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 3fuh_1_A DATA FIRST_RESID 4 DATA SEQUENCE VDTCSLASPA SVCRTKHLHL RCSVDFTRRT LTGTAALTVQ SQEDNLRSLV DATA SEQUENCE LDTKDLTIEK VVINGQEVKY ALGERQSYKG SPMEISLPIA LSKNQEIVIE DATA SEQUENCE ISFETSPKSS ALQWLTPEQT SGKEHPYLFS QCQAIHCRAI LPCQDTPSVK DATA SEQUENCE LTYTAEVSVP KELVALMSAI RDGETPDPED PSRKIYKFIQ KVPIPCYLIA DATA SEQUENCE LVVGALESRQ IGPRTLVWSE KEQVEKSAYE FSETESMLKI AEDLGGPYVW DATA SEQUENCE GQYDLLVLPP SFPYGGMENP CLTFVTPTLL AGDKSLSNVI AHEISHSWTG DATA SEQUENCE NLVTNKTWDH FWLNEGHTVY LERHICGRLF GEKFRHFNAL GGWGELQNSV DATA SEQUENCE KTFGETHPFT KLVVDLTDID PDVAYSSVPY EKGFALLFYL EQLLGGPEIF DATA SEQUENCE LGFLKAYVEK FSYKSITTDD WKDFLYSYFK DKVDVLNQVD WNAWLYSPGL DATA SEQUENCE PPIKPNYDMT LTNACIALSQ RWITAKEDDL NSFNATDLKD LSSHQLNEFL DATA SEQUENCE AQTLQRAPLP LGHIKRMQEV YNFNAINNSE IRFRWLRLCI QSKWEDAIPL DATA SEQUENCE ALKMATEQGR MKFTRPLFKD LAAFDKSHDQ AVRTYQEHKA SMHPVTAMLV DATA SEQUENCE GKDLKVD 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.121 176.094 0.045 0.000 1.182 4 V CA 0.000 62.323 62.300 0.038 0.000 1.235 4 V CB 0.000 31.845 31.823 0.037 0.000 1.184 5 D N 2.784 123.205 120.400 0.035 0.000 2.443 5 D HA 0.328 4.968 4.640 -0.001 0.000 0.221 5 D C 1.332 177.668 176.300 0.060 0.000 1.097 5 D CA 0.419 54.444 54.000 0.042 0.000 0.865 5 D CB 1.913 42.723 40.800 0.017 0.000 1.034 5 D HN 0.877 nan 8.370 nan 0.000 0.511 6 T N -0.246 114.353 114.554 0.075 0.000 3.163 6 T HA -0.058 4.291 4.350 -0.001 0.000 0.260 6 T C 1.683 176.441 174.700 0.097 0.000 1.156 6 T CA 0.170 62.316 62.100 0.076 0.000 1.072 6 T CB -0.412 68.502 68.868 0.078 0.000 0.937 6 T HN 0.398 nan 8.240 nan 0.000 0.528 7 C N 1.208 120.586 119.300 0.129 0.000 2.696 7 C HA 0.479 4.939 4.460 -0.001 0.000 0.264 7 C C 1.356 176.407 174.990 0.102 0.000 1.288 7 C CA -0.548 58.565 59.018 0.157 0.000 1.717 7 C CB -0.973 26.919 27.740 0.253 0.000 1.893 7 C HN 0.619 nan 8.230 nan 0.000 0.577 8 S N -0.233 115.511 115.700 0.073 0.000 2.503 8 S HA 0.634 5.104 4.470 -0.001 0.000 0.301 8 S C 0.225 174.834 174.600 0.015 0.000 1.087 8 S CA -0.547 57.679 58.200 0.043 0.000 1.042 8 S CB 0.717 63.946 63.200 0.048 0.000 1.043 8 S HN 0.399 nan 8.310 nan 0.000 0.489 9 L N 2.841 124.063 121.223 -0.002 0.000 2.640 9 L HA 0.409 4.748 4.340 -0.001 0.000 0.230 9 L C 1.186 178.054 176.870 -0.004 0.000 1.123 9 L CA -0.216 54.619 54.840 -0.010 0.000 0.900 9 L CB -0.401 41.643 42.059 -0.025 0.000 1.146 9 L HN 0.659 nan 8.230 nan 0.000 0.484 10 A N 0.061 122.881 122.820 -0.000 0.000 2.313 10 A HA 0.424 4.744 4.320 -0.001 0.000 0.261 10 A C 0.585 178.171 177.584 0.003 0.000 1.090 10 A CA -0.220 51.817 52.037 -0.001 0.000 0.807 10 A CB 0.307 19.305 19.000 -0.003 0.000 1.055 10 A HN 0.176 nan 8.150 nan 0.000 0.492 11 S N 2.520 118.222 115.700 0.003 0.000 2.552 11 S HA 0.265 4.735 4.470 -0.001 0.000 0.289 11 S C -1.979 172.624 174.600 0.005 0.000 1.304 11 S CA -0.390 57.813 58.200 0.005 0.000 1.063 11 S CB -0.154 63.049 63.200 0.005 0.000 0.848 11 S HN 0.648 nan 8.310 nan 0.000 0.499 12 P HA 0.255 nan 4.420 nan 0.000 0.276 12 P C 0.326 177.628 177.300 0.003 0.000 1.261 12 P CA -0.505 62.598 63.100 0.005 0.000 0.800 12 P CB 0.636 32.341 31.700 0.008 0.000 1.066 13 A N 0.987 123.808 122.820 0.001 0.000 2.070 13 A HA -0.139 4.181 4.320 -0.001 0.000 0.220 13 A C 2.078 179.664 177.584 0.002 0.000 1.159 13 A CA 1.973 54.010 52.037 0.000 0.000 0.656 13 A CB -1.640 17.357 19.000 -0.004 0.000 0.800 13 A HN 0.649 nan 8.150 nan 0.000 0.453 14 S N -1.092 114.610 115.700 0.003 0.000 2.515 14 S HA 0.018 4.488 4.470 -0.001 0.000 0.231 14 S C 1.468 176.071 174.600 0.005 0.000 0.987 14 S CA 1.083 59.286 58.200 0.005 0.000 0.936 14 S CB -0.182 63.022 63.200 0.006 0.000 0.766 14 S HN 0.218 nan 8.310 nan 0.000 0.528 15 V N 0.954 120.871 119.914 0.005 0.000 2.521 15 V HA 0.235 4.355 4.120 -0.001 0.000 0.239 15 V C 1.212 177.309 176.094 0.006 0.000 1.053 15 V CA 0.795 63.098 62.300 0.006 0.000 1.073 15 V CB 0.041 31.868 31.823 0.007 0.000 0.746 15 V HN 0.918 nan 8.190 nan 0.000 0.476 16 C N -0.568 118.736 119.300 0.005 0.000 3.311 16 C HA 0.805 5.265 4.460 -0.001 0.000 0.325 16 C C -0.918 174.076 174.990 0.005 0.000 1.352 16 C CA -1.266 57.755 59.018 0.006 0.000 1.308 16 C CB 1.660 29.405 27.740 0.007 0.000 1.619 16 C HN 0.421 nan 8.230 nan 0.000 0.469 17 R N 0.799 121.303 120.500 0.007 0.000 2.514 17 R HA 0.599 4.939 4.340 -0.001 0.000 0.296 17 R C -0.890 175.418 176.300 0.012 0.000 1.012 17 R CA -0.243 55.861 56.100 0.007 0.000 0.897 17 R CB 2.291 32.595 30.300 0.006 0.000 1.184 17 R HN 0.869 nan 8.270 nan 0.000 0.440 18 T N 3.869 118.430 114.554 0.012 0.000 2.834 18 T HA 0.079 4.429 4.350 -0.001 0.000 0.298 18 T C 0.998 175.718 174.700 0.033 0.000 0.966 18 T CA -0.251 61.860 62.100 0.019 0.000 1.141 18 T CB 0.728 69.600 68.868 0.006 0.000 0.905 18 T HN 0.254 nan 8.240 nan 0.000 0.535 19 K N 1.673 122.106 120.400 0.056 0.000 2.276 19 K HA 0.139 4.459 4.320 -0.001 0.000 0.198 19 K C 0.530 177.219 176.600 0.149 0.000 1.052 19 K CA 0.687 57.020 56.287 0.077 0.000 0.984 19 K CB 0.159 32.698 32.500 0.065 0.000 0.836 19 K HN 0.739 nan 8.250 nan 0.000 0.490 20 H N -1.157 117.936 119.070 0.038 0.000 3.046 20 H HA 0.463 5.019 4.556 -0.001 0.000 0.363 20 H C -1.990 173.388 175.328 0.082 0.000 1.203 20 H CA -1.004 55.084 56.048 0.067 0.000 1.169 20 H CB 1.366 31.164 29.762 0.060 0.000 1.851 20 H HN -0.089 nan 8.280 nan 0.000 0.546 21 L N 4.329 125.324 121.223 -0.380 0.000 2.356 21 L HA 0.384 4.723 4.340 -0.001 0.000 0.277 21 L C -1.490 175.298 176.870 -0.137 0.000 0.996 21 L CA -0.347 54.394 54.840 -0.165 0.000 0.822 21 L CB 1.230 43.204 42.059 -0.143 0.000 1.256 21 L HN 0.808 nan 8.230 nan 0.000 0.413 22 H N 6.374 125.475 119.070 0.053 0.000 2.541 22 H HA 0.348 4.904 4.556 -0.001 0.000 0.316 22 H C -1.634 173.761 175.328 0.112 0.000 1.043 22 H CA -0.638 55.493 56.048 0.139 0.000 1.232 22 H CB 1.493 31.384 29.762 0.215 0.000 1.406 22 H HN 0.666 nan 8.280 nan 0.000 0.469 23 L N 6.672 127.720 121.223 -0.291 0.000 2.280 23 L HA 0.422 4.762 4.340 -0.001 0.000 0.287 23 L C -0.504 176.203 176.870 -0.271 0.000 1.023 23 L CA -0.668 54.072 54.840 -0.167 0.000 0.819 23 L CB 0.555 42.569 42.059 -0.075 0.000 1.212 23 L HN 0.641 nan 8.230 nan 0.000 0.420 24 R N 4.557 124.969 120.500 -0.146 0.000 2.337 24 R HA 0.500 4.840 4.340 -0.001 0.000 0.319 24 R C -0.919 175.359 176.300 -0.037 0.000 0.954 24 R CA -0.423 55.630 56.100 -0.078 0.000 0.840 24 R CB 1.303 31.597 30.300 -0.010 0.000 1.164 24 R HN 0.767 nan 8.270 nan 0.000 0.472 25 C N -0.734 118.553 119.300 -0.021 0.000 3.291 25 C HA 0.794 5.254 4.460 -0.001 0.000 0.316 25 C C -0.446 174.532 174.990 -0.019 0.000 1.391 25 C CA -0.968 58.018 59.018 -0.053 0.000 1.394 25 C CB 1.956 29.669 27.740 -0.045 0.000 1.744 25 C HN 0.646 nan 8.230 nan 0.000 0.461 26 S N 0.141 115.816 115.700 -0.042 0.000 2.521 26 S HA 0.719 5.189 4.470 -0.001 0.000 0.295 26 S C -1.083 173.513 174.600 -0.006 0.000 1.098 26 S CA -0.329 57.867 58.200 -0.006 0.000 0.999 26 S CB 1.310 64.502 63.200 -0.012 0.000 1.034 26 S HN 1.007 nan 8.310 nan 0.000 0.483 27 V N 4.680 124.604 119.914 0.016 0.000 2.348 27 V HA 0.354 4.474 4.120 -0.001 0.000 0.270 27 V C -0.205 175.883 176.094 -0.010 0.000 1.037 27 V CA -0.623 61.669 62.300 -0.015 0.000 0.872 27 V CB 1.182 32.937 31.823 -0.114 0.000 1.002 27 V HN 0.845 nan 8.190 nan 0.000 0.464 28 D N 3.934 124.323 120.400 -0.018 0.000 2.454 28 D HA 0.304 4.943 4.640 -0.001 0.000 0.225 28 D C 0.514 176.724 176.300 -0.149 0.000 1.081 28 D CA -0.416 53.559 54.000 -0.041 0.000 0.864 28 D CB 0.864 41.623 40.800 -0.067 0.000 1.040 28 D HN 0.329 nan 8.370 nan 0.000 0.517 29 F N 1.204 121.197 119.950 0.072 0.000 2.259 29 F HA -0.091 4.435 4.527 -0.001 0.000 0.298 29 F C 2.466 178.200 175.800 -0.109 0.000 1.088 29 F CA 0.833 58.860 58.000 0.045 0.000 1.358 29 F CB -0.150 38.955 39.000 0.174 0.000 1.040 29 F HN 0.313 nan 8.300 nan 0.000 0.505 30 T N -0.454 114.154 114.554 0.091 0.000 2.788 30 T HA -0.155 4.195 4.350 -0.001 0.000 0.268 30 T C 1.920 176.559 174.700 -0.103 0.000 1.044 30 T CA 1.312 63.416 62.100 0.007 0.000 1.139 30 T CB -0.168 68.708 68.868 0.014 0.000 0.867 30 T HN 0.233 nan 8.240 nan 0.000 0.454 31 R N -0.088 120.303 120.500 -0.181 0.000 2.308 31 R HA 0.302 4.641 4.340 -0.001 0.000 0.202 31 R C 0.177 176.205 176.300 -0.453 0.000 0.898 31 R CA -0.184 55.771 56.100 -0.242 0.000 1.046 31 R CB 0.363 30.559 30.300 -0.174 0.000 1.026 31 R HN 0.183 nan 8.270 nan 0.000 0.512 32 R N 1.304 121.330 120.500 -0.791 0.000 3.336 32 R HA -0.130 4.209 4.340 -0.001 0.000 0.260 32 R C -0.780 174.815 176.300 -1.174 0.000 1.032 32 R CA 1.143 56.181 56.100 -1.769 0.000 0.693 32 R CB -2.241 27.181 30.300 -1.463 0.000 1.134 32 R HN 0.361 nan 8.270 nan 0.000 0.433 33 T N -2.466 111.723 114.554 -0.609 0.000 2.906 33 T HA 0.671 5.021 4.350 -0.001 0.000 0.295 33 T C -0.217 174.539 174.700 0.093 0.000 1.061 33 T CA -1.096 60.937 62.100 -0.113 0.000 1.000 33 T CB 2.614 71.409 68.868 -0.121 0.000 1.103 33 T HN 0.227 nan 8.240 nan 0.000 0.486 34 L N 1.887 123.198 121.223 0.147 0.000 2.296 34 L HA 0.727 5.066 4.340 -0.001 0.000 0.286 34 L C -0.836 175.975 176.870 -0.097 0.000 1.023 34 L CA -0.159 54.721 54.840 0.067 0.000 0.812 34 L CB 1.540 43.667 42.059 0.114 0.000 1.223 34 L HN 0.935 nan 8.230 nan 0.000 0.421 35 T N 3.696 118.135 114.554 -0.191 0.000 2.841 35 T HA 0.899 5.248 4.350 -0.001 0.000 0.283 35 T C -0.015 174.426 174.700 -0.432 0.000 1.000 35 T CA -0.093 61.799 62.100 -0.347 0.000 0.977 35 T CB 1.778 70.526 68.868 -0.200 0.000 0.979 35 T HN 1.003 nan 8.240 nan 0.000 0.446 36 G N 1.519 109.911 108.800 -0.679 0.000 2.455 36 G HA2 0.466 4.426 3.960 -0.001 0.000 0.223 36 G HA3 0.466 4.426 3.960 -0.001 0.000 0.223 36 G C -1.058 173.589 174.900 -0.421 0.000 1.226 36 G CA -0.137 44.700 45.100 -0.439 0.000 0.948 36 G HN 1.020 nan 8.290 nan 0.000 0.478 37 T N -2.025 112.472 114.554 -0.094 0.000 2.861 37 T HA 0.814 5.164 4.350 -0.001 0.000 0.287 37 T C -0.355 174.512 174.700 0.278 0.000 1.003 37 T CA 0.318 62.497 62.100 0.132 0.000 0.977 37 T CB 1.854 70.772 68.868 0.083 0.000 0.996 37 T HN 2.038 nan 8.240 nan 0.000 0.448 38 A N 2.207 125.227 122.820 0.333 0.000 2.267 38 A HA 0.812 5.131 4.320 -0.001 0.000 0.315 38 A C 0.272 177.914 177.584 0.098 0.000 1.297 38 A CA -0.886 51.243 52.037 0.153 0.000 0.865 38 A CB 0.158 19.143 19.000 -0.025 0.000 1.165 38 A HN 1.419 nan 8.150 nan 0.000 0.513 39 A N 3.674 126.566 122.820 0.119 0.000 2.253 39 A HA 0.636 4.955 4.320 -0.001 0.000 0.316 39 A C -0.436 177.218 177.584 0.116 0.000 1.327 39 A CA -0.295 51.819 52.037 0.129 0.000 0.917 39 A CB -0.081 19.032 19.000 0.189 0.000 1.162 39 A HN 0.802 nan 8.150 nan 0.000 0.535 40 L N 2.904 124.169 121.223 0.070 0.000 2.265 40 L HA 0.333 4.673 4.340 -0.001 0.000 0.289 40 L C 0.082 176.995 176.870 0.072 0.000 1.033 40 L CA -0.373 54.501 54.840 0.056 0.000 0.814 40 L CB 1.595 43.662 42.059 0.012 0.000 1.203 40 L HN 0.596 nan 8.230 nan 0.000 0.423 41 T N 3.213 117.830 114.554 0.105 0.000 2.727 41 T HA 0.347 4.697 4.350 -0.001 0.000 0.295 41 T C 0.065 174.802 174.700 0.060 0.000 0.915 41 T CA -0.237 61.915 62.100 0.086 0.000 1.066 41 T CB 0.880 69.814 68.868 0.110 0.000 0.891 41 T HN 0.193 nan 8.240 nan 0.000 0.516 42 V N 4.449 124.386 119.914 0.038 0.000 2.495 42 V HA 0.413 4.532 4.120 -0.001 0.000 0.298 42 V C -0.016 176.090 176.094 0.019 0.000 1.031 42 V CA -0.948 61.368 62.300 0.026 0.000 0.871 42 V CB 1.839 33.673 31.823 0.019 0.000 0.988 42 V HN 0.792 nan 8.190 nan 0.000 0.432 43 Q N 2.694 122.503 119.800 0.016 0.000 2.314 43 Q HA 0.449 4.789 4.340 -0.001 0.000 0.259 43 Q C -0.084 175.920 176.000 0.008 0.000 0.951 43 Q CA -0.198 55.611 55.803 0.010 0.000 0.909 43 Q CB 1.549 30.291 28.738 0.007 0.000 1.236 43 Q HN 0.799 nan 8.270 nan 0.000 0.444 44 S N 2.757 118.461 115.700 0.007 0.000 2.562 44 S HA 0.053 4.522 4.470 -0.001 0.000 0.281 44 S C 0.349 174.951 174.600 0.004 0.000 1.333 44 S CA -0.079 58.124 58.200 0.006 0.000 1.052 44 S CB 0.642 63.845 63.200 0.006 0.000 0.884 44 S HN 0.738 nan 8.310 nan 0.000 0.506 45 Q N 2.314 122.117 119.800 0.004 0.000 2.194 45 Q HA 0.350 4.689 4.340 -0.001 0.000 0.214 45 Q C -0.416 175.586 176.000 0.004 0.000 0.838 45 Q CA 0.253 56.059 55.803 0.004 0.000 0.972 45 Q CB 0.594 29.334 28.738 0.004 0.000 1.131 45 Q HN 0.710 nan 8.270 nan 0.000 0.498 46 E N 0.448 120.651 120.200 0.004 0.000 2.343 46 E HA 0.225 4.575 4.350 -0.001 0.000 0.270 46 E C -1.427 175.176 176.600 0.004 0.000 0.895 46 E CA -0.694 55.709 56.400 0.004 0.000 0.767 46 E CB 1.762 31.465 29.700 0.005 0.000 1.248 46 E HN -0.080 nan 8.360 nan 0.000 0.440 47 D N 0.825 121.227 120.400 0.004 0.000 2.423 47 D HA -0.006 4.634 4.640 -0.001 0.000 0.238 47 D C 0.082 176.384 176.300 0.004 0.000 1.142 47 D CA 0.718 54.720 54.000 0.004 0.000 0.884 47 D CB 0.358 41.160 40.800 0.003 0.000 1.199 47 D HN 0.476 nan 8.370 nan 0.000 0.438 48 N N 1.506 120.209 118.700 0.005 0.000 2.740 48 N HA -0.215 4.524 4.740 -0.001 0.000 0.248 48 N C -1.344 174.169 175.510 0.006 0.000 1.062 48 N CA 0.148 53.201 53.050 0.005 0.000 0.704 48 N CB -1.178 37.312 38.487 0.005 0.000 0.968 48 N HN 0.382 nan 8.380 nan 0.000 0.547 49 L N 0.705 121.932 121.223 0.007 0.000 2.361 49 L HA 0.319 4.658 4.340 -0.001 0.000 0.278 49 L C 1.316 178.192 176.870 0.010 0.000 1.113 49 L CA 0.464 55.309 54.840 0.008 0.000 0.849 49 L CB 0.593 42.657 42.059 0.008 0.000 1.155 49 L HN 0.257 nan 8.230 nan 0.000 0.452 50 R N 2.006 122.513 120.500 0.011 0.000 2.446 50 R HA 0.282 4.621 4.340 -0.001 0.000 0.254 50 R C -0.310 176.000 176.300 0.016 0.000 0.918 50 R CA 0.463 56.571 56.100 0.013 0.000 1.069 50 R CB 0.440 30.747 30.300 0.011 0.000 1.194 50 R HN 0.768 nan 8.270 nan 0.000 0.534 51 S N 0.231 115.940 115.700 0.016 0.000 2.588 51 S HA 0.659 5.128 4.470 -0.001 0.000 0.269 51 S C -1.239 173.372 174.600 0.018 0.000 1.157 51 S CA -1.091 57.122 58.200 0.020 0.000 0.824 51 S CB 1.772 64.985 63.200 0.021 0.000 1.126 51 S HN 0.101 nan 8.310 nan 0.000 0.464 52 L N -1.605 119.630 121.223 0.020 0.000 2.479 52 L HA 1.005 5.344 4.340 -0.001 0.000 0.255 52 L C -1.573 175.307 176.870 0.016 0.000 1.026 52 L CA -1.010 53.839 54.840 0.015 0.000 0.842 52 L CB 1.268 43.334 42.059 0.012 0.000 1.444 52 L HN 0.570 nan 8.230 nan 0.000 0.409 53 V N 1.603 121.523 119.914 0.010 0.000 2.604 53 V HA 0.651 4.770 4.120 -0.001 0.000 0.305 53 V C -0.292 175.800 176.094 -0.002 0.000 1.043 53 V CA -0.406 61.899 62.300 0.008 0.000 0.888 53 V CB 1.698 33.526 31.823 0.008 0.000 0.995 53 V HN 0.703 nan 8.190 nan 0.000 0.429 54 L N 2.462 123.679 121.223 -0.009 0.000 2.341 54 L HA 0.621 4.960 4.340 -0.001 0.000 0.267 54 L C -0.479 176.373 176.870 -0.029 0.000 1.009 54 L CA -0.847 53.978 54.840 -0.026 0.000 0.819 54 L CB 2.098 44.130 42.059 -0.046 0.000 1.323 54 L HN 0.535 nan 8.230 nan 0.000 0.425 55 D N 1.279 121.659 120.400 -0.034 0.000 2.345 55 D HA 0.363 5.003 4.640 -0.001 0.000 0.247 55 D C -0.084 176.183 176.300 -0.055 0.000 1.108 55 D CA 0.330 54.309 54.000 -0.036 0.000 0.894 55 D CB 1.856 42.640 40.800 -0.026 0.000 1.203 55 D HN 0.629 nan 8.370 nan 0.000 0.430 56 T N -1.246 113.281 114.554 -0.046 0.000 2.864 56 T HA 0.592 4.941 4.350 -0.001 0.000 0.299 56 T C -0.795 173.888 174.700 -0.027 0.000 1.166 56 T CA -1.051 61.019 62.100 -0.051 0.000 1.007 56 T CB 2.675 71.515 68.868 -0.046 0.000 1.219 56 T HN 0.299 nan 8.240 nan 0.000 0.506 57 K N 0.942 121.333 120.400 -0.015 0.000 2.656 57 K HA 0.334 4.654 4.320 -0.001 0.000 0.253 57 K C -1.077 175.537 176.600 0.024 0.000 1.002 57 K CA -0.463 55.829 56.287 0.008 0.000 0.880 57 K CB 0.756 33.270 32.500 0.023 0.000 1.232 57 K HN 0.796 nan 8.250 nan 0.000 0.456 58 D N 2.459 122.875 120.400 0.026 0.000 2.772 58 D HA -0.212 4.427 4.640 -0.001 0.000 0.233 58 D C -0.468 175.860 176.300 0.046 0.000 1.143 58 D CA 1.070 55.090 54.000 0.035 0.000 0.700 58 D CB -0.728 40.095 40.800 0.038 0.000 1.076 58 D HN 0.440 nan 8.370 nan 0.000 0.430 59 L N 0.188 121.438 121.223 0.044 0.000 2.322 59 L HA 0.345 4.685 4.340 -0.001 0.000 0.279 59 L C 0.854 177.769 176.870 0.075 0.000 1.036 59 L CA -0.356 54.527 54.840 0.072 0.000 0.807 59 L CB 1.714 43.796 42.059 0.039 0.000 1.226 59 L HN -0.209 nan 8.230 nan 0.000 0.433 60 T N 3.908 118.520 114.554 0.097 0.000 2.743 60 T HA 0.460 4.810 4.350 -0.001 0.000 0.292 60 T C -0.015 174.742 174.700 0.095 0.000 0.972 60 T CA -0.389 61.759 62.100 0.080 0.000 0.967 60 T CB 0.816 69.716 68.868 0.055 0.000 0.926 60 T HN 0.158 nan 8.240 nan 0.000 0.459 61 I N 3.305 123.924 120.570 0.081 0.000 2.315 61 I HA 0.278 4.447 4.170 -0.001 0.000 0.291 61 I C 1.332 177.492 176.117 0.072 0.000 1.006 61 I CA -0.379 60.937 61.300 0.028 0.000 1.265 61 I CB 1.338 39.258 38.000 -0.132 0.000 1.387 61 I HN 0.801 nan 8.210 nan 0.000 0.475 62 E N 6.419 126.645 120.200 0.042 0.000 2.075 62 E HA 0.008 4.358 4.350 -0.001 0.000 0.190 62 E C 0.040 176.705 176.600 0.108 0.000 0.969 62 E CA 0.793 57.235 56.400 0.071 0.000 0.815 62 E CB 0.737 30.455 29.700 0.030 0.000 0.776 62 E HN 0.724 nan 8.360 nan 0.000 0.457 63 K N -1.524 118.892 120.400 0.025 0.000 2.642 63 K HA 0.397 4.717 4.320 -0.001 0.000 0.290 63 K C -1.619 174.940 176.600 -0.069 0.000 1.006 63 K CA -0.863 55.462 56.287 0.064 0.000 0.869 63 K CB 1.788 34.343 32.500 0.091 0.000 1.499 63 K HN -0.123 nan 8.250 nan 0.000 0.403 64 V N 1.377 121.287 119.914 -0.008 0.000 2.525 64 V HA 0.452 4.571 4.120 -0.001 0.000 0.299 64 V C -1.055 175.066 176.094 0.046 0.000 1.034 64 V CA -0.802 61.482 62.300 -0.027 0.000 0.863 64 V CB 1.713 33.499 31.823 -0.062 0.000 0.999 64 V HN 0.577 nan 8.190 nan 0.000 0.423 65 V N 6.450 126.384 119.914 0.034 0.000 2.448 65 V HA 0.600 4.720 4.120 -0.001 0.000 0.295 65 V C -0.415 175.702 176.094 0.038 0.000 1.025 65 V CA -0.360 61.965 62.300 0.042 0.000 0.859 65 V CB 1.885 33.732 31.823 0.040 0.000 0.988 65 V HN 0.721 nan 8.190 nan 0.000 0.431 66 I N 4.304 124.896 120.570 0.037 0.000 2.533 66 I HA 0.490 4.659 4.170 -0.001 0.000 0.290 66 I C -0.060 176.074 176.117 0.028 0.000 1.056 66 I CA -0.764 60.555 61.300 0.032 0.000 1.057 66 I CB 2.145 40.164 38.000 0.032 0.000 1.240 66 I HN 0.615 nan 8.210 nan 0.000 0.423 67 N N 4.459 123.173 118.700 0.023 0.000 2.727 67 N HA -0.197 4.543 4.740 -0.001 0.000 0.249 67 N C 0.910 176.431 175.510 0.019 0.000 1.048 67 N CA 1.346 54.407 53.050 0.019 0.000 0.714 67 N CB -1.059 37.438 38.487 0.017 0.000 0.959 67 N HN 1.208 nan 8.380 nan 0.000 0.544 68 G N -1.649 107.165 108.800 0.022 0.000 2.189 68 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.267 68 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.267 68 G C -0.192 174.723 174.900 0.024 0.000 0.975 68 G CA 0.846 45.959 45.100 0.022 0.000 0.644 68 G HN 0.510 nan 8.290 nan 0.000 0.537 69 Q N 0.069 119.886 119.800 0.028 0.000 2.377 69 Q HA 0.447 4.787 4.340 -0.001 0.000 0.271 69 Q C -0.218 175.807 176.000 0.041 0.000 1.077 69 Q CA -0.708 55.113 55.803 0.031 0.000 0.820 69 Q CB 1.653 30.407 28.738 0.027 0.000 1.347 69 Q HN 0.582 nan 8.270 nan 0.000 0.444 70 E N 1.089 121.317 120.200 0.047 0.000 2.384 70 E HA 0.236 4.585 4.350 -0.001 0.000 0.266 70 E C 0.003 176.647 176.600 0.072 0.000 1.012 70 E CA -0.167 56.274 56.400 0.068 0.000 0.901 70 E CB 0.921 30.666 29.700 0.073 0.000 0.967 70 E HN 0.382 nan 8.360 nan 0.000 0.435 71 V N -0.167 119.808 119.914 0.101 0.000 3.103 71 V HA 0.475 4.595 4.120 -0.001 0.000 0.318 71 V C -0.345 175.835 176.094 0.143 0.000 1.114 71 V CA -1.216 61.143 62.300 0.098 0.000 1.020 71 V CB 1.654 33.528 31.823 0.085 0.000 1.085 71 V HN 0.479 nan 8.190 nan 0.000 0.446 72 K N 1.749 122.202 120.400 0.089 0.000 2.270 72 K HA 0.530 4.850 4.320 -0.001 0.000 0.276 72 K C -1.056 175.623 176.600 0.132 0.000 1.023 72 K CA -0.012 56.301 56.287 0.043 0.000 0.955 72 K CB 0.771 33.266 32.500 -0.008 0.000 0.975 72 K HN 0.856 nan 8.250 nan 0.000 0.471 73 Y N -1.423 118.883 120.300 0.010 0.000 2.625 73 Y HA 0.735 5.285 4.550 -0.001 0.000 0.338 73 Y C -1.554 174.351 175.900 0.007 0.000 1.123 73 Y CA -1.450 56.655 58.100 0.009 0.000 1.046 73 Y CB 1.398 39.865 38.460 0.012 0.000 1.299 73 Y HN 0.500 nan 8.280 nan 0.000 0.464 74 A N 2.450 125.351 122.820 0.133 0.000 2.455 74 A HA 0.716 5.035 4.320 -0.001 0.000 0.300 74 A C -2.058 175.604 177.584 0.129 0.000 1.040 74 A CA -0.814 51.248 52.037 0.042 0.000 0.697 74 A CB 1.352 20.348 19.000 -0.006 0.000 1.265 74 A HN 0.827 nan 8.150 nan 0.000 0.407 75 L N 2.620 123.910 121.223 0.111 0.000 2.264 75 L HA 0.552 4.892 4.340 -0.001 0.000 0.289 75 L C 1.145 178.041 176.870 0.043 0.000 1.044 75 L CA -0.362 54.532 54.840 0.091 0.000 0.807 75 L CB 1.608 43.731 42.059 0.106 0.000 1.192 75 L HN 0.926 nan 8.230 nan 0.000 0.425 76 G N 2.012 110.830 108.800 0.029 0.000 2.616 76 G HA2 0.155 4.115 3.960 -0.001 0.000 0.268 76 G HA3 0.155 4.115 3.960 -0.001 0.000 0.268 76 G C -0.404 174.500 174.900 0.006 0.000 1.213 76 G CA -0.441 44.667 45.100 0.012 0.000 0.926 76 G HN 0.643 nan 8.290 nan 0.000 0.523 77 E N -0.730 119.469 120.200 -0.001 0.000 2.398 77 E HA 0.154 4.503 4.350 -0.001 0.000 0.263 77 E C 0.758 177.349 176.600 -0.014 0.000 1.046 77 E CA -0.428 55.969 56.400 -0.005 0.000 0.908 77 E CB 0.534 30.229 29.700 -0.007 0.000 0.963 77 E HN 0.409 nan 8.360 nan 0.000 0.431 78 R N 2.652 123.143 120.500 -0.014 0.000 2.570 78 R HA -0.054 4.285 