000 0.000 1.209 178 P CA -0.016 63.040 63.100 -0.074 0.000 0.763 178 P CB 0.379 31.886 31.700 -0.321 0.000 0.816 179 R N 2.472 122.952 120.500 -0.034 0.000 2.532 179 R HA 0.566 4.905 4.340 -0.001 0.000 0.295 179 R C 0.916 177.217 176.300 0.001 0.000 0.968 179 R CA -0.490 55.596 56.100 -0.023 0.000 0.916 179 R CB 0.842 31.113 30.300 -0.048 0.000 1.124 179 R HN 0.755 nan 8.270 nan 0.000 0.463 180 G N 0.835 109.649 108.800 0.024 0.000 2.256 180 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.272 180 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.272 180 G C 0.117 175.055 174.900 0.064 0.000 1.076 180 G CA 0.174 45.292 45.100 0.031 0.000 0.882 180 G HN 0.841 nan 8.290 nan 0.000 0.497 181 A N -0.198 122.700 122.820 0.130 0.000 2.440 181 A HA 0.799 5.118 4.320 -0.001 0.000 0.251 181 A C 0.704 178.348 177.584 0.101 0.000 1.089 181 A CA 1.143 53.269 52.037 0.149 0.000 0.779 181 A CB 0.948 20.096 19.000 0.247 0.000 1.022 181 A HN 1.482 nan 8.150 nan 0.000 0.492 182 T N 1.350 115.950 114.554 0.076 0.000 2.901 182 T HA 0.671 5.021 4.350 -0.001 0.000 0.293 182 T C -0.132 174.597 174.700 0.048 0.000 1.084 182 T CA -0.730 61.401 62.100 0.053 0.000 1.008 182 T CB 0.817 69.709 68.868 0.040 0.000 1.170 182 T HN 0.787 nan 8.240 nan 0.000 0.509 183 R N 0.870 121.395 120.500 0.041 0.000 2.856 183 R HA 0.831 5.171 4.340 -0.001 0.000 0.258 183 R C -0.277 176.042 176.300 0.033 0.000 1.066 183 R CA -1.007 55.116 56.100 0.038 0.000 1.045 183 R CB 0.919 31.245 30.300 0.045 0.000 1.178 183 R HN 0.690 nan 8.270 nan 0.000 0.499 184 A N 1.233 124.070 122.820 0.030 0.000 2.351 184 A HA 0.224 4.543 4.320 -0.001 0.000 0.257 184 A C -0.286 177.315 177.584 0.028 0.000 1.087 184 A CA -0.361 51.691 52.037 0.025 0.000 0.798 184 A CB 0.196 19.207 19.000 0.019 0.000 1.033 184 A HN 0.583 nan 8.150 nan 0.000 0.488 185 K N 0.597 121.013 120.400 0.028 0.000 2.469 185 K HA 0.099 4.419 4.320 -0.001 0.000 0.274 185 K C 0.975 177.586 176.600 0.018 0.000 0.983 185 K CA 0.726 57.032 56.287 0.031 0.000 0.974 185 K CB 0.420 32.945 32.500 0.041 0.000 0.913 185 K HN 0.797 nan 8.250 nan 0.000 0.493 186 S N -0.606 115.102 115.700 0.012 0.000 2.540 186 S HA -0.004 4.465 4.470 -0.001 0.000 0.218 186 S C 0.785 175.360 174.600 -0.041 0.000 0.977 186 S CA -0.463 57.719 58.200 -0.031 0.000 0.918 186 S CB -0.101 63.099 63.200 -0.000 0.000 0.806 186 S HN 0.418 nan 8.310 nan 0.000 0.496 187 V N 0.939 120.850 119.914 -0.006 0.000 1.984 187 V HA 0.431 4.551 4.120 -0.001 0.000 0.272 187 V C -0.214 175.854 176.094 -0.042 0.000 1.706 187 V CA -0.749 61.527 62.300 -0.040 0.000 1.644 187 V CB -1.555 30.267 31.823 -0.002 0.000 1.509 187 V HN 0.208 nan 8.190 nan 0.000 0.511 188 L N 3.666 124.863 121.223 -0.044 0.000 2.477 188 L HA 0.297 4.637 4.340 -0.001 0.000 0.272 188 L C 0.869 177.714 176.870 -0.040 0.000 1.157 188 L CA 0.587 55.437 54.840 0.016 0.000 0.889 188 L CB -0.705 41.339 42.059 -0.025 0.000 1.158 188 L HN 0.527 nan 8.230 nan 0.000 0.473 189 H N 2.406 121.492 119.070 0.026 0.000 2.502 189 H HA 0.507 5.063 4.556 -0.001 0.000 0.327 189 H C -0.001 175.368 175.328 0.068 0.000 1.099 189 H CA -0.639 55.437 56.048 0.046 0.000 1.323 189 H CB 1.400 31.174 29.762 0.021 0.000 1.450 189 H HN 0.755 nan 8.280 nan 0.000 0.502 190 A N 4.699 127.641 122.820 0.204 0.000 2.332 190 A HA 0.306 4.626 4.320 -0.001 0.000 0.258 190 A C -2.167 175.504 177.584 0.146 0.000 1.087 190 A CA -1.446 50.715 52.037 0.206 0.000 0.802 190 A CB -0.210 19.024 19.000 0.389 0.000 1.042 190 A HN 0.450 nan 8.150 nan 0.000 0.489 191 P HA 0.063 nan 4.420 nan 0.000 0.265 191 P C 0.252 177.590 177.300 0.064 0.000 1.193 191 P CA 0.187 63.330 63.100 0.071 0.000 0.765 191 P CB 0.262 31.995 31.700 0.056 0.000 0.823 192 N N 2.087 120.807 118.700 0.034 0.000 2.149 192 N HA -0.216 4.524 4.740 -0.001 0.000 0.188 192 N C 1.522 177.040 175.510 0.013 0.000 1.019 192 N CA 0.762 53.818 53.050 0.010 0.000 0.857 192 N CB -0.082 38.404 38.487 -0.003 0.000 0.997 192 N HN 0.621 nan 8.380 nan 0.000 0.426 193 E N 1.150 121.364 120.200 0.023 0.000 2.204 193 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 193 E C 0.540 177.167 176.600 0.044 0.000 0.989 193 E CA 1.144 57.558 56.400 0.023 0.000 0.824 193 E CB -0.109 29.602 29.700 0.018 0.000 0.756 193 E HN 0.347 nan 8.360 nan 0.000 0.477 194 D N 1.223 121.668 120.400 0.076 0.000 2.149 194 D HA -0.058 4.581 4.640 -0.001 0.000 0.201 194 D C 2.232 178.641 176.300 0.181 0.000 0.972 194 D CA 0.977 55.055 54.000 0.131 0.000 0.835 194 D CB -0.071 40.830 40.800 0.169 0.000 0.966 194 D HN 0.087 nan 8.370 nan 0.000 0.476 195 V N 1.189 121.169 119.914 0.111 0.000 2.343 195 V HA -0.236 3.884 4.120 -0.001 0.000 0.247 195 V C 2.444 178.518 176.094 -0.033 0.000 1.051 195 V CA 1.539 63.807 62.300 -0.052 0.000 1.036 195 V CB -0.415 31.281 31.823 -0.210 0.000 0.654 195 V HN 0.126 nan 8.190 nan 0.000 0.451 196 R N -0.099 120.391 120.500 -0.017 0.000 2.083 196 R HA -0.233 4.106 4.340 -0.001 0.000 0.237 196 R C 2.400 178.700 176.300 0.001 0.000 1.137 196 R CA 1.881 57.970 56.100 -0.018 0.000 0.951 196 R CB -0.358 29.935 30.300 -0.012 0.000 0.851 196 R HN 0.489 nan 8.270 nan 0.000 0.434 197 E N 0.837 121.054 120.200 0.029 0.000 2.051 197 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 197 E C 1.829 178.450 176.600 0.034 0.000 0.991 197 E CA 1.669 58.086 56.400 0.029 0.000 0.799 197 E CB -0.217 29.511 29.700 0.047 0.000 0.748 197 E HN 0.320 nan 8.360 nan 0.000 0.449 198 A N 0.807 123.695 122.820 0.113 0.000 1.908 198 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 198 A C 2.453 180.070 177.584 0.056 0.000 1.181 198 A CA 2.322 54.461 52.037 0.170 0.000 0.627 198 A CB -1.089 18.149 19.000 0.398 0.000 0.818 198 A HN 0.386 nan 8.150 nan 0.000 0.445 199 A N -0.198 122.630 122.820 0.012 0.000 1.902 199 A HA 0.151 4.471 4.320 -0.001 0.000 0.217 199 A C 2.512 180.069 177.584 -0.045 0.000 1.181 199 A CA 2.141 54.160 52.037 -0.031 0.000 0.623 199 A CB -1.030 17.928 19.000 -0.070 0.000 0.818 199 A HN 1.095 nan 8.150 nan 0.000 0.443 200 A N -1.177 121.612 122.820 -0.052 0.000 1.933 200 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 200 A C 2.129 179.629 177.584 -0.140 0.000 1.175 200 A CA 1.627 53.627 52.037 -0.063 0.000 0.628 200 A CB -0.433 18.539 19.000 -0.047 0.000 0.814 200 A HN 0.516 nan 8.150 nan 0.000 0.444 201 Q N -0.327 119.322 119.800 -0.252 0.000 2.079 201 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 201 Q C 2.197 177.809 176.000 -0.646 0.000 0.974 201 Q CA 1.099 56.562 55.803 -0.567 0.000 0.840 201 Q CB -0.451 27.717 28.738 -0.950 0.000 0.898 201 Q HN 0.718 nan 8.270 nan 0.000 0.430 202 L N -0.093 120.891 121.223 -0.398 0.000 2.046 202 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 202 L C 2.456 179.310 176.870 -0.027 0.000 1.077 202 L CA 0.815 55.588 54.840 -0.112 0.000 0.747 202 L CB -0.524 41.571 42.059 0.060 0.000 0.896 202 L HN 0.028 nan 8.230 nan 0.000 0.432 203 V N -0.044 119.862 119.914 -0.013 0.000 2.295 203 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 203 V C 2.694 178.787 176.094 -0.000 0.000 1.049 203 V CA 1.908 64.231 62.300 0.038 0.000 1.024 203 V CB -0.865 30.993 31.823 0.059 0.000 0.648 203 V HN 0.499 nan 8.190 nan 0.000 0.447 204 A N -0.101 122.688 122.820 -0.051 0.000 1.969 204 A HA 0.212 4.531 4.320 -0.001 0.000 0.218 204 A C 1.593 179.163 177.584 -0.023 0.000 1.169 204 A CA 0.987 52.998 52.037 -0.042 0.000 0.635 204 A CB -0.584 18.377 19.000 -0.066 0.000 0.810 204 A HN 0.610 nan 8.150 nan 0.000 0.445 205 A N -0.390 122.408 122.820 -0.037 0.000 2.483 205 A HA 0.378 4.697 4.320 -0.001 0.000 0.238 205 A C 1.067 178.689 177.584 0.062 0.000 1.070 205 A CA -0.012 52.046 52.037 0.036 0.000 0.770 205 A CB 0.335 19.398 19.000 0.104 0.000 1.008 205 A HN 0.238 nan 8.150 nan 0.000 0.497 206 K N 0.729 121.174 120.400 0.074 0.000 2.242 206 K HA 0.031 4.350 4.320 -0.001 0.000 0.200 206 K C -0.183 176.468 176.600 0.084 0.000 1.050 206 K CA 1.108 57.436 56.287 0.069 0.000 0.981 206 K CB -0.077 32.458 32.500 0.057 0.000 0.795 206 K HN 0.753 nan 8.250 nan 0.000 0.477 207 N N 0.888 119.651 118.700 0.105 0.000 2.687 207 N HA 0.138 4.878 4.740 -0.001 0.000 0.275 207 N C -2.839 172.751 175.510 0.133 0.000 1.789 207 N CA -0.904 52.212 53.050 0.110 0.000 0.806 207 N CB 1.900 40.447 38.487 0.101 0.000 1.256 207 N HN -0.001 nan 8.380 nan 0.000 0.500 208 P HA 0.210 nan 4.420 nan 0.000 0.276 208 P C -0.660 176.704 177.300 0.106 0.000 1.261 208 P CA -0.327 62.895 63.100 0.202 0.000 0.800 208 P CB 1.750 33.623 31.700 0.287 0.000 1.066 209 V N 1.617 121.557 119.914 0.042 0.000 2.925 209 V HA 0.461 4.581 4.120 -0.001 0.000 0.311 209 V C -0.738 175.306 176.094 -0.084 0.000 1.104 209 V CA -1.129 61.149 62.300 -0.037 0.000 0.954 209 V CB 1.931 33.715 31.823 -0.065 0.000 1.022 209 V HN 0.303 nan 8.190 nan 0.000 0.427 210 I N 6.165 126.669 120.570 -0.109 0.000 2.336 210 I HA 0.420 4.589 4.170 -0.001 0.000 0.292 210 I C -0.411 175.601 176.117 -0.175 0.000 0.991 210 I CA -0.350 60.873 61.300 -0.129 0.000 1.227 210 I CB 1.555 39.477 38.000 -0.131 0.000 1.366 210 I HN 0.385 nan 8.210 nan 0.000 0.466 211 L N 6.890 128.009 121.223 -0.174 0.000 2.277 211 L HA 0.666 5.006 4.340 -0.001 0.000 0.284 211 L C -0.287 176.493 176.870 -0.149 0.000 1.028 211 L CA -0.414 54.312 54.840 -0.190 0.000 0.835 211 L CB 1.064 42.980 42.059 -0.238 0.000 1.215 211 L HN 0.723 nan 8.230 nan 0.000 0.425 212 A N 4.072 126.808 122.820 -0.141 0.000 2.271 212 A HA 0.735 5.055 4.320 -0.001 0.000 0.317 212 A C 0.163 177.696 177.584 -0.086 0.000 1.245 212 A CA -0.151 51.830 52.037 -0.095 0.000 0.857 212 A CB 1.228 20.176 19.000 -0.086 0.000 1.175 212 A HN 0.803 nan 8.150 nan 0.000 0.512 213 G N 0.745 109.513 108.800 -0.053 0.000 2.671 213 G HA2 0.458 4.418 3.960 -0.001 0.000 0.275 213 G HA3 0.458 4.418 3.960 -0.001 0.000 0.275 213 G C 1.003 175.898 174.900 -0.009 0.000 1.368 213 G CA 0.024 45.101 45.100 -0.037 0.000 1.044 213 G HN 1.072 nan 8.290 nan 0.000 0.543 214 G N -0.593 108.215 108.800 0.013 0.000 2.462 214 G HA2 0.045 4.004 3.960 -0.001 0.000 0.220 214 G HA3 0.045 4.004 3.960 -0.001 0.000 0.220 214 G C 1.637 176.550 174.900 0.022 0.000 1.121 214 G CA 1.484 46.603 45.100 0.031 0.000 0.758 214 G HN 0.935 nan 8.290 nan 0.000 0.559 215 G N 0.326 109.146 108.800 0.033 0.000 2.448 215 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.219 215 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.219 215 G C 1.671 176.591 174.900 0.033 0.000 1.127 215 G CA 1.004 46.130 45.100 0.044 0.000 0.766 215 G HN 0.329 nan 8.290 nan 0.000 0.552 216 V N 1.285 121.211 119.914 0.020 0.000 2.427 216 V HA -0.104 4.016 4.120 -0.001 0.000 0.248 216 V C 3.246 179.347 176.094 0.011 0.000 1.051 216 V CA 1.843 64.153 62.300 0.017 0.000 1.048 216 V CB -0.662 31.167 31.823 0.010 0.000 0.666 216 V HN 0.462 nan 8.190 nan 0.000 0.456 217 A N 0.208 123.028 122.820 -0.000 0.000 1.873 217 A HA -0.241 4.079 4.320 -0.001 0.000 0.215 217 A C 2.412 179.981 177.584 -0.025 0.000 1.186 217 A CA 1.987 54.013 52.037 -0.018 0.000 0.616 217 A CB -0.565 18.413 19.000 -0.037 0.000 0.823 217 A HN 0.464 nan 8.150 nan 0.000 0.442 218 R N -0.528 119.960 120.500 -0.021 0.000 2.096 218 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 218 R C 2.356 178.669 176.300 0.023 0.000 1.127 218 R CA 1.663 57.756 56.100 -0.013 0.000 0.968 218 R CB -0.306 29.991 30.300 -0.004 0.000 0.861 218 R HN 0.479 nan 8.270 nan 0.000 0.440 219 S N -0.846 114.875 115.700 0.035 0.000 2.453 219 S HA 0.002 4.471 4.470 -0.001 0.000 0.231 219 S C 0.963 175.576 174.600 0.023 0.000 1.005 219 S CA 1.046 59.269 58.200 0.037 0.000 0.949 219 S CB -0.147 63.074 63.200 0.035 0.000 0.774 219 S HN 0.712 nan 8.310 nan 0.000 0.510 220 G N 0.035 108.843 108.800 0.014 0.000 2.182 220 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.248 220 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.248 220 G C 0.487 175.397 174.900 0.017 0.000 1.042 220 G CA 0.205 45.312 45.100 0.011 0.000 0.775 220 G HN 0.824 nan 8.290 nan 0.000 0.501 221 G N -0.423 108.390 108.800 0.021 0.000 3.233 221 G HA2 0.364 4.324 3.960 -0.001 0.000 0.227 221 G HA3 0.364 4.324 3.960 -0.001 0.000 0.227 221 G C 1.468 176.389 174.900 0.036 0.000 1.175 221 G CA 1.360 46.477 45.100 0.028 0.000 0.781 221 G HN 0.578 nan 8.290 nan 0.000 0.542 222 S N 1.096 116.817 115.700 0.035 0.000 2.359 222 S HA -0.138 4.331 4.470 -0.001 0.000 0.224 222 S C 2.196 176.828 174.600 0.055 0.000 1.035 222 S CA 1.715 59.944 58.200 0.049 0.000 1.018 222 S CB -0.082 63.138 63.200 0.032 0.000 0.876 222 S HN 0.555 nan 8.310 nan 0.000 0.448 223 E N 1.776 122.000 120.200 0.039 0.000 2.077 223 E HA -0.014 4.335 4.350 -0.001 0.000 0.193 223 E C 2.267 178.895 176.600 0.047 0.000 0.989 223 E CA 1.121 57.544 56.400 0.040 0.000 0.800 223 E CB -0.428 29.290 29.700 0.030 0.000 0.746 223 E HN 0.497 nan 8.360 nan 0.000 0.452 224 A N 0.855 123.698 122.820 0.040 0.000 1.902 224 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 224 A C 2.166 179.777 177.584 0.045 0.000 1.181 224 A CA 1.178 53.236 52.037 0.035 0.000 0.623 224 A CB -0.606 18.409 19.000 0.024 0.000 0.818 224 A HN 0.257 nan 8.150 nan 0.000 0.443 225 L N -0.671 120.587 121.223 0.058 0.000 2.046 225 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 225 L C 2.236 179.169 176.870 0.104 0.000 1.077 225 L CA 2.072 56.948 54.840 0.059 0.000 0.747 225 L CB -0.646 41.455 42.059 0.070 0.000 0.896 225 L HN 0.352 nan 8.230 nan 0.000 0.432 226 L N -0.009 121.314 121.223 0.167 0.000 2.012 226 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 226 L C 2.601 179.547 176.870 0.127 0.000 1.073 226 L CA 2.302 57.262 54.840 0.200 0.000 0.748 226 L CB -0.855 41.262 42.059 0.097 0.000 0.891 226 L HN 0.421 nan 8.230 nan 0.000 0.431 227 K N -1.006 119.447 120.400 0.089 0.000 2.057 227 K HA -0.216 4.103 4.320 -0.001 0.000 0.207 227 K C 2.158 178.798 176.600 0.067 0.000 1.049 227 K CA 1.791 58.124 56.287 0.077 0.000 0.931 227 K CB -0.322 32.211 32.500 0.055 0.000 0.714 227 K HN 0.328 nan 8.250 nan 0.000 0.440 228 L N 0.940 122.189 121.223 0.043 0.000 1.994 228 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 228 L C 2.233 179.120 176.870 0.028 0.000 1.071 228 L CA 2.178 57.033 54.840 0.026 0.000 0.745 228 L CB -0.819 41.247 42.059 0.011 0.000 0.892 228 L HN 0.224 nan 8.230 nan 0.000 0.431 229 A N -0.847 121.965 122.820 -0.013 0.000 1.902 229 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 229 A C 2.175 179.753 177.584 -0.009 0.000 1.181 229 A CA 