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 1wf4_1_j DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.556 177.584 -0.047 0.000 1.274 3 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 3 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 4 K N 0.410 120.784 120.400 -0.043 0.000 2.627 4 K HA 0.718 5.038 4.320 0.000 0.000 0.269 4 K C -0.208 176.361 176.600 -0.052 0.000 1.029 4 K CA -0.505 55.746 56.287 -0.060 0.000 1.026 4 K CB 1.148 33.618 32.500 -0.050 0.000 1.350 4 K HN 0.962 nan 8.250 nan 0.000 0.506 5 I N 0.781 121.316 120.570 -0.059 0.000 2.637 5 I HA 0.179 4.349 4.170 0.000 0.000 0.285 5 I C -1.551 174.532 176.117 -0.057 0.000 1.222 5 I CA -0.484 60.792 61.300 -0.041 0.000 1.067 5 I CB 0.723 38.698 38.000 -0.042 0.000 1.279 5 I HN 0.350 nan 8.210 nan 0.000 0.441 6 L N 7.169 128.369 121.223 -0.038 0.000 2.418 6 L HA 0.670 5.010 4.340 0.000 0.000 0.265 6 L C -0.653 176.152 176.870 -0.108 0.000 1.143 6 L CA -0.678 54.086 54.840 -0.127 0.000 0.809 6 L CB 1.627 43.660 42.059 -0.043 0.000 1.124 6 L HN 0.356 nan 8.230 nan 0.000 0.456 7 V N 2.074 121.792 119.914 -0.326 0.000 2.817 7 V HA 0.424 4.544 4.120 0.000 0.000 0.303 7 V C -0.839 175.065 176.094 -0.317 0.000 1.151 7 V CA -0.543 61.679 62.300 -0.130 0.000 0.929 7 V CB 1.837 33.621 31.823 -0.066 0.000 1.030 7 V HN 0.428 nan 8.190 nan 0.000 0.427 8 F N 0.546 120.498 119.950 0.003 0.000 2.671 8 F HA 0.629 5.156 4.527 0.000 0.000 0.373 8 F C 1.146 176.948 175.800 0.003 0.000 1.122 8 F CA -0.665 57.337 58.000 0.002 0.000 1.082 8 F CB 0.320 39.320 39.000 0.001 0.000 1.399 8 F HN 0.593 nan 8.300 nan 0.000 0.509 9 D N 0.184 120.723 120.400 0.232 0.000 3.470 9 D HA -0.333 4.307 4.640 0.000 0.000 0.175 9 D C 1.393 177.739 176.300 0.076 0.000 1.216 9 D CA 1.609 55.682 54.000 0.121 0.000 0.889 9 D CB -0.573 40.287 40.800 0.100 0.000 0.506 9 D HN 0.775 nan 8.370 nan 0.000 0.500 10 E N 0.717 120.952 120.200 0.058 0.000 2.130 10 E HA -0.217 4.133 4.350 0.000 0.000 0.196 10 E C 2.110 178.734 176.600 0.040 0.000 0.998 10 E CA 1.450 57.874 56.400 0.040 0.000 0.806 10 E CB -0.231 29.489 29.700 0.032 0.000 0.738 10 E HN 0.435 nan 8.360 nan 0.000 0.459 11 A N 1.215 124.067 122.820 0.055 0.000 1.884 11 A HA -0.264 4.056 4.320 0.000 0.000 0.219 11 A C 2.360 179.965 177.584 0.035 0.000 1.197 11 A CA 2.337 54.404 52.037 0.050 0.000 0.637 11 A CB -0.929 18.116 19.000 0.075 0.000 0.827 11 A HN 0.413 nan 8.150 nan 0.000 0.450 12 A N -0.502 122.338 122.820 0.033 0.000 1.835 12 A HA -0.157 4.163 4.320 0.000 0.000 0.215 12 A C 2.194 179.781 177.584 0.005 0.000 1.199 12 A CA 1.620 53.659 52.037 0.003 0.000 0.615 12 A CB -0.619 18.367 19.000 -0.022 0.000 0.838 12 A HN 0.537 nan 8.150 nan 0.000 0.444 13 R N -0.975 119.533 120.500 0.012 0.000 2.133 13 R HA -0.156 4.184 4.340 0.000 0.000 0.247 13 R C 2.323 178.629 176.300 0.010 0.000 1.151 13 R CA 1.551 57.657 56.100 0.010 0.000 0.971 13 R CB -0.305 30.004 30.300 0.015 0.000 0.866 13 R HN 0.336 nan 8.270 nan 0.000 0.447 14 R N 0.072 120.580 120.500 0.014 0.000 2.090 14 R HA 0.027 4.367 4.340 0.000 0.000 0.228 14 R C 2.169 178.475 176.300 0.010 0.000 1.110 14 R CA 1.310 57.417 56.100 0.012 0.000 0.973 14 R CB -0.689 29.620 30.300 0.015 0.000 0.869 14 R HN 0.255 nan 8.270 nan 0.000 0.440 15 A N 1.480 124.306 122.820 0.010 0.000 1.858 15 A HA -0.111 4.209 4.320 0.000 0.000 0.216 15 A C 2.396 179.983 177.584 0.006 0.000 1.190 15 A CA 1.114 53.156 52.037 0.009 0.000 0.617 15 A CB -0.700 18.305 19.000 0.009 0.000 0.827 15 A HN 0.170 nan 8.150 nan 0.000 0.443 16 L N -0.677 120.548 121.223 0.003 0.000 1.990 16 L HA -0.279 4.061 4.340 0.000 0.000 0.213 16 L C 2.741 179.612 176.870 0.003 0.000 1.072 16 L CA 2.143 56.984 54.840 0.002 0.000 0.755 16 L CB -0.693 41.366 42.059 -0.001 0.000 0.889 16 L HN 0.666 nan 8.230 nan 0.000 0.432 17 E N 0.428 120.631 120.200 0.004 0.000 2.130 17 E HA -0.278 4.072 4.350 0.000 0.000 0.196 17 E C 2.320 178.922 176.600 0.003 0.000 0.998 17 E CA 1.359 57.761 56.400 0.004 0.000 0.806 17 E CB 0.031 29.734 29.700 0.006 0.000 0.738 17 E HN 0.359 nan 8.360 nan 0.000 0.459 18 R N -0.376 120.127 120.500 0.004 0.000 2.091 18 R HA -0.123 4.217 4.340 0.000 0.000 0.238 18 R C 2.522 178.822 176.300 0.000 0.000 1.136 18 R CA 1.310 57.412 56.100 0.003 0.000 0.959 18 R CB -0.541 29.761 30.300 0.003 0.000 0.856 18 R HN 0.316 nan 8.270 nan 0.000 0.437 19 G N 0.302 109.102 108.800 0.000 0.000 2.433 19 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 19 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 19 G C 1.466 176.364 174.900 -0.002 0.000 1.186 19 G CA 0.842 45.941 45.100 -0.002 0.000 0.779 19 G HN 0.140 nan 8.290 nan 0.000 0.543 20 V N 1.756 121.670 119.914 -0.000 0.000 2.313 20 V HA -0.288 3.832 4.120 0.000 0.000 0.253 20 V C 2.677 178.771 176.094 0.000 0.000 1.070 20 V CA 2.130 64.430 62.300 0.000 0.000 1.057 20 V CB -0.463 31.361 31.823 0.001 0.000 0.653 20 V HN 0.379 nan 8.190 nan 0.000 0.450 21 N N -0.083 118.618 118.700 0.000 0.000 2.216 21 N HA -0.068 4.672 4.740 0.000 0.000 0.183 21 N C 1.942 177.452 175.510 -0.001 0.000 1.017 21 N CA 1.465 54.515 53.050 0.000 0.000 0.861 21 N CB -0.349 38.139 38.487 0.001 0.000 0.986 21 N HN 0.509 nan 8.380 nan 0.000 0.428 22 A N 1.194 124.013 122.820 -0.003 0.000 1.873 22 A HA -0.135 4.186 4.320 0.000 0.000 0.218 22 A C 2.526 180.108 177.584 -0.005 0.000 1.193 22 A CA 1.641 53.675 52.037 -0.005 0.000 0.629 22 A CB -0.915 18.081 19.000 -0.007 0.000 0.826 22 A HN 0.085 nan 8.150 nan 0.000 0.447 23 V N -0.268 119.643 119.914 -0.004 0.000 2.216 23 V HA -0.225 3.895 4.120 0.000 0.000 0.242 23 V C 3.071 179.163 176.094 -0.002 0.000 1.042 23 V CA 2.102 64.400 62.300 -0.004 0.000 0.991 23 V CB -1.563 30.258 31.823 -0.003 0.000 0.633 23 V HN 0.660 nan 8.190 nan 0.000 0.449 24 A N 0.689 123.509 122.820 -0.001 0.000 1.929 24 A HA -0.350 3.970 4.320 0.000 0.000 0.221 24 A C 1.994 179.578 177.584 0.001 0.000 1.211 24 A CA 2.632 54.669 52.037 0.001 0.000 0.657 24 A CB -0.954 18.047 19.000 0.001 0.000 0.827 24 A HN 0.669 nan 8.150 nan 0.000 0.462 25 N N -0.230 118.471 118.700 0.000 0.000 2.309 25 N HA -0.025 4.715 4.740 0.000 0.000 0.182 25 N C 1.781 177.291 175.510 0.000 0.000 1.018 25 N CA 1.369 54.419 53.050 0.001 0.000 0.876 25 N CB -0.443 38.044 38.487 0.001 0.000 0.972 25 N HN 0.553 nan 8.380 