4.340 -0.001 0.000 0.277 78 R C -0.346 175.926 176.300 -0.046 0.000 1.039 78 R CA 0.651 56.735 56.100 -0.026 0.000 1.065 78 R CB 0.436 30.727 30.300 -0.015 0.000 0.964 78 R HN 0.553 nan 8.270 nan 0.000 0.428 79 Q N 3.397 123.148 119.800 -0.082 0.000 2.815 79 Q HA 0.126 4.466 4.340 -0.001 0.000 0.329 79 Q C -0.166 175.708 176.000 -0.210 0.000 1.037 79 Q CA -0.229 55.498 55.803 -0.126 0.000 1.002 79 Q CB 1.126 29.780 28.738 -0.139 0.000 1.274 79 Q HN 0.994 nan 8.270 nan 0.000 0.452 80 S N 0.440 116.065 115.700 -0.125 0.000 4.054 80 S HA -0.360 4.110 4.470 -0.001 0.000 0.618 80 S C 0.959 175.495 174.600 -0.108 0.000 2.026 80 S CA 2.014 60.161 58.200 -0.089 0.000 4.205 80 S CB -1.073 62.088 63.200 -0.065 0.000 0.233 80 S HN 0.818 nan 8.310 nan 0.000 0.612 81 Y N 0.894 121.197 120.300 0.005 0.000 2.497 81 Y HA 0.314 4.864 4.550 -0.001 0.000 0.292 81 Y C 2.002 177.884 175.900 -0.030 0.000 1.137 81 Y CA 1.249 59.345 58.100 -0.006 0.000 1.285 81 Y CB -0.524 37.928 38.460 -0.014 0.000 0.991 81 Y HN 0.380 nan 8.280 nan 0.000 0.556 82 K N 0.941 121.017 120.400 -0.540 0.000 2.432 82 K HA 0.219 4.538 4.320 -0.001 0.000 0.196 82 K C 1.340 177.859 176.600 -0.135 0.000 1.038 82 K CA 0.545 56.657 56.287 -0.291 0.000 0.986 82 K CB -0.242 32.044 32.500 -0.356 0.000 0.782 82 K HN 0.628 nan 8.250 nan 0.000 0.485 83 G N 0.563 109.296 108.800 -0.111 0.000 2.542 83 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.235 83 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.235 83 G C -0.715 174.153 174.900 -0.054 0.000 1.286 83 G CA -0.411 44.657 45.100 -0.053 0.000 0.904 83 G HN 0.172 nan 8.290 nan 0.000 0.577 84 S N 2.943 118.625 115.700 -0.030 0.000 2.519 84 S HA 0.715 5.184 4.470 -0.001 0.000 0.309 84 S C -2.560 172.031 174.600 -0.014 0.000 1.100 84 S CA -0.635 57.554 58.200 -0.019 0.000 1.059 84 S CB 2.676 65.876 63.200 -0.001 0.000 1.008 84 S HN 0.748 nan 8.310 nan 0.000 0.478 85 P HA 0.174 nan 4.420 nan 0.000 0.275 85 P C -1.009 176.300 177.300 0.015 0.000 1.227 85 P CA -0.367 62.731 63.100 -0.004 0.000 0.781 85 P CB 0.527 32.224 31.700 -0.005 0.000 0.906 86 M N 2.567 122.176 119.600 0.016 0.000 2.043 86 M HA 0.259 4.739 4.480 -0.001 0.000 0.322 86 M C -0.243 176.085 176.300 0.047 0.000 0.962 86 M CA -0.531 54.794 55.300 0.042 0.000 0.927 86 M CB 0.871 33.477 32.600 0.011 0.000 1.466 86 M HN 0.303 nan 8.290 nan 0.000 0.412 87 E N 4.916 125.159 120.200 0.072 0.000 2.227 87 E HA 0.460 4.810 4.350 -0.001 0.000 0.282 87 E C -1.436 175.224 176.600 0.100 0.000 1.015 87 E CA -0.381 56.057 56.400 0.063 0.000 0.823 87 E CB 1.125 30.853 29.700 0.047 0.000 1.081 87 E HN 0.708 nan 8.360 nan 0.000 0.396 88 I N 2.916 123.532 120.570 0.077 0.000 2.433 88 I HA 0.185 4.355 4.170 -0.001 0.000 0.292 88 I C -0.426 175.731 176.117 0.067 0.000 1.001 88 I CA -0.684 60.673 61.300 0.095 0.000 1.119 88 I CB 2.122 40.160 38.000 0.064 0.000 1.289 88 I HN 0.361 nan 8.210 nan 0.000 0.438 89 S N 6.980 122.723 115.700 0.072 0.000 2.411 89 S HA 0.457 4.926 4.470 -0.001 0.000 0.294 89 S C -0.028 174.598 174.600 0.044 0.000 1.115 89 S CA -0.635 57.593 58.200 0.047 0.000 1.071 89 S CB 0.213 63.436 63.200 0.038 0.000 0.967 89 S HN 0.327 nan 8.310 nan 0.000 0.488 90 L N 5.462 126.705 121.223 0.033 0.000 2.426 90 L HA 0.226 4.565 4.340 -0.001 0.000 0.271 90 L C -0.906 175.979 176.870 0.025 0.000 1.169 90 L CA -1.493 53.364 54.840 0.029 0.000 0.836 90 L CB 0.282 42.355 42.059 0.022 0.000 1.112 90 L HN 0.425 nan 8.230 nan 0.000 0.465 91 P HA 0.061 nan 4.420 nan 0.000 0.224 91 P C 0.139 177.449 177.300 0.016 0.000 1.157 91 P CA 1.074 64.187 63.100 0.021 0.000 0.799 91 P CB 0.597 32.310 31.700 0.023 0.000 0.809 92 I N -0.430 120.149 120.570 0.015 0.000 2.499 92 I HA 0.418 4.587 4.170 -0.001 0.000 0.288 92 I C -0.045 176.079 176.117 0.011 0.000 1.048 92 I CA -1.566 59.741 61.300 0.012 0.000 1.062 92 I CB 2.154 40.160 38.000 0.010 0.000 1.238 92 I HN -0.203 nan 8.210 nan 0.000 0.426 93 A N 7.352 130.178 122.820 0.009 0.000 2.565 93 A HA 0.384 4.703 4.320 -0.001 0.000 0.237 93 A C -0.276 177.312 177.584 0.008 0.000 1.053 93 A CA 0.358 52.401 52.037 0.009 0.000 0.755 93 A CB -0.002 19.003 19.000 0.007 0.000 0.980 93 A HN 0.671 nan 8.150 nan 0.000 0.506 94 L N 2.690 123.917 121.223 0.008 0.000 2.322 94 L HA 0.457 4.796 4.340 -0.001 0.000 0.279 94 L C 0.912 177.785 176.870 0.005 0.000 1.036 94 L CA -0.556 54.287 54.840 0.006 0.000 0.807 94 L CB 1.772 43.836 42.059 0.007 0.000 1.226 94 L HN 0.894 nan 8.230 nan 0.000 0.433 95 S N 1.408 117.111 115.700 0.003 0.000 2.669 95 S HA 0.285 4.755 4.470 -0.001 0.000 0.270 95 S C -0.216 174.385 174.600 0.002 0.000 1.225 95 S CA -0.868 57.334 58.200 0.002 0.000 0.991 95 S CB 1.262 64.462 63.200 0.001 0.000 0.987 95 S HN 0.589 nan 8.310 nan 0.000 0.552 96 K N 0.788 121.189 120.400 0.001 0.000 2.484 96 K HA -0.013 4.307 4.320 -0.001 0.000 0.280 96 K C -0.016 176.584 176.600 -0.000 0.000 1.013 96 K CA 0.503 56.791 56.287 0.001 0.000 1.029 96 K CB -0.204 32.296 32.500 0.001 0.000 0.902 96 K HN 0.711 nan 8.250 nan 0.000 0.481 97 N N 1.174 119.874 118.700 -0.000 0.000 2.965 97 N HA -0.230 4.510 4.740 -0.001 0.000 0.232 97 N C -0.591 174.918 175.510 -0.002 0.000 0.913 97 N CA 0.938 53.986 53.050 -0.002 0.000 0.981 97 N CB -0.865 37.619 38.487 -0.005 0.000 1.077 97 N HN 0.774 nan 8.380 nan 0.000 0.589 98 Q N 1.178 120.978 119.800 -0.000 0.000 2.337 98 Q HA 0.135 4.475 4.340 -0.001 0.000 0.270 98 Q C -0.540 175.461 176.000 0.002 0.000 1.002 98 Q CA 0.582 56.385 55.803 0.000 0.000 0.888 98 Q CB 0.530 29.269 28.738 0.002 0.000 1.222 98 Q HN 0.159 nan 8.270 nan 0.000 0.400 99 E N 4.231 124.432 120.200 0.002 0.000 2.183 99 E HA 0.480 4.830 4.350 -0.001 0.000 0.271 99 E C -0.584 176.021 176.600 0.008 0.000 0.919 99 E CA -0.522 55.882 56.400 0.005 0.000 0.781 99 E CB 1.469 31.171 29.700 0.003 0.000 1.140 99 E HN 0.570 nan 8.360 nan 0.000 0.402 100 I N -1.915 118.663 120.570 0.013 0.000 3.145 100 I HA 0.648 4.817 4.170 -0.001 0.000 0.313 100 I C -0.980 175.151 176.117 0.024 0.000 1.122 100 I CA -1.288 60.022 61.300 0.016 0.000 0.987 100 I CB 1.904 39.914 38.000 0.016 0.000 1.236 100 I HN 0.136 nan 8.210 nan 0.000 0.453 101 V N 3.863 123.793 119.914 0.027 0.000 2.417 101 V HA 0.496 4.615 4.120 -0.001 0.000 0.291 101 V C -0.136 175.980 176.094 0.037 0.000 1.024 101 V CA -0.349 61.974 62.300 0.038 0.000 0.861 101 V CB 1.456 33.303 31.823 0.042 0.000 0.985 101 V HN 0.478 nan 8.190 nan 0.000 0.436 102 I N 3.932 124.525 120.570 0.039 0.000 2.382 102 I HA 0.436 4.605 4.170 -0.001 0.000 0.286 102 I C -0.003 176.136 176.117 0.037 0.000 1.002 102 I CA -0.303 61.016 61.300 0.031 0.000 1.135 102 I CB 1.723 39.734 38.000 0.018 0.000 1.288 102 I HN 0.644 nan 8.210 nan 0.000 0.448 103 E N 7.523 127.748 120.200 0.041 0.000 2.081 103 E HA 0.495 4.845 4.350 -0.001 0.000 0.276 103 E C -1.110 175.514 176.600 0.039 0.000 0.950 103 E CA -0.581 55.852 56.400 0.055 0.000 0.776 103 E CB 1.082 30.821 29.700 0.065 0.000 1.094 103 E HN 0.503 nan 8.360 nan 0.000 0.402 104 I N 3.267 123.868 120.570 0.050 0.000 2.339 104 I HA 0.193 4.363 4.170 -0.001 0.000 0.290 104 I C -0.136 176.074 176.117 0.154 0.000 0.994 104 I CA -0.576 60.746 61.300 0.036 0.000 1.191 104 I CB 1.901 39.883 38.000 -0.030 0.000 1.343 104 I HN 0.342 nan 8.210 nan 0.000 0.458 105 S N 6.887 122.638 115.700 0.086 0.000 2.489 105 S HA 0.653 5.122 4.470 -0.001 0.000 0.277 105 S C -0.525 174.146 174.600 0.118 0.000 1.230 105 S CA -0.421 57.821 58.200 0.070 0.000 1.053 105 S CB 0.324 63.529 63.200 0.008 0.000 0.955 105 S HN 0.477 nan 8.310 nan 0.000 0.488 106 F N 0.450 120.372 119.950 -0.047 0.000 2.711 106 F HA 0.811 5.337 4.527 -0.001 0.000 0.313 106 F C -0.936 174.848 175.800 -0.027 0.000 1.141 106 F CA -1.113 56.860 58.000 -0.046 0.000 0.941 106 F CB 1.368 40.334 39.000 -0.057 0.000 1.349 106 F HN 0.458 nan 8.300 nan 0.000 0.464 107 E N 0.866 121.109 120.200 0.072 0.000 2.321 107 E HA 0.439 4.789 4.350 -0.001 0.000 0.278 107 E C -1.297 175.403 176.600 0.168 0.000 0.902 107 E CA -0.890 55.502 56.400 -0.014 0.000 0.758 107 E CB 2.308 31.979 29.700 -0.047 0.000 1.213 107 E HN 0.945 nan 8.360 nan 0.000 0.426 108 T N 0.414 115.065 114.554 0.161 0.000 2.849 108 T HA 0.332 4.682 4.350 -0.001 0.000 0.284 108 T C 0.404 175.155 174.700 0.084 0.000 1.004 108 T CA -0.716 61.482 62.100 0.163 0.000 1.021 108 T CB 1.567 70.552 68.868 0.196 0.000 1.013 108 T HN 0.252 nan 8.240 nan 0.000 0.527 109 S N 1.196 116.940 115.700 0.073 0.000 2.586 109 S HA 0.361 4.830 4.470 -0.001 0.000 0.274 109 S C -1.647 172.970 174.600 0.028 0.000 1.281 109 S CA -1.694 56.523 58.200 0.029 0.000 1.035 109 S CB 0.478 63.694 63.200 0.027 0.000 0.962 109 S HN 0.568 nan 8.310 nan 0.000 0.512 110 P HA -0.011 nan 4.420 nan 0.000 0.221 110 P C 0.211 177.512 177.300 0.001 0.000 1.145 110 P CA 1.072 64.096 63.100 -0.127 0.000 0.795 110 P CB 0.119 31.695 31.700 -0.207 0.000 0.775 111 K N -1.008 119.398 120.400 0.010 0.000 2.437 111 K HA 0.129 4.449 4.320 -0.001 0.000 0.198 111 K C 0.372 176.988 176.600 0.026 0.000 1.024 111 K CA -0.065 56.231 56.287 0.016 0.000 1.148 111 K CB -0.388 32.113 32.500 0.002 0.000 0.860 111 K HN -0.080 nan 8.250 nan 0.000 0.515 112 S N 1.031 116.767 115.700 0.060 0.000 2.784 112 S HA -0.099 4.370 4.470 -0.001 0.000 0.322 112 S C 1.316 175.907 174.600 -0.015 0.000 1.234 112 S CA 0.210 58.440 58.200 0.050 0.000 1.064 112 S CB 0.186 63.438 63.200 0.087 0.000 0.787 112 S HN 0.493 nan 8.310 nan 0.000 0.506 113 S N 4.317 120.015 115.700 -0.003 0.000 2.507 113 S HA 0.009 4.479 4.470 -0.001 0.000 0.235 113 S C 1.737 176.182 174.600 -0.258 0.000 0.988 113 S CA 0.478 58.619 58.200 -0.097 0.000 0.944 113 S CB -0.322 62.915 63.200 0.062 0.000 0.762 113 S HN 0.936 nan 8.310 nan 0.000 0.526 114 A N 0.842 123.603 122.820 -0.099 0.000 2.119 114 A HA 0.472 4.792 4.320 -0.001 0.000 0.216 114 A C 0.819 178.339 177.584 -0.107 0.000 1.152 114 A CA 0.238 52.233 52.037 -0.070 0.000 0.708 114 A CB -0.212 18.804 19.000 0.028 0.000 0.805 114 A HN 0.559 nan 8.150 nan 0.000 0.460 115 L N -0.766 120.337 121.223 -0.200 0.000 2.354 115 L HA 0.490 4.830 4.340 -0.001 0.000 0.269 115 L C -0.329 176.252 176.870 -0.482 0.000 1.005 115 L CA -0.542 54.097 54.840 -0.335 0.000 0.819 115 L CB 1.984 43.851 42.059 -0.320 0.000 1.311 115 L HN 0.242 nan 8.230 nan 0.000 0.423 116 Q N 1.380 120.751 119.800 -0.716 0.000 2.330 116 Q HA 0.363 4.702 4.340 -0.001 0.000 0.269 116 Q C -1.982 173.734 176.000 -0.473 0.000 1.022 116 Q CA -0.635 54.811 55.803 -0.595 0.000 0.796 116 Q CB 1.750 30.088 28.738 -0.667 0.000 1.271 116 Q HN 0.485 nan 8.270 nan 0.000 0.450 117 W N 4.987 126.206 121.300 -0.134 0.000 2.349 117 W HA 0.460 5.120 4.660 -0.001 0.000 0.309 117 W C -0.770 175.802 176.519 0.087 0.000 1.083 117 W CA -0.404 56.954 57.345 0.022 0.000 1.224 117 W CB 0.853 30.324 29.460 0.018 0.000 1.256 117 W HN 0.383 nan 8.180 nan 0.000 0.461 118 L N 4.058 125.508 121.223 0.379 0.000 2.307 118 L HA 0.477 4.816 4.340 -0.001 0.000 0.284 118 L C 0.974 178.005 176.870 0.268 0.000 1.023 118 L CA -0.942 54.064 54.840 0.278 0.000 0.810 118 L CB 1.347 43.554 42.059 0.247 0.000 1.231 118 L HN 0.447 nan 8.230 nan 0.000 0.423 119 T N -0.630 114.031 114.554 0.180 0.000 2.802 119 T HA 0.141 4.491 4.350 -0.001 0.000 0.305 119 T C -1.878 172.880 174.700 0.097 0.000 1.053 119 T CA -1.287 60.888 62.100 0.126 0.000 1.058 119 T CB 0.778 69.694 68.868 0.080 0.000 0.988 119 T HN 0.352 nan 8.240 nan 0.000 0.539 120 P HA -0.073 nan 4.420 nan 0.000 0.218 120 P C 1.465 178.786 177.300 0.034 0.000 1.148 120 P CA 0.857 63.979 63.100 0.037 0.000 0.822 120 P CB 0.051 31.746 31.700 -0.009 0.000 0.784 121 E N -0.470 119.748 120.200 0.031 0.000 2.274 121 E HA -0.126 4.224 4.350 -0.001 0.000 0.194 121 E C 1.716 178.337 176.600 0.036 0.000 0.996 121 E CA 0.857 57.272 56.400 0.025 0.000 0.840 121 E CB -0.462 29.249 29.700 0.018 0.000 0.772 121 E HN 0.498 nan 8.360 nan 0.000 0.491 122 Q N 0.476 120.306 119.800 0.051 0.000 2.444 122 Q HA 0.008 4.348 4.340 -0.001 0.000 0.206 122 Q C 0.752 176.770 176.000 0.030 0.000 0.948 122 Q CA 0.448 56.284 55.803 0.056 0.000 0.946 122 Q CB 0.284 29.072 28.738 0.083 0.000 1.027 122 Q HN 0.217 nan 8.270 nan 0.000 0.513 123 T N -4.458 110.113 114.554 0.027 0.000 2.910 123 T HA 0.317 4.666 4.350 -0.001 0.000 0.279 123 T C 1.066 175.772 174.700 0.010 0.000 0.989 123 T CA -0.655 61.446 62.100 0.001 0.000 0.968 123 T CB 1.667 70.572 68.868 0.062 0.000 1.135 123 T HN -0.203 nan 8.240 nan 0.000 0.562 124 S N 0.021 115.727 115.700 0.010 0.000 2.377 124 S HA 0.126 4.596 4.470 -0.001 0.000 0.223 124 S C 2.204 176.826 174.600 0.036 0.000 1.030 124 S CA 0.984 59.197 58.200 0.022 0.000 0.970 124 S CB -0.861 62.354 63.200 0.025 0.000 0.830 124 S HN 0.936 nan 8.310 nan 0.000 0.473 125 G N 0.747 109.582 108.800 0.057 0.000 2.551 125 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.216 125 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.216 125 G C 0.455 175.370 174.900 0.025 0.000 1.137 125 G CA 0.378 45.512 45.100 0.057 0.000 0.798 125 G HN 0.332 nan 8.290 nan 0.000 0.536 126 K N -1.656 118.756 120.400 0.021 0.000 3.529 126 K HA -0.267 4.053 4.320 -0.001 0.000 0.313 126 K C 1.283 177.852 176.600 -0.052 0.000 1.316 126 K CA 1.759 58.043 56.287 -0.005 0.000 0.988 126 K CB -1.915 30.581 32.500 -0.006 0.000 1.252 126 K HN 0.643 nan 8.250 nan 0.000 0.438 127 E N 1.192 121.329 120.200 -0.106 0.000 2.206 127 E HA 0.027 4.376 4.350 -0.001 0.000 0.195 127 E C 0.683 177.066 176.600 -0.362 0.000 0.935 127 E CA 0.637 56.866 56.400 -0.285 0.000 0.875 127 E CB -0.163 29.269 29.700 -0.446 0.000 0.841 127 E HN 0.487 nan 8.360 nan 0.000 0.477 128 H N -0.125 118.940 119.070 -0.008 0.000 2.533 128 H HA 0.441 4.997 4.556 -0.001 0.000 0.343 128 H C -2.254 173.038 175.328 -0.060 0.000 1.160 128 H CA -2.115 53.899 56.048 -0.056 0.000 1.218 128 H CB 2.007 31.738 29.762 -0.053 0.000 1.566 128 H HN 0.227 nan 8.280 nan 0.000 0.522 129 P HA 0.140 nan 4.420 nan 0.000 0.289 129 P C -1.084 176.218 177.300 0.005 0.000 1.299 129 P CA -0.158 62.890 63.100 -0.087 0.000 0.766 129 P CB 1.418 32.896 31.700 -0.370 0.000 1.226 130 Y N -0.982 119.383 120.300 0.108 0.000 2.521 130 Y HA 0.531 5.081 4.550 -0.001 0.000 0.332 130 Y C -1.795 174.299 175.900 0.323 0.000 1.121 130 Y CA -1.016 57.211 58.100 0.212 0.000 1.037 130 Y CB 1.414 39.968 38.460 0.155 0.000 1.330 130 Y HN 0.318 nan 8.280 nan 0.000 0.452 131 L N 7.291 128.637 121.223 0.205 0.000 2.408 131 L HA 0.837 5.177 4.340 -0.001 0.000 0.268 131 L C -2.005 174.831 176.870 -0.055 0.000 0.986 131 L CA -0.755 54.012 54.840 -0.122 0.000 0.820 131 L CB 1.578 43.253 42.059 -0.640 0.000 1.303 131 L HN 0.474 nan 8.230 nan 0.000 0.411 132 F N 1.698 121.607 119.950 -0.068 0.000 2.601 132 F HA 0.907 5.433 4.527 -0.001 0.000 0.309 132 F C -0.562 175.257 175.800 0.031 0.000 1.089 132 F CA -0.545 57.460 58.000 0.008 0.000 0.940 132 F CB 1.230 40.313 39.000 0.138 0.000 1.273 132 F HN 0.612 nan 8.300 nan 0.000 0.450 133 S N 1.594 117.490 115.700 0.327 0.000 2.690 133 S HA 0.749 5.219 4.470 -0.001 0.000 0.291 133 S C -0.922 173.943 174.600 0.441 0.000 1.138 133 S CA -0.572 57.758 58.200 0.218 0.000 1.013 133 S CB 1.846 65.083 63.200 0.061 0.000 1.053 133 S HN 0.934 nan 8.310 nan 0.000 0.539 134 Q N 0.428 120.405 119.800 0.295 0.000 2.650 134 Q HA 0.429 4.768 4.340 -0.001 0.000 0.239 134 Q C -0.697 175.392 176.000 0.149 0.000 0.893 134 Q CA -0.497 55.474 55.803 0.280 0.000 0.755 134 Q CB 0.367 29.354 28.738 0.415 0.000 1.349 134 Q HN 0.773 nan 8.270 nan 0.000 0.461 135 C N 2.013 121.371 119.300 0.097 0.000 2.504 135 C HA 0.167 4.626 4.460 -0.001 0.000 0.279 135 C C 1.035 176.095 174.990 0.117 0.000 1.358 135 C CA 0.119 59.209 59.018 0.119 0.000 1.747 135 C CB -0.154 27.624 27.740 0.063 0.000 2.037 135 C HN 0.774 nan 8.230 nan 0.000 0.503 136 Q N 0.350 120.174 119.800 0.041 0.000 2.311 136 Q HA 0.337 4.676 4.340 -0.001 0.000 0.272 136 Q C 0.849 176.670 176.000 -0.298 0.000 1.012 136 Q CA 0.201 55.895 55.803 -0.181 0.000 0.891 136 Q CB 0.968 29.562 28.738 -0.239 0.000 1.201 136 Q HN 0.510 nan 8.270 nan 0.000 0.391 137 A N 4.838 127.295 122.820 -0.605 0.000 1.861 137 A HA 0.021 4.341 4.320 -0.001 0.000 0.212 137 A C 1.210 178.473 177.584 -0.534 0.000 1.199 137 A CA 0.968 52.339 52.037 -1.109 0.000 0.613 137 A CB -0.042 17.826 19.000 -1.886 0.000 0.846 137 A HN 0.830 nan 8.150 nan 0.000 0.446 138 I N -4.993 115.269 120.570 -0.514 0.000 3.283 138 I HA 0.433 4.602 4.170 -0.001 0.000 0.342 138 I C 0.210 176.105 176.117 -0.369 0.000 1.510 138 I CA -0.299 60.824 61.300 -0.296 0.000 1.006 138 I CB 0.184 38.068 38.000 -0.194 0.000 1.596 138 I HN 0.135 nan 8.210 nan 0.000 0.509 139 H N -0.392 118.659 119.070 -0.032 0.000 2.705 139 H HA 0.166 4.721 4.556 -0.001 0.000 0.269 139 H C 1.888 177.208 175.328 -0.015 0.000 0.998 139 H CA 0.150 56.190 56.048 -0.014 0.000 1.193 139 H CB 0.604 30.362 29.762 -0.006 0.000 1.485 139 H HN 0.666 nan 8.280 nan 0.000 0.521 140 C N 2.398 121.740 119.300 0.071 0.000 2.403 140 C HA -0.167 4.293 4.460 -0.001 0.000 0.277 140 C C 3.041 178.011 174.990 -0.033 0.000 1.248 140 C CA 1.407 60.430 59.018 0.008 0.000 1.762 140 C CB -0.717 27.020 27.740 -0.007 0.000 2.014 140 C HN 0.644 nan 8.230 nan 0.000 0.486 141 R N 1.047 121.532 120.500 -0.024 0.000 2.200 141 R HA -0.043 4.296 4.340 -0.001 0.000 0.234 141 R C 1.802 178.079 176.300 -0.038 0.000 1.127 141 R CA 1.789 57.859 56.100 -0.049 0.000 0.989 141 R CB -0.660 29.620 30.300 -0.035 0.000 0.869 141 R HN 0.499 nan 8.270 nan 0.000 0.459 142 A N 0.643 123.470 122.820 0.012 0.000 2.251 142 A HA 0.217 4.537 4.320 -0.001 0.000 0.209 142 A C 1.748 179.346 177.584 0.024 0.000 1.187 142 A CA 0.219 52.277 52.037 0.035 0.000 0.823 142 A CB -0.073 18.983 19.000 0.093 0.000 0.846 142 A HN 0.352 nan 8.150 nan 0.000 0.486 143 I N -1.276 119.281 120.570 -0.022 0.000 3.300 143 I HA 0.205 4.374 4.170 -0.001 0.000 0.279 143 I C -0.120 175.903 176.117 -0.157 0.000 1.172 143 I CA 0.314 61.603 61.300 -0.018 0.000 1.431 143 I CB 0.525 38.502 38.000 -0.039 0.000 1.240 143 I HN 0.359 nan 8.210 nan 0.000 0.453 144 L N -2.867 118.158 121.223 -0.330 0.000 2.582 144 L HA 0.658 4.998 4.340 -0.001 0.000 0.257 144 L C -3.198 173.395 176.870 -0.462 0.000 0.974 144 L CA -1.983 52.424 54.840 -0.722 0.000 0.851 144 L CB 0.619 42.259 42.059 -0.697 0.000 1.424 144 L HN -0.285 nan 8.230 nan 0.000 0.412 145 P HA 0.411 nan 4.420 nan 0.000 0.271 145 P C -0.872 176.307 177.300 -0.202 0.000 1.220 145 P CA -0.253 62.686 63.100 -0.267 0.000 0.768 145 P CB 0.578 32.136 31.700 -0.236 0.000 0.848 146 C N 0.765 119.986 119.300 -0.132 0.000 3.312 146 C HA 0.385 4.844 4.460 -0.001 0.000 0.332 146 C C -0.755 174.203 174.990 -0.052 0.000 1.340 146 C CA -0.969 57.993 59.018 -0.093 0.000 1.265 146 C CB 0.848 28.527 27.740 -0.100 0.000 1.563 146 C HN 0.457 nan 8.230 nan 0.000 0.471 147 Q N 1.158 120.938 119.800 -0.033 0.000 2.431 147 Q HA 0.189 4.529 4.340 -0.001 0.000 0.234 147 Q C -0.573 175.430 176.000 0.005 0.000 1.203 147 Q CA 0.336 56.132 55.803 -0.012 0.000 0.902 147 Q CB 0.259 28.993 28.738 -0.007 0.000 1.455 147 Q HN 0.610 nan 8.270 nan 0.000 0.515 148 D N 2.510 122.920 120.400 0.017 0.000 2.619 148 D HA 0.048 4.687 4.640 -0.001 0.000 0.224 148 D C -0.977 175.390 176.300 0.111 0.000 1.133 148 D CA 0.262 54.295 54.000 0.055 0.000 1.017 148 D CB 0.157 40.980 40.800 0.037 0.000 1.077 148 D HN 0.308 nan 8.370 nan 0.000 0.503 149 T N 1.079 115.689 114.554 0.092 0.000 2.993 149 T HA 0.363 4.712 4.350 -0.001 0.000 0.312 149 T C -2.481 172.225 174.700 0.009 0.000 1.115 149 T CA -1.515 60.616 62.100 0.051 0.000 1.027 149 T CB 1.996 70.868 68.868 0.006 0.000 1.116 149 T HN -0.081 nan 8.240 nan 0.000 0.464 150 P HA 0.087 nan 4.420 nan 0.000 0.245 150 P C 1.126 178.367 177.300 -0.098 0.000 1.212 150 P CA 0.192 63.245 63.100 -0.078 0.000 0.774 150 P CB -0.074 31.446 31.700 -0.299 0.000 0.999 151 S N -1.654 113.987 115.700 -0.098 0.000 2.522 151 S HA 0.059 4.529 4.470 -0.001 0.000 0.227 151 S C 0.793 175.373 174.600 -0.033 0.000 0.986 151 S CA 0.010 58.169 58.200 -0.068 0.000 0.929 151 S CB -0.657 62.508 63.200 -0.058 0.000 0.769 151 S HN -0.064 nan 8.310 nan 0.000 0.529 152 V N 1.833 121.735 119.914 -0.021 0.000 2.495 152 V HA 0.493 4.612 4.120 -0.001 0.000 0.298 152 V C -0.431 175.662 176.094 -0.001 0.000 1.031 152 V CA -0.773 61.523 62.300 -0.006 0.000 0.871 152 V CB 1.821 33.642 31.823 -0.003 0.000 0.988 152 V HN 0.256 nan 8.190 nan 0.000 0.432 153 K N 5.373 125.778 120.400 0.008 0.000 2.324 153 K HA 0.867 5.186 4.320 -0.001 0.000 0.253 153 K C -1.340 175.278 176.600 0.030 0.000 0.932 153 K CA -0.707 55.592 56.287 0.020 0.000 0.799 153 K CB 2.534 35.056 32.500 0.037 0.000 1.154 153 K HN 0.630 nan 8.250 nan 0.000 0.425 154 L N -1.553 119.694 121.223 0.041 0.000 2.465 154 L HA 0.605 4.944 4.340 -0.001 0.000 0.257 154 L C -0.138 176.783 176.870 0.084 0.000 0.988 154 L CA -0.940 53.932 54.840 0.054 0.000 0.827 154 L CB 1.808 43.884 42.059 0.028 0.000 1.397 154 L HN 0.624 nan 8.230 nan 0.000 0.410 155 T N -1.206 113.415 114.554 0.112 0.000 2.847 155 T HA 0.720 5.069 4.350 -0.001 0.000 0.279 155 T C -0.635 174.060 174.700 -0.009 0.000 0.984 155 T CA -0.288 61.888 62.100 0.128 0.000 0.988 155 T CB 1.222 70.227 68.868 0.229 0.000 1.040 155 T HN 0.959 nan 8.240 nan 0.000 0.528 