1.898 53.885 52.037 -0.082 0.000 0.623 229 A CB -0.661 18.159 19.000 -0.300 0.000 0.818 229 A HN 0.643 nan 8.150 nan 0.000 0.443 230 E N -1.094 119.134 120.200 0.046 0.000 2.107 230 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 230 E C 2.035 178.767 176.600 0.220 0.000 0.982 230 E CA 1.140 57.626 56.400 0.143 0.000 0.809 230 E CB -0.233 29.599 29.700 0.221 0.000 0.756 230 E HN 0.753 nan 8.360 nan 0.000 0.459 231 M N 1.077 120.783 119.600 0.178 0.000 2.132 231 M HA -0.144 4.335 4.480 -0.001 0.000 0.263 231 M C 2.203 178.690 176.300 0.311 0.000 1.065 231 M CA 1.483 56.920 55.300 0.228 0.000 1.122 231 M CB 0.153 32.848 32.600 0.158 0.000 1.365 231 M HN 0.099 nan 8.290 nan 0.000 0.411 232 V N -2.546 117.516 119.914 0.246 0.000 3.052 232 V HA 0.353 4.473 4.120 -0.001 0.000 0.254 232 V C 1.202 177.417 176.094 0.202 0.000 1.100 232 V CA 0.516 62.982 62.300 0.276 0.000 1.112 232 V CB -1.275 30.670 31.823 0.203 0.000 0.738 232 V HN 0.669 nan 8.190 nan 0.000 0.469 233 G N 0.607 109.518 108.800 0.184 0.000 2.353 233 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.294 233 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.294 233 G C -0.329 174.671 174.900 0.167 0.000 1.077 233 G CA 0.211 45.435 45.100 0.206 0.000 1.098 233 G HN 0.908 nan 8.290 nan 0.000 0.511 234 V N 2.108 122.077 119.914 0.091 0.000 2.540 234 V HA 0.598 4.717 4.120 -0.001 0.000 0.302 234 V C -1.510 174.570 176.094 -0.023 0.000 1.035 234 V CA -1.689 60.646 62.300 0.059 0.000 0.873 234 V CB 2.295 34.153 31.823 0.058 0.000 0.992 234 V HN 0.334 nan 8.190 nan 0.000 0.428 235 P HA 0.176 nan 4.420 nan 0.000 0.269 235 P C -0.859 176.334 177.300 -0.179 0.000 1.215 235 P CA 0.028 63.099 63.100 -0.048 0.000 0.780 235 P CB 1.073 32.792 31.700 0.031 0.000 0.898 236 V N 3.047 122.786 119.914 -0.292 0.000 2.448 236 V HA 0.279 4.399 4.120 -0.001 0.000 0.295 236 V C 0.419 176.362 176.094 -0.252 0.000 1.025 236 V CA -0.649 61.408 62.300 -0.406 0.000 0.859 236 V CB 1.955 33.231 31.823 -0.912 0.000 0.988 236 V HN 0.274 nan 8.190 nan 0.000 0.431 237 V N 4.125 123.902 119.914 -0.228 0.000 2.667 237 V HA 0.736 4.856 4.120 -0.001 0.000 0.308 237 V C 0.359 176.316 176.094 -0.229 0.000 1.048 237 V CA -0.314 61.852 62.300 -0.224 0.000 0.928 237 V CB 2.440 34.137 31.823 -0.209 0.000 1.004 237 V HN 1.040 nan 8.190 nan 0.000 0.444 238 T N -0.613 113.789 114.554 -0.253 0.000 2.926 238 T HA 0.663 5.013 4.350 -0.001 0.000 0.289 238 T C 0.020 174.584 174.700 -0.227 0.000 1.054 238 T CA -0.312 61.655 62.100 -0.222 0.000 1.015 238 T CB 1.762 70.501 68.868 -0.215 0.000 1.167 238 T HN 0.828 nan 8.240 nan 0.000 0.526 239 T N -1.043 113.404 114.554 -0.179 0.000 2.824 239 T HA 0.344 4.694 4.350 -0.001 0.000 0.277 239 T C 1.366 175.945 174.700 -0.201 0.000 0.975 239 T CA -0.383 61.619 62.100 -0.163 0.000 0.966 239 T CB 0.475 69.284 68.868 -0.098 0.000 1.054 239 T HN 0.501 nan 8.240 nan 0.000 0.533 240 S N 0.320 115.893 115.700 -0.211 0.000 2.423 240 S HA -0.063 4.406 4.470 -0.001 0.000 0.231 240 S C 2.216 176.682 174.600 -0.224 0.000 1.014 240 S CA 1.384 59.376 58.200 -0.346 0.000 0.965 240 S CB -0.756 62.164 63.200 -0.467 0.000 0.785 240 S HN 0.985 nan 8.310 nan 0.000 0.495 241 T N -1.024 113.482 114.554 -0.080 0.000 3.067 241 T HA 0.142 4.492 4.350 -0.001 0.000 0.261 241 T C 1.781 176.498 174.700 0.027 0.000 1.110 241 T CA 0.846 62.974 62.100 0.046 0.000 1.113 241 T CB -0.195 68.753 68.868 0.133 0.000 0.917 241 T HN 0.343 nan 8.240 nan 0.000 0.499 242 G N 1.220 109.994 108.800 -0.043 0.000 2.603 242 G HA2 0.441 4.401 3.960 -0.001 0.000 0.214 242 G HA3 0.441 4.401 3.960 -0.001 0.000 0.214 242 G C 0.749 175.605 174.900 -0.072 0.000 1.140 242 G CA 0.019 45.089 45.100 -0.049 0.000 0.800 242 G HN 0.813 nan 8.290 nan 0.000 0.533 243 A N -0.128 122.614 122.820 -0.130 0.000 2.584 243 A HA 0.445 4.764 4.320 -0.001 0.000 0.239 243 A C 1.738 179.281 177.584 -0.068 0.000 1.043 243 A CA 1.216 53.160 52.037 -0.155 0.000 0.756 243 A CB -0.400 18.458 19.000 -0.237 0.000 0.963 243 A HN 1.698 nan 8.150 nan 0.000 0.511 244 G N 0.358 109.134 108.800 -0.040 0.000 2.213 244 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.236 244 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.236 244 G C 1.041 175.949 174.900 0.014 0.000 0.991 244 G CA 0.678 45.778 45.100 0.000 0.000 0.629 244 G HN 2.172 nan 8.290 nan 0.000 0.517 245 V N -2.537 117.390 119.914 0.022 0.000 2.970 245 V HA 0.523 4.643 4.120 -0.001 0.000 0.260 245 V C 1.044 177.206 176.094 0.113 0.000 1.100 245 V CA 1.478 63.806 62.300 0.046 0.000 1.122 245 V CB -0.362 31.482 31.823 0.034 0.000 0.721 245 V HN 0.732 nan 8.190 nan 0.000 0.483 246 F N 1.931 121.842 119.950 -0.066 0.000 2.493 246 F HA 0.736 5.262 4.527 -0.001 0.000 0.329 246 F C -2.698 173.080 175.800 -0.037 0.000 1.126 246 F CA -3.055 54.900 58.000 -0.075 0.000 0.937 246 F CB 2.029 40.959 39.000 -0.117 0.000 1.146 246 F HN -0.093 nan 8.300 nan 0.000 0.442 247 P HA 0.057 nan 4.420 nan 0.000 0.267 247 P C -0.355 176.866 177.300 -0.132 0.000 1.209 247 P CA 0.361 63.312 63.100 -0.248 0.000 0.763 247 P CB 0.592 32.149 31.700 -0.238 0.000 0.816 248 E N 0.955 121.179 120.200 0.040 0.000 2.502 248 E HA -0.051 4.299 4.350 -0.001 0.000 0.194 248 E C 0.933 177.684 176.600 0.253 0.000 1.062 248 E CA 0.645 57.149 56.400 0.172 0.000 0.867 248 E CB -0.134 29.701 29.700 0.225 0.000 0.888 248 E HN 0.571 nan 8.360 nan 0.000 0.510 249 T N -2.092 112.558 114.554 0.161 0.000 3.081 249 T HA -0.036 4.314 4.350 -0.001 0.000 0.250 249 T C 0.808 175.596 174.700 0.147 0.000 1.100 249 T CA -0.189 62.002 62.100 0.152 0.000 1.038 249 T CB 0.013 68.938 68.868 0.095 0.000 0.962 249 T HN 0.094 nan 8.240 nan 0.000 0.516 250 H N 1.126 120.210 119.070 0.024 0.000 2.790 250 H HA 0.473 5.028 4.556 -0.001 0.000 0.358 250 H C 1.569 177.002 175.328 0.176 0.000 1.103 250 H CA 0.401 56.469 56.048 0.033 0.000 1.426 250 H CB 1.336 30.972 29.762 -0.210 0.000 1.424 250 H HN 0.193 nan 8.280 nan 0.000 0.599 251 A N 5.059 127.985 122.820 0.176 0.000 2.024 251 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 251 A C 2.446 180.298 177.584 0.446 0.000 1.164 251 A CA 1.161 53.406 52.037 0.346 0.000 0.643 251 A CB -0.351 18.954 19.000 0.510 0.000 0.806 251 A HN 0.730 nan 8.150 nan 0.000 0.451 252 L N -0.779 120.853 121.223 0.683 0.000 2.591 252 L HA 0.181 4.520 4.340 -0.001 0.000 0.228 252 L C 1.169 178.239 176.870 0.334 0.000 1.133 252 L CA -0.056 55.032 54.840 0.413 0.000 0.880 252 L CB -0.174 42.018 42.059 0.221 0.000 1.033 252 L HN 0.356 nan 8.230 nan 0.000 0.450 253 A N 0.294 123.405 122.820 0.486 0.000 2.347 253 A HA 0.309 4.629 4.320 -0.001 0.000 0.287 253 A C 1.032 178.761 177.584 0.242 0.000 1.199 253 A CA -0.203 52.067 52.037 0.389 0.000 0.851 253 A CB 0.337 19.586 19.000 0.415 0.000 1.118 253 A HN 0.148 nan 8.150 nan 0.000 0.525 254 M N 2.134 121.793 119.600 0.099 0.000 2.502 254 M HA 0.188 4.668 4.480 -0.001 0.000 0.243 254 M C 1.176 177.448 176.300 -0.046 0.000 1.130 254 M CA 1.117 56.465 55.300 0.079 0.000 1.055 254 M CB -1.322 31.280 32.600 0.003 0.000 1.457 254 M HN 1.228 nan 8.290 nan 0.000 0.488 255 G N 0.583 109.176 108.800 -0.344 0.000 2.615 255 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.218 255 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.218 255 G C -0.658 173.787 174.900 -0.759 0.000 1.339 255 G CA -0.548 43.895 45.100 -1.095 0.000 0.884 255 G HN 0.342 nan 8.290 nan 0.000 0.559 256 S N 0.415 115.553 115.700 -0.936 0.000 2.499 256 S HA 0.702 5.172 4.470 -0.001 0.000 0.279 256 S C 0.828 175.199 174.600 -0.382 0.000 1.219 256 S CA 0.345 58.219 58.200 -0.543 0.000 1.062 256 S CB 1.347 64.247 63.200 -0.501 0.000 0.978 256 S HN 1.742 nan 8.310 nan 0.000 0.489 257 A N 2.447 125.096 122.820 -0.286 0.000 2.332 257 A HA 0.850 5.170 4.320 -0.001 0.000 0.258 257 A C 0.871 178.357 177.584 -0.163 0.000 1.087 257 A CA 0.309 52.212 52.037 -0.223 0.000 0.802 257 A CB -0.297 18.574 19.000 -0.216 0.000 1.042 257 A HN 1.548 nan 8.150 nan 0.000 0.489 258 G N -1.244 107.485 108.800 -0.117 0.000 2.353 258 G HA2 0.198 4.158 3.960 -0.001 0.000 0.615 258 G HA3 0.198 4.158 3.960 -0.001 0.000 0.615 258 G C 0.093 174.999 174.900 0.009 0.000 1.280 258 G CA 0.086 45.168 45.100 -0.031 0.000 1.000 258 G HN 1.897 nan 8.290 nan 0.000 0.516 259 F N -1.417 118.473 119.950 -0.100 0.000 2.558 259 F HA 0.356 4.882 4.527 -0.001 0.000 0.298 259 F C 1.765 177.523 175.800 -0.070 0.000 1.119 259 F CA 1.146 59.074 58.000 -0.119 0.000 1.451 259 F CB -0.007 38.879 39.000 -0.190 0.000 1.091 259 F HN 0.369 nan 8.300 nan 0.000 0.563 260 C N 1.723 120.729 119.300 -0.490 0.000 2.881 260 C HA 0.576 5.035 4.460 -0.001 0.000 0.290 260 C C 1.666 176.706 174.990 0.083 0.000 1.362 260 C CA -0.283 58.561 59.018 -0.291 0.000 1.757 260 C CB -1.289 26.136 27.740 -0.524 0.000 2.265 260 C HN 0.657 nan 8.230 nan 0.000 0.600 261 G N -0.730 108.088 108.800 0.031 0.000 2.543 261 G HA2 0.455 4.414 3.960 -0.001 0.000 0.267 261 G HA3 0.455 4.414 3.960 -0.001 0.000 0.267 261 G C -1.099 173.828 174.900 0.044 0.000 1.406 261 G CA -0.186 44.950 45.100 0.059 0.000 1.048 261 G HN 0.351 nan 8.290 nan 0.000 0.548 262 W N -0.081 120.887 121.300 -0.553 0.000 2.417 262 W HA 0.532 5.192 4.660 -0.001 0.000 0.317 262 W C 1.254 177.068 176.519 -1.174 0.000 1.121 262 W CA -1.462 55.070 57.345 -1.355 0.000 1.208 262 W CB 1.602 30.337 29.460 -1.207 0.000 1.253 262 W HN 0.590 nan 8.180 nan 0.000 0.533 263 K N 1.134 120.808 120.400 -1.210 0.000 2.209 263 K HA -0.184 4.135 4.320 -0.001 0.000 0.204 263 K C 1.849 178.235 176.600 -0.357 0.000 1.048 263 K CA 1.882 57.875 56.287 -0.491 0.000 0.940 263 K CB 0.101 32.477 32.500 -0.206 0.000 0.729 263 K HN 0.477 nan 8.250 nan 0.000 0.451 264 S N 0.312 115.815 115.700 -0.327 0.000 2.383 264 S HA -0.163 4.307 4.470 -0.001 0.000 0.229 264 S C 2.168 176.654 174.600 -0.189 0.000 1.030 264 S CA 1.002 59.132 58.200 -0.116 0.000 1.002 264 S CB -0.393 62.875 63.200 0.114 0.000 0.829 264 S HN 0.387 nan 8.310 nan 0.000 0.467 265 A N 2.963 125.646 122.820 -0.228 0.000 1.897 265 A HA -0.054 4.266 4.320 -0.001 0.000 0.215 265 A C 2.164 179.595 177.584 -0.256 0.000 1.181 265 A CA 1.376 53.277 52.037 -0.227 0.000 0.620 265 A CB -0.722 18.116 19.000 -0.270 0.000 0.821 265 A HN 0.522 nan 8.150 nan 0.000 0.443 266 N N 0.671 119.202 118.700 -0.282 0.000 2.142 266 N HA -0.129 4.611 4.740 -0.001 0.000 0.186 266 N C 1.061 176.379 175.510 -0.320 0.000 1.023 266 N CA 1.514 54.406 53.050 -0.263 0.000 0.852 266 N CB -0.456 37.893 38.487 -0.230 0.000 0.998 266 N HN 0.417 nan 8.380 nan 0.000 0.424 267 D N 0.719 120.847 120.400 -0.453 0.000 2.104 267 D HA -0.138 4.502 4.640 -0.001 0.000 0.194 267 D C 1.909 177.744 176.300 -0.776 0.000 0.994 267 D CA 0.807 54.350 54.000 -0.761 0.000 0.830 267 D CB -0.181 39.822 40.800 -1.328 0.000 0.959 267 D HN 0.137 nan 8.370 nan 0.000 0.452 268 M N -0.094 119.182 119.600 -0.539 0.000 2.132 268 M HA -0.072 4.407 4.480 -0.001 0.000 0.263 268 M C 1.800 178.039 176.300 -0.101 0.000 1.065 268 M CA 1.109 56.336 55.300 -0.123 0.000 1.122 268 M CB -0.164 32.450 32.600 0.024 0.000 1.365 268 M HN -0.117 nan 8.290 nan 0.000 0.411 269 M N -0.515 118.984 119.600 -0.168 0.000 2.159 269 M HA -0.066 4.413 4.480 -0.001 0.000 0.263 269 M C 2.202 178.426 176.300 -0.126 0.000 1.063 269 M CA 1.698 56.905 55.300 -0.155 0.000 1.110 269 M CB -1.698 30.786 32.600 -0.193 0.000 1.374 269 M HN 0.438 nan 8.290 nan 0.000 0.411 270 A N -0.355 122.378 122.820 -0.144 0.000 2.014 270 A HA 0.151 4.471 4.320 -0.001 0.000 0.218 270 A C 2.300 179.860 177.584 -0.040 0.000 1.163 270 A CA 1.623 53.599 52.037 -0.101 0.000 0.652 270 A CB -0.543 18.380 19.000 -0.129 0.000 0.808 270 A HN 0.467 nan 8.150 nan 0.000 0.449 271 A N -0.487 122.327 122.820 -0.009 0.000 2.081 271 A HA 0.597 4.917 4.320 -0.001 0.000 0.214 271 A C 1.447 179.081 177.584 0.083 0.000 1.158 271 A CA 0.723 52.814 52.037 0.090 0.000 0.724 271 A CB -0.689 18.465 19.000 0.255 0.000 0.826 271 A HN 0.917 nan 8.150 nan 0.000 0.463 272 A N 1.140 123.992 122.820 0.053 0.000 2.462 272 A HA 0.367 4.687 4.320 -0.001 0.000 0.243 272 A C 0.648 178.273 177.584 0.068 0.000 1.076 272 A CA 0.387 52.460 52.037 0.059 0.000 0.773 272 A CB 0.170 19.177 19.000 0.011 0.000 1.010 272 A HN 0.465 nan 8.150 nan 0.000 0.493 273 D N -0.280 120.186 120.400 0.110 0.000 2.369 273 D HA 0.209 4.849 4.640 -0.001 0.000 0.211 273 D C -0.305 176.132 176.300 0.227 0.000 1.077 273 D CA 0.100 54.182 54.000 0.137 0.000 0.842 273 D CB 0.082 40.958 40.800 0.127 0.000 0.947 273 D HN 0.282 nan 8.370 nan 0.000 0.509 274 F N 0.388 120.369 119.950 0.052 0.000 2.654 274 F HA 0.444 4.970 4.527 -0.001 0.000 0.314 274 F C -2.194 173.639 175.800 0.055 0.000 1.116 274 F CA -1.046 56.994 58.000 0.067 0.000 1.017 274 F CB 1.541 40.581 39.000 0.066 0.000 1.285 274 F HN -0.253 nan 8.300 nan 0.000 0.448 275 V N 6.008 125.349 119.914 -0.956 0.000 2.656 275 V HA 0.506 4.626 4.120 -0.001 0.000 0.307 275 V C -1.138 174.383 176.094 -0.955 0.000 1.051 275 V CA -0.806 61.060 62.300 -0.723 0.000 0.893 275 V CB 1.749 33.330 31.823 -0.403 0.000 0.999 275 V HN 0.712 nan 8.190 nan 0.000 0.426 276 L N 6.255 127.176 121.223 -0.502 0.000 2.259 276 L HA 0.576 4.916 4.340 -0.001 0.000 0.288 276 L C -0.387 176.411 176.870 -0.120 0.000 1.051 276 L CA 0.189 54.926 54.840 -0.173 0.000 0.824 276 L CB 1.206 43.318 42.059 0.088 0.000 1.206 276 L HN 0.470 nan 8.230 nan 0.000 0.429 277 V N 6.985 126.850 119.914 -0.081 0.000 2.383 277 V HA 0.386 4.505 4.120 -0.001 0.000 0.275 277 V C 0.069 176.161 176.094 -0.003 0.000 1.036 277 V CA -0.394 61.844 62.300 -0.103 0.000 0.889 277 V CB 1.177 32.860 31.823 -0.233 0.000 0.985 277 V HN 0.567 nan 8.190 nan 0.000 0.459 278 L N 4.265 125.476 121.223 -0.021 0.000 2.343 278 L HA 0.659 4.998 4.340 -0.001 0.000 0.278 278 L C 0.968 177.848 176.870 0.018 0.000 0.996 278 L CA -0.563 54.276 54.840 -0.001 0.000 0.831 278 L CB 1.610 43.668 42.059 -0.001 0.000 1.232 278 L HN 0.857 nan 8.230 nan 0.000 0.413 279 G N 1.905 110.735 108.800 0.050 0.000 2.295 279 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.287 279 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.287 279 G C -0.027 174.910 174.900 0.062 0.000 1.055 279 G CA 0.713 45.847 45.100 0.056 0.000 0.922 279 G HN 0.616 nan 8.290 nan 0.000 0.503 280 S N -1.124 114.639 115.700 0.105 0.000 2.526 280 S HA 0.688 5.157 4.470 -0.001 0.000 0.293 280 S C 1.218 175.933 174.600 0.192 0.000 1.092 280 S CA -0.067 58.182 58.200 0.082 0.000 0.980 280 