nan 0.000 0.434 26 A N 0.418 123.237 122.820 -0.001 0.000 1.935 26 A HA 0.043 4.363 4.320 0.000 0.000 0.214 26 A C 2.459 180.042 177.584 -0.002 0.000 1.178 26 A CA 0.671 52.707 52.037 -0.003 0.000 0.640 26 A CB -0.381 18.616 19.000 -0.005 0.000 0.825 26 A HN 0.065 nan 8.150 nan 0.000 0.447 27 V N 1.503 121.417 119.914 -0.001 0.000 2.283 27 V HA -0.247 3.873 4.120 0.000 0.000 0.243 27 V C 2.512 178.606 176.094 0.001 0.000 1.039 27 V CA 2.194 64.493 62.300 -0.000 0.000 1.016 27 V CB -0.734 31.089 31.823 -0.000 0.000 0.650 27 V HN 0.825 nan 8.190 nan 0.000 0.449 28 K N 1.681 122.083 120.400 0.002 0.000 2.281 28 K HA -0.134 4.187 4.320 0.000 0.000 0.203 28 K C 1.711 178.315 176.600 0.006 0.000 1.046 28 K CA 1.782 58.072 56.287 0.004 0.000 0.938 28 K CB -0.848 31.655 32.500 0.005 0.000 0.737 28 K HN 0.517 nan 8.250 nan 0.000 0.458 29 V N -0.149 119.768 119.914 0.005 0.000 3.383 29 V HA -0.066 4.054 4.120 0.000 0.000 0.272 29 V C 1.723 177.821 176.094 0.007 0.000 1.181 29 V CA 1.478 63.782 62.300 0.008 0.000 1.171 29 V CB -1.010 30.817 31.823 0.006 0.000 0.800 29 V HN 0.579 nan 8.190 nan 0.000 0.515 30 T N -3.051 111.505 114.554 0.004 0.000 2.985 30 T HA 0.320 4.670 4.350 0.000 0.000 0.254 30 T C 0.504 175.205 174.700 0.000 0.000 1.021 30 T CA -0.124 61.977 62.100 0.002 0.000 0.957 30 T CB -0.031 68.836 68.868 -0.001 0.000 1.047 30 T HN 0.358 nan 8.240 nan 0.000 0.511 31 L N 2.935 124.159 121.223 0.001 0.000 2.525 31 L HA 0.458 4.798 4.340 0.000 0.000 0.278 31 L C 0.899 177.765 176.870 -0.006 0.000 1.218 31 L CA 2.064 56.903 54.840 -0.002 0.000 0.878 31 L CB -0.574 41.485 42.059 -0.000 0.000 1.127 31 L HN 0.787 nan 8.230 nan 0.000 0.492 32 G N 3.595 112.386 108.800 -0.014 0.000 2.756 32 G HA2 -0.174 3.786 3.960 0.000 0.000 0.678 32 G HA3 -0.174 3.786 3.960 0.000 0.000 0.678 32 G C -1.830 173.051 174.900 -0.033 0.000 1.349 32 G CA -0.435 44.648 45.100 -0.028 0.000 0.847 32 G HN 0.544 nan 8.290 nan 0.000 0.548 33 P HA -0.017 nan 4.420 nan 0.000 0.221 33 P C 1.141 178.417 177.300 -0.040 0.000 1.145 33 P CA 1.132 64.197 63.100 -0.058 0.000 0.795 33 P CB 0.104 31.744 31.700 -0.100 0.000 0.775 34 R N -0.886 119.598 120.500 -0.027 0.000 2.727 34 R HA 0.309 4.650 4.340 0.000 0.000 0.410 34 R C 0.646 176.950 176.300 0.008 0.000 1.101 34 R CA -0.342 55.756 56.100 -0.004 0.000 1.045 34 R CB -0.083 30.226 30.300 0.014 0.000 1.380 34 R HN 0.045 nan 8.270 nan 0.000 0.587 35 G N 1.382 110.183 108.800 0.001 0.000 2.568 35 G HA2 -0.039 3.921 3.960 0.000 0.000 0.231 35 G HA3 -0.039 3.921 3.960 0.000 0.000 0.231 35 G C 0.291 175.196 174.900 0.008 0.000 1.261 35 G CA -0.257 44.846 45.100 0.005 0.000 0.855 35 G HN 0.092 nan 8.290 nan 0.000 0.576 36 R N 0.400 120.906 120.500 0.010 0.000 2.541 36 R HA 0.162 4.502 4.340 0.000 0.000 0.263 36 R C 0.253 176.554 176.300 0.003 0.000 1.112 36 R CA -0.606 55.499 56.100 0.009 0.000 1.170 36 R CB 0.351 30.659 30.300 0.012 0.000 1.167 36 R HN 0.676 nan 8.270 nan 0.000 0.582 37 N N -0.532 118.169 118.700 0.001 0.000 2.488 37 N HA 0.207 4.947 4.740 0.000 0.000 0.274 37 N C -0.922 174.586 175.510 -0.004 0.000 1.111 37 N CA -0.324 52.724 53.050 -0.003 0.000 0.974 37 N CB 1.218 39.702 38.487 -0.004 0.000 1.089 37 N HN 0.062 nan 8.380 nan 0.000 0.465 38 V N 2.807 122.717 119.914 -0.006 0.000 2.448 38 V HA 0.280 4.400 4.120 0.000 0.000 0.295 38 V C -0.091 175.997 176.094 -0.009 0.000 1.025 38 V CA -0.797 61.499 62.300 -0.007 0.000 0.859 38 V CB 1.820 33.638 31.823 -0.007 0.000 0.988 38 V HN 0.326 nan 8.190 nan 0.000 0.431 39 V N 6.587 126.496 119.914 -0.009 0.000 2.407 39 V HA 0.473 4.593 4.120 0.000 0.000 0.278 39 V C -0.424 175.664 176.094 -0.011 0.000 1.037 39 V CA -0.375 61.919 62.300 -0.010 0.000 0.900 39 V CB 1.362 33.179 31.823 -0.009 0.000 0.983 39 V HN 0.580 nan 8.190 nan 0.000 0.459 40 L N 5.086 126.302 121.223 -0.011 0.000 2.362 40 L HA 0.528 4.868 4.340 0.000 0.000 0.275 40 L C -0.023 176.841 176.870 -0.010 0.000 0.998 40 L CA -0.325 54.508 54.840 -0.011 0.000 0.820 40 L CB 1.909 43.961 42.059 -0.011 0.000 1.270 40 L HN 0.818 nan 8.230 nan 0.000 0.415 41 E N 3.070 123.264 120.200 -0.011 0.000 2.191 41 E HA 0.509 4.859 4.350 0.000 0.000 0.278 41 E C -1.074 175.523 176.600 -0.004 0.000 0.972 41 E CA -0.988 55.406 56.400 -0.010 0.000 0.804 41 E CB 1.425 31.114 29.700 -0.019 0.000 1.110 41 E HN 0.177 nan 8.360 nan 0.000 0.394 42 K N 3.261 123.665 120.400 0.008 0.000 2.156 42 K HA 0.193 4.513 4.320 0.000 0.000 0.271 42 K C 0.519 177.134 176.600 0.024 0.000 0.995 42 K CA -0.596 55.712 56.287 0.036 0.000 0.890 42 K CB 1.442 33.977 32.500 0.060 0.000 1.073 42 K HN 0.567 nan 8.250 nan 0.000 0.454 43 K N 1.132 121.547 120.400 0.025 0.000 2.059 43 K HA -0.174 4.146 4.320 0.000 0.000 0.212 43 K C 1.388 177.809 176.600 -0.298 0.000 1.050 43 K CA 1.922 58.118 56.287 -0.153 0.000 0.927 43 K CB -0.128 32.250 32.500 -0.203 0.000 0.714 43 K HN 0.353 nan 8.250 nan 0.000 0.447 44 F N 0.045 119.986 119.950 -0.015 0.000 2.387 44 F HA 0.180 4.707 4.527 0.000 0.000 0.278 44 F C 1.810 177.602 175.800 -0.013 0.000 1.010 44 F CA -0.003 57.989 58.000 -0.013 0.000 1.236 44 F CB -1.114 37.878 39.000 -0.012 0.000 1.137 44 F HN -0.056 nan 8.300 nan 0.000 0.604 45 G N 0.510 109.434 108.800 0.207 0.000 2.699 45 G HA2 0.309 4.269 3.960 0.000 0.000 0.246 45 G HA3 0.309 4.269 3.960 0.000 0.000 0.246 45 G C 0.212 175.144 174.900 0.054 0.000 1.219 45 G CA 0.014 45.173 45.100 0.098 0.000 0.866 45 G HN 0.371 nan 8.290 nan 0.000 0.572 46 S N 0.901 116.619 115.700 0.031 0.000 2.626 46 S HA 0.440 4.910 4.470 0.000 0.000 0.257 46 S C -1.875 172.729 174.600 0.008 0.000 1.288 46 S CA -0.834 57.374 58.200 0.013 0.000 0.980 46 S CB 1.003 64.208 63.200 0.008 0.000 0.975 46 S HN 0.628 nan 8.310 nan 0.000 0.577 47 P HA 0.251 nan 4.420 nan 0.000 0.271 47 P C -0.614 176.683 177.300 -0.005 0.000 1.233 47 P CA -0.136 62.961 63.100 -0.004 0.000 0.789 47 P CB 0.243 31.938 31.700 -0.008 0.000 0.951 48 T N 0.967 115.517 114.554 -0.007 0.000 2.924 48 T HA 0.679 5.029 4.350 0.000 0.000 0.291 48 T C 0.069 174.761 174.700 -0.013 0.000 1.045 48 T CA -0.518 61.575 62.100 -0.011 0.000 1.015 48 T CB 0.939 69.799 68.868 -0.013 0.000 1.103 48 T HN 0.456 nan 8.240 nan 0.000 0.496 49 I N -0.771 119.789 120.570 -0.016 0.000 2.545 49 I HA 0.847 5.017 4.170 0.000 0.000 0.292 49 I C -0.656 