156 Y N -1.593 118.609 120.300 -0.163 0.000 2.581 156 Y HA 0.689 5.239 4.550 -0.001 0.000 0.337 156 Y C -0.922 174.963 175.900 -0.026 0.000 1.108 156 Y CA -1.170 56.717 58.100 -0.354 0.000 1.033 156 Y CB 1.112 39.438 38.460 -0.222 0.000 1.318 156 Y HN 1.015 nan 8.280 nan 0.000 0.459 157 T N 0.442 115.142 114.554 0.244 0.000 2.906 157 T HA 0.978 5.328 4.350 -0.001 0.000 0.295 157 T C -0.811 174.110 174.700 0.370 0.000 1.061 157 T CA -0.358 61.957 62.100 0.358 0.000 1.000 157 T CB 1.705 70.889 68.868 0.526 0.000 1.103 157 T HN 1.602 nan 8.240 nan 0.000 0.486 158 A N 1.473 124.490 122.820 0.329 0.000 2.549 158 A HA 0.771 5.091 4.320 -0.001 0.000 0.297 158 A C -1.305 176.420 177.584 0.235 0.000 1.061 158 A CA -0.982 51.176 52.037 0.203 0.000 0.690 158 A CB 1.525 20.706 19.000 0.302 0.000 1.287 158 A HN 0.850 nan 8.150 nan 0.000 0.402 159 E N 0.555 120.822 120.200 0.111 0.000 2.218 159 E HA 0.535 4.885 4.350 -0.001 0.000 0.263 159 E C -1.518 175.163 176.600 0.135 0.000 0.879 159 E CA -0.660 55.821 56.400 0.135 0.000 0.762 159 E CB 2.442 32.203 29.700 0.102 0.000 1.166 159 E HN 0.343 nan 8.360 nan 0.000 0.415 160 V N 2.330 122.369 119.914 0.208 0.000 2.407 160 V HA 0.267 4.387 4.120 -0.001 0.000 0.291 160 V C -0.213 175.993 176.094 0.186 0.000 1.018 160 V CA -0.709 61.709 62.300 0.197 0.000 0.842 160 V CB 1.663 33.648 31.823 0.270 0.000 0.996 160 V HN 0.601 nan 8.190 nan 0.000 0.426 161 S N 4.617 120.387 115.700 0.116 0.000 2.475 161 S HA 0.748 5.217 4.470 -0.001 0.000 0.281 161 S C -0.446 174.235 174.600 0.135 0.000 1.198 161 S CA -0.372 57.892 58.200 0.107 0.000 1.063 161 S CB 0.975 64.210 63.200 0.059 0.000 0.972 161 S HN 1.107 nan 8.310 nan 0.000 0.486 162 V N 2.601 122.622 119.914 0.178 0.000 3.078 162 V HA 0.757 4.876 4.120 -0.001 0.000 0.311 162 V C -3.064 173.148 176.094 0.196 0.000 1.138 162 V CA -2.907 59.523 62.300 0.216 0.000 1.007 162 V CB 1.217 33.196 31.823 0.261 0.000 1.045 162 V HN 0.613 nan 8.190 nan 0.000 0.432 163 P HA 0.102 nan 4.420 nan 0.000 0.264 163 P C 0.549 177.919 177.300 0.118 0.000 1.183 163 P CA 0.194 63.384 63.100 0.151 0.000 0.763 163 P CB 0.351 32.141 31.700 0.150 0.000 0.807 164 K N 4.103 124.553 120.400 0.084 0.000 2.280 164 K HA -0.171 4.149 4.320 -0.001 0.000 0.202 164 K C 1.070 177.706 176.600 0.060 0.000 1.047 164 K CA 1.246 57.574 56.287 0.069 0.000 0.942 164 K CB -0.251 32.272 32.500 0.038 0.000 0.739 164 K HN 0.383 nan 8.250 nan 0.000 0.457 165 E N 1.486 121.699 120.200 0.021 0.000 2.478 165 E HA -0.030 4.319 4.350 -0.001 0.000 0.198 165 E C 0.638 177.157 176.600 -0.135 0.000 1.046 165 E CA 0.327 56.693 56.400 -0.057 0.000 0.870 165 E CB -0.202 29.446 29.700 -0.086 0.000 0.818 165 E HN 0.404 nan 8.360 nan 0.000 0.527 166 L N 0.559 121.753 121.223 -0.049 0.000 2.304 166 L HA 0.511 4.850 4.340 -0.001 0.000 0.268 166 L C -0.290 176.603 176.870 0.038 0.000 1.010 166 L CA -1.337 53.465 54.840 -0.065 0.000 0.813 166 L CB 2.042 44.068 42.059 -0.055 0.000 1.315 166 L HN -0.238 nan 8.230 nan 0.000 0.445 167 V N 0.553 120.399 119.914 -0.113 0.000 2.540 167 V HA 0.657 4.776 4.120 -0.001 0.000 0.302 167 V C -0.023 175.743 176.094 -0.546 0.000 1.035 167 V CA -0.620 61.451 62.300 -0.382 0.000 0.873 167 V CB 1.652 33.341 31.823 -0.224 0.000 0.992 167 V HN 0.846 nan 8.190 nan 0.000 0.428 168 A N 5.791 128.034 122.820 -0.962 0.000 2.305 168 A HA 0.944 5.264 4.320 -0.001 0.000 0.322 168 A C -0.864 176.512 177.584 -0.346 0.000 1.187 168 A CA -0.440 51.311 52.037 -0.476 0.000 0.825 168 A CB 0.697 19.624 19.000 -0.122 0.000 1.164 168 A HN 0.792 nan 8.150 nan 0.000 0.498 169 L N 1.802 122.810 121.223 -0.359 0.000 2.371 169 L HA 0.703 5.042 4.340 -0.001 0.000 0.262 169 L C -0.234 176.280 176.870 -0.593 0.000 1.006 169 L CA -0.356 54.240 54.840 -0.407 0.000 0.818 169 L CB 2.225 43.941 42.059 -0.571 0.000 1.354 169 L HN 0.740 nan 8.230 nan 0.000 0.415 170 M N 0.014 119.147 119.600 -0.778 0.000 2.704 170 M HA 0.308 4.788 4.480 -0.001 0.000 0.284 170 M C -0.186 175.967 176.300 -0.244 0.000 1.275 170 M CA -0.727 54.222 55.300 -0.585 0.000 0.811 170 M CB 2.462 34.516 32.600 -0.910 0.000 1.741 170 M HN 0.562 nan 8.290 nan 0.000 0.458 171 S N 0.431 116.068 115.700 -0.106 0.000 4.175 171 S HA 0.645 5.114 4.470 -0.001 0.000 0.193 171 S C -0.351 174.252 174.600 0.004 0.000 1.373 171 S CA -0.284 57.881 58.200 -0.057 0.000 0.908 171 S CB -0.987 62.148 63.200 -0.108 0.000 1.547 171 S HN 0.740 nan 8.310 nan 0.000 0.440 172 A N 2.069 124.876 122.820 -0.021 0.000 2.515 172 A HA 0.600 4.919 4.320 -0.001 0.000 0.292 172 A C -1.063 176.580 177.584 0.097 0.000 1.065 172 A CA -0.944 51.074 52.037 -0.032 0.000 0.641 172 A CB 0.445 19.350 19.000 -0.158 0.000 1.306 172 A HN 0.380 nan 8.150 nan 0.000 0.441 173 I N 1.389 122.019 120.570 0.100 0.000 2.441 173 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 173 I C 0.871 177.096 176.117 0.180 0.000 1.049 173 I CA 0.005 61.386 61.300 0.134 0.000 1.381 173 I CB 0.598 38.652 38.000 0.090 0.000 1.409 173 I HN 0.631 nan 8.210 nan 0.000 0.523 174 R N 3.805 124.410 120.500 0.174 0.000 2.489 174 R HA 0.030 4.370 4.340 -0.001 0.000 0.287 174 R C -0.213 176.080 176.300 -0.012 0.000 1.053 174 R CA 0.062 56.211 56.100 0.080 0.000 1.036 174 R CB 0.416 30.783 30.300 0.112 0.000 0.966 174 R HN 0.456 nan 8.270 nan 0.000 0.432 175 D N 1.594 121.911 120.400 -0.138 0.000 2.696 175 D HA 0.215 4.855 4.640 -0.001 0.000 0.269 175 D C -0.024 176.213 176.300 -0.104 0.000 1.319 175 D CA 0.456 54.406 54.000 -0.084 0.000 0.826 175 D CB 0.444 41.212 40.800 -0.054 0.000 1.086 175 D HN 0.785 nan 8.370 nan 0.000 0.481 176 G N 0.941 109.679 108.800 -0.104 0.000 2.612 176 G HA2 0.023 3.982 3.960 -0.001 0.000 0.686 176 G HA3 0.023 3.982 3.960 -0.001 0.000 0.686 176 G C -0.833 173.978 174.900 -0.147 0.000 1.274 176 G CA -0.413 44.634 45.100 -0.087 0.000 0.849 176 G HN 0.351 nan 8.290 nan 0.000 0.595 177 E N -1.644 118.457 120.200 -0.165 0.000 2.356 177 E HA 0.821 5.171 4.350 -0.001 0.000 0.275 177 E C -0.362 176.097 176.600 -0.235 0.000 0.904 177 E CA -0.430 55.776 56.400 -0.324 0.000 0.757 177 E CB 2.409 31.798 29.700 -0.519 0.000 1.232 177 E HN 1.409 nan 8.360 nan 0.000 0.442 178 T N -1.086 113.317 114.554 -0.252 0.000 2.868 178 T HA 0.532 4.881 4.350 -0.001 0.000 0.306 178 T C -2.924 171.687 174.700 -0.148 0.000 1.224 178 T CA -2.159 59.849 62.100 -0.155 0.000 1.012 178 T CB 1.277 70.086 68.868 -0.099 0.000 1.221 178 T HN 0.247 nan 8.240 nan 0.000 0.499 179 P HA 0.219 nan 4.420 nan 0.000 0.269 179 P C -0.687 176.582 177.300 -0.052 0.000 1.215 179 P CA -0.114 62.946 63.100 -0.066 0.000 0.780 179 P CB 0.297 31.973 31.700 -0.040 0.000 0.898 180 D N 3.171 123.551 120.400 -0.034 0.000 2.336 180 D HA 0.093 4.733 4.640 -0.001 0.000 0.249 180 D C -1.566 174.728 176.300 -0.008 0.000 1.213 180 D CA -2.089 51.901 54.000 -0.016 0.000 0.870 180 D CB 0.456 41.256 40.800 -0.000 0.000 1.076 180 D HN 0.094 nan 8.370 nan 0.000 0.483 181 P HA -0.109 nan 4.420 nan 0.000 0.220 181 P C 0.473 177.773 177.300 0.000 0.000 1.144 181 P CA 1.057 64.155 63.100 -0.004 0.000 0.800 181 P CB 0.321 32.019 31.700 -0.003 0.000 0.772 182 E N -1.680 118.521 120.200 0.003 0.000 2.447 182 E HA 0.016 4.366 4.350 -0.001 0.000 0.195 182 E C 0.132 176.736 176.600 0.007 0.000 1.028 182 E CA 0.263 56.666 56.400 0.005 0.000 0.876 182 E CB 0.169 29.872 29.700 0.005 0.000 0.885 182 E HN 0.106 nan 8.360 nan 0.000 0.500 183 D N -0.432 119.973 120.400 0.008 0.000 2.296 183 D HA 0.039 4.678 4.640 -0.001 0.000 0.224 183 D C -2.373 173.936 176.300 0.014 0.000 1.324 183 D CA -1.445 52.563 54.000 0.014 0.000 0.940 183 D CB 1.194 42.006 40.800 0.020 0.000 1.492 183 D HN -0.207 nan 8.370 nan 0.000 0.531 184 P HA -0.052 nan 4.420 nan 0.000 0.239 184 P C 0.968 178.278 177.300 0.015 0.000 1.184 184 P CA 0.450 63.555 63.100 0.008 0.000 0.760 184 P CB 0.031 31.735 31.700 0.007 0.000 0.884 185 S N -1.787 113.927 115.700 0.024 0.000 2.593 185 S HA 0.135 4.605 4.470 -0.001 0.000 0.217 185 S C 0.856 175.483 174.600 0.044 0.000 0.966 185 S CA -0.368 57.853 58.200 0.035 0.000 0.914 185 S CB -0.276 62.948 63.200 0.040 0.000 0.776 185 S HN 0.078 nan 8.310 nan 0.000 0.523 186 R N 0.140 120.662 120.500 0.036 0.000 2.854 186 R HA 0.628 4.968 4.340 -0.001 0.000 0.271 186 R C -1.042 175.267 176.300 0.014 0.000 0.994 186 R CA -0.805 55.322 56.100 0.046 0.000 0.945 186 R CB 1.550 31.882 30.300 0.054 0.000 1.194 186 R HN 0.100 nan 8.270 nan 0.000 0.476 187 K N 1.218 121.626 120.400 0.014 0.000 2.328 187 K HA 0.520 4.839 4.320 -0.001 0.000 0.246 187 K C -0.766 175.781 176.600 -0.089 0.000 0.955 187 K CA -0.649 55.583 56.287 -0.092 0.000 0.817 187 K CB 1.967 34.356 32.500 -0.185 0.000 1.208 187 K HN 0.366 nan 8.250 nan 0.000 0.432 188 I N 2.859 123.323 120.570 -0.177 0.000 2.339 188 I HA 0.263 4.433 4.170 -0.001 0.000 0.290 188 I C -1.006 174.953 176.117 -0.262 0.000 0.994 188 I CA -0.759 60.477 61.300 -0.107 0.000 1.191 188 I CB 0.733 38.704 38.000 -0.048 0.000 1.343 188 I HN 0.427 nan 8.210 nan 0.000 0.458 189 Y N 5.534 125.813 120.300 -0.036 0.000 2.360 189 Y HA 0.467 5.016 4.550 -0.001 0.000 0.337 189 Y C 0.055 175.753 175.900 -0.338 0.000 1.039 189 Y CA -0.555 57.426 58.100 -0.197 0.000 1.109 189 Y CB 1.480 39.874 38.460 -0.109 0.000 1.201 189 Y HN 0.378 nan 8.280 nan 0.000 0.458 190 K N 3.191 123.331 120.400 -0.434 0.000 2.208 190 K HA 0.707 5.027 4.320 -0.001 0.000 0.247 190 K C -1.693 174.472 176.600 -0.726 0.000 0.953 190 K CA -0.762 55.315 56.287 -0.349 0.000 0.837 190 K CB 1.760 34.182 32.500 -0.129 0.000 1.131 190 K HN 0.410 nan 8.250 nan 0.000 0.431 191 F N 1.269 121.272 119.950 0.087 0.000 2.619 191 F HA 0.524 5.050 4.527 -0.001 0.000 0.308 191 F C -0.666 175.128 175.800 -0.010 0.000 1.097 191 F CA -0.924 57.100 58.000 0.040 0.000 0.953 191 F CB 1.580 40.617 39.000 0.062 0.000 1.287 191 F HN 0.318 nan 8.300 nan 0.000 0.446 192 I N 2.352 122.983 120.570 0.101 0.000 2.534 192 I HA 0.476 4.646 4.170 -0.001 0.000 0.288 192 I C -1.686 174.335 176.117 -0.160 0.000 1.077 192 I CA -0.546 60.736 61.300 -0.030 0.000 1.051 192 I CB 1.710 39.723 38.000 0.022 0.000 1.234 192 I HN 0.638 nan 8.210 nan 0.000 0.425 193 Q N 6.913 126.493 119.800 -0.368 0.000 2.381 193 Q HA 0.317 4.657 4.340 -0.001 0.000 0.263 193 Q C -0.186 175.737 176.000 -0.128 0.000 1.030 193 Q CA -0.472 55.141 55.803 -0.315 0.000 0.772 193 Q CB 1.316 29.668 28.738 -0.643 0.000 1.232 193 Q HN 0.727 nan 8.270 nan 0.000 0.476 194 K N 1.659 122.024 120.400 -0.059 0.000 2.374 194 K HA 0.217 4.536 4.320 -0.001 0.000 0.196 194 K C -0.404 176.151 176.600 -0.075 0.000 1.023 194 K CA -0.031 56.229 56.287 -0.044 0.000 1.103 194 K CB 0.587 33.056 32.500 -0.052 0.000 0.848 194 K HN 0.289 nan 8.250 nan 0.000 0.528 195 V N 3.738 123.608 119.914 -0.073 0.000 2.407 195 V HA 0.254 4.373 4.120 -0.001 0.000 0.278 195 V C -2.406 173.703 176.094 0.025 0.000 1.037 195 V CA -2.381 59.843 62.300 -0.127 0.000 0.900 195 V CB 1.025 32.591 31.823 -0.428 0.000 0.983 195 V HN 0.122 nan 8.190 nan 0.000 0.459 196 P HA 0.236 nan 4.420 nan 0.000 0.264 196 P C -0.546 176.841 177.300 0.144 0.000 1.193 196 P CA 0.300 63.444 63.100 0.074 0.000 0.763 196 P CB 0.257 31.980 31.700 0.038 0.000 0.810 197 I N 1.045 121.689 120.570 0.122 0.000 2.785 197 I HA 0.712 4.881 4.170 -0.001 0.000 0.302 197 I C -2.752 173.354 176.117 -0.019 0.000 1.069 197 I CA -3.518 57.830 61.300 0.079 0.000 1.045 197 I CB 2.581 40.627 38.000 0.077 0.000 1.236 197 I HN 0.064 nan 8.210 nan 0.000 0.429 198 P HA 0.047 nan 4.420 nan 0.000 0.271 198 P C 0.883 178.069 177.300 -0.190 0.000 1.218 198 P CA -0.325 62.695 63.100 -0.133 0.000 0.780 198 P CB 1.073 32.679 31.700 -0.157 0.000 0.901 199 C N 1.423 120.685 119.300 -0.064 0.000 2.419 199 C HA -0.134 4.325 4.460 -0.001 0.000 0.283 199 C C 2.585 177.549 174.990 -0.043 0.000 1.373 199 C CA 0.482 59.457 59.018 -0.070 0.000 1.781 199 C CB -2.595 25.122 27.740 -0.038 0.000 1.886 199 C HN 0.644 nan 8.230 nan 0.000 0.520 200 Y N 0.988 121.314 120.300 0.043 0.000 2.483 200 Y HA 0.178 4.728 4.550 -0.001 0.000 0.291 200 Y C 1.822 177.705 175.900 -0.028 0.000 1.143 200 Y CA 0.753 58.884 58.100 0.053 0.000 1.289 200 Y CB -0.897 37.691 38.460 0.213 0.000 0.983 200 Y HN 0.285 nan 8.280 nan 0.000 0.556 201 L N 0.792 121.767 121.223 -0.414 0.000 2.592 201 L HA 0.204 4.543 4.340 -0.001 0.000 0.227 201 L C 0.399 177.131 176.870 -0.231 0.000 1.127 201 L CA -0.175 54.447 54.840 -0.363 0.000 0.884 201 L CB -0.092 41.684 42.059 -0.472 0.000 1.065 201 L HN 0.158 nan 8.230 nan 0.000 0.457 202 I N 1.092 121.531 120.570 -0.219 0.000 2.598 202 I HA 0.117 4.286 4.170 -0.001 0.000 0.284 202 I C 0.472 176.445 176.117 -0.239 0.000 1.140 202 I CA 0.243 61.370 61.300 -0.289 0.000 1.420 202 I CB 0.594 38.354 38.000 -0.400 0.000 1.387 202 I HN 0.042 nan 8.210 nan 0.000 0.553 203 A N 7.151 129.826 122.820 -0.241 0.000 2.515 203 A HA 0.870 5.190 4.320 -0.001 0.000 0.298 203 A C -1.553 175.948 177.584 -0.139 0.000 1.059 203 A CA -0.495 51.409 52.037 -0.221 0.000 0.698 203 A CB 1.820 20.528 19.000 -0.488 0.000 1.289 203 A HN 0.558 nan 8.150 nan 0.000 0.404 204 L N 1.754 122.961 121.223 -0.028 0.000 2.464 204 L HA 0.825 5.164 4.340 -0.001 0.000 0.266 204 L C -1.547 175.329 176.870 0.010 0.000 0.965 204 L CA -0.542 54.246 54.840 -0.087 0.000 0.833 204 L CB 1.980 43.948 42.059 -0.152 0.000 1.296 204 L HN 0.979 nan 8.230 nan 0.000 0.405 205 V N 5.657 125.501 119.914 -0.117 0.000 2.735 205 V HA 0.854 4.974 4.120 -0.001 0.000 0.310 205 V C -1.505 174.395 176.094 -0.323 0.000 1.061 205 V CA -0.340 61.824 62.300 -0.228 0.000 0.913 205 V CB 2.365 33.963 31.823 -0.374 0.000 1.005 205 V HN 0.597 nan 8.190 nan 0.000 0.428 206 V N 5.983 125.682 119.914 -0.359 0.000 2.525 206 V HA 1.021 5.141 4.120 -0.001 0.000 0.299 206 V C 0.372 176.234 176.094 -0.388 0.000 1.034 206 V CA 0.468 62.608 62.300 -0.267 0.000 0.863 206 V CB 1.033 32.834 31.823 -0.037 0.000 0.999 206 V HN 1.341 nan 8.190 nan 0.000 0.423 207 G N 2.795 111.367 108.800 -0.380 0.000 2.428 207 G HA2 0.592 4.552 3.960 -0.001 0.000 0.304 207 G HA3 0.592 4.552 3.960 -0.001 0.000 0.304 207 G C -0.883 173.921 174.900 -0.160 0.000 1.303 207 G CA -0.085 44.807 45.100 -0.346 0.000 0.825 207 G HN 1.064 nan 8.290 nan 0.000 0.484 208 A N 0.447 123.254 122.820 -0.023 0.000 2.990 208 A HA 0.614 4.934 4.320 -0.001 0.000 0.282 208 A C 0.163 177.803 177.584 0.093 0.000 1.688 208 A CA 0.034 52.075 52.037 0.006 0.000 1.391 208 A CB -1.094 17.956 19.000 0.084 0.000 1.112 208 A HN 0.518 nan 8.150 nan 0.000 0.588 209 L N 1.272 122.546 121.223 0.085 0.000 2.309 209 L HA 0.495 4.834 4.340 -0.001 0.000 0.282 209 L C 0.326 177.349 176.870 0.256 0.000 1.036 209 L CA -0.312 54.646 54.840 0.196 0.000 0.806 209 L CB 1.511 43.688 42.059 0.196 0.000 1.220 209 L HN 0.582 nan 8.230 nan 0.000 0.429 210 E N 1.001 121.330 120.200 0.215 0.000 2.320 210 E HA 0.611 4.960 4.350 -0.001 0.000 0.264 210 E C -1.133 175.389 176.600 -0.129 0.000 0.923 210 E CA -0.722 55.722 56.400 0.074 0.000 0.796 210 E CB 2.483 32.198 29.700 0.026 0.000 1.262 210 E HN 0.625 nan 8.360 nan 0.000 0.428 211 S N 0.884 116.315 115.700 -0.450 0.000 2.570 211 S HA 0.707 5.177 4.470 -0.001 0.000 0.286 211 S C -0.730 173.613 174.600 -0.428 0.000 1.099 211 S CA -0.993 56.727 58.200 -0.801 0.000 0.913 211 S CB 2.295 64.407 63.200 -1.813 0.000 1.085 211 S HN 0.548 nan 8.310 nan 0.000 0.480 212 R N 0.918 121.209 120.500 -0.349 0.000 2.574 212 R HA 0.385 4.725 4.340 -0.001 0.000 0.288 212 R C -1.128 175.084 176.300 -0.146 0.000 1.004 212 R CA -0.448 55.543 56.100 -0.183 0.000 0.895 212 R CB 1.787 32.033 30.300 -0.090 0.000 1.191 212 R HN 0.867 nan 8.270 nan 0.000 0.444 213 Q N 4.075 123.818 119.800 -0.096 0.000 2.313 213 Q HA 0.202 4.541 4.340 -0.001 0.000 0.266 213 Q C 0.446 176.445 176.000 -0.003 0.000 0.989 213 Q CA 0.161 55.938 55.803 -0.044 0.000 0.890 213 Q CB 0.828 29.553 28.738 -0.022 0.000 1.200 213 Q HN 0.772 nan 8.270 nan 0.000 0.396 214 I N 0.079 120.666 120.570 0.027 0.000 4.338 214 I HA 0.620 4.789 4.170 -0.001 0.000 0.329 214 I C 0.340 176.493 176.117 0.059 0.000 1.378 214 I CA -0.257 61.073 61.300 0.050 0.000 1.170 214 I CB 0.996 39.043 38.000 0.079 0.000 1.206 214 I HN 0.538 nan 8.210 nan 0.000 0.432 215 G N 1.372 110.207 108.800 0.059 0.000 2.506 215 G HA2 0.375 4.335 3.960 -0.001 0.000 0.292 215 G HA3 0.375 4.335 3.960 -0.001 0.000 0.292 215 G C -2.775 172.163 174.900 0.062 0.000 1.425 215 G CA -0.383 44.753 45.100 0.060 0.000 0.788 215 G HN -0.246 nan 8.290 nan 0.000 0.490 216 P HA -0.037 nan 4.420 nan 0.000 0.222 216 P C 0.887 178.235 177.300 0.081 0.000 1.147 216 P CA 0.947 64.084 63.100 0.062 0.000 0.790 216 P CB 0.185 31.919 31.700 0.056 0.000 0.780 217 R N -2.077 118.481 120.500 0.096 0.000 2.616 217 R HA 0.374 4.714 4.340 -0.001 0.000 0.427 217 R C -0.676 175.720 176.300 0.159 0.000 1.030 217 R CA -0.298 55.881 56.100 0.131 0.000 1.133 217 R CB -0.166 30.220 30.300 0.143 0.000 1.444 217 R HN -0.185 nan 8.270 nan 0.000 0.578 218 T N 1.665 116.299 114.554 0.135 0.000 3.031 218 T HA 0.395 4.744 4.350 -0.001 0.000 0.305 218 T C -1.227 173.528 174.700 0.092 0.000 0.985 218 T CA -0.579 61.608 62.100 0.146 0.000 1.008 218 T CB 1.791 70.770 68.868 0.185 0.000 1.005 218 T HN -0.056 nan 8.240 nan 0.000 0.444 219 L N 3.514 124.786 121.223 0.081 0.000 2.334 219 L HA 0.697 5.037 4.340 -0.001 0.000 0.275 219 L C 0.121 176.979 176.870 -0.020 0.000 1.036 219 L CA -0.927 53.885 54.840 -0.045 0.000 0.807 219 L CB 1.616 43.561 42.059 -0.189 0.000 1.231 219 L HN 0.578 nan 8.230 nan 0.000 0.438 220 V N -1.163 118.700 119.914 -0.084 0.000 2.427 220 V HA 0.611 4.730 4.120 -0.001 0.000 0.286 220 V C -1.151 174.859 176.094 -0.140 0.000 1.034 220 V CA -0.751 61.555 62.300 0.010 0.000 0.893 220 V CB 1.012 32.910 31.823 0.125 0.000 0.982 220 V HN 0.676 nan 8.190 nan 0.000 0.452 221 W N 3.226 124.532 121.300 0.010 0.000 2.632 221 W HA 0.813 5.472 4.660 -0.001 0.000 0.328 221 W C 0.290 176.803 176.519 -0.011 0.000 1.044 221 W CA 0.233 57.572 57.345 -0.010 0.000 1.225 221 W CB 2.225 31.653 29.460 -0.053 0.000 1.396 221 W HN 1.093 nan 8.180 nan 0.000 0.499 222 S N -0.104 115.738 115.700 0.236 0.000 2.683 222 S HA 0.374 4.843 4.470 -0.001 0.000 0.269 222 S C -0.962 173.740 174.600 0.170 0.000 1.165 222 S CA -1.325 56.976 58.200 0.169 0.000 0.840 222 S CB 1.174 64.444 63.200 0.116 0.000 1.169 222 S HN 0.475 nan 8.310 nan 0.000 0.490 223 E N 0.925 121.218 120.200 0.154 0.000 2.418 223 E HA 0.116 4.466 4.350 -0.001 0.000 0.261 223 E C 0.857 177.513 176.600 0.094 0.000 1.070 223 E CA -0.295 56.187 56.400 0.137 0.000 0.931 223 E CB 0.542 30.316 29.700 0.125 0.000 0.954 223 E HN 0.640 nan 8.360 nan 0.000 0.439 224 K N 2.159 122.610 120.400 0.084 0.000 2.089 224 K HA -0.230 4.089 4.320 -0.001 0.000 0.210 224 K C 1.490 178.117 176.600 0.045 0.000 1.048 224 K CA 1.841 58.163 56.287 0.058 0.000 0.926 224 K CB 0.076 32.610 32.500 0.057 0.000 0.714 224 K HN 0.468 nan 8.250 nan 0.000 0.448 225 E N 0.074 120.302 120.200 0.046 0.000 2.409 225 E HA -0.183 4.167 4.350 -0.001 0.000 0.198 225 E C 1.158 177.776 176.600 0.029 0.000 1.024 225 E CA 0.987 57.406 56.400 0.033 0.000 0.861 225 E CB 0.017 29.735 29.700 0.029 0.000 0.788 225 E HN 0.395 nan 8.360 nan 0.000 0.521 226 Q N 0.008 119.832 119.800 0.040 0.000 2.281 226 Q HA 0.173 4.512 4.340 -0.001 0.000 0.215 226 Q C 1.969 177.997 176.000 0.047 0.000 0.867 226 Q CA 0.050 55.878 55.803 0.042 0.000 0.940 226 Q CB 0.717 29.486 28.738 0.053 0.000 1.111 226 Q HN 0.073 nan 8.270 nan 0.000 0.513 227 V N 0.652 120.590 119.914 0.041 0.000 2.295 227 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 227 V C 2.162 178.273 176.094 0.028 0.000 1.049 227 V CA 2.224 64.545 62.300 0.035 0.000 1.024 227 V CB -0.313 31.517 31.823 0.011 0.000 0.648 227 V HN 0.463 nan 8.190 nan 0.000 0.447 228 E N 0.287 120.498 120.200 0.018 0.000 2.031 228 E HA -0.300 4.049 4.350 -0.001 0.000 0.193 228 E C 2.346 178.960 176.600 0.023 0.000 0.994 228 E CA 1.772 58.182 56.400 0.017 0.000 0.800 228 E CB -0.124 29.578 29.700 0.002 0.000 0.752 228 E HN 0.521 nan 8.360 nan 0.000 0.447 229 K N -0.053 120.350 120.400 0.006 0.000 2.063 229 K HA -0.122 4.198 4.320 -0.001 0.000 0.208 229 K C 2.229 178.807 176.600 -0.037 0.000 1.048 229 K CA 1.654 57.936 56.287 -0.008 0.000 0.928 229 K CB 0.001 32.488 32.500 -0.021 0.000 0.713 229 K HN 0.015 nan 8.250 nan 0.000 0.442 230 S N 0.466 116.151 115.700 -0.026 0.000 2.383 230 S HA -0.106 4.363 4.470 -0.001 0.000 0.227 230 S C 2.016 176.598 174.600 -0.029 0.000 1.026 230 S CA 1.017 59.176 58.200 -0.068 0.000 0.981 230 S CB -0.202 63.112 63.200 0.191 0.000 0.818 230 S HN 0.497 nan 8.310 nan 0.000 0.472 231 A N 0.580 123.434 122.820 0.056 0.000 1.940 231 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 231 A C 1.966 179.586 177.584 0.059 0.000 1.176 231 A CA 1.659 53.743 52.037 0.078 0.000 0.631 231 A CB -0.854 18.183 19.000 0.062 0.000 0.814 231 A HN 0.608 nan 8.150 nan 0.000 0.446 232 Y N 0.116 120.373 120.300 -0.072 0.000 2.184 232 Y HA -0.079 4.471 4.550 -0.001 0.000 0.290 232 Y C 2.328 178.149 175.900 -0.132 0.000 1.129 232 Y CA 2.053 60.109 58.100 -0.073 0.000 1.144 232 Y CB -0.257 38.161 38.460 -0.070 0.000 0.995 232 Y HN 0.376 nan 8.280 nan 0.000 0.513 233 E N -0.114 119.953 120.200 -0.221 0.000 2.118 233 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 