S CB 0.949 64.131 63.200 -0.030 0.000 1.048 280 S HN 0.777 nan 8.310 nan 0.000 0.483 281 R N 3.458 124.041 120.500 0.139 0.000 2.359 281 R HA 0.346 4.686 4.340 -0.001 0.000 0.231 281 R C 0.039 176.442 176.300 0.172 0.000 0.913 281 R CA -0.078 56.133 56.100 0.185 0.000 1.075 281 R CB -0.817 29.567 30.300 0.140 0.000 1.087 281 R HN 0.684 nan 8.270 nan 0.000 0.515 282 L N 2.842 124.106 121.223 0.069 0.000 3.713 282 L HA -0.238 4.102 4.340 -0.001 0.000 0.499 282 L C 0.024 176.930 176.870 0.060 0.000 1.281 282 L CA 0.689 55.534 54.840 0.009 0.000 0.796 282 L CB -1.960 40.113 42.059 0.023 0.000 1.535 282 L HN 0.555 nan 8.230 nan 0.000 0.851 283 S N -2.412 113.297 115.700 0.014 0.000 2.669 283 S HA 0.299 4.769 4.470 -0.001 0.000 0.270 283 S C 0.978 175.500 174.600 -0.130 0.000 1.225 283 S CA -0.155 58.040 58.200 -0.008 0.000 0.991 283 S CB 2.287 65.511 63.200 0.040 0.000 0.987 283 S HN 0.406 nan 8.310 nan 0.000 0.552 284 D N 0.440 120.714 120.400 -0.211 0.000 2.103 284 D HA -0.154 4.486 4.640 -0.001 0.000 0.190 284 D C 0.731 177.096 176.300 0.108 0.000 0.997 284 D CA 1.594 55.407 54.000 -0.312 0.000 0.833 284 D CB -0.235 40.494 40.800 -0.118 0.000 0.961 284 D HN 0.744 nan 8.370 nan 0.000 0.447 285 W N 0.788 122.047 121.300 -0.070 0.000 3.353 285 W HA 0.443 5.103 4.660 -0.001 0.000 0.304 285 W C 1.337 177.945 176.519 0.148 0.000 1.273 285 W CA 0.008 57.409 57.345 0.093 0.000 1.773 285 W CB -0.437 29.143 29.460 0.200 0.000 1.095 285 W HN -0.002 nan 8.180 nan 0.000 0.676 286 G N -0.264 108.659 108.800 0.205 0.000 3.392 286 G HA2 0.162 4.121 3.960 -0.001 0.000 0.188 286 G HA3 0.162 4.121 3.960 -0.001 0.000 0.188 286 G C 0.926 175.828 174.900 0.003 0.000 1.485 286 G CA -0.208 44.947 45.100 0.092 0.000 0.943 286 G HN -0.189 nan 8.290 nan 0.000 0.627 287 I N 1.689 122.213 120.570 -0.076 0.000 2.361 287 I HA -0.115 4.054 4.170 -0.001 0.000 0.251 287 I C 3.118 179.136 176.117 -0.165 0.000 1.133 287 I CA 1.474 62.680 61.300 -0.156 0.000 1.413 287 I CB -1.405 36.446 38.000 -0.249 0.000 1.073 287 I HN 0.356 nan 8.210 nan 0.000 0.424 288 A N -0.161 122.577 122.820 -0.137 0.000 2.015 288 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 288 A C 1.230 178.725 177.584 -0.147 0.000 1.163 288 A CA 0.373 52.343 52.037 -0.112 0.000 0.646 288 A CB -0.490 18.300 19.000 -0.349 0.000 0.806 288 A HN 0.605 nan 8.150 nan 0.000 0.448 289 Q N -2.215 117.504 119.800 -0.135 0.000 2.443 289 Q HA -0.206 4.133 4.340 -0.001 0.000 0.337 289 Q C 0.702 176.596 176.000 -0.177 0.000 1.401 289 Q CA 0.425 56.145 55.803 -0.138 0.000 0.943 289 Q CB -2.344 26.334 28.738 -0.100 0.000 1.177 289 Q HN 1.688 nan 8.270 nan 0.000 0.394 290 G N -0.468 108.209 108.800 -0.204 0.000 2.160 290 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.251 290 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.251 290 G C -0.041 174.841 174.900 -0.030 0.000 1.008 290 G CA 0.210 45.251 45.100 -0.099 0.000 0.724 290 G HN 0.730 nan 8.290 nan 0.000 0.514 291 Y N -3.345 116.879 120.300 -0.127 0.000 4.272 291 Y HA -0.255 4.295 4.550 -0.001 0.000 0.232 291 Y C 1.882 177.782 175.900 0.000 0.000 1.149 291 Y CA 1.037 58.991 58.100 -0.243 0.000 1.961 291 Y CB -2.078 36.023 38.460 -0.598 0.000 1.611 291 Y HN 0.455 nan 8.280 nan 0.000 0.682 292 I N -1.840 118.788 120.570 0.098 0.000 3.339 292 I HA -0.011 4.159 4.170 -0.001 0.000 0.285 292 I C 1.251 177.437 176.117 0.116 0.000 1.201 292 I CA 0.448 61.805 61.300 0.094 0.000 1.434 292 I CB 0.168 38.179 38.000 0.019 0.000 1.152 292 I HN 0.068 nan 8.210 nan 0.000 0.443 293 T N 3.963 118.582 114.554 0.107 0.000 2.934 293 T HA 0.025 4.375 4.350 -0.001 0.000 0.306 293 T C 0.239 175.021 174.700 0.138 0.000 1.042 293 T CA 0.075 62.206 62.100 0.052 0.000 1.145 293 T CB 0.232 69.065 68.868 -0.058 0.000 0.982 293 T HN -0.004 nan 8.240 nan 0.000 0.544 294 K N 4.289 124.722 120.400 0.054 0.000 2.267 294 K HA 0.306 4.626 4.320 -0.001 0.000 0.282 294 K C -0.014 176.568 176.600 -0.029 0.000 1.078 294 K CA -0.421 55.910 56.287 0.073 0.000 0.903 294 K CB 0.860 33.389 32.500 0.047 0.000 1.111 294 K HN 0.477 nan 8.250 nan 0.000 0.475 295 M N 3.853 123.423 119.600 -0.051 0.000 2.211 295 M HA 0.254 4.734 4.480 -0.001 0.000 0.356 295 M C -1.845 174.448 176.300 -0.012 0.000 1.216 295 M CA -2.161 53.025 55.300 -0.190 0.000 1.134 295 M CB -0.009 32.331 32.600 -0.433 0.000 1.564 295 M HN 0.229 nan 8.290 nan 0.000 0.463 296 P HA 0.105 nan 4.420 nan 0.000 0.271 296 P C -0.857 176.550 177.300 0.178 0.000 1.244 296 P CA -0.489 62.645 63.100 0.055 0.000 0.793 296 P CB 0.226 31.930 31.700 0.007 0.000 0.984 297 K N 1.214 121.735 120.400 0.203 0.000 2.524 297 K HA 0.207 4.527 4.320 -0.001 0.000 0.279 297 K C -0.636 176.124 176.600 0.267 0.000 0.993 297 K CA 0.215 56.654 56.287 0.253 0.000 1.030 297 K CB -0.449 32.192 32.500 0.235 0.000 0.891 297 K HN 0.465 nan 8.250 nan 0.000 0.488 298 F N -1.016 118.939 119.950 0.009 0.000 2.619 298 F HA 0.488 5.014 4.527 -0.001 0.000 0.308 298 F C -1.572 174.230 175.800 0.003 0.000 1.097 298 F CA -1.482 56.412 58.000 -0.177 0.000 0.953 298 F CB 0.942 39.785 39.000 -0.263 0.000 1.287 298 F HN 0.154 nan 8.300 nan 0.000 0.446 299 V N 2.430 122.377 119.914 0.056 0.000 2.481 299 V HA 0.337 4.457 4.120 -0.001 0.000 0.286 299 V C -0.808 175.376 176.094 0.151 0.000 1.042 299 V CA -0.372 61.981 62.300 0.089 0.000 0.928 299 V CB 1.246 33.214 31.823 0.243 0.000 0.986 299 V HN 0.977 nan 8.190 nan 0.000 0.462 300 H N 3.209 122.269 119.070 -0.017 0.000 2.727 300 H HA 0.661 5.217 4.556 -0.001 0.000 0.330 300 H C -1.444 173.833 175.328 -0.086 0.000 0.986 300 H CA -0.686 55.398 56.048 0.059 0.000 1.251 300 H CB 1.742 31.619 29.762 0.192 0.000 1.493 300 H HN 0.479 nan 8.280 nan 0.000 0.515 301 V N 6.078 126.017 119.914 0.041 0.000 2.409 301 V HA 0.288 4.407 4.120 -0.001 0.000 0.291 301 V C -0.226 175.799 176.094 -0.114 0.000 1.020 301 V CA -0.528 61.642 62.300 -0.216 0.000 0.848 301 V CB 1.459 32.963 31.823 -0.532 0.000 0.990 301 V HN 0.832 nan 8.190 nan 0.000 0.430 302 D N 2.059 122.369 120.400 -0.150 0.000 2.609 302 D HA 0.230 4.870 4.640 -0.001 0.000 0.239 302 D C 0.729 176.981 176.300 -0.079 0.000 1.229 302 D CA 0.016 53.962 54.000 -0.091 0.000 0.808 302 D CB 3.005 43.725 40.800 -0.133 0.000 1.448 302 D HN 0.556 nan 8.370 nan 0.000 0.433 303 T N -1.551 112.982 114.554 -0.035 0.000 3.067 303 T HA 0.025 4.375 4.350 -0.001 0.000 0.261 303 T C 0.481 175.164 174.700 -0.028 0.000 1.110 303 T CA 0.254 62.313 62.100 -0.069 0.000 1.113 303 T CB 0.193 68.963 68.868 -0.164 0.000 0.917 303 T HN 0.177 nan 8.240 nan 0.000 0.499 304 D N 2.152 122.559 120.400 0.012 0.000 2.460 304 D HA 0.340 4.980 4.640 -0.001 0.000 0.232 304 D C -1.994 174.296 176.300 -0.016 0.000 1.079 304 D CA -2.793 51.223 54.000 0.027 0.000 0.864 304 D CB 1.928 42.769 40.800 0.069 0.000 1.048 304 D HN -0.060 nan 8.370 nan 0.000 0.523 305 P HA -0.083 nan 4.420 nan 0.000 0.221 305 P C 1.042 178.328 177.300 -0.023 0.000 1.145 305 P CA 0.805 63.881 63.100 -0.040 0.000 0.795 305 P CB 0.227 31.909 31.700 -0.031 0.000 0.775 306 A N -0.072 122.751 122.820 0.005 0.000 2.019 306 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 306 A C 2.166 179.779 177.584 0.049 0.000 1.164 306 A CA 1.960 54.013 52.037 0.027 0.000 0.644 306 A CB -1.619 17.404 19.000 0.039 0.000 0.805 306 A HN 0.249 nan 8.150 nan 0.000 0.449 307 V N -2.472 117.465 119.914 0.039 0.000 3.129 307 V HA 0.240 4.359 4.120 -0.001 0.000 0.259 307 V C 0.797 176.936 176.094 0.075 0.000 1.116 307 V CA 0.324 62.676 62.300 0.087 0.000 1.127 307 V CB -0.807 31.075 31.823 0.098 0.000 0.742 307 V HN 0.319 nan 8.190 nan 0.000 0.474 308 L N 2.838 124.029 121.223 -0.054 0.000 2.342 308 L HA 0.628 4.968 4.340 -0.001 0.000 0.285 308 L C 1.392 178.288 176.870 0.044 0.000 1.095 308 L CA 0.596 55.374 54.840 -0.105 0.000 0.843 308 L CB 0.157 42.098 42.059 -0.196 0.000 1.201 308 L HN 0.518 nan 8.230 nan 0.000 0.445 309 G N 1.609 110.529 108.800 0.200 0.000 2.143 309 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.249 309 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.249 309 G C 0.865 175.891 174.900 0.209 0.000 0.981 309 G CA 0.607 45.801 45.100 0.156 0.000 0.665 309 G HN 0.612 nan 8.290 nan 0.000 0.528 310 T N -1.874 112.841 114.554 0.268 0.000 2.821 310 T HA 0.194 4.543 4.350 -0.001 0.000 0.267 310 T C 1.636 176.558 174.700 0.371 0.000 1.046 310 T CA 2.260 64.520 62.100 0.267 0.000 1.139 310 T CB -0.058 68.948 68.868 0.231 0.000 0.871 310 T HN 0.751 nan 8.240 nan 0.000 0.454 311 F N -1.260 118.860 119.950 0.283 0.000 2.334 311 F HA 0.419 4.946 4.527 -0.001 0.000 0.269 311 F C -0.683 175.110 175.800 -0.011 0.000 0.879 311 F CA -0.845 57.211 58.000 0.093 0.000 1.102 311 F CB 0.766 39.782 39.000 0.027 0.000 1.032 311 F HN -0.056 nan 8.300 nan 0.000 0.782 312 Y N 1.961 122.558 120.300 0.496 0.000 2.383 312 Y HA 0.325 4.874 4.550 -0.001 0.000 0.344 312 Y C -0.770 175.519 175.900 0.648 0.000 0.986 312 Y CA -0.883 57.489 58.100 0.453 0.000 1.175 312 Y CB 0.323 39.060 38.460 0.462 0.000 1.152 312 Y HN -0.165 nan 8.280 nan 0.000 0.511 313 F N 5.192 125.314 119.950 0.287 0.000 2.421 313 F HA 0.339 4.866 4.527 -0.001 0.000 0.358 313 F C -1.962 173.798 175.800 -0.066 0.000 1.115 313 F CA -3.788 54.274 58.000 0.104 0.000 1.160 313 F CB 0.215 39.225 39.000 0.018 0.000 1.123 313 F HN 0.337 nan 8.300 nan 0.000 0.508 314 P HA 0.131 nan 4.420 nan 0.000 0.276 314 P C 0.958 178.039 177.300 -0.364 0.000 1.244 314 P CA -0.559 62.020 63.100 -0.867 0.000 0.801 314 P CB 1.055 32.344 31.700 -0.685 0.000 1.006 315 L N 1.567 122.588 121.223 -0.336 0.000 2.042 315 L HA 0.027 4.367 4.340 -0.001 0.000 0.210 315 L C 0.372 177.196 176.870 -0.077 0.000 1.076 315 L CA 2.077 56.858 54.840 -0.099 0.000 0.749 315 L CB -0.462 41.604 42.059 0.012 0.000 0.893 315 L HN 0.307 nan 8.230 nan 0.000 0.432 316 L N -0.993 120.169 121.223 -0.101 0.000 2.505 316 L HA 0.510 4.850 4.340 -0.001 0.000 0.266 316 L C -0.970 175.860 176.870 -0.068 0.000 0.954 316 L CA -0.153 54.658 54.840 -0.048 0.000 0.852 316 L CB 1.915 43.987 42.059 0.022 0.000 1.282 316 L HN -0.116 nan 8.230 nan 0.000 0.403 317 S N 3.284 118.945 115.700 -0.065 0.000 2.475 317 S HA 0.904 5.373 4.470 -0.001 0.000 0.298 317 S C -1.000 173.558 174.600 -0.070 0.000 1.119 317 S CA -0.567 57.591 58.200 -0.071 0.000 1.085 317 S CB 1.812 64.960 63.200 -0.086 0.000 1.028 317 S HN 0.456 nan 8.310 nan 0.000 0.489 318 V N 3.066 122.917 119.914 -0.105 0.000 2.623 318 V HA 0.354 4.474 4.120 -0.001 0.000 0.304 318 V C -0.601 175.420 176.094 -0.121 0.000 1.054 318 V CA -0.806 61.433 62.300 -0.102 0.000 0.882 318 V CB 1.956 33.682 31.823 -0.163 0.000 1.002 318 V HN 0.670 nan 8.190 nan 0.000 0.424 319 V N 4.301 124.172 119.914 -0.072 0.000 2.353 319 V HA 0.830 4.949 4.120 -0.001 0.000 0.264 319 V C 0.454 176.524 176.094 -0.040 0.000 1.049 319 V CA 0.320 62.580 62.300 -0.067 0.000 0.896 319 V CB 0.611 32.405 31.823 -0.049 0.000 1.025 319 V HN 1.112 nan 8.190 nan 0.000 0.475 320 A N 3.744 126.528 122.820 -0.059 0.000 2.608 320 A HA 0.595 4.914 4.320 -0.001 0.000 0.292 320 A C -1.028 176.531 177.584 -0.042 0.000 1.066 320 A CA -0.791 51.234 52.037 -0.020 0.000 0.676 320 A CB 1.294 20.340 19.000 0.077 0.000 1.277 320 A HN 0.703 nan 8.150 nan 0.000 0.413 321 D N 1.023 121.398 120.400 -0.042 0.000 2.424 321 D HA 0.482 5.122 4.640 -0.001 0.000 0.244 321 D C 1.270 177.578 176.300 0.014 0.000 1.134 321 D CA 0.773 54.750 54.000 -0.038 0.000 0.881 321 D CB 1.375 42.134 40.800 -0.068 0.000 1.191 321 D HN 0.754 nan 8.370 nan 0.000 0.445 322 A N 4.668 127.502 122.820 0.023 0.000 1.858 322 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 322 A C 1.995 179.628 177.584 0.081 0.000 1.190 322 A CA 1.676 53.746 52.037 0.056 0.000 0.617 322 A CB -0.625 18.398 19.000 0.038 0.000 0.827 322 A HN 0.743 nan 8.150 nan 0.000 0.443 323 K N -0.914 119.509 120.400 0.040 0.000 2.032 323 K HA -0.170 4.149 4.320 -0.001 0.000 0.209 323 K C 2.058 178.663 176.600 0.007 0.000 1.048 323 K CA 2.039 58.342 56.287 0.025 0.000 0.927 323 K CB -0.448 32.058 32.500 0.010 0.000 0.712 323 K HN 0.458 nan 8.250 nan 0.000 0.441 324 T N 0.804 115.337 114.554 -0.034 0.000 2.684 324 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 324 T C 1.450 176.117 174.700 -0.056 0.000 1.036 324 T CA 1.560 63.583 62.100 -0.127 0.000 1.148 324 T CB -0.425 68.250 68.868 -0.321 0.000 0.863 324 T HN 0.301 nan 8.240 nan 0.000 0.436 325 F N 1.497 121.387 119.950 -0.100 0.000 2.134 325 F HA -0.060 4.467 4.527 -0.001 0.000 0.299 325 F C 2.281 178.063 175.800 -0.031 0.000 1.097 325 F CA 1.286 59.255 58.000 -0.053 0.000 1.264 325 F CB -0.387 38.596 39.000 -0.027 0.000 1.001 325 F HN 0.062 nan 8.300 nan 0.000 0.479 326 M N -0.133 119.530 119.600 0.105 0.000 2.117 326 M HA -0.233 4.247 4.480 -0.001 0.000 0.262 326 M C 2.031 178.281 176.300 -0.083 0.000 1.065 326 M CA 1.971 57.280 55.300 0.015 0.000 1.114 326 M CB -0.636 32.002 32.600 0.065 0.000 1.361 326 M HN 0.174 nan 8.290 nan 0.000 0.408 327 E N 0.158 120.317 120.200 -0.067 0.000 2.077 327 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 327 E C 2.072 178.605 176.600 -0.112 0.000 0.989 327 E CA 1.175 57.533 56.400 -0.069 0.000 0.800 327 E CB -0.156 29.520 29.700 -0.041 0.000 0.746 327 E HN 0.584 nan 8.360 nan 0.000 0.452 328 Q N 0.369 120.070 119.800 -0.166 0.000 2.124 328 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 328 Q C 2.336 178.176 176.000 -0.266 0.000 0.977 328 Q CA 0.969 56.652 55.803 -0.200 0.000 0.850 328 Q CB -0.076 28.514 28.738 -0.246 0.000 0.901 328 Q HN 0.318 nan 8.270 nan 0.000 0.429 329 L N 0.210 121.213 121.223 -0.367 0.000 2.056 329 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 329 L C 2.287 179.025 176.870 -0.219 0.000 1.078 329 L CA 0.914 55.563 54.840 -0.318 0.000 0.749 329 L CB -0.280 41.603 42.059 -0.294 0.000 0.901 329 L HN 0.259 nan 8.230 nan 0.000 0.433 330 I N -0.173 120.295 120.570 -0.169 0.000 2.194 330 I HA -0.346 3.824 4.170 -0.001 0.000 0.246 330 I C 2.536 178.562 176.117 -0.151 0.000 1.093 330 I CA 1.542 62.757 61.300 -0.141 0.000 1.355 330 I CB -0.190 37.762 38.000 -0.081 0.000 1.046 330 I HN 0.327 nan 8.210 nan 0.000 0.413 331 E N 0.506 120.628 120.200 -0.129 0.000 2.106 331 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 331 E C 2.148 178.672 176.600 -0.126 0.000 0.984 331 E CA 1.521 57.857 56.400 -0.106 0.000 0.806 331 E CB 0.155 29.809 29.700 -0.077 0.000 0.750 331 E HN 0.457 nan 8.360 nan 0.000 0.458 332 V N -1.337 118.484 119.914 -0.156 