175.449 176.117 -0.020 0.000 1.040 49 I CA -0.545 60.746 61.300 -0.016 0.000 1.068 49 I CB 2.398 40.390 38.000 -0.014 0.000 1.251 49 I HN 0.508 nan 8.210 nan 0.000 0.424 50 T N 3.562 118.104 114.554 -0.019 0.000 2.693 50 T HA 0.565 4.915 4.350 0.000 0.000 0.278 50 T C 0.049 174.739 174.700 -0.018 0.000 0.994 50 T CA -0.774 61.312 62.100 -0.023 0.000 1.033 50 T CB 1.984 70.838 68.868 -0.024 0.000 1.342 50 T HN 0.740 nan 8.240 nan 0.000 0.538 51 K N -0.180 120.209 120.400 -0.019 0.000 2.617 51 K HA 0.138 4.458 4.320 0.000 0.000 0.184 51 K C -1.038 175.555 176.600 -0.011 0.000 1.295 51 K CA -0.171 56.109 56.287 -0.012 0.000 1.112 51 K CB 0.817 33.310 32.500 -0.012 0.000 1.069 51 K HN 0.496 nan 8.250 nan 0.000 0.570 52 D N 0.205 120.596 120.400 -0.015 0.000 2.329 52 D HA 0.154 4.794 4.640 0.000 0.000 0.232 52 D C 0.920 177.216 176.300 -0.006 0.000 1.088 52 D CA -0.052 53.942 54.000 -0.010 0.000 0.835 52 D CB 1.751 42.537 40.800 -0.023 0.000 1.078 52 D HN 0.218 nan 8.370 nan 0.000 0.495 53 G N 2.898 111.698 108.800 0.001 0.000 2.459 53 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 53 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 53 G C 1.589 176.490 174.900 0.001 0.000 1.183 53 G CA 1.143 46.244 45.100 0.001 0.000 0.776 53 G HN 0.494 nan 8.290 nan 0.000 0.552 54 V N 0.945 120.863 119.914 0.006 0.000 2.332 54 V HA -0.210 3.910 4.120 0.000 0.000 0.248 54 V C 3.057 179.151 176.094 0.000 0.000 1.055 54 V CA 2.381 64.685 62.300 0.007 0.000 1.038 54 V CB -1.383 30.451 31.823 0.019 0.000 0.651 54 V HN 0.381 nan 8.190 nan 0.000 0.450 55 T N 0.475 115.024 114.554 -0.007 0.000 2.684 55 T HA -0.169 4.181 4.350 0.000 0.000 0.267 55 T C 1.977 176.669 174.700 -0.012 0.000 1.036 55 T CA 1.833 63.923 62.100 -0.016 0.000 1.148 55 T CB -0.325 68.526 68.868 -0.028 0.000 0.863 55 T HN 0.325 nan 8.240 nan 0.000 0.436 56 V N 1.763 121.670 119.914 -0.011 0.000 2.307 56 V HA -0.139 3.981 4.120 0.000 0.000 0.245 56 V C 2.932 179.022 176.094 -0.007 0.000 1.045 56 V CA 1.569 63.863 62.300 -0.009 0.000 1.024 56 V CB -1.335 30.484 31.823 -0.008 0.000 0.651 56 V HN 0.529 nan 8.190 nan 0.000 0.449 57 A N -0.106 122.711 122.820 -0.005 0.000 1.917 57 A HA -0.305 4.015 4.320 0.000 0.000 0.219 57 A C 2.295 179.876 177.584 -0.005 0.000 1.182 57 A CA 2.308 54.343 52.037 -0.004 0.000 0.633 57 A CB -0.535 18.465 19.000 -0.001 0.000 0.819 57 A HN 0.554 nan 8.150 nan 0.000 0.448 58 K N -0.601 119.796 120.400 -0.005 0.000 2.063 58 K HA -0.143 4.177 4.320 0.000 0.000 0.208 58 K C 1.540 178.135 176.600 -0.009 0.000 1.048 58 K CA 1.388 57.671 56.287 -0.006 0.000 0.928 58 K CB -0.122 32.374 32.500 -0.006 0.000 0.713 58 K HN 0.388 nan 8.250 nan 0.000 0.442 59 E N 0.569 120.763 120.200 -0.010 0.000 2.511 59 E HA -0.022 4.328 4.350 0.000 0.000 0.196 59 E C -0.137 176.456 176.600 -0.013 0.000 1.066 59 E CA 0.269 56.662 56.400 -0.011 0.000 0.871 59 E CB 0.155 29.848 29.700 -0.011 0.000 0.863 59 E HN -0.017 nan 8.360 nan 0.000 0.520 60 V N 2.061 121.968 119.914 -0.012 0.000 2.389 60 V HA 0.151 4.272 4.120 0.000 0.000 0.264 60 V C 0.104 176.187 176.094 -0.017 0.000 1.049 60 V CA -0.092 62.199 62.300 -0.014 0.000 0.932 60 V CB 0.669 32.486 31.823 -0.011 0.000 1.011 60 V HN 0.027 nan 8.190 nan 0.000 0.475 61 E N 5.123 125.309 120.200 -0.023 0.000 2.274 61 E HA 0.498 4.848 4.350 0.000 0.000 0.269 61 E C -1.346 175.230 176.600 -0.040 0.000 0.891 61 E CA -0.671 55.711 56.400 -0.031 0.000 0.784 61 E CB 1.466 31.146 29.700 -0.032 0.000 1.225 61 E HN 0.596 nan 8.360 nan 0.000 0.412 62 L N 3.729 124.924 121.223 -0.046 0.000 2.375 62 L HA 0.340 4.680 4.340 0.000 0.000 0.271 62 L C 1.441 178.263 176.870 -0.080 0.000 1.107 62 L CA -0.498 54.312 54.840 -0.051 0.000 0.806 62 L CB 0.984 43.020 42.059 -0.039 0.000 1.146 62 L HN 0.708 nan 8.230 nan 0.000 0.447 63 E N 0.323 120.480 120.200 -0.071 0.000 2.051 63 E HA -0.161 4.189 4.350 0.000 0.000 0.192 63 E C 0.371 176.899 176.600 -0.120 0.000 0.991 63 E CA 0.858 57.204 56.400 -0.090 0.000 0.799 63 E CB 0.095 29.763 29.700 -0.054 0.000 0.748 63 E HN 0.606 nan 8.360 nan 0.000 0.449 64 D N 0.103 120.461 120.400 -0.070 0.000 2.401 64 D HA -0.072 4.568 4.640 0.000 0.000 0.254 64 D C 0.893 177.165 176.300 -0.047 0.000 1.192 64 D CA 0.185 54.162 54.000 -0.037 0.000 0.885 64 D CB 0.636 41.435 40.800 -0.002 0.000 1.147 64 D HN 0.179 nan 8.370 nan 0.000 0.478 65 H N 3.857 122.923 119.070 -0.006 0.000 2.265 65 H HA -0.167 4.389 4.556 0.000 0.000 0.295 65 H C 1.980 177.301 175.328 -0.011 0.000 1.084 65 H CA 1.316 57.359 56.048 -0.008 0.000 1.261 65 H CB 0.199 29.955 29.762 -0.009 0.000 1.360 65 H HN 0.503 nan 8.280 nan 0.000 0.487 66 L N 0.647 121.942 121.223 0.121 0.000 1.989 66 L HA -0.196 4.144 4.340 0.000 0.000 0.211 66 L C 2.587 179.474 176.870 0.029 0.000 1.071 66 L CA 1.405 56.278 54.840 0.054 0.000 0.749 66 L CB -0.466 41.612 42.059 0.032 0.000 0.890 66 L HN 0.328 nan 8.230 nan 0.000 0.431 67 E N -0.047 120.165 120.200 0.019 0.000 2.077 67 E HA -0.257 4.093 4.350 0.000 0.000 0.193 67 E C 1.870 178.469 176.600 -0.001 0.000 0.989 67 E CA 1.500 57.903 56.400 0.005 0.000 0.800 67 E CB -0.259 29.441 29.700 -0.001 0.000 0.746 67 E HN 0.428 nan 8.360 nan 0.000 0.452 68 N N 1.180 119.875 118.700 -0.009 0.000 2.120 68 N HA -0.144 4.596 4.740 0.000 0.000 0.188 68 N C 1.764 177.274 175.510 0.000 0.000 1.024 68 N CA 0.953 53.992 53.050 -0.018 0.000 0.852 68 N CB -0.112 38.345 38.487 -0.051 0.000 1.003 68 N HN 0.086 nan 8.380 nan 0.000 0.424 69 I N -0.227 120.354 120.570 0.018 0.000 2.185 69 I HA -0.266 3.904 4.170 0.000 0.000 0.246 69 I C 2.273 178.394 176.117 0.008 0.000 1.088 69 I CA 1.475 62.787 61.300 0.020 0.000 1.347 69 I CB -0.782 37.232 38.000 0.024 0.000 1.041 69 I HN 0.314 nan 8.210 nan 0.000 0.415 70 G N 0.255 109.058 108.800 0.005 0.000 2.404 70 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 70 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 70 G C 1.887 176.787 174.900 0.000 0.000 1.174 70 G CA 0.778 45.879 45.100 0.001 0.000 0.780 70 G HN 0.490 nan 8.290 nan 0.000 0.537 71 A N 0.269 123.088 122.820 -0.002 0.000 1.873 71 A HA -0.159 4.161 4.320 0.000 0.000 0.218 71 A C 2.427 180.010 177.584 -0.002 0.000 1.193 71 A CA 2.239 54.274 52.037 -0.004 0.000 0.629 71 A CB -0.503 18.492 19.000 -0.008 0.000 0.826 71 A HN 0.321 nan 8.150 nan 