233 E C 0.736 177.052 176.600 -0.473 0.000 0.992 233 E CA 1.618 57.725 56.400 -0.489 0.000 0.804 233 E CB -0.336 28.821 29.700 -0.905 0.000 0.741 233 E HN 0.469 nan 8.360 nan 0.000 0.458 234 F N -0.314 119.650 119.950 0.023 0.000 2.684 234 F HA 0.251 4.778 4.527 -0.001 0.000 0.298 234 F C 1.698 177.511 175.800 0.021 0.000 1.120 234 F CA 0.134 58.163 58.000 0.049 0.000 1.332 234 F CB -0.277 38.778 39.000 0.091 0.000 0.986 234 F HN -0.024 nan 8.300 nan 0.000 0.524 235 S N -0.726 114.995 115.700 0.035 0.000 2.469 235 S HA -0.188 4.281 4.470 -0.001 0.000 0.238 235 S C 1.378 176.000 174.600 0.037 0.000 0.998 235 S CA 1.083 59.286 58.200 0.005 0.000 0.957 235 S CB -0.457 62.672 63.200 -0.117 0.000 0.764 235 S HN 0.532 nan 8.310 nan 0.000 0.514 236 E N 0.861 121.102 120.200 0.068 0.000 2.511 236 E HA 0.024 4.373 4.350 -0.001 0.000 0.196 236 E C 1.503 178.155 176.600 0.087 0.000 1.066 236 E CA 0.645 57.090 56.400 0.074 0.000 0.871 236 E CB -0.292 29.474 29.700 0.110 0.000 0.863 236 E HN 0.545 nan 8.360 nan 0.000 0.520 237 T N 1.152 115.781 114.554 0.125 0.000 2.652 237 T HA -0.240 4.110 4.350 -0.001 0.000 0.267 237 T C 1.807 176.537 174.700 0.048 0.000 1.039 237 T CA 1.749 63.923 62.100 0.124 0.000 1.153 237 T CB -0.161 68.832 68.868 0.209 0.000 0.863 237 T HN 0.182 nan 8.240 nan 0.000 0.428 238 E N 1.519 121.750 120.200 0.051 0.000 2.085 238 E HA -0.136 4.214 4.350 -0.001 0.000 0.194 238 E C 2.349 178.947 176.600 -0.003 0.000 0.994 238 E CA 1.790 58.201 56.400 0.018 0.000 0.801 238 E CB -0.462 29.257 29.700 0.033 0.000 0.743 238 E HN 0.549 nan 8.360 nan 0.000 0.453 239 S N -0.473 115.228 115.700 0.002 0.000 2.382 239 S HA -0.193 4.277 4.470 -0.001 0.000 0.228 239 S C 2.126 176.710 174.600 -0.027 0.000 1.027 239 S CA 1.428 59.618 58.200 -0.016 0.000 0.991 239 S CB -0.386 62.799 63.200 -0.024 0.000 0.823 239 S HN 0.315 nan 8.310 nan 0.000 0.469 240 M N 0.779 120.369 119.600 -0.017 0.000 2.132 240 M HA 0.063 4.543 4.480 -0.001 0.000 0.263 240 M C 2.250 178.521 176.300 -0.048 0.000 1.065 240 M CA 1.323 56.611 55.300 -0.021 0.000 1.122 240 M CB -0.610 31.997 32.600 0.012 0.000 1.365 240 M HN 0.310 nan 8.290 nan 0.000 0.411 241 L N -0.011 121.163 121.223 -0.082 0.000 2.042 241 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 241 L C 2.442 179.302 176.870 -0.018 0.000 1.076 241 L CA 1.481 56.262 54.840 -0.098 0.000 0.749 241 L CB -0.560 41.380 42.059 -0.198 0.000 0.893 241 L HN 0.266 nan 8.230 nan 0.000 0.432 242 K N 0.057 120.444 120.400 -0.021 0.000 2.057 242 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 242 K C 2.043 178.625 176.600 -0.030 0.000 1.049 242 K CA 1.323 57.606 56.287 -0.006 0.000 0.931 242 K CB -0.168 32.329 32.500 -0.006 0.000 0.714 242 K HN 0.226 nan 8.250 nan 0.000 0.440 243 I N 0.849 121.390 120.570 -0.048 0.000 2.226 243 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 243 I C 2.456 178.495 176.117 -0.129 0.000 1.100 243 I CA 1.088 62.346 61.300 -0.070 0.000 1.374 243 I CB -0.344 37.623 38.000 -0.056 0.000 1.057 243 I HN 0.139 nan 8.210 nan 0.000 0.413 244 A N 0.455 123.184 122.820 -0.152 0.000 1.933 244 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 244 A C 2.215 179.419 177.584 -0.632 0.000 1.175 244 A CA 1.700 53.518 52.037 -0.365 0.000 0.628 244 A CB -0.580 18.286 19.000 -0.223 0.000 0.814 244 A HN 0.457 nan 8.150 nan 0.000 0.444 245 E N -0.644 119.413 120.200 -0.238 0.000 2.110 245 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 245 E C 1.702 178.223 176.600 -0.131 0.000 0.988 245 E CA 1.169 57.531 56.400 -0.063 0.000 0.804 245 E CB -0.186 29.607 29.700 0.155 0.000 0.745 245 E HN 0.713 nan 8.360 nan 0.000 0.458 246 D N 0.156 120.482 120.400 -0.123 0.000 2.117 246 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 246 D C 1.685 177.894 176.300 -0.152 0.000 0.987 246 D CA 0.812 54.752 54.000 -0.101 0.000 0.829 246 D CB 0.135 40.892 40.800 -0.072 0.000 0.961 246 D HN -0.007 nan 8.370 nan 0.000 0.460 247 L N -0.431 120.652 121.223 -0.232 0.000 2.109 247 L HA 0.214 4.553 4.340 -0.001 0.000 0.207 247 L C 2.419 179.094 176.870 -0.325 0.000 1.086 247 L CA 1.774 56.467 54.840 -0.245 0.000 0.760 247 L CB -0.995 40.921 42.059 -0.238 0.000 0.910 247 L HN 0.249 nan 8.230 nan 0.000 0.437 248 G N -2.407 106.039 108.800 -0.589 0.000 2.850 248 G HA2 0.462 4.422 3.960 -0.001 0.000 0.211 248 G HA3 0.462 4.422 3.960 -0.001 0.000 0.211 248 G C 0.693 175.377 174.900 -0.361 0.000 1.124 248 G CA 0.565 45.201 45.100 -0.774 0.000 0.769 248 G HN 0.643 nan 8.290 nan 0.000 0.535 249 G N -0.283 108.418 108.800 -0.165 0.000 2.566 249 G HA2 0.005 3.965 3.960 -0.001 0.000 0.599 249 G HA3 0.005 3.965 3.960 -0.001 0.000 0.599 249 G C -3.058 172.072 174.900 0.384 0.000 1.292 249 G CA -0.700 44.465 45.100 0.109 0.000 0.922 249 G HN 0.189 nan 8.290 nan 0.000 0.514 250 P HA 0.263 nan 4.420 nan 0.000 0.266 250 P C -0.533 177.033 177.300 0.443 0.000 1.195 250 P CA 0.131 63.427 63.100 0.325 0.000 0.768 250 P CB 0.226 32.020 31.700 0.156 0.000 0.838 251 Y N 4.001 124.485 120.300 0.307 0.000 2.480 251 Y HA 0.185 4.735 4.550 -0.001 0.000 0.341 251 Y C 1.185 177.064 175.900 -0.035 0.000 1.031 251 Y CA -0.038 58.112 58.100 0.082 0.000 1.295 251 Y CB 0.365 38.934 38.460 0.181 0.000 1.162 251 Y HN 0.192 nan 8.280 nan 0.000 0.523 252 V N 2.764 122.276 119.914 -0.670 0.000 3.647 252 V HA 0.043 4.162 4.120 -0.001 0.000 0.279 252 V C 0.576 176.221 176.094 -0.748 0.000 1.314 252 V CA 0.150 62.060 62.300 -0.650 0.000 1.125 252 V CB -0.746 30.657 31.823 -0.700 0.000 0.907 252 V HN 0.838 nan 8.190 nan 0.000 0.434 253 W N 1.259 122.099 121.300 -0.767 0.000 3.290 253 W HA 0.655 5.315 4.660 -0.001 0.000 0.287 253 W C 1.877 178.311 176.519 -0.142 0.000 1.288 253 W CA 0.689 57.746 57.345 -0.480 0.000 1.725 253 W CB 0.063 29.173 29.460 -0.583 0.000 1.103 253 W HN 0.499 nan 8.180 nan 0.000 0.670 254 G N 0.670 109.554 108.800 0.141 0.000 4.163 254 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.300 254 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.300 254 G C 0.233 175.383 174.900 0.417 0.000 1.488 254 G CA 0.462 45.710 45.100 0.246 0.000 1.052 254 G HN 0.210 nan 8.290 nan 0.000 0.687 255 Q N 0.045 120.065 119.800 0.366 0.000 2.259 255 Q HA 0.676 5.015 4.340 -0.001 0.000 0.246 255 Q C -1.095 175.189 176.000 0.474 0.000 0.920 255 Q CA -0.534 55.477 55.803 0.347 0.000 0.895 255 Q CB 0.926 29.811 28.738 0.244 0.000 1.220 255 Q HN 0.673 nan 8.270 nan 0.000 0.439 256 Y N 2.939 123.369 120.300 0.215 0.000 2.749 256 Y HA 0.353 4.903 4.550 -0.001 0.000 0.343 256 Y C -1.334 174.643 175.900 0.128 0.000 1.015 256 Y CA -0.827 57.360 58.100 0.145 0.000 1.270 256 Y CB 0.579 39.007 38.460 -0.053 0.000 1.097 256 Y HN 0.650 nan 8.280 nan 0.000 0.571 257 D N 3.658 123.972 120.400 -0.143 0.000 2.340 257 D HA 0.490 5.130 4.640 -0.001 0.000 0.251 257 D C -0.771 175.395 176.300 -0.223 0.000 1.080 257 D CA -0.051 53.932 54.000 -0.028 0.000 0.971 257 D CB 1.792 42.723 40.800 0.218 0.000 1.137 257 D HN 0.503 nan 8.370 nan 0.000 0.475 258 L N 1.139 122.349 121.223 -0.022 0.000 2.365 258 L HA 0.463 4.803 4.340 -0.001 0.000 0.273 258 L C -1.020 175.888 176.870 0.063 0.000 1.000 258 L CA -1.060 53.737 54.840 -0.072 0.000 0.819 258 L CB 1.907 43.907 42.059 -0.098 0.000 1.284 258 L HN 0.098 nan 8.230 nan 0.000 0.418 259 L N 3.963 125.162 121.223 -0.039 0.000 2.325 259 L HA 0.553 4.893 4.340 -0.001 0.000 0.281 259 L C -0.876 175.879 176.870 -0.191 0.000 1.004 259 L CA -0.308 54.464 54.840 -0.113 0.000 0.823 259 L CB 1.817 43.625 42.059 -0.419 0.000 1.236 259 L HN 0.255 nan 8.230 nan 0.000 0.415 260 V N 6.656 126.528 119.914 -0.070 0.000 2.348 260 V HA 0.332 4.452 4.120 -0.001 0.000 0.270 260 V C 0.533 176.538 176.094 -0.148 0.000 1.037 260 V CA -0.419 61.848 62.300 -0.056 0.000 0.872 260 V CB 0.824 32.720 31.823 0.122 0.000 1.002 260 V HN 0.675 nan 8.190 nan 0.000 0.464 261 L N 7.258 128.294 121.223 -0.312 0.000 2.475 261 L HA 0.413 4.753 4.340 -0.001 0.000 0.253 261 L C -1.933 174.764 176.870 -0.289 0.000 1.198 261 L CA -1.427 53.155 54.840 -0.429 0.000 0.814 261 L CB 0.488 42.047 42.059 -0.833 0.000 1.134 261 L HN 0.424 nan 8.230 nan 0.000 0.478 262 P HA 0.130 nan 4.420 nan 0.000 0.273 262 P C -2.246 175.002 177.300 -0.086 0.000 1.250 262 P CA -1.137 61.819 63.100 -0.240 0.000 0.793 262 P CB -0.053 31.447 31.700 -0.334 0.000 1.011 263 P HA -0.135 nan 4.420 nan 0.000 0.222 263 P C 1.087 178.439 177.300 0.086 0.000 1.147 263 P CA 1.448 64.578 63.100 0.048 0.000 0.790 263 P CB -0.363 31.369 31.700 0.053 0.000 0.780 264 S N -2.072 113.707 115.700 0.131 0.000 2.607 264 S HA -0.027 4.442 4.470 -0.001 0.000 0.224 264 S C 0.567 175.310 174.600 0.238 0.000 0.969 264 S CA -0.423 57.898 58.200 0.202 0.000 0.927 264 S CB -1.302 62.071 63.200 0.289 0.000 0.772 264 S HN -0.040 nan 8.310 nan 0.000 0.533 265 F N 4.782 124.691 119.950 -0.069 0.000 2.593 265 F HA 0.232 4.758 4.527 -0.001 0.000 0.393 265 F C -1.812 173.877 175.800 -0.185 0.000 1.037 265 F CA -2.423 55.448 58.000 -0.215 0.000 1.195 265 F CB 0.686 39.466 39.000 -0.366 0.000 1.034 265 F HN 0.034 nan 8.300 nan 0.000 0.552 266 P HA -0.058 nan 4.420 nan 0.000 0.233 266 P C -0.917 175.647 177.300 -1.227 0.000 1.167 266 P CA 1.281 63.818 63.100 -0.938 0.000 0.770 266 P CB 0.040 31.079 31.700 -1.102 0.000 0.837 267 Y N -1.712 117.939 120.300 -1.081 0.000 2.621 267 Y HA 0.574 5.124 4.550 -0.001 0.000 0.334 267 Y C 2.117 177.788 175.900 -0.381 0.000 1.074 267 Y CA -0.545 57.152 58.100 -0.671 0.000 1.149 267 Y CB 0.364 38.478 38.460 -0.576 0.000 1.302 267 Y HN -0.309 nan 8.280 nan 0.000 0.501 268 G N -0.178 108.607 108.800 -0.025 0.000 2.403 268 G HA2 0.324 4.284 3.960 -0.001 0.000 0.216 268 G HA3 0.324 4.284 3.960 -0.001 0.000 0.216 268 G C 0.344 175.376 174.900 0.220 0.000 1.154 268 G CA 0.830 45.953 45.100 0.039 0.000 0.784 268 G HN 0.918 nan 8.290 nan 0.000 0.538 269 G N -1.489 107.473 108.800 0.269 0.000 2.698 269 G HA2 0.535 4.495 3.960 -0.001 0.000 0.293 269 G HA3 0.535 4.495 3.960 -0.001 0.000 0.293 269 G C -1.755 173.344 174.900 0.332 0.000 1.437 269 G CA -0.716 44.588 45.100 0.340 0.000 0.852 269 G HN 0.326 nan 8.290 nan 0.000 0.499 270 M N 1.391 121.181 119.600 0.317 0.000 2.238 270 M HA 0.354 4.834 4.480 -0.001 0.000 0.278 270 M C 0.110 176.443 176.300 0.056 0.000 1.040 270 M CA -0.793 54.604 55.300 0.161 0.000 0.969 270 M CB 1.943 34.661 32.600 0.197 0.000 1.694 270 M HN 0.547 nan 8.290 nan 0.000 0.472 271 E N 2.454 122.675 120.200 0.034 0.000 2.379 271 E HA 0.027 4.377 4.350 -0.001 0.000 0.209 271 E C -1.058 175.452 176.600 -0.149 0.000 1.284 271 E CA 0.056 56.467 56.400 0.017 0.000 1.333 271 E CB -1.123 28.613 29.700 0.059 0.000 1.307 271 E HN 0.847 nan 8.360 nan 0.000 0.441 272 N N 3.835 122.389 118.700 -0.243 0.000 2.359 272 N HA 0.007 4.746 4.740 -0.001 0.000 0.261 272 N C -2.318 173.009 175.510 -0.304 0.000 1.267 272 N CA -0.725 52.117 53.050 -0.347 0.000 0.864 272 N CB 0.365 38.496 38.487 -0.593 0.000 1.063 272 N HN 0.231 nan 8.380 nan 0.000 0.474 273 P HA -0.059 nan 4.420 nan 0.000 0.268 273 P C 0.124 177.298 177.300 -0.209 0.000 1.204 273 P CA -0.040 62.774 63.100 -0.477 0.000 0.768 273 P CB 0.580 31.862 31.700 -0.696 0.000 0.842 274 C N 0.824 120.058 119.300 -0.109 0.000 5.421 274 C HA -0.196 4.263 4.460 -0.001 0.000 0.284 274 C C 0.478 175.435 174.990 -0.055 0.000 1.996 274 C CA 0.633 59.672 59.018 0.034 0.000 1.808 274 C CB -2.536 25.252 27.740 0.079 0.000 2.619 274 C HN 0.665 nan 8.230 nan 0.000 0.505 275 L N 0.981 122.123 121.223 -0.136 0.000 2.487 275 L HA 0.432 4.772 4.340 -0.001 0.000 0.261 275 L C 0.026 176.853 176.870 -0.073 0.000 1.223 275 L CA 0.420 55.200 54.840 -0.100 0.000 0.883 275 L CB 0.549 42.605 42.059 -0.005 0.000 1.065 275 L HN 0.176 nan 8.230 nan 0.000 0.488 276 T N 3.519 117.948 114.554 -0.208 0.000 2.888 276 T HA 0.325 4.675 4.350 -0.001 0.000 0.301 276 T C -0.233 174.549 174.700 0.136 0.000 1.001 276 T CA 0.610 62.671 62.100 -0.065 0.000 1.147 276 T CB -0.045 68.778 68.868 -0.075 0.000 0.931 276 T HN 0.135 nan 8.240 nan 0.000 0.541 277 F N 3.649 123.497 119.950 -0.170 0.000 2.408 277 F HA 0.522 5.049 4.527 -0.001 0.000 0.344 277 F C 0.516 176.185 175.800 -0.220 0.000 1.112 277 F CA -1.598 56.208 58.000 -0.323 0.000 1.096 277 F CB 0.814 39.497 39.000 -0.528 0.000 1.129 277 F HN 0.265 nan 8.300 nan 0.000 0.486 278 V N -0.350 119.488 119.914 -0.127 0.000 2.914 278 V HA 0.645 4.765 4.120 -0.001 0.000 0.314 278 V C -0.122 176.004 176.094 0.053 0.000 1.084 278 V CA -0.892 61.425 62.300 0.028 0.000 0.963 278 V CB 1.388 33.162 31.823 -0.081 0.000 1.025 278 V HN 0.714 nan 8.190 nan 0.000 0.432 279 T N 3.167 117.883 114.554 0.269 0.000 2.930 279 T HA 0.346 4.696 4.350 -0.001 0.000 0.306 279 T C -1.148 173.654 174.700 0.170 0.000 1.045 279 T CA -0.677 61.566 62.100 0.237 0.000 1.134 279 T CB 1.111 70.093 68.868 0.190 0.000 0.961 279 T HN 0.852 nan 8.240 nan 0.000 0.545 280 P HA 0.007 nan 4.420 nan 0.000 0.237 280 P C 1.249 178.639 177.300 0.150 0.000 1.178 280 P CA 0.682 63.862 63.100 0.133 0.000 0.766 280 P CB -0.352 31.391 31.700 0.072 0.000 0.876 281 T N -3.162 111.492 114.554 0.167 0.000 3.163 281 T HA 0.013 4.362 4.350 -0.001 0.000 0.260 281 T C 1.678 176.505 174.700 0.212 0.000 1.156 281 T CA 0.368 62.586 62.100 0.197 0.000 1.072 281 T CB -1.086 67.964 68.868 0.305 0.000 0.937 281 T HN 0.069 nan 8.240 nan 0.000 0.528 282 L N -0.030 121.335 121.223 0.237 0.000 2.478 282 L HA 0.266 4.606 4.340 -0.001 0.000 0.223 282 L C 1.149 178.134 176.870 0.191 0.000 1.140 282 L CA 0.400 55.406 54.840 0.276 0.000 0.842 282 L CB -0.414 41.919 42.059 0.457 0.000 0.953 282 L HN 0.318 nan 8.230 nan 0.000 0.452 283 L N 0.944 122.245 121.223 0.131 0.000 2.416 283 L HA 0.106 4.446 4.340 -0.001 0.000 0.243 283 L C 1.591 178.476 176.870 0.024 0.000 1.373 283 L CA -0.414 54.441 54.840 0.025 0.000 1.227 283 L CB 0.036 42.111 42.059 0.027 0.000 1.428 283 L HN 0.101 nan 8.230 nan 0.000 0.425 284 A N 0.738 123.576 122.820 0.030 0.000 2.169 284 A HA 0.267 4.587 4.320 -0.001 0.000 0.212 284 A C 1.876 179.469 177.584 0.016 0.000 1.153 284 A CA 0.795 52.847 52.037 0.025 0.000 0.756 284 A CB -0.091 18.926 19.000 0.028 0.000 0.813 284 A HN 0.766 nan 8.150 nan 0.000 0.471 285 G N 0.018 108.832 108.800 0.024 0.000 2.176 285 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.253 285 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.253 285 G C 0.243 175.216 174.900 0.122 0.000 0.979 285 G CA 0.996 46.119 45.100 0.037 0.000 0.641 285 G HN 0.964 nan 8.290 nan 0.000 0.530 286 D N -0.713 119.759 120.400 0.121 0.000 2.562 286 D HA 0.202 4.842 4.640 -0.001 0.000 0.246 286 D C 0.971 177.324 176.300 0.088 0.000 1.347 286 D CA 0.420 54.503 54.000 0.140 0.000 0.800 286 D CB -0.514 40.316 40.800 0.050 0.000 1.111 286 D HN 0.496 nan 8.370 nan 0.000 0.508 287 K N -0.106 120.329 120.400 0.058 0.000 3.407 287 K HA -0.224 4.095 4.320 -0.001 0.000 0.312 287 K C 1.117 177.771 176.600 0.090 0.000 1.302 287 K CA 1.091 57.402 56.287 0.039 0.000 0.931 287 K CB -2.418 30.078 32.500 -0.006 0.000 1.257 287 K HN 0.326 nan 8.250 nan 0.000 0.454 288 S N 0.311 116.043 115.700 0.053 0.000 2.481 288 S HA -0.021 4.449 4.470 -0.001 0.000 0.231 288 S C 1.317 176.001 174.600 0.141 0.000 0.996 288 S CA 0.595 58.812 58.200 0.028 0.000 0.942 288 S CB -0.053 63.040 63.200 -0.178 0.000 0.768 288 S HN 0.410 nan 8.310 nan 0.000 0.520 289 L N 2.415 123.735 121.223 0.162 0.000 2.791 289 L HA 0.279 4.619 4.340 -0.001 0.000 0.239 289 L C 1.919 178.951 176.870 0.270 0.000 1.203 289 L CA 0.238 55.205 54.840 0.212 0.000 1.002 289 L CB -0.217 41.958 42.059 0.194 0.000 1.295 289 L HN 0.426 nan 8.230 nan 0.000 0.504 290 S N -0.705 115.170 115.700 0.292 0.000 2.555 290 S HA -0.138 4.332 4.470 -0.001 0.000 0.230 290 S C 1.733 176.509 174.600 0.295 0.000 0.978 290 S CA 0.622 59.016 58.200 0.324 0.000 0.934 290 S CB -0.466 62.928 63.200 0.323 0.000 0.766 290 S HN 0.658 nan 8.310 nan 0.000 0.533 291 N N 2.252 121.123 118.700 0.285 0.000 2.205 291 N HA -0.133 4.606 4.740 -0.001 0.000 0.186 291 N C 1.518 177.162 175.510 0.223 0.000 1.015 291 N CA 1.537 54.734 53.050 0.245 0.000 0.862 291 N CB -0.833 37.775 38.487 0.202 0.000 0.986 291 N HN 0.420 nan 8.380 nan 0.000 0.429 292 V N 1.727 121.764 119.914 0.205 0.000 2.343 292 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 292 V C 2.647 178.877 176.094 0.227 0.000 1.051 292 V CA 1.117 63.528 62.300 0.186 0.000 1.036 292 V CB -0.436 31.476 31.823 0.149 0.000 0.654 292 V HN 0.212 nan 8.190 nan 0.000 0.451 293 I N 0.933 121.626 120.570 0.204 0.000 2.142 293 I HA -0.223 3.946 4.170 -0.001 0.000 0.240 293 I C 2.794 179.034 176.117 0.206 0.000 1.078 293 I CA 1.997 63.412 61.300 0.191 0.000 1.343 293 I CB -1.900 36.205 38.000 0.175 0.000 1.046 293 I HN 0.307 nan 8.210 nan 0.000 0.405 294 A N 0.128 123.066 122.820 0.197 0.000 1.917 294 A HA -0.314 4.006 4.320 -0.001 0.000 0.219 294 A C 2.333 180.020 177.584 0.172 0.000 1.182 294 A CA 2.378 54.511 52.037 0.160 0.000 0.633 294 A CB -1.257 17.843 19.000 0.167 0.000 0.819 294 A HN 0.623 nan 8.150 nan 0.000 0.448 295 H N -0.482 118.664 119.070 0.126 0.000 2.293 295 H HA -0.093 4.463 4.556 -0.001 0.000 0.300 295 H C 1.997 177.411 175.328 0.144 0.000 1.082 295 H CA 1.847 57.962 56.048 0.111 0.000 1.308 295 H CB 0.075 29.916 29.762 0.133 0.000 1.375 295 H HN 0.384 nan 8.280 nan 0.000 0.495 296 E N 0.513 120.952 120.200 0.398 0.000 2.106 296 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 296 E C 2.546 179.342 176.600 0.326 0.000 0.984 296 E CA 0.839 57.495 56.400 0.425 0.000 0.806 296 E CB -0.240 29.703 29.700 0.405 0.000 0.750 296 E HN 0.610 nan 8.360 nan 0.000 0.458 297 I N 1.250 121.952 120.570 0.220 0.000 2.151 297 I HA -0.307 3.863 4.170 -0.001 0.000 0.243 297 I C 2.225 178.501 176.117 0.266 0.000 1.080 297 I CA 1.242 62.572 61.300 0.049 0.000 1.339 297 I CB -0.206 37.717 38.000 -0.129 0.000 1.039 297 I HN -0.017 nan 8.210 nan 0.000 0.409 298 S N -0.695 115.126 115.700 0.202 0.000 2.399 298 S HA -0.204 4.266 4.470 -0.001 0.000 0.231 298 S C 1.861 176.627 174.600 0.278 0.000 1.022 298 S CA 0.924 59.270 58.200 0.244 0.000 0.983 298 S CB -0.508 62.701 63.200 0.015 0.000 0.803 298 S HN 0.442 nan 8.310 nan 0.000 0.480 299 H N 1.551 120.715 119.070 0.155 0.000 2.518 299 H HA 0.042 4.598 4.556 -0.001 0.000 0.292 299 H C 2.114 177.486 175.328 0.073 0.000 1.068 299 H CA 1.049 57.163 56.048 0.111 0.000 1.275 299 H CB -0.363 29.442 29.762 0.071 0.000 1.375 299 H HN 0.326 nan 8.280 nan 0.000 0.563 300 S N -0.407 115.389 115.700 0.161 0.000 2.465 300 S HA -0.140 4.330 4.470 -0.001 0.000 0.241 300 S C 1.573 176.045 174.600 -0.212 0.000 1.000 300 S CA 0.685 58.772 58.200 -0.188 0.000 0.964 300 S CB 0.001 63.017 63.200 -0.308 0.000 0.763 300 S HN 0.550 nan 8.310 nan 0.000 0.512 301 W N 1.027 122.438 121.300 0.185 0.000 3.330 301 W HA 0.139 4.799 4.660 -0.001 0.000 0.243 301 W C 0.676 177.232 176.519 0.060 0.000 0.954 301 W CA 0.269 57.678 57.345 0.108 0.000 2.074 301 W CB -1.103 28.402 29.460 0.074 0.000 1.096 301 W HN 0.143 nan 8.180 nan 0.000 0.643 302 T N -0.168 114.595 114.554 0.347 0.000 2.992 302 T HA 0.558 4.908 4.350 -0.001 0.000 0.299 302 T C 0.639 175.510 174.700 0.284 0.000 1.027 302 T CA 0.657 62.894 62.100 0.228 0.000 1.001 302 T CB 0.546 69.551 68.868 0.228 0.000 1.005 302 T HN 0.409 nan 8.240 nan 0.000 0.599 303 G N 4.142 113.071 108.800 0.214 0.000 3.435 303 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.197 303 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.197 303 G C 0.939 175.922 174.900 0.138 0.000 1.497 303 G CA -0.183 45.062 45.100 0.242 0.000 1.043 303 G HN 0.518 nan 8.290 nan 0.000 0.466 304 N N 0.560 119.315 118.700 0.092 0.000 2.395 304 N HA 0.308 5.048 4.740 -0.001 0.000 0.175 304 N C 2.114 177.742 175.510 0.198 0.000 1.029 304 N CA 0.876 53.936 53.050 0.017 0.000 0.897 304 N CB 0.145 38.463 38.487 -0.282 0.000 0.991 304 N HN 0.475 nan 8.380 nan 0.000 0.441 305 L N -0.558 120.737 121.223 0.120 0.000 2.265 305 L HA 0.232 4.572 4.340 -0.001 0.000 0.195 305 L C 0.442 177.230 176.870 -0.138 0.000 1.083 305 L CA 0.216 55.011 54.840 -0.076 0.000 0.798 305 L CB 0.196 42.126 42.059 -0.214 0.000 0.989 305 L HN -0.076 nan 8.230 nan 0.000 0.472 306 V N 0.912 120.758 119.914 -0.113 0.000 2.383 306 V HA 0.328 4.447 4.120 -0.001 0.000 0.275 306 V C -0.510 175.540 176.094 -0.074 0.000 1.036 306 V CA -0.003 62.206 62.300 -0.152 0.000 0.889 306 V CB 1.323 32.949 31.823 -0.329 0.000 0.985 306 V HN 0.202 nan 8.190 nan 0.000 0.459 307 T N 6.105 120.615 114.554 -0.072 0.000 2.863 307 T HA 0.402 4.751 4.350 -0.001 0.000 0.285 307 T C -0.458 174.188 174.700 -0.090 0.000 1.009 307 T CA -0.626 61.459 62.100 -0.024 0.000 0.989 307 T CB 1.218 70.091 68.868 0.008 0.000 1.004 307 T HN 0.919 nan 8.240 nan 0.000 0.455 308 N N 1.748 120.395 118.700 -0.089 0.000 2.458 308 N HA 0.047 4.787 4.740 -0.001 0.000 0.258 308 N C 0.754 176.139 175.510 -0.208 0.000 1.219 308 N CA -0.303 52.663 53.050 -0.141 0.000 0.902 308 N CB 0.893 39.333 38.487 -0.079 0.000 1.076 308 N HN 0.639 nan 8.380 nan 0.000 0.455 309 K N 0.392 120.692 120.400 -0.167 0.000 2.103 309 K HA -0.079 4.241 4.320 -0.001 0.000 0.204 309 K C 0.215 176.707 176.600 -0.180 0.000 1.052 309 K CA 1.227 57.421 56.287 -0.155 0.000 0.945 309 K CB 0.017 32.439 32.500 -0.129 