0.000 2.951 332 V HA -0.008 4.111 4.120 -0.001 0.000 0.255 332 V C 2.048 178.023 176.094 -0.197 0.000 1.088 332 V CA 0.707 62.919 62.300 -0.147 0.000 1.109 332 V CB -0.354 31.386 31.823 -0.138 0.000 0.724 332 V HN 0.196 nan 8.190 nan 0.000 0.471 333 L N 0.257 121.293 121.223 -0.310 0.000 2.046 333 L HA -0.018 4.322 4.340 -0.001 0.000 0.208 333 L C 0.203 176.721 176.870 -0.587 0.000 1.077 333 L CA 2.062 56.578 54.840 -0.541 0.000 0.747 333 L CB -1.599 39.962 42.059 -0.829 0.000 0.896 333 L HN 0.354 nan 8.230 nan 0.000 0.432 334 P HA -0.152 nan 4.420 nan 0.000 0.218 334 P C 1.113 178.439 177.300 0.042 0.000 1.146 334 P CA 1.624 64.681 63.100 -0.071 0.000 0.813 334 P CB -0.148 31.546 31.700 -0.010 0.000 0.778 335 G N -1.869 106.918 108.800 -0.023 0.000 3.284 335 G HA2 0.039 3.998 3.960 -0.001 0.000 0.236 335 G HA3 0.039 3.998 3.960 -0.001 0.000 0.236 335 G C 0.051 174.954 174.900 0.005 0.000 1.158 335 G CA 0.083 45.184 45.100 0.002 0.000 0.774 335 G HN 0.159 nan 8.290 nan 0.000 0.545 336 T N 1.331 115.891 114.554 0.011 0.000 2.806 336 T HA 0.361 4.710 4.350 -0.001 0.000 0.290 336 T C 0.532 175.281 174.700 0.083 0.000 0.966 336 T CA -0.170 61.947 62.100 0.027 0.000 1.060 336 T CB 1.427 70.293 68.868 -0.004 0.000 0.927 336 T HN 0.059 nan 8.240 nan 0.000 0.485 337 S N 2.445 118.176 115.700 0.051 0.000 2.575 337 S HA 0.326 4.795 4.470 -0.001 0.000 0.295 337 S C 1.622 176.262 174.600 0.066 0.000 1.267 337 S CA 0.819 59.048 58.200 0.050 0.000 1.074 337 S CB -0.043 63.173 63.200 0.026 0.000 0.829 337 S HN 1.161 nan 8.310 nan 0.000 0.497 338 G N 2.821 111.659 108.800 0.063 0.000 2.225 338 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.254 338 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.254 338 G C 0.038 174.977 174.900 0.065 0.000 0.988 338 G CA -0.021 45.108 45.100 0.048 0.000 0.625 338 G HN 0.683 nan 8.290 nan 0.000 0.527 339 F N 2.612 122.559 119.950 -0.004 0.000 2.495 339 F HA 0.621 5.147 4.527 -0.001 0.000 0.365 339 F C 0.280 176.082 175.800 0.003 0.000 1.090 339 F CA -0.217 57.783 58.000 0.000 0.000 1.235 339 F CB 0.672 39.672 39.000 -0.001 0.000 1.119 339 F HN -0.097 nan 8.300 nan 0.000 0.562 340 K N 5.142 124.970 120.400 -0.953 0.000 2.468 340 K HA 0.515 4.835 4.320 -0.001 0.000 0.252 340 K C -1.121 174.896 176.600 -0.972 0.000 0.932 340 K CA -0.830 55.032 56.287 -0.709 0.000 0.794 340 K CB 1.924 34.231 32.500 -0.321 0.000 1.241 340 K HN 0.664 nan 8.250 nan 0.000 0.428 341 A N 2.436 124.939 122.820 -0.528 0.000 2.444 341 A HA 0.469 4.789 4.320 -0.001 0.000 0.273 341 A C -0.297 177.188 177.584 -0.165 0.000 1.136 341 A CA -0.130 51.762 52.037 -0.243 0.000 0.799 341 A CB -0.028 18.975 19.000 0.005 0.000 1.081 341 A HN 0.324 nan 8.150 nan 0.000 0.509 342 V N 4.023 123.858 119.914 -0.131 0.000 2.888 342 V HA 0.324 4.444 4.120 -0.001 0.000 0.309 342 V C 0.162 176.222 176.094 -0.056 0.000 1.114 342 V CA -0.946 61.297 62.300 -0.096 0.000 0.940 342 V CB 2.063 33.818 31.823 -0.112 0.000 1.021 342 V HN 1.013 nan 8.190 nan 0.000 0.426 343 R N 1.995 122.441 120.500 -0.090 0.000 2.585 343 R HA 0.046 4.385 4.340 -0.001 0.000 0.275 343 R C 1.124 177.311 176.300 -0.189 0.000 1.018 343 R CA 0.198 56.206 56.100 -0.153 0.000 1.072 343 R CB 0.255 30.410 30.300 -0.242 0.000 0.953 343 R HN 0.911 nan 8.270 nan 0.000 0.419 344 Y N 1.492 121.727 120.300 -0.108 0.000 2.256 344 Y HA -0.234 4.316 4.550 -0.001 0.000 0.288 344 Y C 1.397 177.018 175.900 -0.466 0.000 1.155 344 Y CA 1.075 59.090 58.100 -0.143 0.000 1.203 344 Y CB -0.335 38.125 38.460 -0.001 0.000 0.980 344 Y HN 0.500 nan 8.280 nan 0.000 0.530 345 Q N 0.855 120.060 119.800 -0.991 0.000 2.364 345 Q HA -0.098 4.242 4.340 -0.001 0.000 0.207 345 Q C 1.415 177.049 176.000 -0.610 0.000 0.970 345 Q CA 1.748 56.756 55.803 -1.325 0.000 0.888 345 Q CB -0.177 28.003 28.738 -0.929 0.000 0.951 345 Q HN 0.719 nan 8.270 nan 0.000 0.469 346 E N -0.277 119.720 120.200 -0.339 0.000 2.474 346 E HA 0.058 4.408 4.350 -0.001 0.000 0.195 346 E C -0.106 176.463 176.600 -0.052 0.000 1.039 346 E CA -0.246 56.068 56.400 -0.143 0.000 0.881 346 E CB 0.489 30.114 29.700 -0.125 0.000 0.970 346 E HN 0.101 nan 8.360 nan 0.000 0.486 347 R N 1.423 121.911 120.500 -0.021 0.000 2.641 347 R HA -0.000 4.339 4.340 -0.001 0.000 0.269 347 R C 1.288 177.648 176.300 0.101 0.000 1.074 347 R CA 0.185 56.315 56.100 0.049 0.000 1.133 347 R CB 0.368 30.728 30.300 0.100 0.000 1.029 347 R HN 0.354 nan 8.270 nan 0.000 0.488 348 E N 1.484 121.729 120.200 0.075 0.000 2.204 348 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 348 E C 0.728 177.384 176.600 0.094 0.000 0.990 348 E CA 1.292 57.736 56.400 0.073 0.000 0.821 348 E CB -0.058 29.669 29.700 0.045 0.000 0.750 348 E HN 0.574 nan 8.360 nan 0.000 0.477 349 N N 0.432 119.204 118.700 0.119 0.000 2.467 349 N HA -0.119 4.621 4.740 -0.001 0.000 0.184 349 N C 1.407 177.004 175.510 0.146 0.000 1.106 349 N CA 0.218 53.334 53.050 0.109 0.000 0.892 349 N CB -0.465 38.089 38.487 0.111 0.000 0.969 349 N HN 0.199 nan 8.380 nan 0.000 0.454 350 F N 2.534 122.511 119.950 0.045 0.000 2.146 350 F HA 0.043 4.569 4.527 -0.001 0.000 0.298 350 F C 2.626 178.441 175.800 0.026 0.000 1.096 350 F CA 1.058 59.101 58.000 0.072 0.000 1.275 350 F CB -0.197 38.866 39.000 0.106 0.000 1.008 350 F HN -0.012 nan 8.300 nan 0.000 0.480 351 R N 0.324 120.829 120.500 0.009 0.000 2.081 351 R HA -0.241 4.098 4.340 -0.001 0.000 0.235 351 R C 2.421 178.574 176.300 -0.246 0.000 1.131 351 R CA 1.916 57.938 56.100 -0.129 0.000 0.960 351 R CB -0.646 29.639 30.300 -0.025 0.000 0.856 351 R HN 0.515 nan 8.270 nan 0.000 0.436 352 Q N -0.067 119.589 119.800 -0.240 0.000 2.077 352 Q HA -0.215 4.125 4.340 -0.001 0.000 0.206 352 Q C 1.897 177.506 176.000 -0.652 0.000 0.989 352 Q CA 2.149 57.677 55.803 -0.459 0.000 0.853 352 Q CB -0.219 28.298 28.738 -0.367 0.000 0.907 352 Q HN 0.487 nan 8.270 nan 0.000 0.418 353 A N 0.346 122.955 122.820 -0.352 0.000 1.898 353 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 353 A C 2.277 179.760 177.584 -0.168 0.000 1.181 353 A CA 2.064 54.000 52.037 -0.170 0.000 0.620 353 A CB -1.159 17.817 19.000 -0.040 0.000 0.819 353 A HN 0.711 nan 8.150 nan 0.000 0.442 354 T N -1.945 112.405 114.554 -0.341 0.000 2.867 354 T HA -0.127 4.223 4.350 -0.001 0.000 0.268 354 T C 1.559 176.182 174.700 -0.128 0.000 1.057 354 T CA 1.529 63.464 62.100 -0.274 0.000 1.136 354 T CB -0.382 68.202 68.868 -0.473 0.000 0.874 354 T HN 0.618 nan 8.240 nan 0.000 0.466 355 E N 0.355 120.444 120.200 -0.186 0.000 2.072 355 E HA -0.016 4.334 4.350 -0.001 0.000 0.191 355 E C 1.840 178.472 176.600 0.053 0.000 0.985 355 E CA 1.033 57.371 56.400 -0.104 0.000 0.801 355 E CB -0.270 29.317 29.700 -0.188 0.000 0.750 355 E HN 0.461 nan 8.360 nan 0.000 0.452 356 F N 1.006 120.965 119.950 0.014 0.000 2.095 356 F HA -0.154 4.373 4.527 -0.001 0.000 0.298 356 F C 2.512 178.378 175.800 0.109 0.000 1.104 356 F CA 1.105 59.132 58.000 0.045 0.000 1.232 356 F CB -0.760 38.252 39.000 0.020 0.000 0.987 356 F HN -0.067 nan 8.300 nan 0.000 0.475 357 R N 0.886 121.569 120.500 0.304 0.000 2.075 357 R HA -0.046 4.293 4.340 -0.001 0.000 0.232 357 R C 2.163 178.623 176.300 0.267 0.000 1.126 357 R CA 1.553 57.836 56.100 0.306 0.000 0.963 357 R CB -1.028 29.427 30.300 0.257 0.000 0.858 357 R HN 0.167 nan 8.270 nan 0.000 0.435 358 A N 0.204 123.124 122.820 0.167 0.000 1.933 358 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 358 A C 2.363 180.022 177.584 0.125 0.000 1.175 358 A CA 1.731 53.836 52.037 0.113 0.000 0.628 358 A CB -1.017 18.020 19.000 0.062 0.000 0.814 358 A HN 0.481 nan 8.150 nan 0.000 0.444 359 A N -1.079 121.842 122.820 0.168 0.000 1.902 359 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 359 A C 2.131 179.842 177.584 0.213 0.000 1.181 359 A CA 1.343 53.481 52.037 0.168 0.000 0.623 359 A CB -0.954 18.154 19.000 0.181 0.000 0.818 359 A HN 0.877 nan 8.150 nan 0.000 0.443 360 W N 1.150 122.491 121.300 0.069 0.000 2.354 360 W HA -0.206 4.453 4.660 -0.001 0.000 0.315 360 W C 1.080 177.628 176.519 0.049 0.000 1.206 360 W CA 1.960 59.335 57.345 0.049 0.000 1.290 360 W CB -0.304 29.183 29.460 0.045 0.000 1.152 360 W HN 0.394 nan 8.180 nan 0.000 0.489 361 D N 0.109 120.482 120.400 -0.045 0.000 2.149 361 D HA -0.136 4.503 4.640 -0.001 0.000 0.198 361 D C 2.362 178.525 176.300 -0.227 0.000 0.990 361 D CA 2.055 55.922 54.000 -0.221 0.000 0.839 361 D CB -1.102 39.674 40.800 -0.041 0.000 0.948 361 D HN 0.322 nan 8.370 nan 0.000 0.460 362 G N -0.363 108.377 108.800 -0.099 0.000 2.418 362 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 362 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 362 G C 1.550 176.362 174.900 -0.147 0.000 1.158 362 G CA 0.558 45.600 45.100 -0.097 0.000 0.771 362 G HN 0.325 nan 8.290 nan 0.000 0.545 363 W N 1.064 122.170 121.300 -0.324 0.000 2.358 363 W HA -0.101 4.559 4.660 -0.001 0.000 0.303 363 W C 2.445 178.589 176.519 -0.625 0.000 1.208 363 W CA 1.755 58.859 57.345 -0.401 0.000 1.274 363 W CB -0.270 28.985 29.460 -0.341 0.000 1.138 363 W HN 0.030 nan 8.180 nan 0.000 0.515 364 V N 1.883 121.371 119.914 -0.711 0.000 2.332 364 V HA -0.338 3.782 4.120 -0.001 0.000 0.248 364 V C 2.641 178.303 176.094 -0.720 0.000 1.055 364 V CA 2.108 63.819 62.300 -0.982 0.000 1.038 364 V CB -0.929 30.343 31.823 -0.918 0.000 0.651 364 V HN 0.134 nan 8.190 nan 0.000 0.450 365 R N 0.239 120.450 120.500 -0.482 0.000 2.096 365 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 365 R C 2.155 178.232 176.300 -0.372 0.000 1.127 365 R CA 1.442 57.337 56.100 -0.341 0.000 0.968 365 R CB -0.637 29.527 30.300 -0.228 0.000 0.861 365 R HN 0.645 nan 8.270 nan 0.000 0.440 366 E N 0.537 120.468 120.200 -0.448 0.000 2.110 366 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 366 E C 1.930 178.212 176.600 -0.530 0.000 0.988 366 E CA 0.872 57.009 56.400 -0.437 0.000 0.804 366 E CB 0.075 29.511 29.700 -0.441 0.000 0.745 366 E HN 0.238 nan 8.360 nan 0.000 0.458 367 Q N 0.372 119.694 119.800 -0.796 0.000 2.311 367 Q HA -0.088 4.252 4.340 -0.001 0.000 0.203 367 Q C 1.458 177.229 176.000 -0.381 0.000 0.954 367 Q CA 0.896 56.260 55.803 -0.733 0.000 0.885 367 Q CB 0.070 28.036 28.738 -1.286 0.000 0.963 367 Q HN 0.440 nan 8.270 nan 0.000 0.471 368 E N 0.462 120.462 120.200 -0.334 0.000 2.285 368 E HA 0.034 4.383 4.350 -0.001 0.000 0.194 368 E C 0.075 176.586 176.600 -0.147 0.000 0.997 368 E CA -0.036 56.259 56.400 -0.175 0.000 0.845 368 E CB 0.298 29.902 29.700 -0.159 0.000 0.782 368 E HN 0.034 nan 8.360 nan 0.000 0.491 369 S N 0.307 115.898 115.700 -0.181 0.000 2.564 369 S HA 0.424 4.893 4.470 -0.001 0.000 0.278 369 S C 0.225 174.757 174.600 -0.114 0.000 1.333 369 S CA 0.323 58.440 58.200 -0.138 0.000 1.048 369 S CB 1.177 64.288 63.200 -0.149 0.000 0.900 369 S HN 0.422 nan 8.310 nan 0.000 0.505 370 G N 3.106 111.856 108.800 -0.084 0.000 3.445 370 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.686 370 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.686 370 G C -0.703 174.164 174.900 -0.055 0.000 1.113 370 G CA -0.402 44.657 45.100 -0.067 0.000 0.974 370 G HN 0.725 nan 8.290 nan 0.000 0.492 371 D N 1.424 121.799 120.400 -0.042 0.000 2.430 371 D HA 0.812 5.452 4.640 -0.001 0.000 0.285 371 D C 1.434 177.718 176.300 -0.026 0.000 1.210 371 D CA 1.010 54.992 54.000 -0.030 0.000 1.080 371 D CB -0.189 40.596 40.800 -0.024 0.000 1.134 371 D HN 2.120 nan 8.370 nan 0.000 0.562 372 G N -1.593 107.197 108.800 -0.017 0.000 2.645 372 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.246 372 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.246 372 G C -0.536 174.355 174.900 -0.015 0.000 1.322 372 G CA 0.196 45.288 45.100 -0.015 0.000 0.898 372 G HN 0.564 nan 8.290 nan 0.000 0.573 373 M N 1.328 120.919 119.600 -0.016 0.000 2.535 373 M HA 0.412 4.891 4.480 -0.001 0.000 0.314 373 M C -1.694 174.592 176.300 -0.024 0.000 1.153 373 M CA -1.554 53.737 55.300 -0.016 0.000 0.924 373 M CB 0.971 33.565 32.600 -0.010 0.000 1.710 373 M HN 0.711 nan 8.290 nan 0.000 0.451 374 P HA 0.395 nan 4.420 nan 0.000 0.272 374 P C -0.944 176.340 177.300 -0.028 0.000 1.223 374 P CA -0.390 62.693 63.100 -0.027 0.000 0.784 374 P CB 0.424 32.100 31.700 -0.041 0.000 0.923 375 A N 1.696 124.506 122.820 -0.017 0.000 2.371 375 A HA 0.325 4.644 4.320 -0.001 0.000 0.257 375 A C 0.639 178.192 177.584 -0.051 0.000 1.089 375 A CA -0.329 51.696 52.037 -0.020 0.000 0.794 375 A CB -0.024 18.984 19.000 0.013 0.000 1.029 375 A HN 0.602 nan 8.150 nan 0.000 0.488 376 S N 1.853 117.520 115.700 -0.055 0.000 2.528 376 S HA 0.232 4.702 4.470 -0.001 0.000 0.277 376 S C 1.235 175.770 174.600 -0.108 0.000 1.297 376 S CA -0.369 57.790 58.200 -0.068 0.000 1.052 376 S CB -0.064 63.108 63.200 -0.047 0.000 0.917 376 S HN 0.573 nan 8.310 nan 0.000 0.492 377 M N 4.168 123.633 119.600 -0.225 0.000 2.296 377 M HA -0.019 4.461 4.480 -0.001 0.000 0.265 377 M C 1.099 177.232 176.300 -0.278 0.000 1.064 377 M CA 1.529 56.578 55.300 -0.418 0.000 1.109 377 M CB -0.346 31.800 32.600 -0.757 0.000 1.396 377 M HN 0.774 nan 8.290 nan 0.000 0.430 378 F N 0.050 119.893 119.950 -0.178 0.000 2.171 378 F HA -0.202 4.325 4.527 -0.001 0.000 0.300 378 F C 2.640 178.357 175.800 -0.138 0.000 1.090 378 F CA 1.232 59.136 58.000 -0.160 0.000 1.293 378 F CB -0.389 38.467 39.000 -0.241 0.000 1.013 378 F HN 0.061 nan 8.300 nan 0.000 0.486 379 R N 1.245 121.766 120.500 0.036 0.000 2.073 379 R HA -0.124 4.215 4.340 -0.001 0.000 0.234 379 R C 2.147 178.448 176.300 0.002 0.000 1.134 379 R CA 1.688 57.784 56.100 -0.006 0.000 0.952 379 R CB -1.142 29.144 30.300 -0.024 0.000 0.850 379 R HN 0.189 nan 8.270 nan 0.000 0.433 380 A N 0.413 123.240 122.820 0.012 0.000 1.883 380 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 380 A C 2.139 179.743 177.584 0.033 0.000 1.186 380 A CA 1.964 54.039 52.037 0.063 0.000 0.624 380 A CB -0.487 18.626 19.000 0.188 0.000 0.822 380 A HN 0.333 nan 8.150 nan 0.000 0.444 381 M N -0.610 118.996 119.600 0.010 0.000 2.229 381 M HA -0.057 4.422 4.480 -0.001 0.000 0.264 381 M C 2.457 178.738 176.300 -0.031 0.000 1.063 381 M CA 1.339 56.631 55.300 -0.014 0.000 1.114 381 M CB -1.473 31.117 32.600 -0.016 0.000 1.387 381 M HN 0.508 nan 8.290 nan 0.000 0.420 382 A N 0.088 122.899 122.820 -0.015 0.000 1.933 382 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 382 A C 2.083 179.641 177.584 -0.042 0.000 1.175 382 A CA 1.333 53.353 52.037 -0.029 0.000 0.628 382 A CB -0.404 18.577 19.000 -0.032 0.000 0.814 382 A HN 0.420 nan 8.150 nan 0.000 