0.000 0.447 72 Q N -0.929 118.871 119.800 -0.001 0.000 2.050 72 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 72 Q C 2.099 178.100 176.000 0.003 0.000 0.980 72 Q CA 1.329 57.133 55.803 0.002 0.000 0.840 72 Q CB -0.869 27.872 28.738 0.005 0.000 0.898 72 Q HN 0.550 nan 8.270 nan 0.000 0.424 73 L N 0.467 121.692 121.223 0.003 0.000 2.079 73 L HA -0.175 4.165 4.340 0.000 0.000 0.210 73 L C 2.181 179.051 176.870 0.001 0.000 1.081 73 L CA 1.206 56.047 54.840 0.002 0.000 0.752 73 L CB -0.706 41.354 42.059 0.001 0.000 0.896 73 L HN 0.233 nan 8.230 nan 0.000 0.433 74 L N -0.771 120.453 121.223 0.001 0.000 1.988 74 L HA -0.183 4.157 4.340 0.000 0.000 0.207 74 L C 2.456 179.326 176.870 0.001 0.000 1.071 74 L CA 1.728 56.568 54.840 0.001 0.000 0.744 74 L CB -0.698 41.361 42.059 0.000 0.000 0.893 74 L HN 0.138 nan 8.230 nan 0.000 0.433 75 K N -0.358 120.043 120.400 0.001 0.000 2.077 75 K HA -0.237 4.083 4.320 0.000 0.000 0.213 75 K C 1.991 178.592 176.600 0.002 0.000 1.051 75 K CA 1.882 58.169 56.287 0.001 0.000 0.929 75 K CB -0.400 32.100 32.500 0.001 0.000 0.715 75 K HN 0.422 nan 8.250 nan 0.000 0.451 76 E N 0.585 120.786 120.200 0.002 0.000 2.007 76 E HA -0.193 4.157 4.350 0.000 0.000 0.203 76 E C 2.217 178.818 176.600 0.001 0.000 1.020 76 E CA 1.368 57.769 56.400 0.002 0.000 0.845 76 E CB -0.660 29.042 29.700 0.003 0.000 0.779 76 E HN 0.056 nan 8.360 nan 0.000 0.466 77 V N 1.808 121.723 119.914 0.001 0.000 2.453 77 V HA -0.303 3.817 4.120 0.000 0.000 0.252 77 V C 2.428 178.522 176.094 0.000 0.000 1.068 77 V CA 1.964 64.265 62.300 0.000 0.000 1.070 77 V CB -1.015 30.808 31.823 0.000 0.000 0.664 77 V HN 0.310 nan 8.190 nan 0.000 0.461 78 A N 0.802 123.623 122.820 0.001 0.000 1.873 78 A HA -0.195 4.125 4.320 0.000 0.000 0.215 78 A C 2.568 180.153 177.584 0.001 0.000 1.186 78 A CA 2.190 54.227 52.037 0.001 0.000 0.616 78 A CB -0.794 18.207 19.000 0.001 0.000 0.823 78 A HN 0.695 nan 8.150 nan 0.000 0.442 79 S N 1.044 116.744 115.700 0.001 0.000 2.402 79 S HA -0.193 4.277 4.470 0.000 0.000 0.229 79 S C 1.574 176.173 174.600 -0.002 0.000 1.021 79 S CA 1.299 59.500 58.200 0.001 0.000 0.974 79 S CB -0.624 62.577 63.200 0.002 0.000 0.800 79 S HN 0.731 nan 8.310 nan 0.000 0.484 80 K N 1.003 121.401 120.400 -0.002 0.000 2.773 80 K HA 0.117 4.437 4.320 0.000 0.000 0.222 80 K C 0.570 177.167 176.600 -0.004 0.000 0.985 80 K CA 0.867 57.152 56.287 -0.004 0.000 1.126 80 K CB -0.471 32.028 32.500 -0.003 0.000 0.919 80 K HN 0.306 nan 8.250 nan 0.000 0.487 81 T N -0.320 114.232 114.554 -0.003 0.000 3.056 81 T HA -0.019 4.331 4.350 0.000 0.000 0.243 81 T C 1.402 176.099 174.700 -0.005 0.000 0.995 81 T CA -0.104 61.995 62.100 -0.003 0.000 1.091 81 T CB -0.095 68.772 68.868 -0.002 0.000 0.990 81 T HN 0.317 nan 8.240 nan 0.000 0.464 82 N N 1.677 120.375 118.700 -0.004 0.000 2.309 82 N HA -0.109 4.631 4.740 0.000 0.000 0.182 82 N C 0.794 176.298 175.510 -0.010 0.000 1.018 82 N CA 1.003 54.050 53.050 -0.005 0.000 0.876 82 N CB -0.106 38.382 38.487 0.001 0.000 0.972 82 N HN 0.217 nan 8.380 nan 0.000 0.434 83 D N -0.602 119.791 120.400 -0.010 0.000 2.310 83 D HA -0.021 4.619 4.640 0.000 0.000 0.212 83 D C 1.263 177.553 176.300 -0.016 0.000 0.965 83 D CA 0.571 54.561 54.000 -0.016 0.000 0.879 83 D CB 0.398 41.188 40.800 -0.016 0.000 0.921 83 D HN 0.137 nan 8.370 nan 0.000 0.510 84 V N -1.070 118.837 119.914 -0.012 0.000 3.432 84 V HA 0.484 4.604 4.120 0.000 0.000 0.298 84 V C 1.001 177.088 176.094 -0.011 0.000 1.464 84 V CA 0.481 62.774 62.300 -0.011 0.000 1.046 84 V CB 0.876 32.696 31.823 -0.006 0.000 0.887 84 V HN 0.163 nan 8.190 nan 0.000 0.441 85 A N -0.626 122.187 122.820 -0.013 0.000 2.736 85 A HA 0.544 4.864 4.320 0.000 0.000 0.222 85 A C 1.546 179.120 177.584 -0.018 0.000 1.267 85 A CA 0.690 52.718 52.037 -0.014 0.000 1.026 85 A CB 0.253 19.247 19.000 -0.010 0.000 1.281 85 A HN 1.276 nan 8.150 nan 0.000 0.577 86 G N -0.260 108.529 108.800 -0.019 0.000 2.225 86 G HA2 -0.095 3.865 3.960 0.000 0.000 0.267 86 G HA3 -0.095 3.865 3.960 0.000 0.000 0.267 86 G C -0.186 174.701 174.900 -0.021 0.000 1.024 86 G CA 1.222 46.308 45.100 -0.024 0.000 0.784 86 G HN 1.139 nan 8.290 nan 0.000 0.507 87 D N -3.461 116.932 120.400 -0.012 0.000 2.913 87 D HA 0.543 5.183 4.640 0.000 0.000 0.293 87 D C 0.821 177.118 176.300 -0.004 0.000 1.238 87 D CA 1.370 55.366 54.000 -0.007 0.000 0.738 87 D CB -0.279 40.514 40.800 -0.012 0.000 1.254 87 D HN 1.471 nan 8.370 nan 0.000 0.429 88 G N -0.051 108.748 108.800 -0.002 0.000 2.147 88 G HA2 -0.287 3.673 3.960 0.000 0.000 0.244 88 G HA3 -0.287 3.673 3.960 0.000 0.000 0.244 88 G C 0.978 175.879 174.900 0.000 0.000 1.005 88 G CA 1.223 46.322 45.100 -0.002 0.000 0.713 88 G HN 0.625 nan 8.290 nan 0.000 0.515 89 T N -0.766 113.790 114.554 0.002 0.000 2.812 89 T HA -0.018 4.333 4.350 0.000 0.000 0.264 89 T C 2.582 177.284 174.700 0.003 0.000 1.042 89 T CA 2.634 64.736 62.100 0.003 0.000 1.140 89 T CB -0.219 68.653 68.868 0.005 0.000 0.870 89 T HN 0.365 nan 8.240 nan 0.000 0.445 90 T N 1.072 115.628 114.554 0.004 0.000 2.777 90 T HA -0.071 4.279 4.350 0.000 0.000 0.266 90 T C 2.097 176.798 174.700 0.002 0.000 1.040 90 T CA 1.782 63.884 62.100 0.003 0.000 1.141 90 T CB -0.726 68.144 68.868 0.003 0.000 0.868 90 T HN 0.379 nan 8.240 nan 0.000 0.444 91 T N 1.762 116.316 114.554 0.001 0.000 2.759 91 T HA -0.045 4.306 4.350 0.000 0.000 0.269 91 T C 2.272 176.972 174.700 0.001 0.000 1.042 91 T CA 1.163 63.264 62.100 0.000 0.000 1.140 91 T CB -0.427 68.440 68.868 -0.001 0.000 0.864 91 T HN 0.421 nan 8.240 nan 0.000 0.455 92 A N 0.863 123.684 122.820 0.001 0.000 1.969 92 A HA -0.079 4.241 4.320 0.000 0.000 0.218 92 A C 2.511 180.096 177.584 0.002 0.000 1.169 92 A CA 1.900 53.938 52.037 0.002 0.000 0.635 92 A CB -0.992 18.008 19.000 0.001 0.000 0.810 92 A HN 0.476 nan 8.150 nan 0.000 0.445 93 T N -0.318 114.237 114.554 0.002 0.000 2.674 93 T HA -0.125 4.225 4.350 0.000 0.000 0.265 93 T C 1.903 176.604 174.700 0.002 0.000 1.039 93 T CA 1.557 63.658 62.100 0.002 0.000 1.150 93 T CB -0.560 68.309 68.868 0.002 0.000 0.864 93 T HN 0.130 nan 8.240 nan 0.000 0.427 94 V N 1.845 121.761 119.914 0.003 0.000 2.231 94 V HA -0.206 3.914 4.120 0.000 0.000 0.248 94 V C 2.576 178.673 176.094 0.004 0.000 1.054 94 V CA 1.794 64.096 62.300 0.003 0.000 1.015 94 V CB -0.820 