0.000 0.722 309 K HN 0.884 nan 8.250 nan 0.000 0.443 310 T N -4.813 109.677 114.554 -0.107 0.000 2.887 310 T HA 0.214 4.563 4.350 -0.001 0.000 0.292 310 T C 0.132 174.700 174.700 -0.220 0.000 1.087 310 T CA -0.922 61.062 62.100 -0.193 0.000 1.009 310 T CB 0.363 69.246 68.868 0.025 0.000 1.203 310 T HN 0.298 nan 8.240 nan 0.000 0.518 311 W N 0.177 121.493 121.300 0.027 0.000 2.699 311 W HA 0.105 4.765 4.660 -0.001 0.000 0.249 311 W C 1.359 177.884 176.519 0.011 0.000 1.280 311 W CA 0.001 57.331 57.345 -0.025 0.000 1.345 311 W CB -0.193 29.177 29.460 -0.150 0.000 1.128 311 W HN 0.701 nan 8.180 nan 0.000 0.642 312 D N -1.178 119.290 120.400 0.114 0.000 2.218 312 D HA -0.149 4.491 4.640 -0.001 0.000 0.204 312 D C 1.365 177.586 176.300 -0.132 0.000 0.976 312 D CA 1.297 55.261 54.000 -0.060 0.000 0.853 312 D CB -0.338 40.315 40.800 -0.245 0.000 0.939 312 D HN 0.347 nan 8.370 nan 0.000 0.481 313 H N -1.086 118.112 119.070 0.215 0.000 2.505 313 H HA 0.064 4.620 4.556 -0.001 0.000 0.286 313 H C 1.166 176.573 175.328 0.132 0.000 1.072 313 H CA -0.421 55.737 56.048 0.182 0.000 1.141 313 H CB -0.138 29.653 29.762 0.049 0.000 1.550 313 H HN 0.049 nan 8.280 nan 0.000 0.547 314 F N 2.647 122.697 119.950 0.166 0.000 2.141 314 F HA -0.312 4.215 4.527 -0.001 0.000 0.300 314 F C 2.399 178.256 175.800 0.095 0.000 1.079 314 F CA 1.592 59.693 58.000 0.168 0.000 1.264 314 F CB -0.373 38.772 39.000 0.241 0.000 1.011 314 F HN 0.408 nan 8.300 nan 0.000 0.487 315 W N 0.817 122.102 121.300 -0.026 0.000 2.331 315 W HA -0.240 4.419 4.660 -0.001 0.000 0.291 315 W C 1.695 178.136 176.519 -0.130 0.000 1.214 315 W CA 1.276 58.519 57.345 -0.170 0.000 1.228 315 W CB -1.543 27.866 29.460 -0.086 0.000 1.135 315 W HN 0.161 nan 8.180 nan 0.000 0.537 316 L N 1.383 122.001 121.223 -1.009 0.000 2.012 316 L HA -0.294 4.045 4.340 -0.001 0.000 0.210 316 L C 2.582 179.295 176.870 -0.262 0.000 1.073 316 L CA 2.072 56.373 54.840 -0.898 0.000 0.748 316 L CB -1.169 40.481 42.059 -0.681 0.000 0.891 316 L HN -0.003 nan 8.230 nan 0.000 0.431 317 N N -0.399 118.195 118.700 -0.177 0.000 2.039 317 N HA -0.167 4.572 4.740 -0.001 0.000 0.193 317 N C 1.851 177.350 175.510 -0.018 0.000 1.044 317 N CA 1.261 54.311 53.050 -0.000 0.000 0.847 317 N CB -0.111 38.421 38.487 0.074 0.000 1.030 317 N HN 0.244 nan 8.380 nan 0.000 0.422 318 E N -0.318 119.695 120.200 -0.311 0.000 2.076 318 E HA 0.052 4.401 4.350 -0.001 0.000 0.190 318 E C 2.061 178.600 176.600 -0.100 0.000 0.979 318 E CA 0.757 56.941 56.400 -0.359 0.000 0.807 318 E CB -0.689 28.308 29.700 -1.173 0.000 0.761 318 E HN 0.395 nan 8.360 nan 0.000 0.454 319 G N 0.993 109.778 108.800 -0.025 0.000 2.459 319 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.217 319 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.217 319 G C 1.290 176.281 174.900 0.152 0.000 1.183 319 G CA 1.266 46.460 45.100 0.158 0.000 0.776 319 G HN 0.328 nan 8.290 nan 0.000 0.552 320 H N -0.216 118.907 119.070 0.089 0.000 2.421 320 H HA 0.017 4.572 4.556 -0.001 0.000 0.298 320 H C 2.909 178.350 175.328 0.189 0.000 1.087 320 H CA 1.716 57.864 56.048 0.166 0.000 1.330 320 H CB -0.059 29.762 29.762 0.098 0.000 1.388 320 H HN 0.306 nan 8.280 nan 0.000 0.526 321 T N -0.392 114.233 114.554 0.118 0.000 2.812 321 T HA -0.101 4.249 4.350 -0.001 0.000 0.264 321 T C 2.273 176.944 174.700 -0.050 0.000 1.042 321 T CA 1.127 63.131 62.100 -0.160 0.000 1.140 321 T CB -0.307 68.082 68.868 -0.798 0.000 0.870 321 T HN 0.095 nan 8.240 nan 0.000 0.445 322 V N 0.568 120.575 119.914 0.155 0.000 2.343 322 V HA -0.170 3.950 4.120 -0.001 0.000 0.247 322 V C 2.003 178.264 176.094 0.278 0.000 1.051 322 V CA 1.524 63.974 62.300 0.250 0.000 1.036 322 V CB -0.724 31.258 31.823 0.264 0.000 0.654 322 V HN 0.498 nan 8.190 nan 0.000 0.451 323 Y N 0.378 120.909 120.300 0.385 0.000 2.128 323 Y HA -0.236 4.314 4.550 -0.001 0.000 0.284 323 Y C 2.232 178.332 175.900 0.335 0.000 1.154 323 Y CA 1.780 60.160 58.100 0.467 0.000 1.149 323 Y CB -0.151 38.537 38.460 0.381 0.000 0.976 323 Y HN 0.134 nan 8.280 nan 0.000 0.505 324 L N -0.004 121.430 121.223 0.352 0.000 2.056 324 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 324 L C 2.566 179.505 176.870 0.113 0.000 1.078 324 L CA 1.713 56.686 54.840 0.223 0.000 0.749 324 L CB -0.697 41.465 42.059 0.170 0.000 0.901 324 L HN 0.320 nan 8.230 nan 0.000 0.433 325 E N 0.836 121.085 120.200 0.082 0.000 2.065 325 E HA -0.297 4.053 4.350 -0.001 0.000 0.201 325 E C 2.298 178.926 176.600 0.047 0.000 1.016 325 E CA 1.692 58.141 56.400 0.081 0.000 0.818 325 E CB 0.005 29.789 29.700 0.140 0.000 0.749 325 E HN 0.404 nan 8.360 nan 0.000 0.453 326 R N -0.849 119.626 120.500 -0.041 0.000 2.115 326 R HA -0.082 4.258 4.340 -0.001 0.000 0.230 326 R C 2.570 178.796 176.300 -0.122 0.000 1.111 326 R CA 1.091 57.104 56.100 -0.144 0.000 0.976 326 R CB -0.307 29.803 30.300 -0.315 0.000 0.870 326 R HN 0.368 nan 8.270 nan 0.000 0.445 327 H N 0.756 119.773 119.070 -0.089 0.000 2.353 327 H HA -0.057 4.498 4.556 -0.001 0.000 0.300 327 H C 2.155 177.480 175.328 -0.006 0.000 1.090 327 H CA 1.419 57.431 56.048 -0.061 0.000 1.327 327 H CB -0.050 29.655 29.762 -0.095 0.000 1.383 327 H HN 0.162 nan 8.280 nan 0.000 0.508 328 I N -0.276 120.369 120.570 0.125 0.000 2.179 328 I HA -0.305 3.865 4.170 -0.001 0.000 0.242 328 I C 2.699 178.868 176.117 0.086 0.000 1.088 328 I CA 1.008 62.353 61.300 0.075 0.000 1.357 328 I CB -0.322 37.714 38.000 0.060 0.000 1.051 328 I HN 0.209 nan 8.210 nan 0.000 0.409 329 C N 0.907 120.300 119.300 0.156 0.000 2.425 329 C HA -0.074 4.386 4.460 -0.001 0.000 0.277 329 C C 2.969 178.165 174.990 0.343 0.000 1.280 329 C CA 0.944 60.153 59.018 0.317 0.000 1.744 329 C CB -1.736 26.230 27.740 0.377 0.000 1.989 329 C HN 0.684 nan 8.230 nan 0.000 0.491 330 G N 0.179 109.109 108.800 0.218 0.000 2.422 330 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.218 330 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.218 330 G C 1.853 176.844 174.900 0.152 0.000 1.146 330 G CA 0.396 45.624 45.100 0.214 0.000 0.769 330 G HN 0.470 nan 8.290 nan 0.000 0.547 331 R N -0.584 119.969 120.500 0.088 0.000 2.075 331 R HA 0.069 4.408 4.340 -0.001 0.000 0.232 331 R C 2.472 178.717 176.300 -0.092 0.000 1.126 331 R CA 0.483 56.593 56.100 0.017 0.000 0.963 331 R CB -0.750 29.551 30.300 0.001 0.000 0.858 331 R HN 0.281 nan 8.270 nan 0.000 0.435 332 L N -0.501 120.583 121.223 -0.232 0.000 2.056 332 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 332 L C 1.474 177.897 176.870 -0.745 0.000 1.078 332 L CA 1.804 56.255 54.840 -0.649 0.000 0.749 332 L CB -0.467 40.908 42.059 -1.140 0.000 0.901 332 L HN 0.066 nan 8.230 nan 0.000 0.433 333 F N -1.484 118.497 119.950 0.053 0.000 2.798 333 F HA 0.569 5.096 4.527 -0.001 0.000 0.328 333 F C 0.994 176.812 175.800 0.031 0.000 1.098 333 F CA 0.008 57.987 58.000 -0.036 0.000 1.172 333 F CB 0.020 38.865 39.000 -0.259 0.000 1.072 333 F HN 0.022 nan 8.300 nan 0.000 0.555 334 G N 0.970 109.904 108.800 0.224 0.000 2.576 334 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.686 334 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.686 334 G C 0.079 175.128 174.900 0.249 0.000 1.242 334 G CA -0.338 44.879 45.100 0.195 0.000 0.819 334 G HN 0.066 nan 8.290 nan 0.000 0.655 335 E N 0.337 120.657 120.200 0.200 0.000 2.153 335 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 335 E C 2.266 179.030 176.600 0.273 0.000 0.988 335 E CA 2.184 58.724 56.400 0.233 0.000 0.811 335 E CB -0.091 29.721 29.700 0.186 0.000 0.746 335 E HN 0.597 nan 8.360 nan 0.000 0.466 336 K N -0.832 119.694 120.400 0.210 0.000 2.147 336 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 336 K C 1.912 178.711 176.600 0.331 0.000 1.049 336 K CA 1.121 57.537 56.287 0.215 0.000 0.936 336 K CB -0.285 32.301 32.500 0.144 0.000 0.722 336 K HN 0.167 nan 8.250 nan 0.000 0.446 337 F N 2.101 122.140 119.950 0.149 0.000 2.186 337 F HA -0.100 4.427 4.527 -0.001 0.000 0.299 337 F C 2.404 178.326 175.800 0.204 0.000 1.090 337 F CA 1.171 59.256 58.000 0.143 0.000 1.307 337 F CB -0.141 38.911 39.000 0.087 0.000 1.019 337 F HN -0.138 nan 8.300 nan 0.000 0.489 338 R N -1.055 119.545 120.500 0.167 0.000 2.081 338 R HA -0.211 4.129 4.340 -0.001 0.000 0.235 338 R C 2.133 178.423 176.300 -0.016 0.000 1.131 338 R CA 2.076 58.172 56.100 -0.008 0.000 0.960 338 R CB -0.542 29.774 30.300 0.025 0.000 0.856 338 R HN 0.315 nan 8.270 nan 0.000 0.436 339 H N -1.018 118.105 119.070 0.089 0.000 2.389 339 H HA -0.114 4.441 4.556 -0.001 0.000 0.299 339 H C 1.507 176.933 175.328 0.162 0.000 1.081 339 H CA 1.938 58.096 56.048 0.184 0.000 1.345 339 H CB -0.318 29.607 29.762 0.271 0.000 1.393 339 H HN 0.238 nan 8.280 nan 0.000 0.520 340 F N 1.425 121.431 119.950 0.094 0.000 2.095 340 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 340 F C 1.669 177.382 175.800 -0.144 0.000 1.104 340 F CA 1.837 59.833 58.000 -0.005 0.000 1.232 340 F CB -0.329 38.680 39.000 0.015 0.000 0.987 340 F HN 0.109 nan 8.300 nan 0.000 0.475 341 N N 0.058 118.595 118.700 -0.272 0.000 2.270 341 N HA -0.032 4.707 4.740 -0.001 0.000 0.181 341 N C 1.952 177.220 175.510 -0.403 0.000 1.016 341 N CA 0.828 53.621 53.050 -0.428 0.000 0.870 341 N CB -0.314 37.895 38.487 -0.465 0.000 0.979 341 N HN 0.383 nan 8.380 nan 0.000 0.431 342 A N 0.972 123.598 122.820 -0.323 0.000 1.877 342 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 342 A C 2.070 179.618 177.584 -0.060 0.000 1.186 342 A CA 0.991 52.903 52.037 -0.209 0.000 0.620 342 A CB -0.683 18.227 19.000 -0.151 0.000 0.822 342 A HN 0.234 nan 8.150 nan 0.000 0.443 343 L N 0.241 121.339 121.223 -0.209 0.000 2.056 343 L HA -0.000 4.339 4.340 -0.001 0.000 0.207 343 L C 2.413 179.087 176.870 -0.327 0.000 1.078 343 L CA 2.227 56.745 54.840 -0.536 0.000 0.749 343 L CB -1.245 40.553 42.059 -0.434 0.000 0.901 343 L HN 0.317 nan 8.230 nan 0.000 0.433 344 G N -0.931 107.640 108.800 -0.381 0.000 2.469 344 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.219 344 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.219 344 G C 1.528 176.316 174.900 -0.188 0.000 1.150 344 G CA 0.690 45.590 45.100 -0.333 0.000 0.763 344 G HN 0.593 nan 8.290 nan 0.000 0.561 345 G N -0.342 108.351 108.800 -0.178 0.000 2.422 345 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 345 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 345 G C 1.584 176.497 174.900 0.023 0.000 1.146 345 G CA 0.841 45.879 45.100 -0.104 0.000 0.769 345 G HN 0.440 nan 8.290 nan 0.000 0.547 346 W N 2.028 123.272 121.300 -0.094 0.000 2.358 346 W HA -0.086 4.573 4.660 -0.001 0.000 0.303 346 W C 2.225 178.695 176.519 -0.082 0.000 1.208 346 W CA 1.571 58.888 57.345 -0.046 0.000 1.274 346 W CB -0.559 28.831 29.460 -0.117 0.000 1.138 346 W HN 0.223 nan 8.180 nan 0.000 0.515 347 G N 0.678 109.515 108.800 0.062 0.000 2.440 347 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.218 347 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.218 347 G C 1.372 176.212 174.900 -0.100 0.000 1.154 347 G CA 1.065 46.151 45.100 -0.023 0.000 0.767 347 G HN 0.217 nan 8.290 nan 0.000 0.552 348 E N -0.044 120.094 120.200 -0.104 0.000 2.150 348 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 348 E C 2.479 178.997 176.600 -0.137 0.000 0.985 348 E CA 0.389 56.724 56.400 -0.109 0.000 0.814 348 E CB -0.347 29.293 29.700 -0.100 0.000 0.752 348 E HN 0.391 nan 8.360 nan 0.000 0.466 349 L N 1.545 122.657 121.223 -0.186 0.000 2.046 349 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 349 L C 2.189 178.881 176.870 -0.297 0.000 1.077 349 L CA 1.736 56.426 54.840 -0.250 0.000 0.747 349 L CB -0.491 41.337 42.059 -0.385 0.000 0.896 349 L HN 0.049 nan 8.230 nan 0.000 0.432 350 Q N -0.617 118.969 119.800 -0.357 0.000 2.077 350 Q HA -0.244 4.096 4.340 -0.001 0.000 0.206 350 Q C 1.988 177.896 176.000 -0.154 0.000 0.989 350 Q CA 1.949 57.600 55.803 -0.252 0.000 0.853 350 Q CB -0.257 28.379 28.738 -0.170 0.000 0.907 350 Q HN 0.571 nan 8.270 nan 0.000 0.418 351 N N -0.072 118.547 118.700 -0.135 0.000 2.069 351 N HA -0.113 4.627 4.740 -0.001 0.000 0.191 351 N C 1.856 177.288 175.510 -0.129 0.000 1.031 351 N CA 1.428 54.408 53.050 -0.117 0.000 0.852 351 N CB -0.456 37.968 38.487 -0.104 0.000 1.018 351 N HN 0.053 nan 8.380 nan 0.000 0.423 352 S N 0.251 115.876 115.700 -0.125 0.000 2.356 352 S HA -0.047 4.422 4.470 -0.001 0.000 0.223 352 S C 2.230 176.804 174.600 -0.044 0.000 1.032 352 S CA 0.772 58.902 58.200 -0.116 0.000 1.005 352 S CB -0.280 62.902 63.200 -0.030 0.000 0.867 352 S HN 0.090 nan 8.310 nan 0.000 0.449 353 V N 1.980 121.879 119.914 -0.025 0.000 2.343 353 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 353 V C 2.422 178.515 176.094 -0.003 0.000 1.051 353 V CA 1.674 63.983 62.300 0.015 0.000 1.036 353 V CB -0.522 31.263 31.823 -0.063 0.000 0.654 353 V HN 0.419 nan 8.190 nan 0.000 0.451 354 K N -0.191 120.176 120.400 -0.055 0.000 2.026 354 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 354 K C 2.228 178.786 176.600 -0.070 0.000 1.048 354 K CA 2.048 58.302 56.287 -0.056 0.000 0.929 354 K CB -0.327 32.132 32.500 -0.068 0.000 0.713 354 K HN 0.532 nan 8.250 nan 0.000 0.439 355 T N 0.766 115.239 114.554 -0.134 0.000 2.652 355 T HA -0.149 4.200 4.350 -0.001 0.000 0.267 355 T C 1.614 176.192 174.700 -0.204 0.000 1.039 355 T CA 1.654 63.623 62.100 -0.218 0.000 1.153 355 T CB -0.354 68.292 68.868 -0.370 0.000 0.863 355 T HN 0.129 nan 8.240 nan 0.000 0.428 356 F N 1.400 121.275 119.950 -0.124 0.000 2.206 356 F HA 0.320 4.846 4.527 -0.001 0.000 0.298 356 F C 1.811 177.551 175.800 -0.100 0.000 1.090 356 F CA 0.654 58.521 58.000 -0.221 0.000 1.323 356 F CB -0.700 38.109 39.000 -0.317 0.000 1.028 356 F HN 0.422 nan 8.300 nan 0.000 0.492 357 G N 0.277 109.160 108.800 0.138 0.000 2.784 357 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.686 357 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.686 357 G C 0.502 175.463 174.900 0.102 0.000 1.156 357 G CA -0.189 44.971 45.100 0.100 0.000 0.757 357 G HN 0.404 nan 8.290 nan 0.000 0.642 358 E N -0.361 119.867 120.200 0.047 0.000 2.409 358 E HA -0.093 4.257 4.350 -0.001 0.000 0.198 358 E C 1.746 178.357 176.600 0.019 0.000 1.024 358 E CA 1.754 58.167 56.400 0.021 0.000 0.861 358 E CB -0.066 29.631 29.700 -0.005 0.000 0.788 358 E HN 0.978 nan 8.360 nan 0.000 0.521 359 T N -2.865 111.708 114.554 0.031 0.000 3.054 359 T HA 0.038 4.388 4.350 -0.001 0.000 0.255 359 T C 0.314 175.013 174.700 -0.001 0.000 1.035 359 T CA -0.388 61.715 62.100 0.006 0.000 0.941 359 T CB -0.432 68.429 68.868 -0.013 0.000 1.026 359 T HN 0.290 nan 8.240 nan 0.000 0.533 360 H N 3.263 122.292 119.070 -0.068 0.000 2.928 360 H HA 0.187 4.742 4.556 -0.001 0.000 0.338 360 H C -1.383 173.836 175.328 -0.181 0.000 1.047 360 H CA -1.145 54.811 56.048 -0.153 0.000 1.435 360 H CB 1.149 30.817 29.762 -0.157 0.000 1.428 360 H HN -0.054 nan 8.280 nan 0.000 0.590 361 P HA -0.194 nan 4.420 nan 0.000 0.221 361 P C 0.699 178.092 177.300 0.154 0.000 1.145 361 P CA 1.080 64.106 63.100 -0.124 0.000 0.795 361 P CB 0.124 31.691 31.700 -0.222 0.000 0.775 362 F N 0.252 120.222 119.950 0.034 0.000 2.748 362 F HA 0.019 4.546 4.527 -0.001 0.000 0.299 362 F C 1.991 177.646 175.800 -0.241 0.000 1.154 362 F CA 0.873 58.730 58.000 -0.238 0.000 1.446 362 F CB -1.881 36.653 39.000 -0.777 0.000 1.112 362 F HN 0.055 nan 8.300 nan 0.000 0.584 363 T N -3.031 111.550 114.554 0.045 0.000 3.107 363 T HA 0.093 4.442 4.350 -0.001 0.000 0.249 363 T C 0.682 175.399 174.700 0.028 0.000 1.096 363 T CA -0.223 61.905 62.100 0.046 0.000 1.012 363 T CB -0.251 68.651 68.868 0.056 0.000 0.977 363 T HN -0.015 nan 8.240 nan 0.000 0.527 364 K N 0.640 121.069 120.400 0.048 0.000 2.295 364 K HA 0.328 4.647 4.320 -0.001 0.000 0.270 364 K C 0.795 177.402 176.600 0.013 0.000 1.011 364 K CA -0.561 55.746 56.287 0.033 0.000 0.953 364 K CB 1.113 33.661 32.500 0.079 0.000 0.956 364 K HN -0.053 nan 8.250 nan 0.000 0.477 365 L N 2.954 124.136 121.223 -0.069 0.000 2.005 365 L HA -0.046 4.293 4.340 -0.001 0.000 0.207 365 L C 0.228 177.043 176.870 -0.091 0.000 1.072 365 L CA 1.542 56.280 54.840 -0.169 0.000 0.744 365 L CB 0.379 42.178 42.059 -0.433 0.000 0.895 365 L HN 0.335 nan 8.230 nan 0.000 0.433 366 V N 1.646 121.515 119.914 -0.075 0.000 2.383 366 V HA 0.367 4.486 4.120 -0.001 0.000 0.275 366 V C 0.050 176.222 176.094 0.131 0.000 1.036 366 V CA -0.450 61.906 62.300 0.093 0.000 0.889 366 V CB 0.932 32.845 31.823 0.151 0.000 0.985 366 V HN 0.133 nan 8.190 nan 0.000 0.459 367 V N 1.260 121.239 119.914 0.109 0.000 3.096 367 V HA 0.753 4.873 4.120 -0.001 0.000 0.319 367 V C -0.626 175.518 176.094 0.082 0.000 1.103 367 V CA -0.809 61.557 62.300 0.109 0.000 1.016 367 V CB 2.169 34.049 31.823 0.095 0.000 1.090 367 V HN 0.747 nan 8.190 nan 0.000 0.449 368 D N 1.092 121.551 120.400 0.098 0.000 2.461 368 D HA 0.393 5.032 4.640 -0.001 0.000 0.240 368 D C 0.237 176.593 176.300 0.094 0.000 1.094 368 D CA -0.301 53.749 54.000 0.082 0.000 0.868 368 D CB 1.116 41.963 40.800 0.078 0.000 1.062 368 D HN 0.597 nan 8.370 nan 0.000 0.530 369 L N 2.641 123.912 121.223 0.080 0.000 2.627 369 L HA 0.145 4.484 4.340 -0.001 0.000 0.232 369 L C 0.580 177.515 176.870 0.108 0.000 1.150 369 L CA 0.005 54.892 54.840 0.079 0.000 0.917 369 L CB -0.277 41.816 42.059 0.058 0.000 1.104 369 L HN 0.301 nan 8.230 nan 0.000 0.445 370 T N 0.979 115.596 114.554 0.104 0.000 2.831 370 T HA -0.053 4.297 4.350 -0.001 0.000 0.291 370 T C 0.535 175.313 174.700 0.130 0.000 0.981 370 T CA 0.119 62.282 62.100 0.106 0.000 1.174 370 T CB 0.169 69.083 68.868 0.078 0.000 0.929 370 T HN 0.343 nan 8.240 nan 0.000 0.532 371 D N 0.228 120.730 120.400 0.171 0.000 3.059 371 D HA -0.149 4.491 4.640 -0.001 0.000 0.220 371 D C -0.242 176.211 176.300 0.254 0.000 1.169 371 D CA 0.692 54.826 54.000 0.223 0.000 0.902 371 D CB -0.711 40.172 40.800 0.138 0.000 1.116 371 D HN 0.388 nan 8.370 nan 0.000 0.417 372 I N 1.259 121.947 120.570 0.197 0.000 2.389 372 I HA 0.152 4.321 4.170 -0.001 0.000 0.288 372 I C 0.545 176.523 176.117 -0.232 0.000 0.999 372 I CA -0.878 60.446 61.300 0.039 0.000 1.129 372 I CB 1.664 39.718 38.000 0.090 0.000 1.288 372 I HN -0.212 nan 8.210 nan 0.000 0.444 373 D N 9.139 129.113 120.400 -0.710 0.000 2.412 373 D HA 0.090 4.729 4.640 -0.001 0.000 0.257 373 D C -1.631 174.390 176.300 -0.465 0.000 1.217 373 D CA -1.514 51.885 54.000 -1.003 0.000 0.897 373 D CB 1.619 41.802 40.800 -1.028 0.000 1.132 373 D HN 0.203 nan 8.370 nan 0.000 0.493 374 P HA -0.139 nan 4.420 nan 0.000 0.217 374 P C 0.708 177.826 177.300 -0.303 0.000 1.148 374 P CA 0.899 63.770 63.100 -0.381 0.000 0.828 374 P CB 0.315 31.693 31.700 -0.537 0.000 0.783 375 D N -1.287 118.958 120.400 -0.258 0.000 2.219 375 D HA -0.079 4.561 4.640 -0.001 0.000 0.205 375 D C 1.880 178.145 176.300 -0.058 0.000 0.970 375 D CA 0.923 54.840 54.000 -0.137 0.000 0.851 375 D CB -0.300 40.458 40.800 -0.070 0.000 0.943 375 D HN 0.057 nan 8.370 nan 0.000 0.488 376 V N 1.024 120.879 119.914 -0.100 0.000 2.535 376 V HA -0.062 4.057 4.120 -0.001 0.000 0.246 376 V C 2.411 178.515 176.094 0.017 0.000 1.045 376 V CA 1.441 63.739 62.300 -0.004 0.000 1.058 376 V CB -0.465 31.359 31.823 0.002 0.000 0.689 376 V HN 0.137 nan 8.190 nan 0.000 0.461 377 A N -1.259 121.406 122.820 -0.258 0.000 2.119 377 A HA -0.052 4.268 4.320 -0.001 0.000 0.216 377 A C 1.151 178.581 177.584 -0.256 0.000 1.152 377 A CA 0.150 51.738 52.037 -0.748 0.000 0.708 377 A CB -0.543 17.739 19.000 -1.196 0.000 0.805 377 A HN 0.537 nan 8.150 nan 0.000 0.460 378 Y N 2.097 122.302 120.300 -0.157 0.000 2.810 378 Y HA 0.269 4.819 4.550 -0.001 0.000 0.332 378 Y C 0.696 176.686 175.900 0.151 0.000 1.243 378 Y CA 0.590 58.694 58.100 0.006 0.000 1.537 378 Y CB 0.303 38.763 38.460 0.000 0.000 1.265 378 Y HN 0.392 nan 8.280 nan 0.000 0.572 379 S N 1.276 116.777 115.700 -0.332 0.000 2.655 379 S HA 0.267 4.736 4.470 -0.001 0.000 0.266 379 S C 0.074 174.549 174.600 -0.209 0.000 1.149 379 S CA -0.392 57.694 58.200 -0.190 0.000 0.818 379 S CB 0.844 64.195 63.200 0.252 0.000 1.130 379 S HN 0.460 nan 8.310 nan 0.000 0.476 380 S N 0.373 116.001 115.700 -0.121 0.000 2.555 380 S HA -0.003 4.467 4.470 -0.001 0.000 0.230 380 S C 1.795 176.478 174.600 0.139 0.000 0.978 380 S CA 0.826 58.995 58.200 -0.052 0.000 0.934 380 S CB -0.613 62.516 63.200 -0.119 0.000 0.766 380 S HN 0.562 nan 8.310 nan 0.000 0.533 381 V N 3.243 123.243 119.914 0.144 0.000 2.233 381 V HA -0.157 3.962 4.120 -0.001 0.000 0.247 381 V C -0.330 175.858 176.094 0.157 0.000 1.050 381 V CA 1.871 64.252 62.300 0.135 0.000 1.010 381 V CB -1.780 30.120 31.823 0.129 0.000 0.637 381 V HN 0.359 nan 8.190 nan 0.000 0.444 382 P HA -0.165 nan 4.420 nan 0.000 0.218 382 P C 1.312 178.649 177.300 0.062 0.000 1.149 382 P CA 1.688 64.860 63.100 0.120 0.000 0.817 382 P CB -0.130 31.604 31.700 0.056 0.000 0.785 383 Y N 0.852 121.183 120.300 0.052 0.000 2.089 383 Y HA -0.147 4.403 4.550 -0.001 0.000 0.282 383 Y C 2.676 178.665 175.900 0.149 0.000 1.139 383 Y CA 1.513 59.661 58.100 0.080 0.000 1.123 383 Y CB -0.870 37.605 38.460 0.024 0.000 0.980 383 Y HN -0.049 nan 8.280 nan 0.000 0.493 384 E N -0.310 120.064 120.200 0.290 0.000 2.216 384 E HA -0.057 4.292 4.350 -0.001 0.000 0.192 384 E C 1.974 178.732 176.600 0.264 0.000 0.973 384 E CA 0.342 56.894 56.400 0.253 0.000 0.851 384 E CB -0.157 