0.444 383 E N -0.083 120.095 120.200 -0.036 0.000 2.072 383 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 383 E C 2.220 178.771 176.600 -0.082 0.000 0.985 383 E CA 1.246 57.624 56.400 -0.037 0.000 0.801 383 E CB -0.662 29.032 29.700 -0.010 0.000 0.750 383 E HN 0.389 nan 8.360 nan 0.000 0.452 384 V N 1.807 121.636 119.914 -0.141 0.000 2.287 384 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 384 V C 2.429 178.333 176.094 -0.316 0.000 1.053 384 V CA 1.839 63.928 62.300 -0.351 0.000 1.027 384 V CB -0.511 31.024 31.823 -0.481 0.000 0.646 384 V HN 0.213 nan 8.190 nan 0.000 0.447 385 R N -0.039 120.356 120.500 -0.176 0.000 2.127 385 R HA -0.178 4.161 4.340 -0.001 0.000 0.238 385 R C 2.305 178.564 176.300 -0.070 0.000 1.134 385 R CA 1.306 57.342 56.100 -0.107 0.000 0.975 385 R CB -0.329 29.943 30.300 -0.047 0.000 0.865 385 R HN 0.529 nan 8.270 nan 0.000 0.447 386 K N 0.374 120.739 120.400 -0.059 0.000 2.283 386 K HA -0.066 4.253 4.320 -0.001 0.000 0.202 386 K C 1.539 178.133 176.600 -0.010 0.000 1.048 386 K CA 1.238 57.510 56.287 -0.026 0.000 0.948 386 K CB 0.270 32.758 32.500 -0.019 0.000 0.742 386 K HN 0.172 nan 8.250 nan 0.000 0.458 387 V N -1.882 118.019 119.914 -0.021 0.000 3.176 387 V HA 0.176 4.296 4.120 -0.001 0.000 0.332 387 V C -0.044 176.109 176.094 0.099 0.000 1.414 387 V CA -0.663 61.668 62.300 0.051 0.000 1.133 387 V CB -0.038 31.849 31.823 0.106 0.000 1.088 387 V HN 0.055 nan 8.190 nan 0.000 0.473 388 Q N 1.806 121.615 119.800 0.015 0.000 2.290 388 Q HA 0.548 4.887 4.340 -0.001 0.000 0.259 388 Q C -0.452 175.601 176.000 0.088 0.000 0.941 388 Q CA -0.627 55.212 55.803 0.060 0.000 0.912 388 Q CB 1.581 30.264 28.738 -0.093 0.000 1.244 388 Q HN 0.616 nan 8.270 nan 0.000 0.441 389 R N 3.504 124.082 120.500 0.130 0.000 2.674 389 R HA 0.287 4.626 4.340 -0.001 0.000 0.266 389 R C -1.816 174.535 176.300 0.085 0.000 1.016 389 R CA -1.967 54.188 56.100 0.091 0.000 1.062 389 R CB 0.552 30.902 30.300 0.084 0.000 1.142 389 R HN 0.495 nan 8.270 nan 0.000 0.517 390 P HA -0.222 nan 4.420 nan 0.000 0.218 390 P C 0.736 178.071 177.300 0.058 0.000 1.148 390 P CA 1.270 64.404 63.100 0.056 0.000 0.822 390 P CB 0.196 31.920 31.700 0.040 0.000 0.784 391 E N -0.821 119.411 120.200 0.055 0.000 2.427 391 E HA -0.055 4.294 4.350 -0.001 0.000 0.196 391 E C -0.008 176.630 176.600 0.062 0.000 1.028 391 E CA 0.624 57.052 56.400 0.046 0.000 0.864 391 E CB -0.772 28.947 29.700 0.030 0.000 0.813 391 E HN 0.223 nan 8.360 nan 0.000 0.514 392 D N 1.404 121.864 120.400 0.101 0.000 2.362 392 D HA 0.276 4.915 4.640 -0.001 0.000 0.242 392 D C 0.124 176.516 176.300 0.153 0.000 1.132 392 D CA -0.020 54.067 54.000 0.145 0.000 0.907 392 D CB 1.085 42.052 40.800 0.279 0.000 1.195 392 D HN 0.087 nan 8.370 nan 0.000 0.429 393 I N 1.775 122.437 120.570 0.154 0.000 2.441 393 I HA 0.226 4.395 4.170 -0.001 0.000 0.295 393 I C -0.287 175.956 176.117 0.209 0.000 0.994 393 I CA -0.841 60.543 61.300 0.140 0.000 1.144 393 I CB 1.550 39.598 38.000 0.079 0.000 1.314 393 I HN 0.007 nan 8.210 nan 0.000 0.445 394 I N 6.864 127.546 120.570 0.187 0.000 2.354 394 I HA 0.407 4.577 4.170 -0.001 0.000 0.292 394 I C -0.053 176.160 176.117 0.160 0.000 0.989 394 I CA -0.627 60.793 61.300 0.200 0.000 1.188 394 I CB 1.465 39.574 38.000 0.181 0.000 1.342 394 I HN 0.143 nan 8.210 nan 0.000 0.457 395 V N 4.920 124.925 119.914 0.151 0.000 2.628 395 V HA 0.666 4.786 4.120 -0.001 0.000 0.306 395 V C 0.102 176.277 176.094 0.135 0.000 1.045 395 V CA -0.523 61.844 62.300 0.111 0.000 0.905 395 V CB 2.180 34.036 31.823 0.056 0.000 0.997 395 V HN 0.852 nan 8.190 nan 0.000 0.436 396 T N 1.249 115.880 114.554 0.129 0.000 2.906 396 T HA 0.412 4.761 4.350 -0.001 0.000 0.295 396 T C -0.925 173.834 174.700 0.099 0.000 1.075 396 T CA -0.405 61.784 62.100 0.147 0.000 1.005 396 T CB 2.017 70.954 68.868 0.116 0.000 1.136 396 T HN 0.847 nan 8.240 nan 0.000 0.498 397 D N 0.643 121.184 120.400 0.235 0.000 2.560 397 D HA 0.417 5.057 4.640 -0.001 0.000 0.277 397 D C -0.411 175.905 176.300 0.028 0.000 1.194 397 D CA -0.430 53.689 54.000 0.199 0.000 1.092 397 D CB 0.937 41.878 40.800 0.236 0.000 1.169 397 D HN 0.353 nan 8.370 nan 0.000 0.607 398 I N 0.520 121.095 120.570 0.009 0.000 2.362 398 I HA 0.571 4.741 4.170 -0.001 0.000 0.289 398 I C 0.894 176.969 176.117 -0.071 0.000 0.994 398 I CA -0.206 61.033 61.300 -0.101 0.000 1.158 398 I CB 0.258 38.270 38.000 0.020 0.000 1.315 398 I HN 0.544 nan 8.210 nan 0.000 0.451 399 G N 5.199 113.834 108.800 -0.275 0.000 2.333 399 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.288 399 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.288 399 G C 0.250 175.056 174.900 -0.157 0.000 1.286 399 G CA -0.562 44.496 45.100 -0.069 0.000 0.865 399 G HN 0.315 nan 8.290 nan 0.000 0.506 400 N N 0.335 119.056 118.700 0.036 0.000 2.091 400 N HA -0.172 4.567 4.740 -0.001 0.000 0.193 400 N C 2.044 177.502 175.510 -0.086 0.000 1.021 400 N CA 2.023 55.077 53.050 0.007 0.000 0.862 400 N CB -0.549 37.988 38.487 0.084 0.000 1.018 400 N HN 0.760 nan 8.380 nan 0.000 0.429 401 H N -0.808 118.232 119.070 -0.050 0.000 2.489 401 H HA 0.015 4.571 4.556 -0.000 0.000 0.295 401 H C 1.123 176.359 175.328 -0.153 0.000 1.082 401 H CA 1.433 57.414 56.048 -0.111 0.000 1.295 401 H CB -0.902 28.889 29.762 0.047 0.000 1.380 401 H HN 0.079 nan 8.280 nan 0.000 0.548 402 T N 2.083 116.267 114.554 -0.616 0.000 2.759 402 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 402 T C 2.255 176.614 174.700 -0.568 0.000 1.042 402 T CA 1.169 62.877 62.100 -0.653 0.000 1.140 402 T CB -0.331 68.083 68.868 -0.756 0.000 0.864 402 T HN 0.307 nan 8.240 nan 0.000 0.455 403 L N 1.414 122.414 121.223 -0.372 0.000 1.994 403 L HA -0.023 4.317 4.340 -0.001 0.000 0.208 403 L C -0.821 175.978 176.870 -0.118 0.000 1.071 403 L CA 1.456 56.184 54.840 -0.186 0.000 0.745 403 L CB -0.900 41.119 42.059 -0.067 0.000 0.892 403 L HN 0.164 nan 8.230 nan 0.000 0.431 404 P HA -0.139 nan 4.420 nan 0.000 0.218 404 P C 1.778 178.812 177.300 -0.443 0.000 1.149 404 P CA 1.251 63.832 63.100 -0.864 0.000 0.817 404 P CB -0.052 31.046 31.700 -1.003 0.000 0.785 405 M N -1.809 117.692 119.600 -0.165 0.000 2.086 405 M HA -0.098 4.382 4.480 -0.001 0.000 0.261 405 M C 2.168 178.630 176.300 0.269 0.000 1.067 405 M CA 1.765 57.101 55.300 0.060 0.000 1.116 405 M CB -1.753 30.918 32.600 0.119 0.000 1.348 405 M HN 0.021 nan 8.290 nan 0.000 0.407 406 F N -0.376 119.608 119.950 0.057 0.000 2.186 406 F HA -0.107 4.420 4.527 -0.001 0.000 0.299 406 F C 2.420 178.467 175.800 0.412 0.000 1.090 406 F CA 0.635 58.742 58.000 0.178 0.000 1.307 406 F CB -0.539 38.524 39.000 0.104 0.000 1.019 406 F HN 0.274 nan 8.300 nan 0.000 0.489 407 G N -0.566 108.557 108.800 0.538 0.000 2.511 407 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.217 407 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.217 407 G C 1.678 176.815 174.900 0.396 0.000 1.133 407 G CA 0.741 46.217 45.100 0.627 0.000 0.792 407 G HN 0.441 nan 8.290 nan 0.000 0.539 408 G N -0.217 108.724 108.800 0.236 0.000 3.088 408 G HA2 0.427 4.387 3.960 -0.001 0.000 0.217 408 G HA3 0.427 4.387 3.960 -0.001 0.000 0.217 408 G C 0.646 175.650 174.900 0.174 0.000 1.159 408 G CA 0.629 45.824 45.100 0.157 0.000 0.760 408 G HN 0.582 nan 8.290 nan 0.000 0.550 409 A N 0.899 123.885 122.820 0.276 0.000 2.347 409 A HA 0.655 4.975 4.320 -0.001 0.000 0.287 409 A C -0.361 177.456 177.584 0.388 0.000 1.199 409 A CA -0.163 52.034 52.037 0.267 0.000 0.851 409 A CB -0.068 19.086 19.000 0.257 0.000 1.118 409 A HN 0.248 nan 8.150 nan 0.000 0.525 410 I N 4.263 125.007 120.570 0.291 0.000 2.411 410 I HA 0.320 4.489 4.170 -0.001 0.000 0.284 410 I C -0.702 175.542 176.117 0.212 0.000 1.012 410 I CA -0.087 61.422 61.300 0.349 0.000 1.119 410 I CB 1.166 39.332 38.000 0.276 0.000 1.261 410 I HN 0.498 nan 8.210 nan 0.000 0.448 411 L N 5.835 127.168 121.223 0.184 0.000 2.342 411 L HA 0.478 4.818 4.340 -0.001 0.000 0.271 411 L C 0.515 177.426 176.870 0.070 0.000 1.008 411 L CA -0.561 54.342 54.840 0.106 0.000 0.818 411 L CB 2.099 44.205 42.059 0.078 0.000 1.296 411 L HN 0.527 nan 8.230 nan 0.000 0.427 412 Q N 1.142 120.972 119.800 0.050 0.000 2.185 412 Q HA 0.320 4.659 4.340 -0.001 0.000 0.234 412 Q C -0.180 175.826 176.000 0.010 0.000 0.819 412 Q CA 0.167 55.983 55.803 0.021 0.000 0.961 412 Q CB 1.884 30.637 28.738 0.026 0.000 1.140 412 Q HN 0.585 nan 8.270 nan 0.000 0.492 413 R N 0.626 121.139 120.500 0.022 0.000 2.808 413 R HA 0.514 4.854 4.340 -0.001 0.000 0.272 413 R C -2.735 173.576 176.300 0.018 0.000 0.995 413 R CA -1.874 54.236 56.100 0.016 0.000 0.917 413 R CB 1.576 31.888 30.300 0.020 0.000 1.217 413 R HN -0.132 nan 8.270 nan 0.000 0.471 414 P HA 0.156 nan 4.420 nan 0.000 0.276 414 P C -0.733 176.571 177.300 0.006 0.000 1.252 414 P CA -0.387 62.715 63.100 0.004 0.000 0.802 414 P CB 0.567 32.260 31.700 -0.011 0.000 1.035 415 R N 0.147 120.657 120.500 0.017 0.000 3.525 415 R HA -0.166 4.174 4.340 -0.001 0.000 0.276 415 R C 0.309 176.672 176.300 0.105 0.000 1.116 415 R CA 0.444 56.566 56.100 0.037 0.000 0.745 415 R CB -2.068 28.157 30.300 -0.125 0.000 1.185 415 R HN 0.552 nan 8.270 nan 0.000 0.454 416 R N -0.248 120.314 120.500 0.103 0.000 2.362 416 R HA 0.227 4.566 4.340 -0.001 0.000 0.227 416 R C 0.430 176.800 176.300 0.118 0.000 0.905 416 R CA -0.271 55.891 56.100 0.103 0.000 1.067 416 R CB 0.324 30.674 30.300 0.083 0.000 1.078 416 R HN 0.080 nan 8.270 nan 0.000 0.516 417 L N 0.750 122.048 121.223 0.124 0.000 2.372 417 L HA 0.449 4.789 4.340 -0.001 0.000 0.274 417 L C -1.187 175.712 176.870 0.049 0.000 0.988 417 L CA -0.795 54.091 54.840 0.078 0.000 0.833 417 L CB 2.111 44.159 42.059 -0.019 0.000 1.236 417 L HN -0.268 nan 8.230 nan 0.000 0.410 418 V N 4.338 124.272 119.914 0.035 0.000 2.638 418 V HA 0.869 4.989 4.120 -0.001 0.000 0.306 418 V C -0.109 175.957 176.094 -0.047 0.000 1.052 418 V CA -0.230 62.020 62.300 -0.084 0.000 0.885 418 V CB 1.735 33.557 31.823 -0.002 0.000 0.999 418 V HN 0.888 nan 8.190 nan 0.000 0.424 419 T N 1.678 116.159 114.554 -0.121 0.000 2.658 419 T HA 0.251 4.600 4.350 -0.001 0.000 0.306 419 T C -0.656 173.993 174.700 -0.085 0.000 1.544 419 T CA -0.008 62.051 62.100 -0.069 0.000 0.991 419 T CB 1.809 70.696 68.868 0.032 0.000 1.774 419 T HN 0.665 nan 8.240 nan 0.000 0.479 420 S N 2.345 118.003 115.700 -0.070 0.000 3.900 420 S HA 0.177 4.646 4.470 -0.001 0.000 0.248 420 S C 1.766 176.413 174.600 0.079 0.000 1.310 420 S CA -0.542 57.684 58.200 0.044 0.000 0.915 420 S CB -0.838 62.375 63.200 0.022 0.000 1.588 420 S HN 0.508 nan 8.310 nan 0.000 0.472 421 M N 2.274 121.907 119.600 0.056 0.000 2.086 421 M HA -0.086 4.394 4.480 -0.001 0.000 0.261 421 M C 2.353 178.724 176.300 0.119 0.000 1.067 421 M CA 1.710 57.067 55.300 0.096 0.000 1.116 421 M CB -1.531 31.089 32.600 0.033 0.000 1.348 421 M HN 0.741 nan 8.290 nan 0.000 0.407 422 A N -0.808 122.061 122.820 0.083 0.000 2.021 422 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 422 A C 1.872 179.437 177.584 -0.031 0.000 1.163 422 A CA 1.034 53.099 52.037 0.046 0.000 0.676 422 A CB -0.035 18.993 19.000 0.047 0.000 0.818 422 A HN 0.432 nan 8.150 nan 0.000 0.453 423 E N -1.681 118.517 120.200 -0.003 0.000 2.541 423 E HA 0.185 4.535 4.350 -0.001 0.000 0.219 423 E C 0.847 177.411 176.600 -0.061 0.000 0.922 423 E CA 0.556 56.914 56.400 -0.070 0.000 1.095 423 E CB 0.264 29.972 29.700 0.014 0.000 1.112 423 E HN 0.645 nan 8.360 nan 0.000 0.516 424 G N 2.873 111.703 108.800 0.051 0.000 2.366 424 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.299 424 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.299 424 G C 0.208 175.163 174.900 0.091 0.000 1.020 424 G CA 0.311 45.486 45.100 0.124 0.000 1.026 424 G HN 0.229 nan 8.290 nan 0.000 0.512 425 I N 0.232 120.860 120.570 0.097 0.000 2.337 425 I HA 0.242 4.411 4.170 -0.001 0.000 0.291 425 I C 0.938 177.020 176.117 -0.059 0.000 1.046 425 I CA -1.044 60.323 61.300 0.112 0.000 1.324 425 I CB 0.968 39.178 38.000 0.349 0.000 1.409 425 I HN 0.158 nan 8.210 nan 0.000 0.494 426 L N 6.910 128.061 121.223 -0.120 0.000 2.514 426 L HA 0.289 4.629 4.340 -0.001 0.000 0.280 426 L C 1.141 177.576 176.870 -0.725 0.000 1.223 426 L CA 1.405 56.058 54.840 -0.312 0.000 0.864 426 L CB 0.433 42.351 42.059 -0.235 0.000 1.118 426 L HN 0.899 nan 8.230 nan 0.000 0.494 427 G N 1.916 110.383 108.800 -0.555 0.000 2.234 427 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.235 427 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.235 427 G C 1.154 175.886 174.900 -0.280 0.000 0.997 427 G CA 0.675 45.540 45.100 -0.391 0.000 0.623 427 G HN 1.262 nan 8.290 nan 0.000 0.514 428 C N 0.918 119.786 119.300 -0.720 0.000 2.403 428 C HA 0.304 4.764 4.460 -0.001 0.000 0.279 428 C C 2.991 177.598 174.990 -0.637 0.000 1.269 428 C CA 1.320 59.528 59.018 -1.351 0.000 1.774 428 C CB -1.523 25.328 27.740 -1.482 0.000 1.993 428 C HN 1.158 nan 8.230 nan 0.000 0.496 429 G N -0.136 108.489 108.800 -0.292 0.000 2.433 429 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.216 429 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.216 429 G C 1.330 176.200 174.900 -0.049 0.000 1.186 429 G CA 0.974 46.001 45.100 -0.122 0.000 0.779 429 G HN 0.517 nan 8.290 nan 0.000 0.543 430 F N 3.017 122.887 119.950 -0.133 0.000 2.069 430 F HA -0.031 4.496 4.527 -0.001 0.000 0.298 430 F C 0.309 176.041 175.800 -0.114 0.000 1.113 430 F CA 1.674 59.595 58.000 -0.131 0.000 1.214 430 F CB -0.697 38.226 39.000 -0.127 0.000 0.978 430 F HN 0.143 nan 8.300 nan 0.000 0.474 431 P HA -0.156 nan 4.420 nan 0.000 0.220 431 P C 1.947 179.185 177.300 -0.104 0.000 1.152 431 P CA 1.760 64.756 63.100 -0.173 0.000 0.812 431 P CB -0.294 31.383 31.700 -0.038 0.000 0.792 432 M N -0.328 119.224 119.600 -0.082 0.000 2.159 432 M HA -0.106 4.373 4.480 -0.001 0.000 0.263 432 M C 2.327 178.597 176.300 -0.050 0.000 1.063 432 M CA 1.998 57.294 55.300 -0.007 0.000 1.110 432 M CB -0.864 31.720 32.600 -0.026 0.000 1.374 432 M HN -0.075 nan 8.290 nan 0.000 0.411 433 A N 0.647 123.390 122.820 -0.128 0.000 1.902 433 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 433 A C 2.083 179.556 177.584 -0.185 0.000 1.181 433 A CA 1.306 53.260 52.037 -0.139 0.000 0.623 433 A CB -0.876 18.028 19.000 -0.160 0.000 0.818 433 A HN 0.456 nan 8.150 nan 0.000 0.443 434 L N -0.769 120.276 121.223 -0.297 0.000 2.046 434 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 434 L C 2.830 179.645 176.870 -0.092 0.000 1.077 434 L CA 1.138 55.827 