31.005 31.823 0.004 0.000 0.638 94 V HN 0.442 nan 8.190 nan 0.000 0.444 95 L N -0.148 121.077 121.223 0.004 0.000 2.043 95 L HA -0.249 4.092 4.340 0.000 0.000 0.212 95 L C 2.692 179.564 176.870 0.004 0.000 1.075 95 L CA 1.775 56.617 54.840 0.004 0.000 0.752 95 L CB -0.895 41.167 42.059 0.004 0.000 0.891 95 L HN 0.413 nan 8.230 nan 0.000 0.432 96 A N -0.642 122.180 122.820 0.003 0.000 1.902 96 A HA -0.277 4.043 4.320 0.000 0.000 0.217 96 A C 2.279 179.865 177.584 0.003 0.000 1.181 96 A CA 1.800 53.839 52.037 0.003 0.000 0.623 96 A CB -0.595 18.407 19.000 0.002 0.000 0.818 96 A HN 0.491 nan 8.150 nan 0.000 0.443 97 Q N -0.448 119.354 119.800 0.003 0.000 2.014 97 Q HA -0.218 4.122 4.340 0.000 0.000 0.207 97 Q C 2.270 178.273 176.000 0.004 0.000 0.993 97 Q CA 2.065 57.870 55.803 0.004 0.000 0.850 97 Q CB -0.411 28.329 28.738 0.004 0.000 0.916 97 Q HN 0.601 nan 8.270 nan 0.000 0.417 98 A N 1.085 123.907 122.820 0.005 0.000 1.859 98 A HA -0.245 4.075 4.320 0.000 0.000 0.217 98 A C 2.046 179.633 177.584 0.005 0.000 1.198 98 A CA 1.924 53.964 52.037 0.005 0.000 0.629 98 A CB -1.082 17.922 19.000 0.006 0.000 0.830 98 A HN 0.549 nan 8.150 nan 0.000 0.446 99 I N -0.292 120.282 120.570 0.005 0.000 2.194 99 I HA -0.272 3.898 4.170 0.000 0.000 0.246 99 I C 2.355 178.475 176.117 0.005 0.000 1.093 99 I CA 1.542 62.846 61.300 0.005 0.000 1.355 99 I CB -0.572 37.431 38.000 0.005 0.000 1.046 99 I HN 0.187 nan 8.210 nan 0.000 0.413 100 V N 0.592 120.509 119.914 0.005 0.000 2.295 100 V HA -0.270 3.850 4.120 0.000 0.000 0.246 100 V C 2.612 178.710 176.094 0.006 0.000 1.049 100 V CA 1.813 64.116 62.300 0.005 0.000 1.024 100 V CB -0.771 31.055 31.823 0.004 0.000 0.648 100 V HN 0.384 nan 8.190 nan 0.000 0.447 101 R N 0.125 120.628 120.500 0.006 0.000 2.109 101 R HA -0.184 4.156 4.340 0.000 0.000 0.227 101 R C 2.467 178.770 176.300 0.006 0.000 1.132 101 R CA 2.005 58.108 56.100 0.006 0.000 0.907 101 R CB -0.351 29.952 30.300 0.006 0.000 0.825 101 R HN 0.446 nan 8.270 nan 0.000 0.432 102 E N -0.402 119.802 120.200 0.006 0.000 2.147 102 E HA -0.179 4.171 4.350 0.000 0.000 0.199 102 E C 1.872 178.476 176.600 0.007 0.000 1.005 102 E CA 1.466 57.870 56.400 0.006 0.000 0.810 102 E CB -0.645 29.058 29.700 0.006 0.000 0.736 102 E HN 0.644 nan 8.360 nan 0.000 0.460 103 G N 1.255 110.059 108.800 0.007 0.000 2.433 103 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 103 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 103 G C 1.742 176.647 174.900 0.008 0.000 1.186 103 G CA 0.678 45.782 45.100 0.007 0.000 0.779 103 G HN 0.209 nan 8.290 nan 0.000 0.543 104 L N 0.178 121.406 121.223 0.008 0.000 2.141 104 L HA -0.024 4.316 4.340 0.000 0.000 0.209 104 L C 2.789 179.664 176.870 0.009 0.000 1.094 104 L CA 1.320 56.166 54.840 0.009 0.000 0.763 104 L CB -0.331 41.733 42.059 0.009 0.000 0.908 104 L HN 0.265 nan 8.230 nan 0.000 0.437 105 K N 0.531 120.936 120.400 0.008 0.000 1.985 105 K HA -0.189 4.131 4.320 0.000 0.000 0.210 105 K C 1.910 178.515 176.600 0.007 0.000 1.047 105 K CA 1.613 57.904 56.287 0.007 0.000 0.932 105 K CB -0.042 32.462 32.500 0.007 0.000 0.716 105 K HN 0.283 nan 8.250 nan 0.000 0.439 106 N N 0.396 119.101 118.700 0.007 0.000 2.289 106 N HA -0.128 4.612 4.740 0.000 0.000 0.184 106 N C 1.732 177.246 175.510 0.008 0.000 1.016 106 N CA 1.086 54.140 53.050 0.007 0.000 0.872 106 N CB 0.075 38.566 38.487 0.006 0.000 0.973 106 N HN 0.066 nan 8.380 nan 0.000 0.433 107 V N 1.319 121.238 119.914 0.009 0.000 2.453 107 V HA -0.088 4.033 4.120 0.000 0.000 0.247 107 V C 2.301 178.401 176.094 0.010 0.000 1.048 107 V CA 1.485 63.791 62.300 0.010 0.000 1.049 107 V CB -0.558 31.272 31.823 0.011 0.000 0.672 107 V HN 0.244 nan 8.190 nan 0.000 0.457 108 A N -0.279 122.547 122.820 0.010 0.000 2.168 108 A HA 0.218 4.538 4.320 0.000 0.000 0.215 108 A C 2.047 179.636 177.584 0.008 0.000 1.152 108 A CA 1.272 53.315 52.037 0.010 0.000 0.716 108 A CB -0.309 18.697 19.000 0.010 0.000 0.794 108 A HN 0.538 nan 8.150 nan 0.000 0.465 109 A N -1.862 120.962 122.820 0.007 0.000 2.345 109 A HA 0.466 4.786 4.320 0.000 0.000 0.225 109 A C 1.525 179.113 177.584 0.006 0.000 1.243 109 A CA 0.956 52.996 52.037 0.006 0.000 0.875 109 A CB -0.649 18.354 19.000 0.006 0.000 0.929 109 A HN 1.688 nan 8.150 nan 0.000 0.502 110 G N -1.817 106.987 108.800 0.007 0.000 2.176 110 G HA2 0.118 4.078 3.960 0.000 0.000 0.232 110 G HA3 0.118 4.078 3.960 0.000 0.000 0.232 110 G C 0.460 175.364 174.900 0.006 0.000 0.986 110 G CA 0.090 45.194 45.100 0.006 0.000 0.643 110 G HN 1.552 nan 8.290 nan 0.000 0.522 111 A N -0.048 122.776 122.820 0.007 0.000 2.407 111 A HA 0.587 4.907 4.320 0.000 0.000 0.248 111 A C 0.479 178.068 177.584 0.007 0.000 1.082 111 A CA 0.533 52.574 52.037 0.007 0.000 0.785 111 A CB 0.282 19.286 19.000 0.006 0.000 1.020 111 A HN 0.920 nan 8.150 nan 0.000 0.489 112 N N 2.223 120.927 118.700 0.007 0.000 2.442 112 N HA 0.263 5.003 4.740 0.000 0.000 0.265 112 N C -1.908 173.607 175.510 0.008 0.000 1.138 112 N CA -1.715 51.340 53.050 0.007 0.000 0.956 112 N CB 0.923 39.414 38.487 0.006 0.000 1.067 112 N HN 0.196 nan 8.380 nan 0.000 0.474 113 P HA -0.183 nan 4.420 nan 0.000 0.213 113 P C 1.367 178.671 177.300 0.008 0.000 1.170 113 P CA 1.338 64.444 63.100 0.009 0.000 0.902 113 P CB 0.156 31.863 31.700 0.012 0.000 0.789 114 L N -1.056 120.172 121.223 0.008 0.000 2.043 114 L HA -0.248 4.092 4.340 0.000 0.000 0.212 114 L C 2.493 179.366 176.870 0.006 0.000 1.075 114 L CA 2.008 56.852 54.840 0.007 0.000 0.752 114 L CB -1.497 40.566 42.059 0.006 0.000 0.891 114 L HN -0.015 nan 8.230 nan 0.000 0.432 115 A N 0.097 122.920 122.820 0.006 0.000 1.933 115 A HA -0.137 4.183 4.320 0.000 0.000 0.218 115 A C 2.294 179.881 177.584 0.005 0.000 1.175 115 A CA 1.278 53.318 52.037 0.005 0.000 0.628 115 A CB -0.609 18.394 19.000 0.005 0.000 0.814 115 A HN 0.354 nan 8.150 nan 0.000 0.444 116 L N -0.689 120.538 121.223 0.006 0.000 2.046 116 L HA -0.233 4.107 4.340 0.000 0.000 0.208 116 L C 2.629 179.502 176.870 0.005 0.000 1.077 116 L CA 2.054 56.898 54.840 0.006 0.000 0.747 116 L CB -0.456 41.607 42.059 0.006 0.000 0.896 116 L HN 0.500 nan 8.230 nan 0.000 0.432 117 K N 0.578 120.981 120.400 0.005 0.000 1.969 117 K HA -0.218 4.102 4.320 0.000 0.000 0.216 117 K C 2.219 178.821 176.600 0.004 0.000 1.048 117 K CA 1.615 