29.612 29.700 0.115 0.000 0.804 384 E HN 0.376 nan 8.360 nan 0.000 0.477 385 K N 0.877 121.375 120.400 0.164 0.000 2.097 385 K HA -0.079 4.240 4.320 -0.001 0.000 0.205 385 K C 2.065 178.782 176.600 0.195 0.000 1.050 385 K CA 1.316 57.696 56.287 0.155 0.000 0.938 385 K CB -0.207 32.319 32.500 0.043 0.000 0.718 385 K HN 0.112 nan 8.250 nan 0.000 0.442 386 G N 0.661 109.569 108.800 0.179 0.000 2.404 386 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.215 386 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.215 386 G C 1.318 176.368 174.900 0.250 0.000 1.174 386 G CA 0.640 45.872 45.100 0.220 0.000 0.780 386 G HN 0.399 nan 8.290 nan 0.000 0.537 387 F N 2.520 122.583 119.950 0.189 0.000 2.095 387 F HA -0.003 4.523 4.527 -0.001 0.000 0.298 387 F C 2.787 178.742 175.800 0.258 0.000 1.104 387 F CA 1.563 59.691 58.000 0.214 0.000 1.232 387 F CB -0.284 38.833 39.000 0.195 0.000 0.987 387 F HN 0.229 nan 8.300 nan 0.000 0.475 388 A N 0.500 123.540 122.820 0.366 0.000 1.908 388 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 388 A C 2.117 179.792 177.584 0.153 0.000 1.181 388 A CA 1.773 54.062 52.037 0.421 0.000 0.627 388 A CB -1.322 18.136 19.000 0.764 0.000 0.818 388 A HN 0.527 nan 8.150 nan 0.000 0.445 389 L N -0.095 121.094 121.223 -0.057 0.000 2.012 389 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 389 L C 2.283 178.899 176.870 -0.423 0.000 1.073 389 L CA 1.841 56.294 54.840 -0.644 0.000 0.748 389 L CB -0.585 41.118 42.059 -0.593 0.000 0.891 389 L HN 0.426 nan 8.230 nan 0.000 0.431 390 L N -2.096 118.948 121.223 -0.299 0.000 2.093 390 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 390 L C 2.442 178.939 176.870 -0.622 0.000 1.085 390 L CA 1.039 55.610 54.840 -0.448 0.000 0.755 390 L CB -0.735 41.082 42.059 -0.403 0.000 0.904 390 L HN 0.255 nan 8.230 nan 0.000 0.435 391 F N 0.110 119.681 119.950 -0.632 0.000 2.146 391 F HA -0.260 4.266 4.527 -0.001 0.000 0.298 391 F C 2.602 178.151 175.800 -0.419 0.000 1.096 391 F CA 1.169 58.850 58.000 -0.531 0.000 1.275 391 F CB -0.638 37.948 39.000 -0.689 0.000 1.008 391 F HN 0.042 nan 8.300 nan 0.000 0.480 392 Y N 0.565 120.593 120.300 -0.453 0.000 2.128 392 Y HA -0.217 4.332 4.550 -0.001 0.000 0.284 392 Y C 2.038 177.601 175.900 -0.561 0.000 1.154 392 Y CA 1.950 59.758 58.100 -0.488 0.000 1.149 392 Y CB -0.802 37.441 38.460 -0.360 0.000 0.976 392 Y HN 0.101 nan 8.280 nan 0.000 0.505 393 L N 0.333 121.032 121.223 -0.873 0.000 2.046 393 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 393 L C 2.626 178.924 176.870 -0.953 0.000 1.077 393 L CA 1.860 56.127 54.840 -0.955 0.000 0.747 393 L CB -0.767 40.857 42.059 -0.725 0.000 0.896 393 L HN 0.318 nan 8.230 nan 0.000 0.432 394 E N 0.381 119.910 120.200 -1.119 0.000 2.086 394 E HA -0.320 4.029 4.350 -0.001 0.000 0.200 394 E C 2.131 178.486 176.600 -0.409 0.000 1.012 394 E CA 1.865 57.857 56.400 -0.680 0.000 0.812 394 E CB -0.040 29.455 29.700 -0.342 0.000 0.743 394 E HN 0.564 nan 8.360 nan 0.000 0.453 395 Q N -0.272 119.225 119.800 -0.507 0.000 2.230 395 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 395 Q C 2.219 177.997 176.000 -0.371 0.000 0.963 395 Q CA 0.691 56.249 55.803 -0.408 0.000 0.866 395 Q CB 0.035 28.483 28.738 -0.483 0.000 0.931 395 Q HN 0.267 nan 8.270 nan 0.000 0.452 396 L N 0.017 120.935 121.223 -0.508 0.000 2.072 396 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 396 L C 1.554 178.197 176.870 -0.378 0.000 1.079 396 L CA 1.584 56.134 54.840 -0.484 0.000 0.752 396 L CB 0.070 41.691 42.059 -0.730 0.000 0.906 396 L HN 0.155 nan 8.230 nan 0.000 0.436 397 L N -1.253 119.728 121.223 -0.404 0.000 2.607 397 L HA 0.354 4.694 4.340 -0.001 0.000 0.228 397 L C 1.134 177.914 176.870 -0.149 0.000 1.123 397 L CA 0.555 55.174 54.840 -0.367 0.000 0.890 397 L CB -0.042 41.612 42.059 -0.675 0.000 1.103 397 L HN 0.456 nan 8.230 nan 0.000 0.468 398 G N -0.917 107.816 108.800 -0.110 0.000 2.183 398 G HA2 0.100 4.060 3.960 -0.001 0.000 0.168 398 G HA3 0.100 4.060 3.960 -0.001 0.000 0.168 398 G C 0.419 175.338 174.900 0.031 0.000 1.008 398 G CA -0.353 44.734 45.100 -0.022 0.000 0.677 398 G HN 0.722 nan 8.290 nan 0.000 0.498 399 G N -0.822 107.997 108.800 0.032 0.000 2.479 399 G HA2 0.398 4.358 3.960 -0.001 0.000 0.686 399 G HA3 0.398 4.358 3.960 -0.001 0.000 0.686 399 G C -1.192 173.835 174.900 0.211 0.000 1.295 399 G CA 0.240 45.393 45.100 0.089 0.000 0.922 399 G HN 0.536 nan 8.290 nan 0.000 0.582 400 P HA -0.068 nan 4.420 nan 0.000 0.217 400 P C 1.483 178.969 177.300 0.311 0.000 1.150 400 P CA 2.084 65.423 63.100 0.399 0.000 0.832 400 P CB -0.060 31.908 31.700 0.447 0.000 0.787 401 E N 0.058 120.386 120.200 0.214 0.000 2.152 401 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 401 E C 2.204 178.922 176.600 0.198 0.000 0.983 401 E CA 0.604 57.100 56.400 0.159 0.000 0.818 401 E CB -1.019 28.746 29.700 0.109 0.000 0.758 401 E HN 0.191 nan 8.360 nan 0.000 0.467 402 I N 0.349 121.065 120.570 0.243 0.000 2.179 402 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 402 I C 2.287 178.666 176.117 0.437 0.000 1.088 402 I CA 1.205 62.694 61.300 0.316 0.000 1.357 402 I CB -0.221 37.968 38.000 0.315 0.000 1.051 402 I HN 0.062 nan 8.210 nan 0.000 0.409 403 F N 0.908 121.047 119.950 0.315 0.000 2.234 403 F HA -0.110 4.417 4.527 -0.001 0.000 0.299 403 F C 2.158 178.173 175.800 0.359 0.000 1.087 403 F CA 1.299 59.524 58.000 0.376 0.000 1.340 403 F CB -0.096 39.065 39.000 0.268 0.000 1.031 403 F HN -0.093 nan 8.300 nan 0.000 0.500 404 L N -0.788 120.639 121.223 0.340 0.000 2.201 404 L HA -0.114 4.226 4.340 -0.001 0.000 0.212 404 L C 2.676 179.565 176.870 0.031 0.000 1.105 404 L CA 1.073 56.010 54.840 0.162 0.000 0.775 404 L CB -1.255 40.828 42.059 0.041 0.000 0.913 404 L HN 0.267 nan 8.230 nan 0.000 0.440 405 G N -0.110 108.730 108.800 0.067 0.000 2.418 405 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.217 405 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.217 405 G C 1.449 176.231 174.900 -0.197 0.000 1.158 405 G CA 0.676 45.800 45.100 0.039 0.000 0.771 405 G HN 0.338 nan 8.290 nan 0.000 0.545 406 F N 1.078 120.670 119.950 -0.596 0.000 2.095 406 F HA 0.010 4.536 4.527 -0.001 0.000 0.298 406 F C 2.327 177.814 175.800 -0.521 0.000 1.104 406 F CA 1.423 58.730 58.000 -1.155 0.000 1.232 406 F CB -0.458 37.907 39.000 -1.058 0.000 0.987 406 F HN 0.099 nan 8.300 nan 0.000 0.475 407 L N 0.606 121.499 121.223 -0.551 0.000 2.012 407 L HA -0.266 4.073 4.340 -0.001 0.000 0.210 407 L C 2.702 179.443 176.870 -0.216 0.000 1.073 407 L CA 2.106 56.734 54.840 -0.352 0.000 0.748 407 L CB -0.621 41.448 42.059 0.017 0.000 0.891 407 L HN 0.215 nan 8.230 nan 0.000 0.431 408 K N -0.563 119.729 120.400 -0.180 0.000 2.057 408 K HA -0.204 4.116 4.320 -0.001 0.000 0.207 408 K C 1.944 178.458 176.600 -0.144 0.000 1.049 408 K CA 1.342 57.549 56.287 -0.134 0.000 0.931 408 K CB -0.151 32.290 32.500 -0.099 0.000 0.714 408 K HN 0.418 nan 8.250 nan 0.000 0.440 409 A N 0.305 123.020 122.820 -0.174 0.000 1.930 409 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 409 A C 2.018 179.499 177.584 -0.171 0.000 1.175 409 A CA 1.301 53.295 52.037 -0.072 0.000 0.627 409 A CB -0.816 18.241 19.000 0.095 0.000 0.815 409 A HN 0.605 nan 8.150 nan 0.000 0.443 410 Y N 0.758 120.807 120.300 -0.419 0.000 2.145 410 Y HA -0.192 4.358 4.550 -0.001 0.000 0.286 410 Y C 2.220 177.897 175.900 -0.372 0.000 1.145 410 Y CA 1.994 59.776 58.100 -0.531 0.000 1.148 410 Y CB -0.490 37.563 38.460 -0.679 0.000 0.981 410 Y HN 0.053 nan 8.280 nan 0.000 0.507 411 V N 0.846 120.535 119.914 -0.375 0.000 2.295 411 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 411 V C 2.243 178.152 176.094 -0.310 0.000 1.049 411 V CA 2.348 64.450 62.300 -0.329 0.000 1.024 411 V CB -0.716 31.068 31.823 -0.064 0.000 0.648 411 V HN 0.419 nan 8.190 nan 0.000 0.447 412 E N -0.038 120.010 120.200 -0.253 0.000 2.058 412 E HA -0.309 4.041 4.350 -0.001 0.000 0.194 412 E C 2.218 178.614 176.600 -0.341 0.000 0.997 412 E CA 1.697 57.962 56.400 -0.224 0.000 0.801 412 E CB -0.187 29.422 29.700 -0.151 0.000 0.746 412 E HN 0.432 nan 8.360 nan 0.000 0.450 413 K N 0.188 120.249 120.400 -0.566 0.000 2.063 413 K HA -0.133 4.187 4.320 -0.001 0.000 0.208 413 K C 0.945 177.026 176.600 -0.866 0.000 1.048 413 K CA 1.365 57.125 56.287 -0.879 0.000 0.928 413 K CB -0.061 31.459 32.500 -1.634 0.000 0.713 413 K HN 0.048 nan 8.250 nan 0.000 0.442 414 F N 0.493 120.148 119.950 -0.491 0.000 2.654 414 F HA 0.372 4.899 4.527 -0.001 0.000 0.303 414 F C 0.145 175.739 175.800 -0.344 0.000 1.099 414 F CA -0.522 57.233 58.000 -0.408 0.000 1.270 414 F CB 0.064 38.760 39.000 -0.507 0.000 1.024 414 F HN -0.270 nan 8.300 nan 0.000 0.548 415 S N 0.252 115.810 115.700 -0.237 0.000 2.563 415 S HA -0.028 4.442 4.470 -0.001 0.000 0.294 415 S C 0.040 174.479 174.600 -0.269 0.000 1.279 415 S CA 0.334 58.293 58.200 -0.401 0.000 1.069 415 S CB -0.402 62.479 63.200 -0.533 0.000 0.828 415 S HN 0.527 nan 8.310 nan 0.000 0.497 416 Y N -0.658 119.596 120.300 -0.077 0.000 4.841 416 Y HA -0.241 4.309 4.550 -0.001 0.000 0.242 416 Y C 0.505 176.378 175.900 -0.044 0.000 1.002 416 Y CA 0.513 58.572 58.100 -0.070 0.000 2.011 416 Y CB -1.621 36.780 38.460 -0.099 0.000 1.554 416 Y HN 0.413 nan 8.280 nan 0.000 0.618 417 K N 0.247 120.670 120.400 0.038 0.000 2.350 417 K HA 0.794 5.114 4.320 -0.001 0.000 0.241 417 K C -0.205 176.376 176.600 -0.032 0.000 0.994 417 K CA -0.876 55.428 56.287 0.027 0.000 0.839 417 K CB 2.101 34.644 32.500 0.072 0.000 1.244 417 K HN -0.085 nan 8.250 nan 0.000 0.443 418 S N 1.282 116.950 115.700 -0.052 0.000 2.478 418 S HA 0.635 5.105 4.470 -0.001 0.000 0.312 418 S C 0.025 174.533 174.600 -0.153 0.000 1.094 418 S CA -0.846 57.294 58.200 -0.100 0.000 1.081 418 S CB 0.506 63.657 63.200 -0.083 0.000 1.007 418 S HN 0.570 nan 8.310 nan 0.000 0.475 419 I N -0.050 120.385 120.570 -0.226 0.000 3.042 419 I HA 0.822 4.991 4.170 -0.001 0.000 0.310 419 I C -0.085 175.843 176.117 -0.315 0.000 1.117 419 I CA -0.889 60.223 61.300 -0.313 0.000 1.003 419 I CB 2.237 39.892 38.000 -0.575 0.000 1.228 419 I HN 0.563 nan 8.210 nan 0.000 0.443 420 T N -0.988 113.355 114.554 -0.353 0.000 2.936 420 T HA 0.342 4.691 4.350 -0.001 0.000 0.282 420 T C 0.916 175.451 174.700 -0.275 0.000 1.003 420 T CA -0.087 61.664 62.100 -0.581 0.000 1.005 420 T CB 1.410 69.936 68.868 -0.570 0.000 1.097 420 T HN 0.709 nan 8.240 nan 0.000 0.532 421 T N 1.047 115.501 114.554 -0.166 0.000 2.699 421 T HA -0.146 4.204 4.350 -0.001 0.000 0.268 421 T C 1.465 176.383 174.700 0.365 0.000 1.036 421 T CA 1.786 64.090 62.100 0.340 0.000 1.147 421 T CB -0.586 68.673 68.868 0.652 0.000 0.862 421 T HN 0.667 nan 8.240 nan 0.000 0.446 422 D N 1.130 121.652 120.400 0.204 0.000 2.144 422 D HA -0.101 4.539 4.640 -0.001 0.000 0.199 422 D C 1.932 178.312 176.300 0.133 0.000 0.984 422 D CA 0.986 55.081 54.000 0.159 0.000 0.834 422 D CB -0.318 40.545 40.800 0.105 0.000 0.955 422 D HN 0.380 nan 8.370 nan 0.000 0.465 423 D N -0.000 120.441 120.400 0.069 0.000 2.104 423 D HA -0.163 4.477 4.640 -0.001 0.000 0.194 423 D C 1.874 178.283 176.300 0.182 0.000 0.994 423 D CA 0.618 54.640 54.000 0.036 0.000 0.830 423 D CB -0.563 40.085 40.800 -0.253 0.000 0.959 423 D HN 0.365 nan 8.370 nan 0.000 0.452 424 W N 2.325 123.642 121.300 0.029 0.000 2.335 424 W HA -0.169 4.490 4.660 -0.001 0.000 0.311 424 W C 2.332 179.057 176.519 0.344 0.000 1.213 424 W CA 1.687 59.174 57.345 0.238 0.000 1.274 424 W CB -0.118 29.428 29.460 0.144 0.000 1.148 424 W HN -0.155 nan 8.180 nan 0.000 0.498 425 K N 0.060 120.578 120.400 0.197 0.000 2.057 425 K HA -0.195 4.125 4.320 -0.001 0.000 0.206 425 K C 1.663 178.218 176.600 -0.076 0.000 1.050 425 K CA 1.927 58.100 56.287 -0.190 0.000 0.935 425 K CB -0.448 31.999 32.500 -0.088 0.000 0.715 425 K HN 0.007 nan 8.250 nan 0.000 0.439 426 D N 0.240 120.669 120.400 0.048 0.000 2.104 426 D HA -0.194 4.446 4.640 -0.001 0.000 0.194 426 D C 1.588 178.017 176.300 0.215 0.000 0.994 426 D CA 1.049 55.109 54.000 0.101 0.000 0.830 426 D CB -0.294 40.588 40.800 0.137 0.000 0.959 426 D HN 0.193 nan 8.370 nan 0.000 0.452 427 F N 0.854 120.917 119.950 0.188 0.000 2.186 427 F HA -0.071 4.456 4.527 -0.001 0.000 0.299 427 F C 2.080 178.021 175.800 0.234 0.000 1.090 427 F CA 0.494 58.651 58.000 0.261 0.000 1.307 427 F CB -0.323 38.958 39.000 0.468 0.000 1.019 427 F HN -0.101 nan 8.300 nan 0.000 0.489 428 L N -0.360 120.856 121.223 -0.011 0.000 1.990 428 L HA -0.277 4.063 4.340 -0.001 0.000 0.213 428 L C 2.109 178.895 176.870 -0.141 0.000 1.072 428 L CA 2.029 56.678 54.840 -0.318 0.000 0.755 428 L CB -1.226 40.400 42.059 -0.722 0.000 0.889 428 L HN 0.180 nan 8.230 nan 0.000 0.432 429 Y N -0.899 119.299 120.300 -0.170 0.000 2.224 429 Y HA -0.238 4.312 4.550 -0.001 0.000 0.289 429 Y C 3.053 178.902 175.900 -0.084 0.000 1.146 429 Y CA 1.815 59.863 58.100 -0.085 0.000 1.182 429 Y CB -0.739 37.667 38.460 -0.089 0.000 0.983 429 Y HN 0.372 nan 8.280 nan 0.000 0.524 430 S N -0.985 114.723 115.700 0.013 0.000 2.345 430 S HA -0.276 4.193 4.470 -0.001 0.000 0.220 430 S C 2.038 176.503 174.600 -0.224 0.000 1.031 430 S CA 1.322 59.473 58.200 -0.082 0.000 0.996 430 S CB -0.761 62.407 63.200 -0.053 0.000 0.882 430 S HN 0.548 nan 8.310 nan 0.000 0.445 431 Y N 0.629 120.589 120.300 -0.568 0.000 2.181 431 Y HA 0.034 4.584 4.550 -0.001 0.000 0.288 431 Y C 0.782 176.327 175.900 -0.592 0.000 1.146 431 Y CA 1.574 59.276 58.100 -0.663 0.000 1.164 431 Y CB -0.191 37.768 38.460 -0.834 0.000 0.982 431 Y HN 0.322 nan 8.280 nan 0.000 0.515 432 F N 0.960 120.813 119.950 -0.161 0.000 2.974 432 F HA 0.246 4.773 4.527 -0.001 0.000 0.292 432 F C 1.606 177.286 175.800 -0.200 0.000 1.209 432 F CA -0.360 57.523 58.000 -0.194 0.000 1.366 432 F CB -0.349 38.526 39.000 -0.209 0.000 1.033 432 F HN -0.095 nan 8.300 nan 0.000 0.516 433 K N 0.305 120.651 120.400 -0.090 0.000 2.127 433 K HA -0.221 4.099 4.320 -0.001 0.000 0.208 433 K C 0.917 177.498 176.600 -0.032 0.000 1.047 433 K CA 1.863 58.116 56.287 -0.056 0.000 0.927 433 K CB 0.056 32.501 32.500 -0.091 0.000 0.716 433 K HN 0.197 nan 8.250 nan 0.000 0.450 434 D N -0.280 120.097 120.400 -0.038 0.000 2.340 434 D HA 0.003 4.642 4.640 -0.001 0.000 0.220 434 D C 0.263 176.557 176.300 -0.010 0.000 1.039 434 D CA 0.727 54.713 54.000 -0.024 0.000 0.866 434 D CB 0.453 41.232 40.800 -0.035 0.000 0.913 434 D HN 0.166 nan 8.370 nan 0.000 0.523 435 K N 0.122 120.518 120.400 -0.007 0.000 2.706 435 K HA 0.114 4.433 4.320 -0.001 0.000 0.203 435 K C 1.168 177.706 176.600 -0.102 0.000 1.102 435 K CA -0.043 56.214 56.287 -0.048 0.000 1.058 435 K CB 1.640 34.107 32.500 -0.055 0.000 0.779 435 K HN -0.149 nan 8.250 nan 0.000 0.483 436 V N 1.094 120.969 119.914 -0.067 0.000 2.594 436 V HA -0.231 3.888 4.120 -0.001 0.000 0.253 436 V C 1.239 177.333 176.094 -0.001 0.000 1.069 436 V CA 2.048 64.311 62.300 -0.062 0.000 1.082 436 V CB -0.012 31.850 31.823 0.065 0.000 0.680 436 V HN 0.327 nan 8.190 nan 0.000 0.469 437 D N -0.136 120.263 120.400 -0.001 0.000 2.117 437 D HA -0.110 4.529 4.640 -0.001 0.000 0.198 437 D C 2.218 178.510 176.300 -0.014 0.000 0.982 437 D CA 1.637 55.646 54.000 0.014 0.000 0.828 437 D CB -0.218 40.586 40.800 0.006 0.000 0.967 437 D HN 0.461 nan 8.370 nan 0.000 0.464 438 V N 1.600 121.473 119.914 -0.068 0.000 2.295 438 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 438 V C 2.739 178.752 176.094 -0.135 0.000 1.049 438 V CA 1.148 63.378 62.300 -0.116 0.000 1.024 438 V CB -0.561 31.158 31.823 -0.174 0.000 0.648 438 V HN 0.180 nan 8.190 nan 0.000 0.447 439 L N 0.157 121.281 121.223 -0.166 0.000 2.079 439 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 439 L C 2.145 179.115 176.870 0.166 0.000 1.081 439 L CA 2.028 56.788 54.840 -0.133 0.000 0.752 439 L CB -0.777 40.971 42.059 -0.519 0.000 0.896 439 L HN 0.469 nan 8.230 nan 0.000 0.433 440 N N -0.761 118.054 118.700 0.192 0.000 2.573 440 N HA -0.159 4.580 4.740 -0.001 0.000 0.187 440 N C 1.560 177.166 175.510 0.159 0.000 1.107 440 N CA 0.269 53.491 53.050 0.286 0.000 0.918 440 N CB 0.062 38.690 38.487 0.234 0.000 0.966 440 N HN 0.457 nan 8.380 nan 0.000 0.448 441 Q N 0.202 120.036 119.800 0.057 0.000 2.378 441 Q HA 0.060 4.400 4.340 -0.001 0.000 0.205 441 Q C 0.058 176.053 176.000 -0.009 0.000 0.954 441 Q CA 0.255 56.071 55.803 0.021 0.000 0.901 441 Q CB 0.496 29.228 28.738 -0.010 0.000 0.981 441 Q HN 0.134 nan 8.270 nan 0.000 0.483 442 V N 2.410 122.249 119.914 -0.125 0.000 2.655 442 V HA -0.058 4.062 4.120 -0.001 0.000 0.300 442 V C 0.252 176.177 176.094 -0.283 0.000 1.044 442 V CA 0.004 62.108 62.300 -0.328 0.000 1.095 442 V CB 0.861 32.050 31.823 -1.055 0.000 0.952 442 V HN 0.136 nan 8.190 nan 0.000 0.485 443 D N 3.898 124.272 120.400 -0.042 0.000 2.551 443 D HA 0.080 4.719 4.640 -0.001 0.000 0.223 443 D C 0.747 177.144 176.300 0.162 0.000 1.144 443 D CA -0.123 53.920 54.000 0.072 0.000 1.025 443 D CB 0.009 40.845 40.800 0.060 0.000 1.085 443 D HN 0.580 nan 8.370 nan 0.000 0.506 444 W N 1.986 123.457 121.300 0.285 0.000 2.338 444 W HA -0.204 4.456 4.660 -0.001 0.000 0.304 444 W C 2.252 178.918 176.519 0.245 0.000 1.212 444 W CA 0.780 58.288 57.345 0.272 0.000 1.264 444 W CB -0.306 29.303 29.460 0.248 0.000 1.142 444 W HN 0.356 nan 8.180 nan 0.000 0.512 445 N N 0.269 119.248 118.700 0.465 0.000 2.166 445 N HA -0.161 4.579 4.740 -0.001 0.000 0.186 445 N C 1.667 177.348 175.510 0.286 0.000 1.019 445 N CA 2.083 55.387 53.050 0.423 0.000 0.856 445 N CB -0.455 38.220 38.487 0.312 0.000 0.993 445 N HN 0.053 nan 8.380 nan 0.000 0.426 446 A N -0.439 122.483 122.820 0.169 0.000 1.854 446 A HA -0.040 4.280 4.320 -0.001 0.000 0.214 446 A C 2.040 179.611 177.584 -0.022 0.000 1.192 446 A CA 1.080 53.131 52.037 0.023 0.000 0.611 446 A CB -1.365 17.578 19.000 -0.094 0.000 0.832 446 A HN 0.544 nan 8.150 nan 0.000 0.442 447 W N 0.222 121.484 121.300 -0.064 0.000 2.318 447 W HA -0.174 4.485 4.660 -0.001 0.000 0.313 447 W C 2.124 178.518 176.519 -0.210 0.000 1.221 447 W CA 1.608 58.873 57.345 -0.134 0.000 1.266 447 W CB -0.277 29.098 29.460 -0.142 0.000 1.150 447 W HN 0.233 nan 8.180 nan 0.000 0.496 448 L N -2.497 118.732 121.223 0.009 0.000 2.209 448 L HA -0.089 4.250 4.340 -0.001 0.000 0.207 448 L C 1.158 177.710 176.870 -0.530 0.000 1.094 448 L CA 0.945 55.517 54.840 -0.446 0.000 0.790 448 L CB -0.453 41.117 42.059 -0.814 0.000 0.932 448 L HN 0.052 nan 8.230 nan 0.000 0.447 449 Y N -1.820 118.534 120.300 0.090 0.000 2.499 449 Y HA 0.260 4.809 4.550 -0.001 0.000 0.253 449 Y C 0.938 176.857 175.900 0.032 0.000 1.105 449 Y CA -0.700 57.439 58.100 0.066 0.000 1.240 449 Y CB 0.349 38.862 38.460 0.090 0.000 1.289 449 Y HN -0.142 nan 8.280 nan 0.000 0.534 450 S N 3.591 119.362 115.700 0.117 0.000 2.578 450 S HA 0.400 4.870 4.470 -0.001 0.000 0.283 450 S C -2.470 172.129 174.600 -0.002 0.000 1.195 450 S CA -1.272 56.956 58.200 0.047 0.000 1.050 450 S CB 1.249 64.453 63.200 0.007 0.000 1.012 450 S HN -0.053 nan 8.310 nan 0.000 0.511 451 P HA 0.465 nan 4.420 nan 0.000 0.275 451 P C 0.494 177.765 177.300 -0.048 0.000 1.266 451 P CA 0.188 63.279 63.100 -0.015 0.000 0.793 451 P CB 0.109 31.806 31.700 -0.004 0.000 1.074 452 G N -0.839 107.934 108.800 -0.045 0.000 2.698 452 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.225 452 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.225 452 G C -0.721 174.095 174.900 -0.140 0.000 1.345 452 G CA -0.655 44.401 45.100 -0.073 0.000 0.871 452 G HN 0.572 nan 8.290 nan 0.000 0.540 453 L N 1.575 122.698 121.223 -0.166 0.000 2.483 453 L HA 0.256 4.596 4.340 -0.001 0.000 0.275 453 L C -1.287 175.413 176.870 -0.284 0.000 1.220 453 L CA -1.157 53.532 54.840 -0.251 0.000 0.833 453 L CB 0.172 42.119 42.059 -0.186 0.000 1.102 453 L HN 0.429 nan 8.230 nan 0.000 0.490 454 P HA 0.047 nan 4.420 nan 0.000 0.270 454 P C -1.965 174.975 177.300 -0.599 0.000 1.223 454 P CA -0.985 61.679 63.100 -0.727 0.000 0.785 454 P CB -0.064 31.066 31.700 -0.951 0.000 0.923 455 P HA 0.022 nan 4.420 nan 0.000 0.226 455 P C 0.145 177.235 177.300 -0.350 0.000 1.153 455 P CA 1.449 64.257 63.100 -0.485 0.000 0.777 455 P CB 0.503 31.911 31.700 -0.486 0.000 0.794 456 I N -0.595 119.721 120.570 -0.423 0.000 2.569 456 I HA 0.272 4.441 4.170 -0.001 0.000 0.290 456 I C 0.038 176.078 176.117 -0.129 0.000 1.088 456 I CA -1.149 60.003 61.300 -0.248 0.000 1.047 456 I CB 3.187 40.976 38.000 -0.352 0.000 1.237 456 I HN -0.300 nan 8.210 nan 0.000 0.421 457 K N 7.327 127.633 120.400 -0.157 0.000 2.201 457 K HA 0.512 4.832 4.320 -0.001 0.000 0.278 457 K C -2.454 173.999 176.600 -0.246 0.000 1.027 457 K CA -1.304 54.743 56.287 -0.401 0.000 0.909 457 K CB 1.249 33.336 32.500 -0.687 0.000 1.062 457 K HN 0.171 nan 8.250 nan 0.000 0.465 458 P HA 0.041 nan 4.420 nan 0.000 0.274 458 P C -1.137 175.883 177.300 -0.466 0.000 1.264 458 P CA -0.397 62.500 63.100 -0.338 0.000 0.795 458 P CB 0.432 31.857 31.700 -0.458 0.000 1.064 459 N N 0.457 118.851 118.700 -0.509 0.000 2.434 459 N HA 0.213 4.952 4.740 -0.001 0.000 0.272 459 N C -0.953 174.385 175.510 -0.287 0.000 1.040 459 N CA 0.036 52.912 53.050 -0.290 0.000 0.956 459 N CB 0.172 38.548 38.487 -0.185 0.000 1.108 459 N HN 0.347 nan 8.380 nan 0.000 0.481 460 Y N -0.383 120.010 120.300 0.154 0.000 2.350 460 Y HA 0.163 4.713 4.550 -0.001 0.000 0.338 460 Y C 0.407 176.478 175.900 0.285 0.000 