54.840 -0.252 0.000 0.747 434 L CB -0.921 40.929 42.059 -0.348 0.000 0.896 434 L HN 0.494 nan 8.230 nan 0.000 0.432 435 G N -0.346 108.441 108.800 -0.023 0.000 2.418 435 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 435 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 435 G C 1.792 176.728 174.900 0.060 0.000 1.158 435 G CA 0.784 45.946 45.100 0.104 0.000 0.771 435 G HN 0.456 nan 8.290 nan 0.000 0.545 436 A N 0.268 123.089 122.820 0.001 0.000 1.902 436 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 436 A C 2.307 179.832 177.584 -0.098 0.000 1.181 436 A CA 2.263 54.270 52.037 -0.049 0.000 0.623 436 A CB -0.461 18.537 19.000 -0.003 0.000 0.818 436 A HN 0.420 nan 8.150 nan 0.000 0.443 437 Q N -0.069 119.683 119.800 -0.080 0.000 2.084 437 Q HA -0.073 4.267 4.340 -0.001 0.000 0.202 437 Q C 1.819 177.777 176.000 -0.070 0.000 0.978 437 Q CA 1.691 57.445 55.803 -0.081 0.000 0.844 437 Q CB -0.523 28.162 28.738 -0.088 0.000 0.898 437 Q HN 0.643 nan 8.270 nan 0.000 0.426 438 L N -0.334 120.871 121.223 -0.031 0.000 2.083 438 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 438 L C 2.325 179.167 176.870 -0.046 0.000 1.083 438 L CA 1.155 56.022 54.840 0.045 0.000 0.752 438 L CB -0.585 41.589 42.059 0.192 0.000 0.899 438 L HN 0.329 nan 8.230 nan 0.000 0.433 439 A N -1.284 121.287 122.820 -0.415 0.000 1.968 439 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 439 A C 1.137 178.517 177.584 -0.340 0.000 1.169 439 A CA 1.048 52.584 52.037 -0.835 0.000 0.638 439 A CB 0.037 18.328 19.000 -1.181 0.000 0.812 439 A HN 0.289 nan 8.150 nan 0.000 0.446 440 E N -0.561 119.516 120.200 -0.206 0.000 3.303 440 E HA 0.168 4.518 4.350 -0.001 0.000 0.215 440 E C -2.241 174.315 176.600 -0.074 0.000 1.181 440 E CA -1.541 54.789 56.400 -0.116 0.000 0.998 440 E CB 0.942 30.583 29.700 -0.097 0.000 1.312 440 E HN 0.335 nan 8.360 nan 0.000 0.412 441 P HA -0.164 nan 4.420 nan 0.000 0.222 441 P C 0.898 178.181 177.300 -0.029 0.000 1.147 441 P CA 1.113 64.192 63.100 -0.034 0.000 0.790 441 P CB -0.011 31.680 31.700 -0.016 0.000 0.780 442 N N -1.619 117.065 118.700 -0.027 0.000 2.467 442 N HA 0.003 4.743 4.740 -0.001 0.000 0.184 442 N C 0.116 175.615 175.510 -0.018 0.000 1.106 442 N CA -0.142 52.897 53.050 -0.018 0.000 0.892 442 N CB -0.088 38.394 38.487 -0.009 0.000 0.969 442 N HN -0.178 nan 8.380 nan 0.000 0.454 443 S N 0.519 116.202 115.700 -0.028 0.000 2.554 443 S HA 0.194 4.663 4.470 -0.001 0.000 0.278 443 S C -0.240 174.324 174.600 -0.059 0.000 1.242 443 S CA -0.829 57.357 58.200 -0.024 0.000 1.051 443 S CB 1.450 64.638 63.200 -0.020 0.000 0.986 443 S HN 0.306 nan 8.310 nan 0.000 0.502 444 R N 1.944 122.401 120.500 -0.071 0.000 2.438 444 R HA 0.408 4.748 4.340 -0.001 0.000 0.287 444 R C -1.337 174.811 176.300 -0.254 0.000 1.077 444 R CA -0.173 55.796 56.100 -0.219 0.000 1.034 444 R CB 0.352 30.470 30.300 -0.303 0.000 0.993 444 R HN 0.423 nan 8.270 nan 0.000 0.459 445 V N 6.109 125.813 119.914 -0.350 0.000 2.378 445 V HA 0.366 4.486 4.120 -0.001 0.000 0.288 445 V C -0.903 175.008 176.094 -0.306 0.000 1.016 445 V CA -0.562 61.616 62.300 -0.203 0.000 0.840 445 V CB 1.094 32.847 31.823 -0.117 0.000 0.994 445 V HN 0.598 nan 8.190 nan 0.000 0.431 446 F N 5.429 125.393 119.950 0.024 0.000 2.388 446 F HA 0.616 5.143 4.527 -0.001 0.000 0.358 446 F C -0.186 175.630 175.800 0.026 0.000 1.122 446 F CA -0.674 57.342 58.000 0.027 0.000 1.056 446 F CB 1.670 40.694 39.000 0.039 0.000 1.155 446 F HN 0.336 nan 8.300 nan 0.000 0.461 447 L N 3.626 124.942 121.223 0.156 0.000 2.296 447 L HA 0.797 5.137 4.340 -0.001 0.000 0.286 447 L C -0.073 176.808 176.870 0.018 0.000 1.023 447 L CA -0.275 54.617 54.840 0.088 0.000 0.812 447 L CB 1.296 43.390 42.059 0.057 0.000 1.223 447 L HN 0.608 nan 8.230 nan 0.000 0.421 448 G N 2.717 111.545 108.800 0.047 0.000 2.377 448 G HA2 0.493 4.453 3.960 -0.001 0.000 0.316 448 G HA3 0.493 4.453 3.960 -0.001 0.000 0.316 448 G C -0.735 174.144 174.900 -0.036 0.000 1.115 448 G CA -0.259 44.808 45.100 -0.054 0.000 0.952 448 G HN 0.657 nan 8.290 nan 0.000 0.441 449 T N 1.342 115.676 114.554 -0.367 0.000 2.876 449 T HA 0.667 5.017 4.350 -0.001 0.000 0.289 449 T C 0.849 175.186 174.700 -0.605 0.000 1.014 449 T CA 0.072 61.945 62.100 -0.378 0.000 0.986 449 T CB 1.171 69.896 68.868 -0.240 0.000 1.021 449 T HN 0.676 nan 8.240 nan 0.000 0.458 450 G N 2.354 110.556 108.800 -0.997 0.000 2.636 450 G HA2 0.213 4.173 3.960 -0.001 0.000 0.246 450 G HA3 0.213 4.173 3.960 -0.001 0.000 0.246 450 G C 0.829 175.651 174.900 -0.131 0.000 1.216 450 G CA -0.054 44.785 45.100 -0.434 0.000 0.854 450 G HN 0.860 nan 8.290 nan 0.000 0.572 451 D N 0.102 120.533 120.400 0.053 0.000 2.117 451 D HA -0.082 4.558 4.640 -0.001 0.000 0.198 451 D C 2.282 178.825 176.300 0.405 0.000 0.982 451 D CA 1.328 55.440 54.000 0.188 0.000 0.828 451 D CB -1.031 40.002 40.800 0.388 0.000 0.967 451 D HN 0.486 nan 8.370 nan 0.000 0.464 452 G N 0.648 109.738 108.800 0.483 0.000 2.442 452 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.219 452 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.219 452 G C 1.772 176.978 174.900 0.511 0.000 1.141 452 G CA 1.602 46.937 45.100 0.392 0.000 0.763 452 G HN 0.532 nan 8.290 nan 0.000 0.554 453 A N 0.480 123.529 122.820 0.382 0.000 1.873 453 A HA 0.077 4.397 4.320 -0.001 0.000 0.215 453 A C 2.338 180.083 177.584 0.268 0.000 1.186 453 A CA 1.629 53.828 52.037 0.269 0.000 0.616 453 A CB -0.524 18.568 19.000 0.153 0.000 0.823 453 A HN 0.443 nan 8.150 nan 0.000 0.442 454 L N -1.481 119.806 121.223 0.106 0.000 2.131 454 L HA -0.125 4.215 4.340 -0.001 0.000 0.210 454 L C 2.160 179.190 176.870 0.267 0.000 1.092 454 L CA 1.682 56.503 54.840 -0.032 0.000 0.759 454 L CB -0.904 40.837 42.059 -0.530 0.000 0.903 454 L HN 0.492 nan 8.230 nan 0.000 0.435 455 Y N -1.708 118.803 120.300 0.352 0.000 2.241 455 Y HA -0.370 4.180 4.550 -0.001 0.000 0.286 455 Y C 2.189 178.326 175.900 0.394 0.000 1.166 455 Y CA 2.082 60.474 58.100 0.488 0.000 1.203 455 Y CB -0.345 38.239 38.460 0.205 0.000 0.977 455 Y HN 0.231 nan 8.280 nan 0.000 0.529 456 Y N -1.449 118.995 120.300 0.239 0.000 2.089 456 Y HA -0.245 4.305 4.550 -0.001 0.000 0.282 456 Y C 1.916 177.631 175.900 -0.309 0.000 1.139 456 Y CA 1.864 59.895 58.100 -0.114 0.000 1.123 456 Y CB -0.390 37.908 38.460 -0.269 0.000 0.980 456 Y HN 0.141 nan 8.280 nan 0.000 0.493 457 H N -1.343 117.948 119.070 0.368 0.000 2.649 457 H HA 0.124 4.679 4.556 -0.001 0.000 0.258 457 H C 1.193 176.648 175.328 0.212 0.000 1.165 457 H CA -0.200 56.001 56.048 0.255 0.000 1.006 457 H CB -0.544 29.395 29.762 0.295 0.000 1.743 457 H HN 0.434 nan 8.280 nan 0.000 0.609 458 F N 1.981 122.004 119.950 0.122 0.000 2.451 458 F HA -0.146 4.381 4.527 -0.001 0.000 0.299 458 F C 1.796 177.643 175.800 0.079 0.000 1.101 458 F CA 0.630 58.587 58.000 -0.072 0.000 1.436 458 F CB -0.306 38.712 39.000 0.030 0.000 1.074 458 F HN -0.034 nan 8.300 nan 0.000 0.553 459 N N 0.724 119.177 118.700 -0.412 0.000 2.334 459 N HA -0.248 4.492 4.740 -0.001 0.000 0.187 459 N C 0.966 176.486 175.510 0.017 0.000 1.016 459 N CA 1.623 54.571 53.050 -0.170 0.000 0.879 459 N CB -1.045 37.377 38.487 -0.108 0.000 0.965 459 N HN 0.465 nan 8.380 nan 0.000 0.438 460 E N -0.360 119.922 120.200 0.137 0.000 2.516 460 E HA -0.021 4.328 4.350 -0.001 0.000 0.199 460 E C 0.965 177.653 176.600 0.147 0.000 1.069 460 E CA -0.042 56.465 56.400 0.179 0.000 0.876 460 E CB -0.546 29.274 29.700 0.201 0.000 0.843 460 E HN 0.480 nan 8.360 nan 0.000 0.530 461 F N 1.824 121.769 119.950 -0.009 0.000 2.250 461 F HA -0.232 4.295 4.527 -0.000 0.000 0.301 461 F C 2.554 178.275 175.800 -0.133 0.000 1.077 461 F CA 1.491 59.388 58.000 -0.172 0.000 1.348 461 F CB -0.069 38.477 39.000 -0.756 0.000 1.040 461 F HN 0.103 nan 8.300 nan 0.000 0.509 462 R N -0.048 120.489 120.500 0.062 0.000 2.096 462 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 462 R C 1.795 178.208 176.300 0.188 0.000 1.127 462 R CA 1.841 58.092 56.100 0.252 0.000 0.968 462 R CB -1.222 29.270 30.300 0.319 0.000 0.861 462 R HN 0.192 nan 8.270 nan 0.000 0.440 463 V N 1.646 121.658 119.914 0.163 0.000 2.307 463 V HA -0.168 3.951 4.120 -0.001 0.000 0.245 463 V C 2.761 178.961 176.094 0.177 0.000 1.045 463 V CA 1.881 64.301 62.300 0.200 0.000 1.024 463 V CB -0.750 31.150 31.823 0.128 0.000 0.651 463 V HN 0.595 nan 8.190 nan 0.000 0.449 464 A N -0.229 122.652 122.820 0.101 0.000 1.908 464 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 464 A C 2.381 180.055 177.584 0.150 0.000 1.181 464 A CA 2.278 54.366 52.037 0.085 0.000 0.627 464 A CB -0.660 18.378 19.000 0.063 0.000 0.818 464 A HN 0.344 nan 8.150 nan 0.000 0.445 465 V N -0.311 119.721 119.914 0.196 0.000 2.323 465 V HA -0.215 3.905 4.120 -0.001 0.000 0.244 465 V C 2.518 178.661 176.094 0.080 0.000 1.041 465 V CA 2.140 64.543 62.300 0.172 0.000 1.025 465 V CB -0.659 31.301 31.823 0.228 0.000 0.656 465 V HN 0.772 nan 8.190 nan 0.000 0.451 466 E N -0.529 119.688 120.200 0.027 0.000 2.077 466 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 466 E C 1.904 178.339 176.600 -0.276 0.000 0.989 466 E CA 1.268 57.576 56.400 -0.154 0.000 0.800 466 E CB -0.037 29.504 29.700 -0.266 0.000 0.746 466 E HN 0.691 nan 8.360 nan 0.000 0.452 467 H N 0.181 119.272 119.070 0.035 0.000 2.526 467 H HA 0.169 4.725 4.556 -0.000 0.000 0.274 467 H C -0.071 175.266 175.328 0.016 0.000 0.999 467 H CA 0.366 56.423 56.048 0.015 0.000 1.157 467 H CB 0.349 30.112 29.762 0.001 0.000 1.407 467 H HN 0.109 nan 8.280 nan 0.000 0.568 468 K N 0.865 121.318 120.400 0.088 0.000 3.393 468 K HA -0.153 4.167 4.320 -0.001 0.000 0.272 468 K C -0.756 175.878 176.600 0.057 0.000 1.004 468 K CA 0.128 56.454 56.287 0.065 0.000 0.764 468 K CB -1.632 30.895 32.500 0.045 0.000 1.373 468 K HN 0.269 nan 8.250 nan 0.000 0.458 469 L N 1.709 122.966 121.223 0.056 0.000 2.321 469 L HA 0.250 4.590 4.340 -0.001 0.000 0.272 469 L C -1.588 175.284 176.870 0.002 0.000 1.050 469 L CA -1.751 53.096 54.840 0.011 0.000 0.893 469 L CB 0.608 42.657 42.059 -0.017 0.000 1.272 469 L HN -0.030 nan 8.230 nan 0.000 0.435 470 P HA 0.087 nan 4.420 nan 0.000 0.212 470 P C 0.125 177.396 177.300 -0.049 0.000 1.816 470 P CA -0.140 62.959 63.100 -0.003 0.000 0.944 470 P CB 0.240 31.930 31.700 -0.018 0.000 1.896 471 V N 2.699 122.585 119.914 -0.046 0.000 2.673 471 V HA -0.044 4.075 4.120 -0.001 0.000 0.303 471 V C 1.165 177.251 176.094 -0.014 0.000 1.046 471 V CA 0.459 62.715 62.300 -0.074 0.000 1.126 471 V CB 0.212 31.978 31.823 -0.095 0.000 0.934 471 V HN 0.245 nan 8.190 nan 0.000 0.487 472 I N 4.492 125.010 120.570 -0.088 0.000 2.287 472 I HA 0.246 4.416 4.170 -0.001 0.000 0.290 472 I C 0.483 176.640 176.117 0.068 0.000 1.069 472 I CA 0.207 61.503 61.300 -0.006 0.000 1.237 472 I CB 0.543 38.498 38.000 -0.076 0.000 1.418 472 I HN 0.567 nan 8.210 nan 0.000 0.481 473 T N 7.806 122.416 114.554 0.093 0.000 2.749 473 T HA 0.500 4.850 4.350 -0.001 0.000 0.287 473 T C 0.373 175.031 174.700 -0.071 0.000 0.970 473 T CA -0.427 61.691 62.100 0.031 0.000 0.980 473 T CB 0.957 69.870 68.868 0.074 0.000 0.924 473 T HN 0.338 nan 8.240 nan 0.000 0.456 474 M N 3.465 122.942 119.600 -0.205 0.000 2.080 474 M HA 0.349 4.828 4.480 -0.001 0.000 0.350 474 M C -0.200 175.674 176.300 -0.709 0.000 1.173 474 M CA -0.722 54.330 55.300 -0.413 0.000 1.052 474 M CB 1.428 33.726 32.600 -0.503 0.000 1.577 474 M HN 0.288 nan 8.290 nan 0.000 0.455 475 V N 5.990 125.564 119.914 -0.568 0.000 2.348 475 V HA 0.370 4.489 4.120 -0.001 0.000 0.270 475 V C -0.867 174.968 176.094 -0.433 0.000 1.037 475 V CA -0.263 61.672 62.300 -0.608 0.000 0.872 475 V CB 0.122 31.490 31.823 -0.757 0.000 1.002 475 V HN 0.642 nan 8.190 nan 0.000 0.464 476 F N 5.561 125.389 119.950 -0.203 0.000 2.434 476 F HA 0.325 4.852 4.527 -0.001 0.000 0.358 476 F C 1.167 176.911 175.800 -0.093 0.000 1.136 476 F CA -0.516 57.406 58.000 -0.131 0.000 1.157 476 F CB 1.015 39.937 39.000 -0.130 0.000 1.167 476 F HN 0.568 nan 8.300 nan 0.000 0.539 477 T N -0.348 114.274 114.554 0.114 0.000 2.767 477 T HA 0.298 4.648 4.350 -0.001 0.000 0.288 477 T C 0.254 174.979 174.700 0.041 0.000 0.963 477 T CA -0.828 61.326 62.100 0.091 0.000 1.019 477 T CB 1.153 70.090 68.868 0.115 0.000 0.923 477 T HN 0.616 nan 8.240 nan 0.000 0.468 478 N N 0.713 119.411 118.700 -0.003 0.000 2.116 478 N HA 0.120 4.859 4.740 -0.001 0.000 0.230 478 N C -0.282 175.097 175.510 -0.219 0.000 1.326 478 N CA -0.485 52.505 53.050 -0.100 0.000 0.867 478 N CB -0.084 38.341 38.487 -0.104 0.000 1.174 478 N HN 0.677 nan 8.380 nan 0.000 0.506 479 E N -0.645 119.404 120.200 -0.252 0.000 2.440 479 E HA -0.196 4.153 4.350 -0.001 0.000 0.246 479 E C -1.044 174.992 176.600 -0.939 0.000 1.165 479 E CA 1.068 57.151 56.400 -0.528 0.000 0.726 479 E CB -1.842 27.685 29.700 -0.289 0.000 1.271 479 E HN 0.474 nan 8.360 nan 0.000 0.397 480 S N -1.287 113.844 115.700 -0.948 0.000 2.552 480 S HA 0.474 4.943 4.470 -0.001 0.000 0.272 480 S C -1.438 173.066 174.600 -0.159 0.000 1.150 480 S CA -0.843 56.990 58.200 -0.612 0.000 0.849 480 S CB 0.667 63.713 63.200 -0.257 0.000 1.113 480 S HN 0.210 nan 8.310 nan 0.000 0.458 481 Y N 2.675 123.171 120.300 0.327 0.000 2.568 481 Y HA 0.231 4.780 4.550 -0.001 0.000 0.338 481 Y C 1.795 177.871 175.900 0.294 0.000 1.245 481 Y CA 0.005 58.339 58.100 0.389 0.000 1.667 481 Y CB 0.085 38.791 38.460 0.409 0.000 1.568 481 Y HN 0.898 nan 8.280 nan 0.000 0.471 482 G N 1.243 110.243 108.800 0.334 0.000 2.408 482 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.217 482 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.217 482 G C 1.787 176.872 174.900 0.308 0.000 1.150 482 G CA 0.867 46.127 45.100 0.266 0.000 0.776 482 G HN 0.669 nan 8.290 nan 0.000 0.542 483 A N 1.560 124.543 122.820 0.271 0.000 1.908 483 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 483 A C 2.267 179.987 177.584 0.227 0.000 1.181 483 A CA 1.857 54.021 52.037 0.212 0.000 0.627 483 A CB -0.451 18.646 19.000 0.162 0.000 0.818 483 A HN 0.416 nan 8.150 nan 0.000 0.445 484 N N -1.857 117.011 118.700 0.279 0.000 2.216 484 N HA -0.173 4.567 4.740 -0.001 0.000 0.183 484 N C 1.628 177.294 175.510 0.260 0.000 1.017 484 N CA 1.416 54.615 53.050 0.248 0.000 0.861 484 N CB -0.415 38.233 38.487 0.269 0.000 0.986 484 N HN 0.789 nan 8.380 nan 0.000 0.428 485 W N 2.662 124.064 121.300 0.170 0.000 2.335 485 W HA -0.186 4.474 4.660 -0.000 0.000 0.311 485 W C 2.141 178.723 176.519 0.106 0.000 1.213 485 W CA 1.911 59.336 57.345 0.133 0.000 