57.904 56.287 0.005 0.000 0.948 117 K CB -0.095 32.408 32.500 0.004 0.000 0.726 117 K HN 0.098 nan 8.250 nan 0.000 0.442 118 R N -0.447 120.056 120.500 0.004 0.000 2.165 118 R HA -0.200 4.140 4.340 0.000 0.000 0.254 118 R C 2.448 178.750 176.300 0.004 0.000 1.153 118 R CA 1.677 57.779 56.100 0.003 0.000 0.971 118 R CB -0.789 29.513 30.300 0.003 0.000 0.878 118 R HN 0.491 nan 8.270 nan 0.000 0.449 119 G N 0.743 109.545 108.800 0.004 0.000 2.396 119 G HA2 -0.145 3.815 3.960 0.000 0.000 0.214 119 G HA3 -0.145 3.815 3.960 0.000 0.000 0.214 119 G C 1.459 176.362 174.900 0.005 0.000 1.166 119 G CA 0.377 45.480 45.100 0.004 0.000 0.793 119 G HN 0.169 nan 8.290 nan 0.000 0.533 120 I N 0.753 121.326 120.570 0.005 0.000 2.286 120 I HA -0.150 4.020 4.170 0.000 0.000 0.248 120 I C 2.707 178.827 176.117 0.004 0.000 1.115 120 I CA 1.120 62.423 61.300 0.005 0.000 1.392 120 I CB -0.233 37.770 38.000 0.005 0.000 1.065 120 I HN 0.290 nan 8.210 nan 0.000 0.418 121 E N 1.262 121.464 120.200 0.004 0.000 2.015 121 E HA -0.207 4.143 4.350 0.000 0.000 0.191 121 E C 2.144 178.746 176.600 0.004 0.000 0.991 121 E CA 1.069 57.471 56.400 0.003 0.000 0.802 121 E CB -0.143 29.559 29.700 0.003 0.000 0.759 121 E HN 0.440 nan 8.360 nan 0.000 0.447 122 K N 0.827 121.229 120.400 0.004 0.000 2.113 122 K HA -0.174 4.146 4.320 0.000 0.000 0.208 122 K C 2.235 178.838 176.600 0.005 0.000 1.047 122 K CA 1.156 57.445 56.287 0.004 0.000 0.928 122 K CB -0.229 32.273 32.500 0.004 0.000 0.716 122 K HN 0.076 nan 8.250 nan 0.000 0.446 123 A N 1.233 124.056 122.820 0.005 0.000 1.858 123 A HA -0.133 4.187 4.320 0.000 0.000 0.216 123 A C 2.455 180.042 177.584 0.006 0.000 1.190 123 A CA 1.515 53.556 52.037 0.006 0.000 0.617 123 A CB -0.783 18.221 19.000 0.006 0.000 0.827 123 A HN 0.068 nan 8.150 nan 0.000 0.443 124 V N 0.181 120.098 119.914 0.006 0.000 2.255 124 V HA -0.323 3.797 4.120 0.000 0.000 0.247 124 V C 2.419 178.516 176.094 0.005 0.000 1.051 124 V CA 2.433 64.736 62.300 0.005 0.000 1.018 124 V CB -0.975 30.851 31.823 0.005 0.000 0.641 124 V HN 0.649 nan 8.190 nan 0.000 0.445 125 E N 0.185 120.387 120.200 0.005 0.000 2.045 125 E HA -0.342 4.008 4.350 0.000 0.000 0.212 125 E C 2.326 178.930 176.600 0.006 0.000 1.039 125 E CA 1.705 58.108 56.400 0.005 0.000 0.860 125 E CB -0.495 29.207 29.700 0.004 0.000 0.776 125 E HN 0.582 nan 8.360 nan 0.000 0.467 126 A N 1.204 124.027 122.820 0.006 0.000 1.958 126 A HA -0.264 4.056 4.320 0.000 0.000 0.221 126 A C 2.345 179.934 177.584 0.008 0.000 1.178 126 A CA 2.273 54.314 52.037 0.007 0.000 0.642 126 A CB -0.798 18.207 19.000 0.007 0.000 0.816 126 A HN 0.363 nan 8.150 nan 0.000 0.453 127 A N -0.779 122.046 122.820 0.008 0.000 1.855 127 A HA 0.038 4.358 4.320 0.000 0.000 0.215 127 A C 2.249 179.838 177.584 0.009 0.000 1.191 127 A CA 1.727 53.769 52.037 0.009 0.000 0.613 127 A CB -1.012 17.993 19.000 0.009 0.000 0.829 127 A HN 0.427 nan 8.150 nan 0.000 0.442 128 V N 0.166 120.084 119.914 0.007 0.000 2.255 128 V HA -0.318 3.802 4.120 0.000 0.000 0.247 128 V C 2.534 178.632 176.094 0.007 0.000 1.051 128 V CA 2.447 64.751 62.300 0.007 0.000 1.018 128 V CB -0.866 30.960 31.823 0.006 0.000 0.641 128 V HN 0.787 nan 8.190 nan 0.000 0.445 129 E N 0.101 120.305 120.200 0.007 0.000 2.171 129 E HA -0.340 4.010 4.350 0.000 0.000 0.197 129 E C 2.113 178.718 176.600 0.009 0.000 0.997 129 E CA 1.837 58.242 56.400 0.007 0.000 0.810 129 E CB -0.045 29.660 29.700 0.007 0.000 0.738 129 E HN 0.508 nan 8.360 nan 0.000 0.467 130 K N 0.540 120.946 120.400 0.010 0.000 2.116 130 K HA -0.025 4.295 4.320 0.000 0.000 0.203 130 K C 1.816 178.423 176.600 0.012 0.000 1.052 130 K CA 1.029 57.323 56.287 0.012 0.000 0.952 130 K CB -0.168 32.340 32.500 0.013 0.000 0.729 130 K HN 0.186 nan 8.250 nan 0.000 0.446 131 I N 0.781 121.358 120.570 0.011 0.000 2.226 131 I HA -0.316 3.854 4.170 0.000 0.000 0.245 131 I C 2.110 178.233 176.117 0.009 0.000 1.100 131 I CA 1.395 62.701 61.300 0.010 0.000 1.374 131 I CB -0.295 37.709 38.000 0.008 0.000 1.057 131 I HN 0.146 nan 8.210 nan 0.000 0.413 132 K N 1.253 121.658 120.400 0.008 0.000 1.978 132 K HA -0.138 4.182 4.320 0.000 0.000 0.214 132 K C 2.171 178.776 176.600 0.009 0.000 1.049 132 K CA 1.663 57.955 56.287 0.008 0.000 0.939 132 K CB -0.450 32.055 32.500 0.007 0.000 0.721 132 K HN 0.280 nan 8.250 nan 0.000 0.441 133 A N 0.819 123.645 122.820 0.009 0.000 2.272 133 A HA -0.123 4.197 4.320 0.000 0.000 0.213 133 A C 1.730 179.321 177.584 0.012 0.000 1.183 133 A CA 1.090 53.133 52.037 0.010 0.000 0.719 133 A CB -0.224 18.782 19.000 0.010 0.000 0.771 133 A HN 0.239 nan 8.150 nan 0.000 0.484 134 L N -2.022 119.208 121.223 0.012 0.000 2.766 134 L HA 0.495 4.835 4.340 0.000 0.000 0.242 134 L C 1.002 177.880 176.870 0.013 0.000 1.136 134 L CA 0.577 55.425 54.840 0.015 0.000 0.933 134 L CB 0.010 42.079 42.059 0.017 0.000 1.241 134 L HN 0.224 nan 8.230 nan 0.000 0.522 135 A N 0.424 123.250 122.820 0.010 0.000 2.328 135 A HA 0.502 4.822 4.320 0.000 0.000 0.284 135 A C -0.100 177.488 177.584 0.008 0.000 1.160 135 A CA -0.317 51.725 52.037 0.008 0.000 0.818 135 A CB -0.183 18.821 19.000 0.006 0.000 1.087 135 A HN 0.214 nan 8.150 nan 0.000 0.504 136 I N 4.128 124.702 120.570 0.007 0.000 2.396 136 I HA 0.190 4.360 4.170 0.000 0.000 0.289 136 I C -2.055 174.064 176.117 0.004 0.000 1.056 136 I CA -1.682 59.622 61.300 0.006 0.000 1.365 136 I CB 1.237 39.241 38.000 0.006 0.000 1.407 136 I HN 0.428 nan 8.210 nan 0.000 0.509 137 P HA 0.097 nan 4.420 nan 0.000 0.271 137 P C -0.809 176.492 177.300 0.002 0.000 1.216 137 P CA -0.126 62.976 63.100 0.003 0.000 0.776 137 P CB 0.774 32.477 31.700 0.004 0.000 0.881 138 V N 4.075 123.989 119.914 0.001 0.000 2.305 138 V HA 0.205 4.325 4.120 0.000 0.000 0.275 138 V C 0.587 176.681 176.094 -0.000 0.000 1.020 138 V CA 0.138 62.438 62.300 -0.000 0.000 0.811 138 V CB 0.516 32.338 31.823 -0.002 0.000 1.031 138 V HN 0.623 nan 8.190 nan 0.000 0.439 139 E N 0.789 120.989 120.200 0.001 0.000 2.603 139 E HA 0.134 4.485 4.350 0.000 0.000 0.218 139 E C -0.119 176.481 176.600 0.001 0.000 0.878 139 E CA -0.418 55.983 56.400 0.001 0.000 1.348 139 E CB 0.830 30.532 29.700 0.002 0.000 1.318 139 E HN 0.607 nan 8.360 nan 0.000 0.673 140 D N 1.292 121.693 120.400 0.001 0.000 2.372 140 D HA -0.001 4.639 4.640 0.000 0.000 0.243 140 D C 