0.961 460 Y CA -1.211 57.102 58.100 0.355 0.000 1.100 460 Y CB 1.169 39.769 38.460 0.233 0.000 1.179 460 Y HN 0.444 nan 8.280 nan 0.000 0.454 461 D N 2.912 123.595 120.400 0.472 0.000 2.533 461 D HA -0.012 4.628 4.640 -0.001 0.000 0.236 461 D C 0.597 177.049 176.300 0.253 0.000 1.137 461 D CA 0.475 54.580 54.000 0.175 0.000 0.867 461 D CB 0.763 41.509 40.800 -0.090 0.000 1.170 461 D HN 0.429 nan 8.370 nan 0.000 0.474 462 M N 2.577 122.283 119.600 0.176 0.000 2.428 462 M HA 0.010 4.489 4.480 -0.001 0.000 0.239 462 M C 1.677 178.076 176.300 0.165 0.000 1.121 462 M CA 0.220 55.623 55.300 0.171 0.000 1.019 462 M CB -0.557 32.120 32.600 0.127 0.000 1.485 462 M HN 0.424 nan 8.290 nan 0.000 0.484 463 T N 1.796 116.436 114.554 0.143 0.000 2.607 463 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 463 T C 1.912 176.687 174.700 0.126 0.000 1.049 463 T CA 1.451 63.618 62.100 0.112 0.000 1.162 463 T CB -0.283 68.636 68.868 0.085 0.000 0.863 463 T HN 0.361 nan 8.240 nan 0.000 0.424 464 L N 0.507 121.827 121.223 0.163 0.000 2.395 464 L HA -0.000 4.339 4.340 -0.001 0.000 0.218 464 L C 2.615 179.630 176.870 0.243 0.000 1.130 464 L CA 0.828 55.733 54.840 0.109 0.000 0.826 464 L CB -0.534 41.507 42.059 -0.031 0.000 0.941 464 L HN 0.319 nan 8.230 nan 0.000 0.451 465 T N -1.283 113.490 114.554 0.366 0.000 3.009 465 T HA -0.043 4.307 4.350 -0.001 0.000 0.258 465 T C 1.551 176.391 174.700 0.232 0.000 1.063 465 T CA 0.726 63.053 62.100 0.378 0.000 1.139 465 T CB -0.173 68.856 68.868 0.267 0.000 0.890 465 T HN 0.378 nan 8.240 nan 0.000 0.471 466 N N 1.645 120.450 118.700 0.174 0.000 2.061 466 N HA -0.135 4.605 4.740 -0.001 0.000 0.193 466 N C 2.165 177.756 175.510 0.134 0.000 1.030 466 N CA 1.168 54.298 53.050 0.133 0.000 0.856 466 N CB -0.187 38.362 38.487 0.104 0.000 1.023 466 N HN 0.350 nan 8.380 nan 0.000 0.424 467 A N 0.554 123.450 122.820 0.127 0.000 1.933 467 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 467 A C 2.429 180.105 177.584 0.155 0.000 1.175 467 A CA 1.107 53.212 52.037 0.114 0.000 0.628 467 A CB -0.886 18.159 19.000 0.075 0.000 0.814 467 A HN 0.498 nan 8.150 nan 0.000 0.444 468 C N -0.635 118.789 119.300 0.206 0.000 2.432 468 C HA -0.064 4.395 4.460 -0.001 0.000 0.277 468 C C 2.525 177.698 174.990 0.305 0.000 1.249 468 C CA 0.880 60.071 59.018 0.288 0.000 1.725 468 C CB -1.374 26.556 27.740 0.317 0.000 2.028 468 C HN 0.623 nan 8.230 nan 0.000 0.477 469 I N 1.540 122.244 120.570 0.224 0.000 2.202 469 I HA -0.189 3.980 4.170 -0.001 0.000 0.242 469 I C 2.836 179.078 176.117 0.207 0.000 1.091 469 I CA 1.501 62.915 61.300 0.191 0.000 1.368 469 I CB -0.656 37.426 38.000 0.137 0.000 1.058 469 I HN 0.282 nan 8.210 nan 0.000 0.410 470 A N 0.820 123.751 122.820 0.184 0.000 1.873 470 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 470 A C 2.258 179.983 177.584 0.235 0.000 1.193 470 A CA 1.846 53.986 52.037 0.172 0.000 0.629 470 A CB -0.931 18.146 19.000 0.128 0.000 0.826 470 A HN 0.378 nan 8.150 nan 0.000 0.447 471 L N -0.344 121.043 121.223 0.273 0.000 2.056 471 L HA -0.077 4.263 4.340 -0.001 0.000 0.207 471 L C 2.663 179.932 176.870 0.664 0.000 1.078 471 L CA 2.478 57.536 54.840 0.364 0.000 0.749 471 L CB -0.785 41.346 42.059 0.120 0.000 0.901 471 L HN 0.379 nan 8.230 nan 0.000 0.433 472 S N -1.282 114.839 115.700 0.702 0.000 2.359 472 S HA -0.238 4.232 4.470 -0.001 0.000 0.224 472 S C 1.992 176.845 174.600 0.421 0.000 1.035 472 S CA 1.375 59.920 58.200 0.575 0.000 1.018 472 S CB -0.247 63.117 63.200 0.273 0.000 0.876 472 S HN 0.565 nan 8.310 nan 0.000 0.448 473 Q N 0.742 120.730 119.800 0.313 0.000 2.124 473 Q HA -0.032 4.307 4.340 -0.001 0.000 0.202 473 Q C 2.391 178.550 176.000 0.264 0.000 0.977 473 Q CA 1.173 57.120 55.803 0.239 0.000 0.850 473 Q CB -0.429 28.412 28.738 0.171 0.000 0.901 473 Q HN 0.584 nan 8.270 nan 0.000 0.429 474 R N -0.906 119.779 120.500 0.308 0.000 2.083 474 R HA -0.175 4.165 4.340 -0.001 0.000 0.237 474 R C 2.121 178.656 176.300 0.393 0.000 1.137 474 R CA 1.567 57.843 56.100 0.295 0.000 0.951 474 R CB -0.299 30.187 30.300 0.311 0.000 0.851 474 R HN 0.317 nan 8.270 nan 0.000 0.434 475 W N 0.705 122.231 121.300 0.377 0.000 2.379 475 W HA -0.054 4.606 4.660 -0.001 0.000 0.307 475 W C 2.030 178.719 176.519 0.283 0.000 1.200 475 W CA 0.693 58.181 57.345 0.239 0.000 1.297 475 W CB -0.279 29.251 29.460 0.117 0.000 1.140 475 W HN 0.002 nan 8.180 nan 0.000 0.507 476 I N -0.037 120.790 120.570 0.428 0.000 2.226 476 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 476 I C 2.461 178.707 176.117 0.216 0.000 1.100 476 I CA 1.906 63.363 61.300 0.262 0.000 1.374 476 I CB -0.851 37.251 38.000 0.171 0.000 1.057 476 I HN 0.016 nan 8.210 nan 0.000 0.413 477 T N -1.245 113.437 114.554 0.214 0.000 3.100 477 T HA 0.321 4.670 4.350 -0.001 0.000 0.253 477 T C 0.868 175.673 174.700 0.175 0.000 1.118 477 T CA 0.042 62.237 62.100 0.158 0.000 1.058 477 T CB -0.304 68.633 68.868 0.115 0.000 0.953 477 T HN 0.207 nan 8.240 nan 0.000 0.515 478 A N 1.406 124.382 122.820 0.260 0.000 2.498 478 A HA 0.538 4.858 4.320 -0.001 0.000 0.239 478 A C 0.272 178.027 177.584 0.285 0.000 1.068 478 A CA -0.324 51.842 52.037 0.215 0.000 0.766 478 A CB 0.190 19.319 19.000 0.215 0.000 1.003 478 A HN 0.439 nan 8.150 nan 0.000 0.497 479 K N 0.133 120.613 120.400 0.134 0.000 2.267 479 K HA 0.314 4.634 4.320 -0.001 0.000 0.236 479 K C 1.262 177.904 176.600 0.071 0.000 1.030 479 K CA -0.179 56.194 56.287 0.143 0.000 0.930 479 K CB 0.590 33.134 32.500 0.073 0.000 1.182 479 K HN 0.796 nan 8.250 nan 0.000 0.474 480 E N 0.921 121.172 120.200 0.086 0.000 2.097 480 E HA -0.279 4.071 4.350 -0.001 0.000 0.196 480 E C 0.737 177.318 176.600 -0.032 0.000 1.000 480 E CA 2.055 58.472 56.400 0.028 0.000 0.804 480 E CB 0.014 29.738 29.700 0.041 0.000 0.740 480 E HN 0.657 nan 8.360 nan 0.000 0.454 481 D N -0.059 120.323 120.400 -0.030 0.000 2.378 481 D HA -0.158 4.482 4.640 -0.001 0.000 0.227 481 D C 0.786 177.024 176.300 -0.102 0.000 1.012 481 D CA 0.694 54.660 54.000 -0.057 0.000 0.905 481 D CB -0.175 40.599 40.800 -0.043 0.000 0.895 481 D HN 0.229 nan 8.370 nan 0.000 0.532 482 D N 0.010 120.335 120.400 -0.126 0.000 2.366 482 D HA 0.080 4.720 4.640 -0.001 0.000 0.205 482 D C 2.206 178.313 176.300 -0.322 0.000 1.022 482 D CA -0.068 53.794 54.000 -0.230 0.000 0.868 482 D CB 0.435 41.109 40.800 -0.211 0.000 0.953 482 D HN 0.282 nan 8.370 nan 0.000 0.514 483 L N 0.913 122.024 121.223 -0.186 0.000 2.131 483 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 483 L C 2.183 178.994 176.870 -0.099 0.000 1.092 483 L CA 0.833 55.616 54.840 -0.095 0.000 0.759 483 L CB -0.454 41.548 42.059 -0.094 0.000 0.903 483 L HN -0.003 nan 8.230 nan 0.000 0.435 484 N N 0.132 118.745 118.700 -0.144 0.000 2.223 484 N HA -0.200 4.540 4.740 -0.001 0.000 0.185 484 N C 1.973 177.375 175.510 -0.181 0.000 1.016 484 N CA 1.412 54.386 53.050 -0.127 0.000 0.863 484 N CB 0.028 38.450 38.487 -0.109 0.000 0.983 484 N HN 0.332 nan 8.380 nan 0.000 0.429 485 S N -1.286 114.215 115.700 -0.331 0.000 2.453 485 S HA 0.003 4.473 4.470 -0.001 0.000 0.231 485 S C 0.411 174.759 174.600 -0.421 0.000 1.005 485 S CA -0.019 57.941 58.200 -0.400 0.000 0.949 485 S CB -0.604 62.285 63.200 -0.519 0.000 0.774 485 S HN 0.144 nan 8.310 nan 0.000 0.510 486 F N 2.905 122.695 119.950 -0.265 0.000 2.459 486 F HA 0.534 5.061 4.527 -0.001 0.000 0.346 486 F C 0.923 176.651 175.800 -0.120 0.000 1.128 486 F CA -0.571 57.288 58.000 -0.236 0.000 1.268 486 F CB 0.336 39.063 39.000 -0.456 0.000 1.161 486 F HN 0.213 nan 8.300 nan 0.000 0.583 487 N N 0.382 119.204 118.700 0.203 0.000 2.504 487 N HA 0.282 5.022 4.740 -0.001 0.000 0.268 487 N C 0.236 175.895 175.510 0.249 0.000 1.184 487 N CA 0.029 53.157 53.050 0.131 0.000 0.875 487 N CB 1.939 40.463 38.487 0.061 0.000 1.630 487 N HN 0.583 nan 8.380 nan 0.000 0.486 488 A N 1.332 124.255 122.820 0.171 0.000 2.009 488 A HA -0.234 4.085 4.320 -0.001 0.000 0.222 488 A C 1.917 179.564 177.584 0.105 0.000 1.175 488 A CA 2.966 55.106 52.037 0.173 0.000 0.651 488 A CB -1.263 17.780 19.000 0.072 0.000 0.815 488 A HN 0.876 nan 8.150 nan 0.000 0.459 489 T N -2.321 112.281 114.554 0.080 0.000 2.929 489 T HA -0.158 4.192 4.350 -0.001 0.000 0.271 489 T C 1.171 175.892 174.700 0.035 0.000 1.085 489 T CA 1.421 63.545 62.100 0.039 0.000 1.125 489 T CB -0.551 68.332 68.868 0.025 0.000 0.874 489 T HN 0.461 nan 8.240 nan 0.000 0.494 490 D N 1.721 122.177 120.400 0.093 0.000 2.228 490 D HA -0.037 4.602 4.640 -0.001 0.000 0.203 490 D C 1.799 178.049 176.300 -0.084 0.000 0.988 490 D CA 0.887 54.923 54.000 0.061 0.000 0.864 490 D CB -0.202 40.733 40.800 0.224 0.000 0.928 490 D HN 0.467 nan 8.370 nan 0.000 0.469 491 L N -0.100 121.034 121.223 -0.148 0.000 2.567 491 L HA 0.101 4.441 4.340 -0.001 0.000 0.225 491 L C 2.160 178.968 176.870 -0.103 0.000 1.119 491 L CA -0.080 54.637 54.840 -0.205 0.000 0.871 491 L CB -0.071 41.818 42.059 -0.283 0.000 1.036 491 L HN -0.110 nan 8.230 nan 0.000 0.459 492 K N 0.961 121.324 120.400 -0.061 0.000 2.066 492 K HA -0.246 4.073 4.320 -0.001 0.000 0.221 492 K C 0.759 177.336 176.600 -0.038 0.000 1.056 492 K CA 2.175 58.439 56.287 -0.038 0.000 0.950 492 K CB 0.051 32.538 32.500 -0.022 0.000 0.726 492 K HN 0.298 nan 8.250 nan 0.000 0.456 493 D N -0.099 120.278 120.400 -0.038 0.000 2.424 493 D HA 0.104 4.743 4.640 -0.001 0.000 0.220 493 D C -0.410 175.867 176.300 -0.039 0.000 1.150 493 D CA 0.138 54.118 54.000 -0.033 0.000 0.831 493 D CB 0.309 41.096 40.800 -0.022 0.000 0.981 493 D HN 0.157 nan 8.370 nan 0.000 0.500 494 L N 1.392 122.586 121.223 -0.049 0.000 2.295 494 L HA 0.231 4.571 4.340 -0.001 0.000 0.285 494 L C 1.078 177.922 176.870 -0.043 0.000 1.035 494 L CA -0.605 54.208 54.840 -0.046 0.000 0.806 494 L CB 1.623 43.648 42.059 -0.055 0.000 1.214 494 L HN -0.091 nan 8.230 nan 0.000 0.426 495 S N 0.456 116.131 115.700 -0.041 0.000 2.608 495 S HA 0.070 4.540 4.470 -0.001 0.000 0.261 495 S C 1.303 175.888 174.600 -0.025 0.000 1.314 495 S CA -0.147 58.034 58.200 -0.032 0.000 0.992 495 S CB 1.347 64.541 63.200 -0.010 0.000 0.935 495 S HN 0.752 nan 8.310 nan 0.000 0.564 496 S N 0.422 116.075 115.700 -0.078 0.000 2.383 496 S HA -0.260 4.210 4.470 -0.001 0.000 0.229 496 S C 1.472 176.009 174.600 -0.105 0.000 1.030 496 S CA 1.699 59.821 58.200 -0.130 0.000 1.002 496 S CB -1.276 61.799 63.200 -0.208 0.000 0.829 496 S HN 0.877 nan 8.310 nan 0.000 0.467 497 H N 1.481 120.584 119.070 0.056 0.000 2.353 497 H HA 0.052 4.607 4.556 -0.001 0.000 0.300 497 H C 2.554 178.036 175.328 0.258 0.000 1.090 497 H CA 1.848 58.012 56.048 0.193 0.000 1.327 497 H CB -0.296 29.622 29.762 0.260 0.000 1.383 497 H HN 0.510 nan 8.280 nan 0.000 0.508 498 Q N -0.255 119.669 119.800 0.206 0.000 2.172 498 Q HA -0.092 4.247 4.340 -0.001 0.000 0.200 498 Q C 2.030 178.159 176.000 0.215 0.000 0.964 498 Q CA 0.774 56.703 55.803 0.211 0.000 0.855 498 Q CB -0.010 28.759 28.738 0.050 0.000 0.918 498 Q HN 0.293 nan 8.270 nan 0.000 0.444 499 L N 1.149 122.443 121.223 0.118 0.000 2.056 499 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 499 L C 1.932 178.861 176.870 0.099 0.000 1.078 499 L CA 1.691 56.587 54.840 0.094 0.000 0.749 499 L CB -0.482 41.571 42.059 -0.009 0.000 0.901 499 L HN 0.177 nan 8.230 nan 0.000 0.433 500 N N -0.598 118.147 118.700 0.075 0.000 2.120 500 N HA -0.251 4.489 4.740 -0.001 0.000 0.188 500 N C 1.872 177.429 175.510 0.079 0.000 1.024 500 N CA 1.466 54.545 53.050 0.048 0.000 0.852 500 N CB -0.058 38.476 38.487 0.079 0.000 1.003 500 N HN 0.363 nan 8.380 nan 0.000 0.424 501 E N -0.369 119.946 120.200 0.191 0.000 2.072 501 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 501 E C 1.728 178.407 176.600 0.131 0.000 0.985 501 E CA 0.815 57.307 56.400 0.154 0.000 0.801 501 E CB -0.700 29.163 29.700 0.272 0.000 0.750 501 E HN 0.448 nan 8.360 nan 0.000 0.452 502 F N 0.784 120.774 119.950 0.067 0.000 2.091 502 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 502 F C 1.745 177.540 175.800 -0.007 0.000 1.103 502 F CA 1.709 59.734 58.000 0.042 0.000 1.228 502 F CB -0.464 38.556 39.000 0.034 0.000 0.984 502 F HN 0.085 nan 8.300 nan 0.000 0.477 503 L N -0.131 120.867 121.223 -0.376 0.000 2.093 503 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 503 L C 2.836 179.518 176.870 -0.314 0.000 1.085 503 L CA 1.018 55.566 54.840 -0.487 0.000 0.755 503 L CB -1.122 40.746 42.059 -0.318 0.000 0.904 503 L HN 0.286 nan 8.230 nan 0.000 0.435 504 A N -0.692 122.019 122.820 -0.180 0.000 1.877 504 A HA -0.223 4.097 4.320 -0.001 0.000 0.216 504 A C 2.261 179.764 177.584 -0.136 0.000 1.186 504 A CA 1.303 53.261 52.037 -0.131 0.000 0.620 504 A CB -0.397 18.558 19.000 -0.075 0.000 0.822 504 A HN 0.369 nan 8.150 nan 0.000 0.443 505 Q N -0.491 119.235 119.800 -0.124 0.000 2.061 505 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 505 Q C 2.227 178.149 176.000 -0.129 0.000 0.984 505 Q CA 2.193 57.944 55.803 -0.087 0.000 0.846 505 Q CB -0.970 27.757 28.738 -0.019 0.000 0.902 505 Q HN 0.692 nan 8.270 nan 0.000 0.421 506 T N 1.750 116.151 114.554 -0.254 0.000 2.812 506 T HA -0.095 4.255 4.350 -0.001 0.000 0.264 506 T C 1.886 176.470 174.700 -0.193 0.000 1.042 506 T CA 0.703 62.651 62.100 -0.254 0.000 1.140 506 T CB -0.270 68.304 68.868 -0.490 0.000 0.870 506 T HN 0.089 nan 8.240 nan 0.000 0.445 507 L N 1.452 122.548 121.223 -0.212 0.000 2.127 507 L HA -0.081 4.258 4.340 -0.001 0.000 0.211 507 L C 2.369 179.155 176.870 -0.141 0.000 1.089 507 L CA 1.679 56.409 54.840 -0.184 0.000 0.757 507 L CB -0.701 41.233 42.059 -0.207 0.000 0.899 507 L HN 0.252 nan 8.230 nan 0.000 0.434 508 Q N -0.875 118.855 119.800 -0.118 0.000 2.234 508 Q HA -0.189 4.151 4.340 -0.001 0.000 0.206 508 Q C 1.479 177.436 176.000 -0.072 0.000 0.980 508 Q CA 1.385 57.136 55.803 -0.086 0.000 0.869 508 Q CB 0.019 28.718 28.738 -0.064 0.000 0.912 508 Q HN 0.402 nan 8.270 nan 0.000 0.436 509 R N -0.518 119.938 120.500 -0.072 0.000 2.432 509 R HA 0.267 4.606 4.340 -0.001 0.000 0.260 509 R C -0.282 175.975 176.300 -0.072 0.000 0.935 509 R CA 0.002 56.069 56.100 -0.055 0.000 1.080 509 R CB 0.688 30.971 30.300 -0.028 0.000 1.155 509 R HN 0.050 nan 8.270 nan 0.000 0.531 510 A N 2.522 125.283 122.820 -0.098 0.000 2.498 510 A HA 0.296 4.615 4.320 -0.001 0.000 0.239 510 A C -1.800 175.721 177.584 -0.106 0.000 1.068 510 A CA -0.876 51.092 52.037 -0.115 0.000 0.766 510 A CB -0.263 18.651 19.000 -0.145 0.000 1.003 510 A HN 0.053 nan 8.150 nan 0.000 0.497 511 P HA 0.463 nan 4.420 nan 0.000 0.277 511 P C -0.966 176.262 177.300 -0.120 0.000 1.240 511 P CA -0.354 62.668 63.100 -0.131 0.000 0.798 511 P CB 0.751 32.369 31.700 -0.137 0.000 0.979 512 L N 3.160 124.306 121.223 -0.129 0.000 2.358 512 L HA 0.521 4.861 4.340 -0.001 0.000 0.268 512 L C -2.109 174.653 176.870 -0.179 0.000 1.032 512 L CA -2.170 52.582 54.840 -0.146 0.000 0.805 512 L CB 0.184 42.192 42.059 -0.085 0.000 1.253 512 L HN 0.289 nan 8.230 nan 0.000 0.452 513 P HA -0.006 nan 4.420 nan 0.000 0.266 513 P C 0.544 177.780 177.300 -0.106 0.000 1.195 513 P CA -0.235 62.745 63.100 -0.200 0.000 0.768 513 P CB 0.483 32.010 31.700 -0.287 0.000 0.838 514 L N 3.942 125.102 121.223 -0.106 0.000 2.042 514 L HA -0.100 4.240 4.340 -0.001 0.000 0.210 514 L C 2.230 178.994 176.870 -0.177 0.000 1.076 514 L CA 2.579 57.319 54.840 -0.166 0.000 0.749 514 L CB -1.558 40.415 42.059 -0.145 0.000 0.893 514 L HN 0.547 nan 8.230 nan 0.000 0.432 515 G N -2.140 106.631 108.800 -0.048 0.000 2.442 515 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.219 515 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.219 515 G C 1.300 176.247 174.900 0.079 0.000 1.141 515 G CA 1.118 46.218 45.100 -0.001 0.000 0.763 515 G HN 0.538 nan 8.290 nan 0.000 0.554 516 H N 0.244 119.309 119.070 -0.007 0.000 2.326 516 H HA 0.025 4.581 4.556 -0.001 0.000 0.301 516 H C 2.640 177.973 175.328 0.008 0.000 1.081 516 H CA 0.921 57.049 56.048 0.133 0.000 1.334 516 H CB -0.089 29.785 29.762 0.188 0.000 1.385 516 H HN 0.218 nan 8.280 nan 0.000 0.504 517 I N 0.852 121.419 120.570 -0.004 0.000 2.252 517 I HA -0.192 3.978 4.170 -0.001 0.000 0.245 517 I C 2.001 177.956 176.117 -0.270 0.000 1.102 517 I CA 1.181 62.414 61.300 -0.112 0.000 1.385 517 I CB -0.858 37.029 38.000 -0.189 0.000 1.064 517 I HN 0.225 nan 8.210 nan 0.000 0.414 518 K N 0.300 120.372 120.400 -0.547 0.000 2.063 518 K HA -0.225 4.095 4.320 -0.001 0.000 0.208 518 K C 2.251 178.729 176.600 -0.202 0.000 1.048 518 K CA 1.341 57.255 56.287 -0.622 0.000 0.928 518 K CB -0.139 32.038 32.500 -0.539 0.000 0.713 518 K HN 0.039 nan 8.250 nan 0.000 0.442 519 R N 1.310 121.755 120.500 -0.091 0.000 2.075 519 R HA -0.017 4.323 4.340 -0.001 0.000 0.232 519 R C 2.095 178.360 176.300 -0.057 0.000 1.126 519 R CA 1.401 57.502 56.100 0.001 0.000 0.963 519 R CB -0.380 29.993 30.300 0.121 0.000 0.858 519 R HN 0.146 nan 8.270 nan 0.000 0.435 520 M N 0.001 119.495 119.600 -0.177 0.000 2.108 520 M HA -0.246 4.234 4.480 -0.001 0.000 0.261 520 M C 2.041 178.086 176.300 -0.426 0.000 1.066 520 M CA 2.152 57.132 55.300 -0.533 0.000 1.107 520 M CB -0.119 32.160 32.600 -0.535 0.000 1.356 520 M HN 0.208 nan 8.290 nan 0.000 0.406 521 Q N 0.569 120.326 119.800 -0.073 0.000 2.119 521 Q HA -0.214 4.126 4.340 -0.001 0.000 0.201 521 Q C 1.653 177.624 176.000 -0.049 0.000 0.972 521 Q CA 2.211 58.036 55.803 0.037 0.000 0.847 521 Q CB -0.351 28.723 28.738 0.560 0.000 0.903 521 Q HN 0.652 nan 8.270 nan 0.000 0.433 522 E N -0.849 119.325 120.200 -0.042 0.000 2.085 522 E HA -0.163 4.187 4.350 -0.001 0.000 0.194 522 E C 1.619 178.161 176.600 -0.097 0.000 0.994 522 E CA 1.947 58.325 56.400 -0.037 0.000 0.801 522 E CB 0.101 29.786 29.700 -0.024 0.000 0.743 522 E HN 0.388 nan 8.360 nan 0.000 0.453 523 V N -2.348 117.440 119.914 -0.210 0.000 3.263 523 V HA 0.058 4.177 4.120 -0.001 0.000 0.248 523 V C 1.374 177.365 176.094 -0.172 0.000 1.145 523 V CA 0.369 62.541 62.300 -0.213 0.000 1.107 523 V CB -0.340 31.332 31.823 -0.251 0.000 0.797 523 V HN 0.167 nan 8.190 nan 0.000 0.467 524 Y N 0.698 120.762 120.300 -0.393 0.000 2.442 524 Y HA 0.395 4.945 4.550 -0.001 0.000 0.250 524 Y C 1.327 176.831 175.900 -0.659 0.000 1.113 524 Y CA -0.787 56.906 58.100 -0.679 0.000 1.273 524 Y CB -1.019 36.598 38.460 -1.405 0.000 1.138 524 Y HN 0.484 nan 8.280 nan 0.000 0.522 525 N N 0.436 118.940 118.700 -0.328 0.000 2.705 525 N HA -0.255 4.485 4.740 -0.001 0.000 0.255 525 N C -0.017 175.386 175.510 -0.178 0.000 1.008 525 N CA -0.135 52.807 53.050 -0.179 0.000 0.742 525 N CB -0.869 37.575 38.487 -0.072 0.000 0.906 525 N HN 0.072 nan 8.380 nan 0.000 0.541 526 F N 0.266 119.967 119.950 -0.415 0.000 2.269 526 F HA -0.070 4.457 4.527 -0.001 0.000 0.301 526 F C 2.136 177.708 175.800 -0.381 0.000 1.082 526 F CA 1.020 58.606 58.000 -0.690 0.000 1.360 526 F CB -0.635 37.345 39.000 -1.700 0.000 1.041 526 F HN 0.365 nan 8.300 nan 0.000 0.512 527 N N -0.129 118.641 118.700 0.117 0.000 2.258 527 N HA -0.173 4.567 4.740 -0.001 0.000 0.187 527 N C 1.862 177.449 175.510 0.128 0.000 1.012 527 N CA 0.782 53.992 53.050 0.267 0.000 0.870 527 N CB -0.177 38.458 38.487 0.246 0.000 0.977 527 N HN 0.248 nan 8.380 nan 0.000 0.434 528 A N 0.664 123.527 122.820 0.071 0.000 2.123 528 A HA 0.103 4.423 4.320 -0.001 0.000 0.214 528 A C 0.905 178.512 177.584 0.038 0.000 1.152 528 A CA 0.143 52.206 52.037 0.045 0.000 0.728 528 A CB -0.028 18.987 19.000 0.025 0.000 0.814 528 A HN 0.132 nan 8.150 nan 0.000 0.464 529 I N 1.150 121.747 120.570 0.045 0.000 2.471 529 I HA 0.049 4.219 4.170 -0.001 0.000 0.286 529 I C 0.440 176.567 176.117 0.017 0.000 1.079 529 I CA -0.426 60.889 61.300 0.025 0.000 1.398 529 I CB 0.798 38.805 38.000 0.012 0.000 1.403 529 I HN 0.175 nan 8.210 nan 0.000 0.530 530 N N 3.678 122.381 118.700 0.004 0.000 2.356 530 N HA -0.041 4.698 4.740 -0.001 0.000 0.178 530 N C 0.590 176.094 175.510 -0.010 0.000 1.075 530 N CA 0.198 53.248 53.050 0.000 0.000 0.889 530 N CB -0.040 38.448 38.487 0.002 0.000 0.999 530 N HN 0.558 nan 8.380 nan 0.000 0.464 531 N N 2.074 120.764 118.700 -0.016 0.000 2.315 531 N HA -0.088 4.652 4.740 -0.001 0.000 0.270 531 N C 1.208 176.694 175.510 -0.040 0.000 1.329 531 N CA 0.230 53.269 53.050 -0.019 0.000 0.860 531 N CB 0.727 39.193 38.487 -0.035 0.000 1.095 531 N HN 0.173 nan 8.380 nan 0.000 0.487 532 S N 3.611 119.292 115.700 -0.031 0.000 2.382 532 S HA -0.112 4.358 4.470 -0.001 0.000 0.228 532 S C 1.271 175.693 174.600 -0.298 0.000 1.027 532 S CA 0.668 58.772 58.200 -0.161 0.000 0.991 532 S CB -0.026 63.150 63.200 -0.039 0.000 0.823 532 S HN 0.618 nan 8.310 nan 0.000 0.469 533 E N 1.528 121.703 120.200 -0.041 0.000 2.047 533 E HA -0.012 4.338 4.350 -0.001 0.000 0.191 533 E C 2.189 178.810 176.600 0.036 0.000 0.987 533 E CA 1.177 57.620 56.400 0.072 0.000 0.799 533 E CB -0.456 29.339 29.700 0.159 0.000 0.752 533 E HN 0.607 nan 8.360 nan 0.000 0.449 534 I N 0.755 121.309 120.570 -0.028 0.000 2.179 534 I HA -0.279 3.891 4.170 -0.001 0.000 0.242 534 I C 2.865 178.945 176.117 -0.062 0.000 1.088 534 I CA 1.154 62.404 61.300 -0.085 0.000 1.357 534 I CB -0.278 37.641 38.000 -0.135 0.000 1.051 534 I HN 0.023 nan 8.210 nan 0.000 0.409 535 R N 0.630 121.104 120.500 -0.043 0.000 2.081 535 R HA -0.241 4.099 4.340 -0.001 0.000 0.235 535 R C 2.454 178.754 176.300 -0.000 0.000 1.131 535 R CA 1.814 57.930 56.100 0.027 0.000 0.960 