1.274 485 W CB -0.488 29.035 29.460 0.106 0.000 1.148 485 W HN -0.075 nan 8.180 nan 0.000 0.498 486 T N 1.301 116.104 114.554 0.415 0.000 2.737 486 T HA -0.193 4.156 4.350 -0.001 0.000 0.265 486 T C 1.876 176.603 174.700 0.046 0.000 1.038 486 T CA 1.872 64.133 62.100 0.268 0.000 1.144 486 T CB -0.661 68.395 68.868 0.314 0.000 0.866 486 T HN 0.136 nan 8.240 nan 0.000 0.434 487 L N 0.135 121.392 121.223 0.057 0.000 2.056 487 L HA 0.010 4.349 4.340 -0.001 0.000 0.207 487 L C 2.731 179.572 176.870 -0.048 0.000 1.078 487 L CA 1.161 56.002 54.840 0.002 0.000 0.749 487 L CB -0.558 41.504 42.059 0.005 0.000 0.901 487 L HN 0.268 nan 8.230 nan 0.000 0.433 488 M N -0.391 119.190 119.600 -0.031 0.000 2.175 488 M HA -0.189 4.291 4.480 -0.001 0.000 0.264 488 M C 1.879 178.125 176.300 -0.091 0.000 1.063 488 M CA 1.818 57.118 55.300 0.000 0.000 1.119 488 M CB -0.623 32.039 32.600 0.103 0.000 1.377 488 M HN 0.275 nan 8.290 nan 0.000 0.415 489 N N -0.511 118.038 118.700 -0.252 0.000 2.104 489 N HA -0.218 4.521 4.740 -0.001 0.000 0.190 489 N C 1.684 177.089 175.510 -0.176 0.000 1.024 489 N CA 1.417 54.273 53.050 -0.323 0.000 0.853 489 N CB -0.196 37.897 38.487 -0.656 0.000 1.008 489 N HN 0.344 nan 8.380 nan 0.000 0.424 490 H N 0.271 119.215 119.070 -0.211 0.000 2.357 490 H HA 0.011 4.566 4.556 -0.001 0.000 0.301 490 H C 2.124 177.309 175.328 -0.239 0.000 1.082 490 H CA 1.492 57.434 56.048 -0.176 0.000 1.342 490 H CB 0.114 29.794 29.762 -0.136 0.000 1.389 490 H HN 0.200 nan 8.280 nan 0.000 0.511 491 Q N -1.179 118.442 119.800 -0.299 0.000 2.079 491 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 491 Q C 0.606 176.166 176.000 -0.734 0.000 0.974 491 Q CA 1.753 57.169 55.803 -0.645 0.000 0.840 491 Q CB 0.203 28.309 28.738 -1.054 0.000 0.898 491 Q HN 0.484 nan 8.270 nan 0.000 0.430 492 F N -2.737 117.143 119.950 -0.116 0.000 2.784 492 F HA 0.399 4.925 4.527 -0.001 0.000 0.323 492 F C 1.244 176.969 175.800 -0.125 0.000 1.085 492 F CA 0.321 58.252 58.000 -0.115 0.000 1.196 492 F CB 0.984 39.916 39.000 -0.113 0.000 1.053 492 F HN 0.131 nan 8.300 nan 0.000 0.578 493 G N 0.835 109.618 108.800 -0.027 0.000 2.159 493 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.256 493 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.256 493 G C 0.138 175.003 174.900 -0.058 0.000 0.977 493 G CA 0.408 45.472 45.100 -0.061 0.000 0.652 493 G HN 0.473 nan 8.290 nan 0.000 0.531 494 Q N 0.176 119.954 119.800 -0.036 0.000 2.378 494 Q HA 0.346 4.686 4.340 -0.001 0.000 0.262 494 Q C -0.734 175.222 176.000 -0.073 0.000 0.978 494 Q CA -0.740 55.024 55.803 -0.065 0.000 0.918 494 Q CB 0.962 29.685 28.738 -0.026 0.000 1.415 494 Q HN 0.413 nan 8.270 nan 0.000 0.409 495 N N 2.904 121.502 118.700 -0.170 0.000 2.530 495 N HA 0.312 5.052 4.740 -0.001 0.000 0.277 495 N C -1.052 174.461 175.510 0.004 0.000 1.168 495 N CA -0.153 52.826 53.050 -0.119 0.000 0.979 495 N CB 0.896 39.223 38.487 -0.265 0.000 1.141 495 N HN 0.542 nan 8.380 nan 0.000 0.459 496 N N 0.699 119.417 118.700 0.029 0.000 2.287 496 N HA 0.177 4.917 4.740 -0.001 0.000 0.289 496 N C -0.704 174.953 175.510 0.246 0.000 1.066 496 N CA -0.199 52.903 53.050 0.087 0.000 0.841 496 N CB 0.993 39.412 38.487 -0.113 0.000 1.599 496 N HN 0.681 nan 8.380 nan 0.000 0.476 497 W N -0.518 120.863 121.300 0.134 0.000 2.829 497 W HA -0.210 4.449 4.660 -0.000 0.000 0.293 497 W C 1.402 178.116 176.519 0.324 0.000 1.133 497 W CA 0.935 58.389 57.345 0.182 0.000 0.572 497 W CB -2.691 26.844 29.460 0.126 0.000 2.175 497 W HN 0.684 nan 8.180 nan 0.000 1.311 498 T N -4.079 110.794 114.554 0.531 0.000 2.990 498 T HA 0.192 4.542 4.350 -0.001 0.000 0.249 498 T C 0.570 175.511 174.700 0.403 0.000 1.039 498 T CA 0.419 62.870 62.100 0.586 0.000 1.036 498 T CB 0.781 69.951 68.868 0.504 0.000 0.994 498 T HN -0.085 nan 8.240 nan 0.000 0.489 499 E N 1.713 122.076 120.200 0.272 0.000 2.214 499 E HA 0.638 4.988 4.350 -0.001 0.000 0.274 499 E C -0.771 175.852 176.600 0.038 0.000 0.977 499 E CA -0.740 55.669 56.400 0.016 0.000 0.827 499 E CB 1.599 31.340 29.700 0.067 0.000 1.130 499 E HN 0.587 nan 8.360 nan 0.000 0.394 500 F N -1.626 118.305 119.950 -0.033 0.000 2.713 500 F HA 0.523 5.049 4.527 -0.001 0.000 0.311 500 F C -0.714 175.070 175.800 -0.026 0.000 1.141 500 F CA -1.272 56.694 58.000 -0.058 0.000 0.939 500 F CB 0.782 39.686 39.000 -0.159 0.000 1.325 500 F HN 0.179 nan 8.300 nan 0.000 0.453 501 M N 2.250 122.000 119.600 0.250 0.000 2.274 501 M HA 0.342 4.822 4.480 -0.001 0.000 0.344 501 M C -0.539 175.975 176.300 0.355 0.000 1.161 501 M CA -0.482 54.927 55.300 0.182 0.000 1.126 501 M CB 0.924 33.575 32.600 0.085 0.000 1.522 501 M HN 0.525 nan 8.290 nan 0.000 0.461 502 N N 2.615 121.442 118.700 0.212 0.000 2.456 502 N HA 0.539 5.279 4.740 -0.001 0.000 0.296 502 N C -2.403 172.980 175.510 -0.211 0.000 1.102 502 N CA -1.079 52.028 53.050 0.095 0.000 0.924 502 N CB 1.070 39.639 38.487 0.137 0.000 1.186 502 N HN 0.397 nan 8.380 nan 0.000 0.492 503 P HA 0.055 nan 4.420 nan 0.000 0.275 503 P C -0.570 176.372 177.300 -0.596 0.000 1.266 503 P CA -0.279 62.457 63.100 -0.606 0.000 0.793 503 P CB 0.545 31.713 31.700 -0.887 0.000 1.074 504 D N -0.312 119.862 120.400 -0.376 0.000 2.357 504 D HA -0.016 4.623 4.640 -0.001 0.000 0.265 504 D C 0.676 176.815 176.300 -0.268 0.000 1.334 504 D CA 0.046 53.901 54.000 -0.243 0.000 0.984 504 D CB -0.541 40.166 40.800 -0.155 0.000 1.077 504 D HN 0.258 nan 8.370 nan 0.000 0.514 505 W N 2.696 123.886 121.300 -0.182 0.000 2.402 505 W HA -0.139 4.521 4.660 -0.000 0.000 0.286 505 W C 2.240 178.628 176.519 -0.219 0.000 1.221 505 W CA 0.068 57.267 57.345 -0.243 0.000 1.257 505 W CB -0.036 29.277 29.460 -0.245 0.000 1.120 505 W HN 0.300 nan 8.180 nan 0.000 0.551 506 V N 0.396 120.330 119.914 0.035 0.000 2.343 506 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 506 V C 2.400 178.439 176.094 -0.091 0.000 1.051 506 V CA 2.095 64.360 62.300 -0.058 0.000 1.036 506 V CB -1.584 30.195 31.823 -0.073 0.000 0.654 506 V HN 0.364 nan 8.190 nan 0.000 0.451 507 G N 0.084 108.828 108.800 -0.092 0.000 2.422 507 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.218 507 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.218 507 G C 1.487 176.331 174.900 -0.094 0.000 1.146 507 G CA 0.813 45.853 45.100 -0.100 0.000 0.769 507 G HN 0.371 nan 8.290 nan 0.000 0.547 508 I N 1.883 122.396 120.570 -0.096 0.000 2.127 508 I HA -0.175 3.995 4.170 -0.001 0.000 0.241 508 I C 3.285 179.416 176.117 0.023 0.000 1.075 508 I CA 1.387 62.675 61.300 -0.019 0.000 1.334 508 I CB -1.364 36.603 38.000 -0.055 0.000 1.040 508 I HN 0.271 nan 8.210 nan 0.000 0.405 509 A N 0.958 123.709 122.820 -0.116 0.000 1.883 509 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 509 A C 2.356 179.873 177.584 -0.112 0.000 1.186 509 A CA 1.787 53.662 52.037 -0.270 0.000 0.624 509 A CB -0.588 18.230 19.000 -0.304 0.000 0.822 509 A HN 0.382 nan 8.150 nan 0.000 0.444 510 K N -0.328 120.012 120.400 -0.100 0.000 2.097 510 K HA -0.053 4.267 4.320 -0.001 0.000 0.206 510 K C 2.169 178.738 176.600 -0.051 0.000 1.049 510 K CA 1.061 57.303 56.287 -0.075 0.000 0.933 510 K CB -0.322 32.121 32.500 -0.094 0.000 0.717 510 K HN 0.451 nan 8.250 nan 0.000 0.442 511 A N 0.338 123.115 122.820 -0.072 0.000 2.070 511 A HA -0.094 4.225 4.320 -0.001 0.000 0.220 511 A C 1.617 179.080 177.584 -0.201 0.000 1.159 511 A CA 1.092 53.043 52.037 -0.144 0.000 0.656 511 A CB -0.467 18.415 19.000 -0.197 0.000 0.800 511 A HN 0.236 nan 8.150 nan 0.000 0.453 512 F N -0.997 118.930 119.950 -0.039 0.000 2.765 512 F HA 0.314 4.841 4.527 -0.000 0.000 0.302 512 F C 1.831 177.644 175.800 0.021 0.000 1.111 512 F CA 0.751 58.758 58.000 0.012 0.000 1.359 512 F CB 0.342 39.357 39.000 0.025 0.000 1.097 512 F HN 0.365 nan 8.300 nan 0.000 0.577 513 G N 0.758 109.632 108.800 0.124 0.000 2.143 513 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.248 513 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.248 513 G C 0.288 175.259 174.900 0.119 0.000 0.991 513 G CA -0.019 45.142 45.100 0.101 0.000 0.689 513 G HN 0.616 nan 8.290 nan 0.000 0.522 514 A N -0.778 122.102 122.820 0.100 0.000 2.271 514 A HA 0.696 5.016 4.320 -0.001 0.000 0.288 514 A C 0.021 177.646 177.584 0.070 0.000 1.094 514 A CA -0.388 51.710 52.037 0.103 0.000 0.828 514 A CB 0.593 19.596 19.000 0.006 0.000 1.091 514 A HN 1.297 nan 8.150 nan 0.000 0.493 515 Y N 0.481 120.805 120.300 0.039 0.000 2.377 515 Y HA 0.440 4.989 4.550 -0.001 0.000 0.330 515 Y C 0.677 176.576 175.900 -0.001 0.000 1.108 515 Y CA 0.870 58.983 58.100 0.022 0.000 1.308 515 Y CB 0.539 39.020 38.460 0.036 0.000 1.216 515 Y HN 0.697 nan 8.280 nan 0.000 0.518 516 G N 5.158 113.526 108.800 -0.720 0.000 2.617 516 G HA2 0.509 4.468 3.960 -0.001 0.000 0.306 516 G HA3 0.509 4.468 3.960 -0.001 0.000 0.306 516 G C -1.968 172.595 174.900 -0.561 0.000 1.360 516 G CA -0.759 44.069 45.100 -0.452 0.000 0.983 516 G HN 0.656 nan 8.290 nan 0.000 0.496 517 E N 0.422 120.482 120.200 -0.234 0.000 2.363 517 E HA 0.510 4.860 4.350 -0.001 0.000 0.281 517 E C -1.394 175.192 176.600 -0.023 0.000 0.953 517 E CA -0.631 55.704 56.400 -0.109 0.000 0.778 517 E CB 2.155 31.885 29.700 0.052 0.000 1.220 517 E HN 0.476 nan 8.360 nan 0.000 0.431 518 S N 2.118 117.810 115.700 -0.014 0.000 2.475 518 S HA 0.356 4.826 4.470 -0.001 0.000 0.298 518 S C 0.388 174.999 174.600 0.019 0.000 1.119 518 S CA -0.410 57.794 58.200 0.008 0.000 1.085 518 S CB 1.411 64.614 63.200 0.005 0.000 1.028 518 S HN 0.569 nan 8.310 nan 0.000 0.489 519 V N 4.237 124.168 119.914 0.027 0.000 3.444 519 V HA 0.400 4.519 4.120 -0.001 0.000 0.308 519 V C 1.845 177.951 176.094 0.021 0.000 1.371 519 V CA 0.270 62.587 62.300 0.029 0.000 1.141 519 V CB -0.744 31.102 31.823 0.038 0.000 1.037 519 V HN 0.901 nan 8.190 nan 0.000 0.433 520 R N 0.951 121.462 120.500 0.018 0.000 2.117 520 R HA -0.156 4.183 4.340 -0.001 0.000 0.243 520 R C 1.943 178.246 176.300 0.005 0.000 1.143 520 R CA 2.289 58.396 56.100 0.012 0.000 0.968 520 R CB 0.144 30.450 30.300 0.010 0.000 0.863 520 R HN 0.608 nan 8.270 nan 0.000 0.444 521 E N -1.327 118.876 120.200 0.004 0.000 2.389 521 E HA -0.014 4.335 4.350 -0.001 0.000 0.199 521 E C 1.708 178.310 176.600 0.003 0.000 0.978 521 E CA 1.344 57.745 56.400 0.001 0.000 0.912 521 E CB 0.635 30.335 29.700 -0.001 0.000 0.907 521 E HN 0.537 nan 8.360 nan 0.000 0.494 522 T N -3.200 111.359 114.554 0.008 0.000 3.023 522 T HA 0.268 4.618 4.350 -0.001 0.000 0.249 522 T C 1.681 176.388 174.700 0.011 0.000 1.050 522 T CA 0.767 62.873 62.100 0.010 0.000 1.088 522 T CB 0.335 69.213 68.868 0.016 0.000 0.946 522 T HN 0.174 nan 8.240 nan 0.000 0.480 523 G N 1.871 110.679 108.800 0.013 0.000 2.166 523 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.260 523 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.260 523 G C 0.057 174.968 174.900 0.019 0.000 0.986 523 G CA 0.396 45.504 45.100 0.014 0.000 0.683 523 G HN 0.687 nan 8.290 nan 0.000 0.527 524 D N 0.326 120.741 120.400 0.024 0.000 2.713 524 D HA 0.404 5.043 4.640 -0.001 0.000 0.229 524 D C 1.910 178.233 176.300 0.038 0.000 1.136 524 D CA -0.503 53.514 54.000 0.028 0.000 1.010 524 D CB -0.635 40.183 40.800 0.030 0.000 1.084 524 D HN 0.383 nan 8.370 nan 0.000 0.495 525 I N 0.807 121.399 120.570 0.036 0.000 2.163 525 I HA -0.293 3.877 4.170 -0.001 0.000 0.243 525 I C 2.356 178.499 176.117 0.043 0.000 1.085 525 I CA 1.111 62.439 61.300 0.046 0.000 1.347 525 I CB -0.181 37.846 38.000 0.046 0.000 1.044 525 I HN 0.292 nan 8.210 nan 0.000 0.408 526 A N 1.008 123.846 122.820 0.030 0.000 1.883 526 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 526 A C 2.451 180.053 177.584 0.031 0.000 1.186 526 A CA 2.054 54.106 52.037 0.025 0.000 0.624 526 A CB -1.483 17.526 19.000 0.014 0.000 0.822 526 A HN 0.473 nan 8.150 nan 0.000 0.444 527 G N -0.733 108.087 108.800 0.032 0.000 2.402 527 G HA2 0.038 3.998 3.960 -0.001 0.000 0.216 527 G HA3 0.038 3.998 3.960 -0.001 0.000 0.216 527 G C 1.733 176.660 174.900 0.046 0.000 1.162 527 G CA 1.405 46.525 45.100 0.034 0.000 0.777 527 G HN 0.804 nan 8.290 nan 0.000 0.539 528 A N 0.588 123.449 122.820 0.067 0.000 1.902 528 A HA 0.101 4.421 4.320 -0.001 0.000 0.217 528 A C 2.432 180.062 177.584 0.075 0.000 1.181 528 A CA 1.223 53.323 52.037 0.105 0.000 0.623 528 A CB -0.404 18.666 19.000 0.117 0.000 0.818 528 A HN 0.351 nan 8.150 nan 0.000 0.443 529 L N -0.766 120.498 121.223 0.069 0.000 2.046 529 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 529 L C 2.952 179.842 176.870 0.033 0.000 1.077 529 L CA 1.288 56.176 54.840 0.080 0.000 0.747 529 L CB -0.528 41.593 42.059 0.103 0.000 0.896 529 L HN 0.379 nan 8.230 nan 0.000 0.432 530 Q N 0.078 119.887 119.800 0.015 0.000 2.050 530 Q HA -0.197 4.143 4.340 -0.001 0.000 0.202 530 Q C 2.354 178.304 176.000 -0.082 0.000 0.980 530 Q CA 1.627 57.422 55.803 -0.013 0.000 0.840 530 Q CB -0.319 28.417 28.738 -0.003 0.000 0.898 530 Q HN 0.487 nan 8.270 nan 0.000 0.424 531 R N 0.166 120.597 120.500 -0.115 0.000 2.096 531 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 531 R C 2.280 178.218 176.300 -0.604 0.000 1.127 531 R CA 1.179 57.118 56.100 -0.269 0.000 0.968 531 R CB -0.379 29.824 30.300 -0.162 0.000 0.861 531 R HN 0.232 nan 8.270 nan 0.000 0.440 532 A N 1.276 123.793 122.820 -0.505 0.000 1.877 532 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 532 A C 2.157 179.587 177.584 -0.256 0.000 1.186 532 A CA 1.235 52.986 52.037 -0.477 0.000 0.620 532 A CB -0.491 18.462 19.000 -0.078 0.000 0.822 532 A HN 0.173 nan 8.150 nan 0.000 0.443 533 I N -0.019 120.467 120.570 -0.140 0.000 2.179 533 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 533 I C 1.673 177.732 176.117 -0.097 0.000 1.088 533 I CA 1.598 62.848 61.300 -0.084 0.000 1.357 533 I CB -0.435 37.553 38.000 -0.019 0.000 1.051 533 I HN 0.248 nan 8.210 nan 0.000 0.409 534 D N 0.215 120.543 120.400 -0.120 0.000 2.219 534 D HA -0.124 4.516 4.640 -0.001 0.000 0.205 534 D C 2.345 178.586 176.300 -0.099 0.000 0.970 534 D CA 1.471 55.416 54.000 -0.092 0.000 0.851 534 D CB -0.171 40.580 40.800 -0.082 0.000 0.943 534 D HN 0.353 nan 8.370 nan 0.000 0.488 535 S N -0.277 115.323 115.700 -0.168 0.000 2.419 535 S HA -0.027 4.442 4.470 -0.001 0.000 0.233 535 S C 1.981 176.566 174.600 -0.026 0.000 1.016 535 S CA 1.306 59.445 58.200 -0.102 0.000 0.974 535 S CB -0.445 62.665 63.200 -0.150 0.000 0.786 535 S HN 0.322 nan 8.310 nan 0.000 0.492 536 G N 0.871 109.650 108.800 -0.034 0.000 2.175 536 