1.165 177.465 176.300 0.000 0.000 1.297 140 D CA 0.214 54.214 54.000 0.001 0.000 0.958 140 D CB 1.004 41.805 40.800 0.001 0.000 1.114 140 D HN -0.067 nan 8.370 nan 0.000 0.496 141 R N 0.856 121.356 120.500 0.000 0.000 2.055 141 R HA -0.049 4.291 4.340 0.000 0.000 0.226 141 R C 1.760 178.059 176.300 -0.002 0.000 1.135 141 R CA 1.513 57.613 56.100 0.000 0.000 0.959 141 R CB -0.203 30.097 30.300 0.000 0.000 0.854 141 R HN 0.256 nan 8.270 nan 0.000 0.431 142 K N 0.366 120.765 120.400 -0.002 0.000 2.057 142 K HA -0.061 4.259 4.320 0.000 0.000 0.207 142 K C 2.095 178.693 176.600 -0.003 0.000 1.049 142 K CA 1.415 57.700 56.287 -0.003 0.000 0.931 142 K CB -0.332 32.167 32.500 -0.002 0.000 0.714 142 K HN 0.281 nan 8.250 nan 0.000 0.440 143 A N 2.156 124.974 122.820 -0.002 0.000 1.848 143 A HA -0.236 4.084 4.320 0.000 0.000 0.217 143 A C 2.158 179.740 177.584 -0.004 0.000 1.220 143 A CA 1.852 53.888 52.037 -0.002 0.000 0.645 143 A CB -1.009 17.990 19.000 -0.001 0.000 0.842 143 A HN 0.224 nan 8.150 nan 0.000 0.451 144 I N -0.633 119.934 120.570 -0.004 0.000 2.236 144 I HA -0.330 3.840 4.170 0.000 0.000 0.249 144 I C 2.638 178.748 176.117 -0.010 0.000 1.102 144 I CA 2.084 63.380 61.300 -0.007 0.000 1.365 144 I CB -0.480 37.517 38.000 -0.005 0.000 1.051 144 I HN 0.605 nan 8.210 nan 0.000 0.420 145 E N 1.055 121.249 120.200 -0.010 0.000 2.028 145 E HA -0.220 4.130 4.350 0.000 0.000 0.191 145 E C 2.070 178.662 176.600 -0.014 0.000 0.988 145 E CA 1.183 57.575 56.400 -0.014 0.000 0.799 145 E CB 0.064 29.757 29.700 -0.012 0.000 0.755 145 E HN 0.493 nan 8.360 nan 0.000 0.447 146 E N 0.089 120.284 120.200 -0.009 0.000 2.058 146 E HA -0.204 4.147 4.350 0.000 0.000 0.194 146 E C 2.240 178.836 176.600 -0.007 0.000 0.997 146 E CA 1.455 57.851 56.400 -0.007 0.000 0.801 146 E CB -0.058 29.639 29.700 -0.005 0.000 0.746 146 E HN 0.124 nan 8.360 nan 0.000 0.450 147 V N 1.599 121.508 119.914 -0.008 0.000 2.219 147 V HA -0.351 3.770 4.120 0.000 0.000 0.248 147 V C 2.404 178.493 176.094 -0.008 0.000 1.053 147 V CA 2.169 64.464 62.300 -0.008 0.000 1.009 147 V CB -0.888 30.930 31.823 -0.008 0.000 0.636 147 V HN 0.384 nan 8.190 nan 0.000 0.445 148 A N -0.621 122.192 122.820 -0.012 0.000 1.908 148 A HA -0.261 4.059 4.320 0.000 0.000 0.218 148 A C 2.362 179.941 177.584 -0.009 0.000 1.181 148 A CA 2.638 54.667 52.037 -0.014 0.000 0.627 148 A CB -1.107 17.877 19.000 -0.027 0.000 0.818 148 A HN 0.552 nan 8.150 nan 0.000 0.445 149 T N 0.500 115.046 114.554 -0.013 0.000 2.699 149 T HA -0.161 4.190 4.350 0.000 0.000 0.268 149 T C 1.781 176.486 174.700 0.008 0.000 1.036 149 T CA 1.692 63.788 62.100 -0.008 0.000 1.147 149 T CB -0.462 68.401 68.868 -0.009 0.000 0.862 149 T HN 0.478 nan 8.240 nan 0.000 0.446 150 I N 1.657 122.230 120.570 0.004 0.000 2.133 150 I HA -0.147 4.023 4.170 0.000 0.000 0.238 150 I C 2.687 178.812 176.117 0.014 0.000 1.074 150 I CA 1.301 62.605 61.300 0.006 0.000 1.342 150 I CB -0.632 37.366 38.000 -0.003 0.000 1.053 150 I HN 0.240 nan 8.210 nan 0.000 0.404 151 S N 1.233 116.939 115.700 0.011 0.000 2.493 151 S HA -0.098 4.372 4.470 0.000 0.000 0.243 151 S C 1.796 176.422 174.600 0.044 0.000 0.991 151 S CA 1.046 59.255 58.200 0.015 0.000 0.957 151 S CB -0.407 62.795 63.200 0.004 0.000 0.756 151 S HN 0.533 nan 8.310 nan 0.000 0.521 152 A N 1.391 124.253 122.820 0.069 0.000 2.108 152 A HA 0.352 4.672 4.320 0.000 0.000 0.206 152 A C 0.906 178.584 177.584 0.157 0.000 1.212 152 A CA 0.261 52.392 52.037 0.157 0.000 0.843 152 A CB -0.352 18.741 19.000 0.155 0.000 0.902 152 A HN 0.562 nan 8.150 nan 0.000 0.477 153 N N 0.066 118.818 118.700 0.087 0.000 2.780 153 N HA -0.163 4.577 4.740 0.000 0.000 0.247 153 N C -1.445 174.123 175.510 0.095 0.000 1.076 153 N CA 0.750 53.842 53.050 0.068 0.000 0.688 153 N CB -0.638 37.882 38.487 0.054 0.000 0.957 153 N HN 0.448 nan 8.380 nan 0.000 0.551 154 D N -0.682 119.766 120.400 0.079 0.000 2.369 154 D HA 0.118 4.759 4.640 0.000 0.000 0.212 154 D C -2.006 174.295 176.300 0.002 0.000 1.326 154 D CA -0.918 53.120 54.000 0.063 0.000 0.933 154 D CB 1.484 42.359 40.800 0.126 0.000 1.516 154 D HN 0.027 nan 8.370 nan 0.000 0.557 155 P HA -0.120 nan 4.420 nan 0.000 0.220 155 P C 0.884 178.163 177.300 -0.036 0.000 1.148 155 P CA 0.988 64.079 63.100 -0.015 0.000 0.803 155 P CB 0.864 32.561 31.700 -0.006 0.000 0.782 156 E N 0.118 120.291 120.200 -0.045 0.000 2.016 156 E HA -0.077 4.274 4.350 0.000 0.000 0.190 156 E C 2.188 178.714 176.600 -0.124 0.000 0.985 156 E CA 1.017 57.376 56.400 -0.067 0.000 0.802 156 E CB -0.694 28.972 29.700 -0.058 0.000 0.762 156 E HN 0.013 nan 8.360 nan 0.000 0.448 157 V N 1.499 121.286 119.914 -0.212 0.000 2.568 157 V HA -0.216 3.905 4.120 0.000 0.000 0.253 157 V C 2.304 178.269 176.094 -0.215 0.000 1.072 157 V CA 1.860 63.944 62.300 -0.360 0.000 1.084 157 V CB -1.168 30.206 31.823 -0.748 0.000 0.676 157 V HN 0.418 nan 8.190 nan 0.000 0.469 158 G N -0.313 108.410 108.800 -0.128 0.000 2.421 158 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 158 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 158 G C 1.693 176.554 174.900 -0.065 0.000 1.171 158 G CA 0.608 45.662 45.100 -0.076 0.000 0.775 158 G HN 0.342 nan 8.290 nan 0.000 0.543 159 K N 0.298 120.663 120.400 -0.059 0.000 1.991 159 K HA 0.002 4.322 4.320 0.000 0.000 0.212 159 K C 2.628 179.205 176.600 -0.040 0.000 1.049 159 K CA 0.849 57.113 56.287 -0.039 0.000 0.932 159 K CB -0.918 31.562 32.500 -0.033 0.000 0.717 159 K HN 0.337 nan 8.250 nan 0.000 0.441 160 L N 0.738 121.922 121.223 -0.065 0.000 1.978 160 L HA -0.254 4.086 4.340 0.000 0.000 0.218 160 L C 2.550 179.383 176.870 -0.062 0.000 1.075 160 L CA 1.488 56.291 54.840 -0.062 0.000 0.767 160 L CB -0.637 41.354 42.059 -0.113 0.000 0.890 160 L HN 0.173 nan 8.230 nan 0.000 0.434 161 I N -0.242 120.273 120.570 -0.092 0.000 2.194 161 I HA -0.327 3.844 4.170 0.000 0.000 0.246 161 I C 2.824 178.916 176.117 -0.041 0.000 1.093 161 I CA 1.258 62.512 61.300 -0.076 0.000 1.355 161 I CB -0.548 37.404 38.000 -0.080 0.000 1.046 161 I HN 0.265 nan 8.210 nan 0.000 0.413 162 A N 0.766 123.569 122.820 -0.030 0.000 1.858 162 A HA -0.230 4.090 4.320 0.000 0.000 0.216 162 A C 2.015 179.607 177.584 0.014 0.000 1.190 162 A CA 2.051 54.083 52.037 -0.009 0.000 0.617 162 A CB -0.643 18.351 19.000 -0.010 0.000 0.827 162 A