535 R CB -0.447 29.847 30.300 -0.009 0.000 0.856 535 R HN 0.249 nan 8.270 nan 0.000 0.436 536 F N 1.452 121.225 119.950 -0.295 0.000 2.065 536 F HA -0.239 4.287 4.527 -0.001 0.000 0.298 536 F C 2.113 177.820 175.800 -0.155 0.000 1.112 536 F CA 1.900 59.707 58.000 -0.321 0.000 1.212 536 F CB -0.262 38.384 39.000 -0.590 0.000 0.975 536 F HN -0.064 nan 8.300 nan 0.000 0.476 537 R N -0.449 119.854 120.500 -0.329 0.000 2.092 537 R HA -0.212 4.128 4.340 -0.001 0.000 0.231 537 R C 2.404 178.560 176.300 -0.240 0.000 1.119 537 R CA 1.559 57.415 56.100 -0.407 0.000 0.970 537 R CB -1.136 29.038 30.300 -0.210 0.000 0.864 537 R HN 0.662 nan 8.270 nan 0.000 0.440 538 W N 1.725 122.836 121.300 -0.315 0.000 2.355 538 W HA -0.200 4.460 4.660 -0.001 0.000 0.309 538 W C 1.339 177.758 176.519 -0.166 0.000 1.206 538 W CA 1.211 58.420 57.345 -0.228 0.000 1.284 538 W CB -0.178 29.167 29.460 -0.192 0.000 1.145 538 W HN 0.067 nan 8.180 nan 0.000 0.502 539 L N 0.660 121.671 121.223 -0.352 0.000 2.083 539 L HA -0.205 4.135 4.340 -0.001 0.000 0.209 539 L C 2.890 179.507 176.870 -0.421 0.000 1.083 539 L CA 1.317 55.880 54.840 -0.462 0.000 0.752 539 L CB -0.902 40.993 42.059 -0.274 0.000 0.899 539 L HN -0.068 nan 8.230 nan 0.000 0.433 540 R N -0.213 120.031 120.500 -0.427 0.000 2.091 540 R HA -0.205 4.135 4.340 -0.001 0.000 0.238 540 R C 2.242 178.337 176.300 -0.342 0.000 1.136 540 R CA 1.418 57.279 56.100 -0.398 0.000 0.959 540 R CB -0.596 29.386 30.300 -0.529 0.000 0.856 540 R HN 0.201 nan 8.270 nan 0.000 0.437 541 L N 0.689 121.705 121.223 -0.344 0.000 2.046 541 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 541 L C 2.186 178.861 176.870 -0.325 0.000 1.077 541 L CA 1.661 56.329 54.840 -0.286 0.000 0.747 541 L CB -0.550 41.392 42.059 -0.195 0.000 0.896 541 L HN 0.181 nan 8.230 nan 0.000 0.432 542 C N -0.457 118.561 119.300 -0.469 0.000 2.432 542 C HA -0.145 4.314 4.460 -0.001 0.000 0.277 542 C C 2.706 177.535 174.990 -0.268 0.000 1.249 542 C CA 0.630 59.416 59.018 -0.386 0.000 1.725 542 C CB -0.911 26.492 27.740 -0.563 0.000 2.028 542 C HN 0.555 nan 8.230 nan 0.000 0.477 543 I N 0.706 121.100 120.570 -0.293 0.000 2.252 543 I HA -0.177 3.993 4.170 -0.001 0.000 0.245 543 I C 2.534 178.412 176.117 -0.399 0.000 1.102 543 I CA 1.646 62.779 61.300 -0.279 0.000 1.385 543 I CB -1.572 36.337 38.000 -0.153 0.000 1.064 543 I HN 0.525 nan 8.210 nan 0.000 0.414 544 Q N 0.069 119.689 119.800 -0.301 0.000 2.291 544 Q HA -0.077 4.263 4.340 -0.001 0.000 0.205 544 Q C 1.847 177.671 176.000 -0.294 0.000 0.970 544 Q CA 1.180 56.820 55.803 -0.271 0.000 0.876 544 Q CB -0.016 28.598 28.738 -0.207 0.000 0.935 544 Q HN 0.366 nan 8.270 nan 0.000 0.455 545 S N 0.197 115.720 115.700 -0.295 0.000 2.605 545 S HA 0.094 4.563 4.470 -0.001 0.000 0.217 545 S C -0.172 174.251 174.600 -0.295 0.000 0.958 545 S CA -0.061 57.989 58.200 -0.251 0.000 0.919 545 S CB 0.236 63.319 63.200 -0.195 0.000 0.780 545 S HN 0.277 nan 8.310 nan 0.000 0.507 546 K N -0.016 120.063 120.400 -0.536 0.000 3.167 546 K HA -0.163 4.157 4.320 -0.001 0.000 0.272 546 K C -0.931 175.539 176.600 -0.217 0.000 1.137 546 K CA 0.381 56.164 56.287 -0.840 0.000 0.800 546 K CB -1.599 30.611 32.500 -0.483 0.000 1.253 546 K HN 0.463 nan 8.250 nan 0.000 0.497 547 W N 2.831 123.948 121.300 -0.305 0.000 2.416 547 W HA 0.181 4.840 4.660 -0.000 0.000 0.318 547 W C 0.974 177.536 176.519 0.071 0.000 1.150 547 W CA -0.705 56.587 57.345 -0.089 0.000 1.392 547 W CB 0.097 29.470 29.460 -0.144 0.000 1.311 547 W HN 0.136 nan 8.180 nan 0.000 0.436 548 E N 1.991 122.426 120.200 0.392 0.000 2.160 548 E HA -0.248 4.101 4.350 -0.001 0.000 0.195 548 E C 1.186 177.730 176.600 -0.092 0.000 0.991 548 E CA 1.657 58.185 56.400 0.214 0.000 0.810 548 E CB 0.267 30.071 29.700 0.173 0.000 0.742 548 E HN 0.387 nan 8.360 nan 0.000 0.466 549 D N 0.294 120.449 120.400 -0.409 0.000 2.221 549 D HA -0.144 4.495 4.640 -0.001 0.000 0.204 549 D C 1.579 177.518 176.300 -0.601 0.000 0.982 549 D CA 1.189 54.810 54.000 -0.632 0.000 0.857 549 D CB -0.124 40.018 40.800 -1.096 0.000 0.934 549 D HN 0.206 nan 8.370 nan 0.000 0.475 550 A N -0.212 122.252 122.820 -0.594 0.000 2.169 550 A HA 0.073 4.392 4.320 -0.001 0.000 0.212 550 A C 2.124 179.571 177.584 -0.227 0.000 1.153 550 A CA -0.030 51.753 52.037 -0.423 0.000 0.756 550 A CB -0.367 18.386 19.000 -0.411 0.000 0.813 550 A HN 0.147 nan 8.150 nan 0.000 0.471 551 I N 0.958 121.444 120.570 -0.141 0.000 2.091 551 I HA -0.196 3.973 4.170 -0.001 0.000 0.239 551 I C -0.274 175.774 176.117 -0.115 0.000 1.061 551 I CA 1.771 63.023 61.300 -0.081 0.000 1.317 551 I CB -1.020 36.950 38.000 -0.051 0.000 1.031 551 I HN 0.242 nan 8.210 nan 0.000 0.401 552 P HA -0.143 nan 4.420 nan 0.000 0.217 552 P C 1.948 179.181 177.300 -0.113 0.000 1.150 552 P CA 1.579 64.617 63.100 -0.105 0.000 0.832 552 P CB -0.091 31.553 31.700 -0.093 0.000 0.787 553 L N -0.494 120.649 121.223 -0.133 0.000 2.046 553 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 553 L C 2.779 179.571 176.870 -0.129 0.000 1.077 553 L CA 1.780 56.548 54.840 -0.120 0.000 0.747 553 L CB -1.412 40.568 42.059 -0.131 0.000 0.896 553 L HN -0.050 nan 8.230 nan 0.000 0.432 554 A N 0.133 122.860 122.820 -0.155 0.000 1.898 554 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 554 A C 2.290 179.748 177.584 -0.210 0.000 1.181 554 A CA 1.174 53.109 52.037 -0.169 0.000 0.620 554 A CB -0.618 18.282 19.000 -0.167 0.000 0.819 554 A HN 0.318 nan 8.150 nan 0.000 0.442 555 L N -0.527 120.574 121.223 -0.203 0.000 2.017 555 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 555 L C 2.670 179.408 176.870 -0.219 0.000 1.073 555 L CA 2.025 56.716 54.840 -0.247 0.000 0.745 555 L CB -0.364 41.598 42.059 -0.161 0.000 0.894 555 L HN 0.464 nan 8.230 nan 0.000 0.432 556 K N 0.116 120.431 120.400 -0.141 0.000 2.002 556 K HA -0.252 4.067 4.320 -0.001 0.000 0.209 556 K C 2.248 178.791 176.600 -0.095 0.000 1.048 556 K CA 1.826 58.055 56.287 -0.097 0.000 0.930 556 K CB -0.136 32.326 32.500 -0.064 0.000 0.714 556 K HN 0.159 nan 8.250 nan 0.000 0.438 557 M N 0.206 119.746 119.600 -0.100 0.000 2.159 557 M HA -0.135 4.345 4.480 -0.001 0.000 0.263 557 M C 1.950 178.203 176.300 -0.080 0.000 1.063 557 M CA 1.692 56.947 55.300 -0.075 0.000 1.110 557 M CB -0.076 32.480 32.600 -0.074 0.000 1.374 557 M HN 0.274 nan 8.290 nan 0.000 0.411 558 A N -0.370 122.344 122.820 -0.177 0.000 1.972 558 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 558 A C 2.063 179.574 177.584 -0.122 0.000 1.169 558 A CA 2.136 54.028 52.037 -0.242 0.000 0.635 558 A CB -0.956 17.611 19.000 -0.722 0.000 0.810 558 A HN 0.697 nan 8.150 nan 0.000 0.446 559 T N -3.799 110.666 114.554 -0.148 0.000 3.018 559 T HA 0.150 4.499 4.350 -0.001 0.000 0.246 559 T C 1.388 176.080 174.700 -0.013 0.000 1.026 559 T CA 0.709 62.740 62.100 -0.114 0.000 1.081 559 T CB -0.093 68.542 68.868 -0.388 0.000 0.970 559 T HN 0.501 nan 8.240 nan 0.000 0.475 560 E N 1.234 121.430 120.200 -0.006 0.000 2.427 560 E HA 0.064 4.414 4.350 -0.001 0.000 0.196 560 E C 0.539 177.171 176.600 0.053 0.000 1.028 560 E CA 0.339 56.760 56.400 0.034 0.000 0.864 560 E CB 0.119 29.831 29.700 0.020 0.000 0.813 560 E HN 0.747 nan 8.360 nan 0.000 0.514 561 Q N -1.956 117.879 119.800 0.058 0.000 2.605 561 Q HA 0.558 4.898 4.340 -0.001 0.000 0.296 561 Q C 0.187 176.239 176.000 0.087 0.000 1.056 561 Q CA -0.854 54.997 55.803 0.081 0.000 0.778 561 Q CB 1.156 29.955 28.738 0.101 0.000 1.497 561 Q HN -0.059 nan 8.270 nan 0.000 0.443 562 G N -0.328 108.515 108.800 0.072 0.000 4.165 562 G HA2 0.112 4.072 3.960 -0.001 0.000 0.287 562 G HA3 0.112 4.072 3.960 -0.001 0.000 0.287 562 G C -0.550 174.304 174.900 -0.076 0.000 1.019 562 G CA -0.552 44.573 45.100 0.043 0.000 0.806 562 G HN 0.439 nan 8.290 nan 0.000 0.447 563 R N 0.923 121.361 120.500 -0.103 0.000 2.480 563 R HA 0.186 4.526 4.340 -0.001 0.000 0.303 563 R C 1.527 177.621 176.300 -0.343 0.000 0.985 563 R CA -0.159 55.758 56.100 -0.305 0.000 1.051 563 R CB 0.231 30.299 30.300 -0.387 0.000 0.935 563 R HN 0.179 nan 8.270 nan 0.000 0.410 564 M N 3.657 123.000 119.600 -0.428 0.000 2.159 564 M HA -0.227 4.252 4.480 -0.001 0.000 0.263 564 M C 2.062 178.191 176.300 -0.285 0.000 1.063 564 M CA 1.757 56.865 55.300 -0.321 0.000 1.110 564 M CB -0.254 32.109 32.600 -0.394 0.000 1.374 564 M HN 0.632 nan 8.290 nan 0.000 0.411 565 K N 0.292 120.428 120.400 -0.439 0.000 2.173 565 K HA -0.205 4.115 4.320 -0.001 0.000 0.207 565 K C 1.271 177.533 176.600 -0.564 0.000 1.046 565 K CA 1.660 57.640 56.287 -0.512 0.000 0.929 565 K CB 0.070 32.109 32.500 -0.769 0.000 0.720 565 K HN 0.183 nan 8.250 nan 0.000 0.453 566 F N -0.447 119.190 119.950 -0.522 0.000 2.419 566 F HA 0.123 4.650 4.527 -0.001 0.000 0.283 566 F C 2.461 178.190 175.800 -0.118 0.000 1.044 566 F CA 0.482 58.103 58.000 -0.633 0.000 1.376 566 F CB -0.894 37.830 39.000 -0.461 0.000 1.131 566 F HN -0.106 nan 8.300 nan 0.000 0.585 567 T N 0.837 115.459 114.554 0.112 0.000 2.708 567 T HA -0.147 4.202 4.350 -0.001 0.000 0.266 567 T C 2.163 176.999 174.700 0.227 0.000 1.037 567 T CA 1.514 63.710 62.100 0.160 0.000 1.146 567 T CB -0.186 68.774 68.868 0.153 0.000 0.865 567 T HN 0.097 nan 8.240 nan 0.000 0.435 568 R N 0.734 121.310 120.500 0.127 0.000 2.070 568 R HA -0.070 4.269 4.340 -0.001 0.000 0.233 568 R C -0.452 175.936 176.300 0.146 0.000 1.137 568 R CA 1.612 57.781 56.100 0.116 0.000 0.945 568 R CB -1.384 28.929 30.300 0.021 0.000 0.845 568 R HN 0.359 nan 8.270 nan 0.000 0.430 569 P HA -0.094 nan 4.420 nan 0.000 0.219 569 P C 1.105 178.500 177.300 0.158 0.000 1.150 569 P CA 1.098 64.306 63.100 0.180 0.000 0.814 569 P CB 0.014 31.901 31.700 0.313 0.000 0.787 570 L N -2.504 118.839 121.223 0.201 0.000 2.027 570 L HA -0.153 4.186 4.340 -0.001 0.000 0.206 570 L C 2.322 179.179 176.870 -0.023 0.000 1.074 570 L CA 1.434 56.302 54.840 0.047 0.000 0.745 570 L CB -0.966 41.094 42.059 0.001 0.000 0.898 570 L HN -0.103 nan 8.230 nan 0.000 0.433 571 F N 0.464 120.423 119.950 0.015 0.000 2.126 571 F HA -0.247 4.279 4.527 -0.001 0.000 0.299 571 F C 2.643 178.425 175.800 -0.029 0.000 1.096 571 F CA 1.571 59.557 58.000 -0.023 0.000 1.255 571 F CB -0.350 38.617 39.000 -0.056 0.000 0.997 571 F HN -0.066 nan 8.300 nan 0.000 0.479 572 K N 0.024 120.524 120.400 0.167 0.000 2.057 572 K HA -0.178 4.142 4.320 -0.001 0.000 0.207 572 K C 1.733 178.372 176.600 0.065 0.000 1.049 572 K CA 1.712 58.050 56.287 0.085 0.000 0.931 572 K CB -0.184 32.343 32.500 0.045 0.000 0.714 572 K HN 0.095 nan 8.250 nan 0.000 0.440 573 D N 0.771 121.195 120.400 0.040 0.000 2.097 573 D HA -0.157 4.483 4.640 -0.001 0.000 0.195 573 D C 1.860 178.201 176.300 0.069 0.000 0.989 573 D CA 0.974 54.983 54.000 0.015 0.000 0.827 573 D CB -0.153 40.618 40.800 -0.048 0.000 0.966 573 D HN 0.144 nan 8.370 nan 0.000 0.456 574 L N 0.433 121.693 121.223 0.062 0.000 2.083 574 L HA -0.157 4.183 4.340 -0.001 0.000 0.209 574 L C 2.411 179.355 176.870 0.123 0.000 1.083 574 L CA 1.141 56.033 54.840 0.086 0.000 0.752 574 L CB -0.357 41.700 42.059 -0.002 0.000 0.899 574 L HN -0.004 nan 8.230 nan 0.000 0.433 575 A N -0.254 122.640 122.820 0.123 0.000 1.969 575 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 575 A C 2.427 180.175 177.584 0.274 0.000 1.169 575 A CA 1.501 53.636 52.037 0.164 0.000 0.635 575 A CB -0.527 18.545 19.000 0.119 0.000 0.810 575 A HN 0.388 nan 8.150 nan 0.000 0.445 576 A N -1.655 121.273 122.820 0.181 0.000 2.119 576 A HA 0.268 4.587 4.320 -0.001 0.000 0.216 576 A C 0.662 178.369 177.584 0.206 0.000 1.152 576 A CA 0.136 52.262 52.037 0.149 0.000 0.708 576 A CB -0.287 18.760 19.000 0.078 0.000 0.805 576 A HN 0.451 nan 8.150 nan 0.000 0.460 577 F N 2.468 122.441 119.950 0.039 0.000 2.421 577 F HA 0.315 4.841 4.527 -0.001 0.000 0.358 577 F C 0.843 176.675 175.800 0.052 0.000 1.115 577 F CA -1.884 56.129 58.000 0.023 0.000 1.160 577 F CB 0.605 39.604 39.000 -0.001 0.000 1.123 577 F HN 0.323 nan 8.300 nan 0.000 0.508 578 D N 3.824 124.326 120.400 0.170 0.000 2.182 578 D HA -0.228 4.412 4.640 -0.001 0.000 0.201 578 D C 1.325 177.495 176.300 -0.217 0.000 0.986 578 D CA 1.409 55.397 54.000 -0.021 0.000 0.847 578 D CB -0.193 40.612 40.800 0.009 0.000 0.942 578 D HN 0.403 nan 8.370 nan 0.000 0.467 579 K N 0.025 120.043 120.400 -0.637 0.000 2.211 579 K HA 0.016 4.335 4.320 -0.001 0.000 0.203 579 K C 1.883 178.180 176.600 -0.505 0.000 1.050 579 K CA 1.226 57.118 56.287 -0.659 0.000 0.945 579 K CB -0.050 31.894 32.500 -0.927 0.000 0.732 579 K HN 0.440 nan 8.250 nan 0.000 0.451 580 S N -0.824 114.571 115.700 -0.508 0.000 2.559 580 S HA 0.013 4.483 4.470 -0.001 0.000 0.226 580 S C 1.627 176.191 174.600 -0.060 0.000 1.000 580 S CA -0.385 57.686 58.200 -0.216 0.000 0.948 580 S CB -0.193 62.925 63.200 -0.137 0.000 0.870 580 S HN 0.275 nan 8.310 nan 0.000 0.497 581 H N 2.742 121.756 119.070 -0.093 0.000 2.265 581 H HA -0.148 4.408 4.556 -0.001 0.000 0.295 581 H C 0.917 176.250 175.328 0.007 0.000 1.084 581 H CA 2.469 58.508 56.048 -0.015 0.000 1.261 581 H CB -0.416 29.339 29.762 -0.010 0.000 1.360 581 H HN 0.339 nan 8.280 nan 0.000 0.487 582 D N 0.474 120.905 120.400 0.050 0.000 2.117 582 D HA -0.131 4.509 4.640 -0.001 0.000 0.197 582 D C 2.511 178.791 176.300 -0.033 0.000 0.987 582 D CA 0.866 54.872 54.000 0.010 0.000 0.829 582 D CB -0.426 40.414 40.800 0.067 0.000 0.961 582 D HN 0.525 nan 8.370 nan 0.000 0.460 583 Q N 0.282 120.067 119.800 -0.026 0.000 2.061 583 Q HA -0.128 4.211 4.340 -0.001 0.000 0.204 583 Q C 2.235 178.252 176.000 0.029 0.000 0.984 583 Q CA 1.621 57.420 55.803 -0.005 0.000 0.846 583 Q CB -0.166 28.556 28.738 -0.026 0.000 0.902 583 Q HN 0.260 nan 8.270 nan 0.000 0.421 584 A N 0.497 123.323 122.820 0.009 0.000 1.865 584 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 584 A C 2.332 180.012 177.584 0.160 0.000 1.191 584 A CA 2.051 54.161 52.037 0.122 0.000 0.623 584 A CB -1.222 17.822 19.000 0.074 0.000 0.826 584 A HN 0.380 nan 8.150 nan 0.000 0.444 585 V N -1.568 118.323 119.914 -0.039 0.000 2.427 585 V HA -0.206 3.913 4.120 -0.001 0.000 0.248 585 V C 2.368 178.518 176.094 0.095 0.000 1.051 585 V CA 2.362 64.660 62.300 -0.003 0.000 1.048 585 V CB -1.001 30.755 31.823 -0.111 0.000 0.666 585 V HN 0.582 nan 8.190 nan 0.000 0.456 586 R N 0.435 120.975 120.500 0.068 0.000 2.075 586 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 586 R C 2.336 178.712 176.300 0.125 0.000 1.126 586 R CA 2.122 58.266 56.100 0.074 0.000 0.963 586 R CB -0.618 29.712 30.300 0.049 0.000 0.858 586 R HN 0.628 nan 8.270 nan 0.000 0.435 587 T N 0.139 114.809 114.554 0.194 0.000 2.821 587 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 587 T C 1.291 176.206 174.700 0.359 0.000 1.046 587 T CA 1.340 63.612 62.100 0.288 0.000 1.139 587 T CB -0.447 68.577 68.868 0.260 0.000 0.871 587 T HN 0.367 nan 8.240 nan 0.000 0.454 588 Y N 2.094 122.487 120.300 0.156 0.000 2.114 588 Y HA -0.191 4.358 4.550 -0.001 0.000 0.284 588 Y C 2.498 178.396 175.900 -0.002 0.000 1.143 588 Y CA 1.418 59.462 58.100 -0.093 0.000 1.135 588 Y CB -0.628 37.592 38.460 -0.400 0.000 0.980 588 Y HN 0.187 nan 8.280 nan 0.000 0.499 589 Q N -0.015 119.675 119.800 -0.182 0.000 2.135 589 Q HA -0.219 4.120 4.340 -0.001 0.000 0.204 589 Q C 2.107 177.999 176.000 -0.180 0.000 0.981 589 Q CA 2.034 57.682 55.803 -0.258 0.000 0.856 589 Q CB -0.156 28.538 28.738 -0.074 0.000 0.902 589 Q HN 0.648 nan 8.270 nan 0.000 0.425 590 E N -0.884 119.286 120.200 -0.051 0.000 2.208 590 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 590 E C 1.274 177.789 176.600 -0.141 0.000 0.988 590 E CA 0.749 57.112 56.400 -0.062 0.000 0.828 590 E CB 0.140 29.838 29.700 -0.004 0.000 0.763 590 E HN 0.468 nan 8.360 nan 0.000 0.478 591 H N -0.230 118.786 119.070 -0.090 0.000 2.595 591 H HA 0.115 4.671 4.556 -0.001 0.000 0.265 591 H C 1.722 176.982 175.328 -0.112 0.000 0.953 591 H CA 0.447 56.467 56.048 -0.047 0.000 1.197 591 H CB 0.375 30.173 29.762 0.059 0.000 1.438 591 H HN -0.076 nan 8.280 nan 0.000 0.531 592 K N 1.043 121.328 120.400 -0.192 0.000 2.059 592 K HA -0.219 4.100 4.320 -0.001 0.000 0.212 592 K C 2.145 178.669 176.600 -0.126 0.000 1.050 592 K CA 1.497 57.600 56.287 -0.307 0.000 0.927 592 K CB -0.162 31.964 32.500 -0.624 0.000 0.714 592 K HN 0.287 nan 8.250 nan 0.000 0.447 593 A N 0.442 123.196 122.820 -0.109 0.000 1.972 593 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 593 A C 1.852 179.423 177.584 -0.021 0.000 1.169 593 A CA 1.886 53.885 52.037 -0.063 0.000 0.635 593 A CB -0.349 18.611 19.000 -0.066 0.000 0.810 593 A HN 0.522 nan 8.150 nan 0.000 0.446 594 S N -1.555 114.143 115.700 -0.003 0.000 2.572 594 S HA 0.477 4.947 4.470 -0.001 0.000 0.228 594 S C 0.475 175.126 174.600 0.084 0.000 0.963 594 S CA -0.422 57.801 58.200 0.039 0.000 0.939 594 S CB -0.325 62.895 63.200 0.033 0.000 0.804 594 S HN 0.430 nan 8.310 nan 0.000 0.480 595 M N 1.984 121.631 119.600 0.078 0.000 2.283 595 M HA 0.284 4.764 4.480 -0.001 0.000 0.314 595 M C 0.664 177.027 176.300 0.106 0.000 1.153 595 M CA -0.596 54.777 55.300 0.122 0.000 1.084 595 M CB 0.457 33.133 32.600 0.127 0.000 1.468 595 M HN 0.286 nan 8.290 nan 0.000 0.474 596 H N 3.369 122.476 119.070 0.062 0.000 2.928 596 H HA 0.035 4.591 4.556 -0.001 0.000 0.338 596 H C -1.832 173.494 175.328 -0.003 0.000 1.047 596 H CA -0.672 55.390 56.048 0.025 0.000 1.435 596 H CB 0.907 30.701 29.762 0.053 0.000 1.428 596 H HN 0.361 nan 8.280 nan 0.000 0.590 597 P HA -0.180 nan 4.420 nan 0.000 0.216 597 P C 1.683 178.988 177.300 0.007 0.000 1.153 597 P CA 0.902 63.914 63.100 -0.147 0.000 0.858 597 P CB 0.297 31.857 31.700 -0.233 0.000 0.789 598 V N 0.280 120.275 119.914 0.136 0.000 2.307 598 V HA -0.190 3.929 4.120 -0.001 0.000 0.245 598 V C 2.638 178.777 176.094 0.075 0.000 1.045 598 V CA 2.622 64.989 62.300 0.112 0.000 1.024 598 V CB -1.985 29.880 31.823 0.070 0.000 0.651 598 V HN 0.167 nan 8.190 nan 0.000 0.449 599 T N 0.733 115.354 114.554 0.111 0.000 2.684 599 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 599 T C 2.094 176.830 174.700 0.060 0.000 1.036 599 T CA 1.742 63.857 62.100 0.026 0.000 1.148 599 T CB -0.541 68.343 68.868 0.027 0.000 0.863 599 T HN 0.564 nan 8.240 nan 0.000 0.436 600 A N 2.200 125.089 122.820 0.115 0.000 1.883 600 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 600 A C 2.323 179.996 177.584 0.149 0.000 1.186 600 A CA 1.909 54.052 52.037 0.178 0.000 0.624 600 A CB -0.774 18.294 19.000 0.114 0.000 0.822 600 A HN 0.400 nan 8.150 nan 0.000 0.444 601 M N -0.335 119.313 119.600 0.080 0.000 2.080 601 M HA -0.108 4.372 4.480 -0.001 0.000 0.260 601 M C 1.999 178.299 176.300 0.001 0.000 1.068 601 M CA 1.820 57.151 55.300 0.053 0.000 1.109 601 M CB -0.803 31.826 32.600 0.047 0.000 1.342 601 M HN 0.433 nan 8.290 nan 0.000 0.405 602 L N -0.859 120.351 121.223 -0.022 0.000 2.072 602 L HA -0.143 4.196 4.340 -0.001 0.000 0.205 602 L C 2.421 179.216 176.870 -0.124 0.000 1.079 602 L CA 0.503 55.312 54.840 -0.052 0.000 0.752 602 L CB -0.710 41.324 42.059 -0.041 0.000 0.906 602 L HN 0.065 nan 8.230 nan 0.000 0.436 603 V N 0.378 120.177 119.914 -0.192 0.000 2.332 603 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 603 V C 2.655 178.347 176.094 -0.669 0.000 1.055 603 V CA 2.043 64.092 62.300 -0.418 0.000 1.038 603 V CB -1.381 30.118 31.823 -0.540 0.000 0.651 603 V HN 0.577 nan 8.190 nan 0.000 0.450 604 G N -0.249 108.177 108.800 -0.624 0.000 2.476 604 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.218 604 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.218 604 G C 1.675 176.441 174.900 -0.222 0.000 1.164 604 G CA 1.113 45.949 45.100 -0.440 0.000 0.768 604 G HN 0.474 nan 8.290 nan 0.000 0.560 605 K N 0.126 120.448 120.400 -0.130 0.000 2.057 605 K HA -0.078 4.241 4.320 -0.001 0.000 0.207 605 K C 2.243 178.795 176.600 -0.079 0.000 1.049 605 K CA 1.299 57.546 56.287 -0.066 0.000 0.931 605 K CB -0.163 32.323 32.500 -0.024 0.000 0.714 605 K HN 0.137 nan 8.250 nan 0.000 0.440 606 D N 0.764 121.095 120.400 -0.116 0.000 2.116 606 D HA -0.154 4.486 4.640 -0.001 0.000 0.193 606 D C 1.513 177.757 176.300 -0.094 0.000 0.998 606 D CA 1.111 55.055 54.000 -0.093 0.000 0.836 606 D CB -0.045 40.691 40.800 -0.105 0.000 0.951 606 D HN 0.012 nan 8.370 nan 0.000 0.449 607 L N 0.174 121.291 121.223 -0.175 0.000 2.599 607 L HA 0.085 4.425 4.340 -0.001 0.000 0.230 607 L C 0.462 177.295 176.870 -0.061 0.000 1.141 607 L CA 0.421 55.176 54.840 -0.142 0.000 0.877 607 L CB -0.592 41.292 42.059 -0.291 0.000 1.009 607 L HN 0.000 nan 8.230 nan 0.000 0.447 608 K N -0.654 119.714 120.400 -0.052 0.000 3.148 608 K HA -0.156 4.163 4.320 -0.001 0.000 0.267 608 K C -0.277 176.326 176.600 0.006 0.000 0.996 608 K CA 0.737 57.019 56.287 -0.009 0.000 0.737 608 K CB -1.866 30.646 32.500 0.020 0.000 1.308 608 K HN 0.280 nan 8.250 nan 0.000 0.470 609 V N -3.137 116.769 119.914 -0.012 0.000 2.960 609 V HA 0.647 4.766 4.120 -0.001 0.000 0.315 609 V C 0.376 176.514 176.094 0.073 0.000 1.087 609 V CA -0.812 61.515 62.300 0.044 0.000 0.982 609 V CB 1.941 33.817 31.823 0.088 0.000 1.039 609 V HN 0.424 nan 8.190 nan 0.000 0.437 610 D N 0.000 120.450 120.400 0.083 0.000 6.856 610 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 610 D CA 0.000 54.041 54.000 0.068 0.000 0.868 610 D CB 0.000 40.851 40.800 0.084 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683