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.265 536 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.265 536 G C 0.087 175.001 174.900 0.023 0.000 0.979 536 G CA 0.732 45.828 45.100 -0.007 0.000 0.663 536 G HN 0.568 nan 8.290 nan 0.000 0.533 537 K N 0.432 120.862 120.400 0.050 0.000 2.139 537 K HA 0.551 4.870 4.320 -0.001 0.000 0.243 537 K C -2.361 174.314 176.600 0.124 0.000 0.983 537 K CA -2.339 54.010 56.287 0.103 0.000 0.890 537 K CB 0.914 33.507 32.500 0.155 0.000 1.090 537 K HN 0.015 nan 8.250 nan 0.000 0.445 538 P HA 0.057 nan 4.420 nan 0.000 0.266 538 P C -1.131 176.354 177.300 0.308 0.000 1.195 538 P CA -0.012 63.237 63.100 0.248 0.000 0.768 538 P CB 0.480 32.398 31.700 0.364 0.000 0.838 539 A N 2.725 125.727 122.820 0.303 0.000 2.454 539 A HA 0.717 5.037 4.320 -0.001 0.000 0.302 539 A C -1.626 176.120 177.584 0.270 0.000 1.079 539 A CA -0.649 51.570 52.037 0.303 0.000 0.731 539 A CB 1.274 20.433 19.000 0.265 0.000 1.299 539 A HN 0.484 nan 8.150 nan 0.000 0.413 540 L N 2.098 123.426 121.223 0.175 0.000 2.404 540 L HA 0.681 5.020 4.340 -0.001 0.000 0.272 540 L C -1.400 175.484 176.870 0.025 0.000 0.980 540 L CA -0.177 54.701 54.840 0.064 0.000 0.836 540 L CB 1.179 43.216 42.059 -0.037 0.000 1.238 540 L HN 0.583 nan 8.230 nan 0.000 0.408 541 I N 4.122 124.691 120.570 -0.001 0.000 2.354 541 I HA 0.348 4.517 4.170 -0.001 0.000 0.286 541 I C -0.105 175.970 176.117 -0.069 0.000 1.007 541 I CA -0.510 60.793 61.300 0.006 0.000 1.167 541 I CB 1.711 39.738 38.000 0.046 0.000 1.320 541 I HN 0.605 nan 8.210 nan 0.000 0.458 542 E N 7.754 127.930 120.200 -0.040 0.000 2.152 542 E HA 0.407 4.756 4.350 -0.001 0.000 0.285 542 E C -1.010 175.591 176.600 0.002 0.000 1.043 542 E CA -0.331 56.046 56.400 -0.038 0.000 0.839 542 E CB 0.772 30.490 29.700 0.031 0.000 1.069 542 E HN 0.513 nan 8.360 nan 0.000 0.399 543 I N 7.241 127.818 120.570 0.011 0.000 2.448 543 I HA 0.284 4.453 4.170 -0.001 0.000 0.281 543 I C -2.320 173.867 176.117 0.117 0.000 1.027 543 I CA -2.562 58.791 61.300 0.088 0.000 1.111 543 I CB 1.654 39.758 38.000 0.175 0.000 1.236 543 I HN 0.352 nan 8.210 nan 0.000 0.452 544 P HA 0.123 nan 4.420 nan 0.000 0.271 544 P C -0.557 176.765 177.300 0.038 0.000 1.216 544 P CA -0.053 63.076 63.100 0.048 0.000 0.771 544 P CB 0.963 32.674 31.700 0.019 0.000 0.864 545 V N -0.108 119.815 119.914 0.015 0.000 3.167 545 V HA 0.769 4.889 4.120 -0.001 0.000 0.310 545 V C -0.049 176.009 176.094 -0.059 0.000 1.207 545 V CA -1.065 61.215 62.300 -0.032 0.000 1.059 545 V CB 1.586 33.369 31.823 -0.067 0.000 1.079 545 V HN 0.546 nan 8.190 nan 0.000 0.446 546 S N 0.352 116.007 115.700 -0.075 0.000 2.600 546 S HA 0.341 4.811 4.470 -0.001 0.000 0.265 546 S C 0.643 175.176 174.600 -0.112 0.000 1.325 546 S CA 0.029 58.171 58.200 -0.098 0.000 1.002 546 S CB 0.659 63.813 63.200 -0.077 0.000 0.921 546 S HN 0.829 nan 8.310 nan 0.000 0.554 547 K N 0.134 120.416 120.400 -0.197 0.000 2.365 547 K HA -0.023 4.296 4.320 -0.001 0.000 0.199 547 K C 1.756 178.329 176.600 -0.045 0.000 1.045 547 K CA 1.390 57.541 56.287 -0.227 0.000 0.962 547 K CB -0.297 31.817 32.500 -0.642 0.000 0.759 547 K HN 0.904 nan 8.250 nan 0.000 0.469 548 T N -2.951 111.596 114.554 -0.011 0.000 2.969 548 T HA -0.011 4.338 4.350 -0.001 0.000 0.250 548 T C 0.802 175.548 174.700 0.078 0.000 1.021 548 T CA -0.421 61.736 62.100 0.095 0.000 1.003 548 T CB 0.137 69.085 68.868 0.134 0.000 1.040 548 T HN 0.016 nan 8.240 nan 0.000 0.492 549 Q N 1.437 121.259 119.800 0.036 0.000 2.300 549 Q HA 0.421 4.761 4.340 -0.001 0.000 0.280 549 Q C 0.761 176.791 176.000 0.049 0.000 1.033 549 Q CA 1.130 56.961 55.803 0.046 0.000 0.903 549 Q CB -0.168 28.572 28.738 0.004 0.000 1.195 549 Q HN 0.686 nan 8.270 nan 0.000 0.386 550 G N 2.380 111.239 108.800 0.099 0.000 2.395 550 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.201 550 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.201 550 G C 0.229 175.170 174.900 0.069 0.000 1.206 550 G CA -0.140 45.005 45.100 0.075 0.000 1.210 550 G HN 0.742 nan 8.290 nan 0.000 0.557 551 L N 0.788 122.012 121.223 0.003 0.000 2.021 551 L HA 0.062 4.402 4.340 -0.001 0.000 0.215 551 L C 3.051 179.947 176.870 0.043 0.000 1.074 551 L CA 3.395 58.230 54.840 -0.008 0.000 0.760 551 L CB -0.473 41.549 42.059 -0.061 0.000 0.889 551 L HN 1.221 nan 8.230 nan 0.000 0.433 552 A N -1.810 121.041 122.820 0.052 0.000 2.206 552 A HA -0.035 4.285 4.320 -0.001 0.000 0.211 552 A C 2.062 179.665 177.584 0.031 0.000 1.158 552 A CA 1.208 53.270 52.037 0.042 0.000 0.761 552 A CB -0.292 18.750 19.000 0.070 0.000 0.801 552 A HN 0.672 nan 8.150 nan 0.000 0.473 553 S N -2.018 113.718 115.700 0.060 0.000 2.769 553 S HA 0.134 4.603 4.470 -0.001 0.000 0.258 553 S C -0.106 174.550 174.600 0.093 0.000 1.080 553 S CA -0.262 57.976 58.200 0.063 0.000 0.943 553 S CB -0.027 63.227 63.200 0.089 0.000 0.893 553 S HN 0.244 nan 8.310 nan 0.000 0.490 554 D N 4.895 125.383 120.400 0.146 0.000 2.351 554 D HA 0.347 4.987 4.640 -0.001 0.000 0.251 554 D C -2.538 173.812 176.300 0.083 0.000 1.137 554 D CA -1.003 53.132 54.000 0.225 0.000 0.879 554 D CB 1.237 42.287 40.800 0.416 0.000 1.181 554 D HN 0.280 nan 8.370 nan 0.000 0.448 555 P HA 0.059 nan 4.420 nan 0.000 0.286 555 P C 0.329 177.465 177.300 -0.274 0.000 1.321 555 P CA -0.371 62.656 63.100 -0.121 0.000 0.790 555 P CB 0.912 32.547 31.700 -0.110 0.000 0.897 556 V N -0.209 119.600 119.914 -0.175 0.000 3.159 556 V HA 0.532 4.652 4.120 -0.001 0.000 0.333 556 V C 1.072 177.049 176.094 -0.194 0.000 1.424 556 V CA 0.330 62.509 62.300 -0.203 0.000 1.125 556 V CB -0.381 31.371 31.823 -0.118 0.000 1.075 556 V HN 0.689 nan 8.190 nan 0.000 0.482 557 G N -0.133 108.571 108.800 -0.161 0.000 2.136 557 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.242 557 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.242 557 G C 0.628 175.459 174.900 -0.115 0.000 0.989 557 G CA 0.119 45.130 45.100 -0.147 0.000 0.682 557 G HN 1.534 nan 8.290 nan 0.000 0.522 558 G N -1.133 107.619 108.800 -0.081 0.000 2.569 558 G HA2 0.575 4.535 3.960 -0.001 0.000 0.249 558 G HA3 0.575 4.535 3.960 -0.001 0.000 0.249 558 G C 1.198 176.061 174.900 -0.062 0.000 1.216 558 G CA 0.654 45.726 45.100 -0.048 0.000 0.845 558 G HN 1.425 nan 8.290 nan 0.000 0.568 559 V N -0.740 119.135 119.914 -0.066 0.000 3.604 559 V HA 0.664 4.784 4.120 -0.001 0.000 0.277 559 V C 0.898 176.935 176.094 -0.096 0.000 1.399 559 V CA 1.023 63.281 62.300 -0.072 0.000 1.034 559 V CB -0.155 31.634 31.823 -0.057 0.000 0.824 559 V HN 1.149 nan 8.190 nan 0.000 0.439 560 G N 0.372 109.087 108.800 -0.142 0.000 2.731 560 G HA2 0.620 4.579 3.960 -0.001 0.000 0.309 560 G HA3 0.620 4.579 3.960 -0.001 0.000 0.309 560 G C -3.308 171.299 174.900 -0.489 0.000 1.273 560 G CA -0.546 44.411 45.100 -0.238 0.000 0.798 560 G HN 0.138 nan 8.290 nan 0.000 0.509 561 P HA 0.196 nan 4.420 nan 0.000 0.293 561 P C -0.535 176.583 177.300 -0.304 0.000 1.298 561 P CA -0.429 62.401 63.100 -0.450 0.000 0.757 561 P CB 0.610 32.002 31.700 -0.514 0.000 1.262 562 N N -0.406 118.202 118.700 -0.154 0.000 3.298 562 N HA 0.096 4.836 4.740 -0.001 0.000 0.292 562 N C 0.948 176.410 175.510 -0.079 0.000 1.271 562 N CA 0.022 53.014 53.050 -0.097 0.000 1.184 562 N CB -1.223 37.241 38.487 -0.038 0.000 1.452 562 N HN 0.245 nan 8.380 nan 0.000 0.534 563 L N 0.101 121.246 121.223 -0.130 0.000 2.093 563 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 563 L C 0.760 177.601 176.870 -0.050 0.000 1.085 563 L CA 0.873 55.665 54.840 -0.081 0.000 0.755 563 L CB -0.084 41.900 42.059 -0.125 0.000 0.904 563 L HN 0.416 nan 8.230 nan 0.000 0.435 564 L N 1.148 122.328 121.223 -0.072 0.000 2.956 564 L HA 0.266 4.606 4.340 -0.001 0.000 0.232 564 L C 0.070 176.903 176.870 -0.063 0.000 1.291 564 L CA -0.496 54.296 54.840 -0.081 0.000 1.122 564 L CB 0.398 42.400 42.059 -0.096 0.000 1.461 564 L HN 0.175 nan 8.230 nan 0.000 0.470 565 L N 1.700 122.901 121.223 -0.036 0.000 2.514 565 L HA 0.067 4.407 4.340 -0.001 0.000 0.280 565 L C 0.042 176.900 176.870 -0.019 0.000 1.223 565 L CA 0.321 55.150 54.840 -0.018 0.000 0.864 565 L CB 0.272 42.333 42.059 0.004 0.000 1.118 565 L HN 0.236 nan 8.230 nan 0.000 0.494 566 K N 4.555 124.946 120.400 -0.015 0.000 2.185 566 K HA 0.395 4.715 4.320 -0.001 0.000 0.269 566 K C 0.078 176.679 176.600 0.001 0.000 0.987 566 K CA -0.276 56.004 56.287 -0.011 0.000 0.865 566 K CB 1.557 34.048 32.500 -0.015 0.000 1.090 566 K HN 0.817 nan 8.250 nan 0.000 0.450 567 G N 2.283 111.088 108.800 0.008 0.000 2.606 567 G HA2 0.235 4.195 3.960 -0.001 0.000 0.252 567 G HA3 0.235 4.195 3.960 -0.001 0.000 0.252 567 G C -0.313 174.592 174.900 0.008 0.000 1.206 567 G CA -0.466 44.641 45.100 0.012 0.000 0.861 567 G HN 0.445 nan 8.290 nan 0.000 0.561 568 R N -0.385 120.120 120.500 0.009 0.000 2.778 568 R HA 0.310 4.649 4.340 -0.001 0.000 0.277 568 R C -0.511 175.795 176.300 0.009 0.000 0.977 568 R CA -0.762 55.343 56.100 0.008 0.000 0.950 568 R CB 2.261 32.565 30.300 0.007 0.000 1.165 568 R HN 0.659 nan 8.270 nan 0.000 0.474 569 E N 2.615 122.820 120.200 0.008 0.000 2.223 569 E HA 0.130 4.479 4.350 -0.001 0.000 0.282 569 E C -0.559 176.048 176.600 0.011 0.000 1.046 569 E CA -0.369 56.036 56.400 0.010 0.000 0.857 569 E CB 0.599 30.304 29.700 0.008 0.000 1.055 569 E HN 0.236 nan 8.360 nan 0.000 0.409 570 I N 6.457 127.036 120.570 0.015 0.000 2.412 570 I HA 0.301 4.470 4.170 -0.001 0.000 0.296 570 I C -1.696 174.434 176.117 0.020 0.000 0.987 570 I CA -2.626 58.684 61.300 0.017 0.000 1.180 570 I CB 0.596 38.608 38.000 0.020 0.000 1.340 570 I HN 0.558 nan 8.210 nan 0.000 0.455 571 P HA 0.180 nan 4.420 nan 0.000 0.271 571 P C -0.230 177.086 177.300 0.028 0.000 1.218 571 P CA -0.201 62.911 63.100 0.020 0.000 0.780 571 P CB 0.834 32.541 31.700 0.013 0.000 0.901 572 V N -0.937 118.999 119.914 0.037 0.000 3.237 572 V HA 0.176 4.295 4.120 -0.001 0.000 0.305 572 V C 0.527 176.632 176.094 0.019 0.000 1.096 572 V CA -0.559 61.770 62.300 0.050 0.000 1.130 572 V CB 0.037 31.904 31.823 0.075 0.000 1.048 572 V HN 0.484 nan 8.190 nan 0.000 0.484 573 D N 1.215 121.613 120.400 -0.003 0.000 2.362 573 D HA 0.430 5.070 4.640 -0.001 0.000 0.242 573 D C 0.379 176.660 176.300 -0.031 0.000 1.132 573 D CA 0.555 54.534 54.000 -0.035 0.000 0.907 573 D CB 1.271 42.019 40.800 -0.086 0.000 1.195 573 D HN 1.138 nan 8.370 nan 0.000 0.429 574 T N -1.102 113.434 114.554 -0.030 0.000 2.919 574 T HA 0.775 5.125 4.350 -0.001 0.000 0.282 574 T C 0.507 175.187 174.700 -0.034 0.000 1.020 574 T CA -0.091 61.995 62.100 -0.023 0.000 0.994 574 T CB 1.219 70.079 68.868 -0.013 0.000 1.180 574 T HN 0.744 nan 8.240 nan 0.000 0.566 575 G N -0.819 107.965 108.800 -0.027 0.000 2.712 575 G HA2 0.251 4.211 3.960 -0.001 0.000 0.683 575 G HA3 0.251 4.211 3.960 -0.001 0.000 0.683 575 G C 0.496 175.374 174.900 -0.037 0.000 1.320 575 G CA -0.147 44.934 45.100 -0.032 0.000 0.847 575 G HN 1.566 nan 8.290 nan 0.000 0.553 576 G N -0.474 108.303 108.800 -0.039 0.000 3.042 576 G HA2 0.498 4.457 3.960 -0.001 0.000 0.212 576 G HA3 0.498 4.457 3.960 -0.001 0.000 0.212 576 G C 1.099 175.963 174.900 -0.059 0.000 1.166 576 G CA 1.516 46.591 45.100 -0.042 0.000 0.767 576 G HN 2.012 nan 8.290 nan 0.000 0.546 577 S N 0.045 115.701 115.700 -0.073 0.000 2.576 577 S HA 0.589 5.059 4.470 -0.001 0.000 0.276 577 S C 0.262 174.791 174.600 -0.118 0.000 1.339 577 S CA -0.378 57.769 58.200 -0.090 0.000 1.039 577 S CB 1.343 64.485 63.200 -0.097 0.000 0.902 577 S HN 0.111 nan 8.310 nan 0.000 0.516 578 M N 1.466 121.009 119.600 -0.096 0.000 2.613 578 M HA 0.432 4.912 4.480 -0.001 0.000 0.301 578 M C -0.887 175.353 176.300 -0.099 0.000 1.205 578 M CA -0.722 54.544 55.300 -0.057 0.000 0.950 578 M CB 0.973 33.585 32.600 0.020 0.000 1.585 578 M HN 0.704 nan 8.290 nan 0.000 0.490 579 Y N 0.194 120.512 120.300 0.031 0.000 2.300 579 Y HA 0.274 4.824 4.550 -0.001 0.000 0.328 579 Y C -1.841 174.072 175.900 0.022 0.000 1.270 579 Y CA -1.646 56.467 58.100 0.023 0.000 1.352 579 Y CB -0.132 38.342 38.460 0.024 0.000 1.286 579 Y HN 0.364 nan 8.280 nan 0.000 0.536 580 P HA 0.063 nan 4.420 nan 0.000 0.266 580 P C 0.643 178.004 177.300 0.102 0.000 1.195 580 P CA 1.386 64.551 63.100 0.109 0.000 0.768 580 P CB 0.460 32.211 31.700 0.084 0.000 0.838 581 G N 2.162 111.007 108.800 0.075 0.000 2.245 581 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.264 581 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.264 581 G C 1.131 176.079 174.900 0.080 0.000 0.985 581 G CA 0.528 45.664 45.100 0.060 0.000 0.625 581 G HN 0.593 nan 8.290 nan 0.000 0.536 582 E N 1.226 121.500 120.200 0.124 0.000 2.265 582 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 582 E C 2.294 179.027 176.600 0.221 0.000 0.996 582 E CA 1.440 57.942 56.400 0.170 0.000 0.832 582 E CB -0.366 29.482 29.700 0.248 0.000 0.756 582 E HN 0.857 nan 8.360 nan 0.000 0.491 583 N N 0.286 119.081 118.700 0.158 0.000 2.137 583 N HA -0.236 4.504 4.740 -0.001 0.000 0.190 583 N C 1.843 177.434 175.510 0.135 0.000 1.017 583 N CA 1.542 54.677 53.050 0.142 0.000 0.859 583 N CB -0.480 38.047 38.487 0.067 0.000 1.002 583 N HN 0.198 nan 8.380 nan 0.000 0.428 584 L N -0.118 121.157 121.223 0.086 0.000 2.275 584 L HA -0.010 4.330 4.340 -0.001 0.000 0.215 584 L C 2.014 178.904 176.870 0.033 0.000 1.119 584 L CA 0.634 55.505 54.840 0.051 0.000 0.790 584 L CB -0.343 41.733 42.059 0.029 0.000 0.919 584 L HN 0.310 nan 8.230 nan 0.000 0.443 585 L N -1.376 119.858 121.223 0.018 0.000 2.395 585 L HA -0.103 4.237 4.340 -0.001 0.000 0.218 585 L C 2.089 178.860 176.870 -0.165 0.000 1.130 585 L CA 0.525 55.313 54.840 -0.086 0.000 0.826 585 L CB -0.538 41.437 42.059 -0.140 0.000 0.941 585 L HN 0.368 nan 8.230 nan 0.000 0.451 586 H N 0.222 119.300 119.070 0.014 0.000 2.551 586 H HA 0.312 4.868 4.556 -0.001 0.000 0.271 586 H C 0.025 175.358 175.328 0.008 0.000 0.984 586 H CA 0.151 56.206 56.048 0.012 0.000 1.164 586 H CB 0.828 30.598 29.762 0.014 0.000 1.437 586 H HN 0.132 nan 8.280 nan 0.000 0.550 587 L N 1.897 123.175 121.223 0.091 0.000 1.749 587 L HA -0.171 4.169 4.340 -0.001 0.000 0.702 587 L C 0.666 177.570 176.870 0.057 0.000 1.204 587 L CA -0.276 54.600 54.840 0.060 0.000 1.426 587 L CB -0.694 41.395 42.059 0.050 0.000 2.258 587 L HN 0.235 nan 8.230 nan 0.000 0.996 588 K N 0.000 120.429 120.400 0.048 0.000 2.780 588 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 588 K CA 0.000 56.305 56.287 0.030 0.000 0.838 588 K CB 0.000 32.514 32.500 0.023 0.000 1.064 588 K HN 0.000 nan 8.250 nan 0.000 0.543