HN 0.362 nan 8.150 nan 0.000 0.443 163 D N 0.255 120.671 120.400 0.028 0.000 2.092 163 D HA -0.123 4.517 4.640 0.000 0.000 0.193 163 D C 2.281 178.663 176.300 0.136 0.000 0.994 163 D CA 1.656 55.704 54.000 0.080 0.000 0.828 163 D CB -0.659 40.200 40.800 0.098 0.000 0.963 163 D HN 0.416 nan 8.370 nan 0.000 0.450 164 A N 1.134 124.002 122.820 0.078 0.000 1.927 164 A HA -0.242 4.078 4.320 0.000 0.000 0.220 164 A C 2.327 179.926 177.584 0.026 0.000 1.185 164 A CA 1.978 54.013 52.037 -0.004 0.000 0.639 164 A CB -0.655 18.265 19.000 -0.134 0.000 0.820 164 A HN 0.191 nan 8.150 nan 0.000 0.451 165 M N -1.300 118.309 119.600 0.015 0.000 2.156 165 M HA -0.111 4.369 4.480 0.000 0.000 0.264 165 M C 2.092 178.418 176.300 0.043 0.000 1.067 165 M CA 1.256 56.565 55.300 0.015 0.000 1.131 165 M CB -0.533 32.067 32.600 0.000 0.000 1.368 165 M HN 0.388 nan 8.290 nan 0.000 0.416 166 E N 1.109 121.340 120.200 0.052 0.000 2.086 166 E HA -0.228 4.122 4.350 0.000 0.000 0.200 166 E C 1.878 178.520 176.600 0.069 0.000 1.012 166 E CA 1.604 58.035 56.400 0.051 0.000 0.812 166 E CB -0.214 29.514 29.700 0.047 0.000 0.743 166 E HN 0.581 nan 8.360 nan 0.000 0.453 167 K N 0.027 120.505 120.400 0.130 0.000 2.078 167 K HA 0.018 4.338 4.320 0.000 0.000 0.203 167 K C 2.278 178.975 176.600 0.162 0.000 1.043 167 K CA 0.787 57.168 56.287 0.157 0.000 0.960 167 K CB -0.027 32.626 32.500 0.255 0.000 0.761 167 K HN -0.078 nan 8.250 nan 0.000 0.448 168 V N 0.950 120.974 119.914 0.183 0.000 2.626 168 V HA -0.039 4.081 4.120 0.000 0.000 0.252 168 V C 1.066 177.194 176.094 0.056 0.000 1.067 168 V CA 1.064 63.429 62.300 0.110 0.000 1.081 168 V CB -1.220 30.630 31.823 0.045 0.000 0.686 168 V HN 0.650 nan 8.190 nan 0.000 0.468 169 G N -0.041 108.786 108.800 0.045 0.000 2.756 169 G HA2 -0.199 3.761 3.960 0.000 0.000 0.678 169 G HA3 -0.199 3.761 3.960 0.000 0.000 0.678 169 G C 0.258 175.164 174.900 0.010 0.000 1.349 169 G CA 0.086 45.201 45.100 0.025 0.000 0.847 169 G HN 0.197 nan 8.290 nan 0.000 0.548 170 K N 0.220 120.623 120.400 0.006 0.000 1.991 170 K HA -0.095 4.225 4.320 0.000 0.000 0.212 170 K C 1.863 178.458 176.600 -0.007 0.000 1.049 170 K CA 1.962 58.248 56.287 -0.001 0.000 0.932 170 K CB -0.097 32.403 32.500 -0.000 0.000 0.717 170 K HN 0.630 nan 8.250 nan 0.000 0.441 171 E N 0.790 120.986 120.200 -0.007 0.000 2.403 171 E HA 0.044 4.394 4.350 0.000 0.000 0.187 171 E C 0.643 177.231 176.600 -0.019 0.000 1.073 171 E CA -0.453 55.939 56.400 -0.015 0.000 0.888 171 E CB 0.395 30.086 29.700 -0.014 0.000 1.035 171 E HN 0.278 nan 8.360 nan 0.000 0.471 172 G N 0.882 109.674 108.800 -0.013 0.000 2.535 172 G HA2 0.443 4.403 3.960 0.000 0.000 0.282 172 G HA3 0.443 4.403 3.960 0.000 0.000 0.282 172 G C -0.135 174.746 174.900 -0.032 0.000 1.350 172 G CA -0.591 44.502 45.100 -0.012 0.000 1.039 172 G HN 0.054 nan 8.290 nan 0.000 0.509 173 I N 0.220 120.769 120.570 -0.035 0.000 2.406 173 I HA 0.431 4.601 4.170 0.000 0.000 0.290 173 I C -0.557 175.514 176.117 -0.075 0.000 0.999 173 I CA -0.278 60.990 61.300 -0.053 0.000 1.124 173 I CB 1.734 39.707 38.000 -0.046 0.000 1.289 173 I HN 0.144 nan 8.210 nan 0.000 0.441 174 I N 4.771 125.294 120.570 -0.079 0.000 2.686 174 I HA 0.554 4.724 4.170 0.000 0.000 0.295 174 I C -0.663 175.406 176.117 -0.080 0.000 1.114 174 I CA -0.366 60.873 61.300 -0.103 0.000 1.038 174 I CB 2.641 40.583 38.000 -0.097 0.000 1.238 174 I HN 0.480 nan 8.210 nan 0.000 0.420 175 T N 3.442 117.945 114.554 -0.085 0.000 2.868 175 T HA 0.500 4.850 4.350 0.000 0.000 0.306 175 T C -1.014 173.658 174.700 -0.046 0.000 1.224 175 T CA -0.563 61.504 62.100 -0.055 0.000 1.012 175 T CB 2.636 71.478 68.868 -0.044 0.000 1.221 175 T HN 0.198 nan 8.240 nan 0.000 0.499 176 V N 2.504 122.409 119.914 -0.015 0.000 2.409 176 V HA 0.539 4.659 4.120 0.000 0.000 0.291 176 V C -0.578 175.529 176.094 0.021 0.000 1.020 176 V CA -0.733 61.576 62.300 0.015 0.000 0.848 176 V CB 1.563 33.420 31.823 0.056 0.000 0.990 176 V HN 0.741 nan 8.190 nan 0.000 0.430 177 E N 2.826 123.039 120.200 0.021 0.000 2.227 177 E HA 0.436 4.786 4.350 0.000 0.000 0.268 177 E C -0.704 175.917 176.600 0.034 0.000 0.907 177 E CA -0.939 55.473 56.400 0.020 0.000 0.786 177 E CB 2.279 31.982 29.700 0.005 0.000 1.191 177 E HN 0.620 nan 8.360 nan 0.000 0.411 178 E N 0.959 121.177 120.200 0.029 0.000 1.858 178 E HA 0.096 4.446 4.350 0.000 0.000 0.267 178 E C 0.161 176.775 176.600 0.024 0.000 1.215 178 E CA -0.000 56.417 56.400 0.029 0.000 0.952 178 E CB 0.410 30.121 29.700 0.020 0.000 1.058 178 E HN 0.258 nan 8.360 nan 0.000 0.407 179 S N 2.600 118.318 115.700 0.031 0.000 2.598 179 S HA 0.025 4.495 4.470 0.000 0.000 0.256 179 S C 0.900 175.512 174.600 0.020 0.000 1.350 179 S CA 0.040 58.255 58.200 0.024 0.000 0.984 179 S CB 0.633 63.850 63.200 0.029 0.000 0.930 179 S HN 0.506 nan 8.310 nan 0.000 0.577 180 K N 0.176 120.585 120.400 0.016 0.000 2.399 180 K HA 0.143 4.463 4.320 0.000 0.000 0.196 180 K C 0.571 177.179 176.600 0.014 0.000 1.103 180 K CA 0.083 56.377 56.287 0.012 0.000 0.986 180 K CB 0.243 32.748 32.500 0.008 0.000 0.952 180 K HN 0.646 nan 8.250 nan 0.000 0.541 181 S N 0.862 116.572 115.700 0.017 0.000 2.585 181 S HA 0.165 4.635 4.470 0.000 0.000 0.273 181 S C 0.901 175.515 174.600 0.023 0.000 1.339 181 S CA -0.536 57.675 58.200 0.017 0.000 1.028 181 S CB 0.583 63.793 63.200 0.017 0.000 0.906 181 S HN 0.152 nan 8.310 nan 0.000 0.528 182 L N 0.343 121.579 121.223 0.021 0.000 2.645 182 L HA 0.312 4.652 4.340 0.000 0.000 0.234 182 L C 0.575 177.464 176.870 0.032 0.000 1.165 182 L CA 0.337 55.192 54.840 0.025 0.000 0.944 182 L CB -0.844 41.226 42.059 0.019 0.000 1.149 182 L HN 0.713 nan 8.230 nan 0.000 0.446 183 E N -0.404 119.815 120.200 0.032 0.000 2.288 183 E HA 0.366 4.716 4.350 0.000 0.000 0.268 183 E C -0.758 175.864 176.600 0.037 0.000 0.885 183 E CA -0.556 55.863 56.400 0.033 0.000 0.767 183 E CB 2.306 32.019 29.700 0.022 0.000 1.220 183 E HN -0.122 nan 8.360 nan 0.000 0.427 184 T N 2.502 117.077 114.554 0.035 0.000 2.767 184 T HA 0.319 4.669 4.350 0.000 0.000 0.288 184 T C -0.528 174.167 174.700 -0.009 0.000 0.963 184 T CA -0.473 61.640 62.100 0.022 0.000 1.019 184 T CB 0.653 69.528 68.868 0.011 0.000 0.923 184 T HN 0.362 nan 8.240 nan 0.000 0.468 185 E N 1.476 121.671 120.200 -0.008 0.000 2.410 185 E HA 0.646 4.996 4.350 0.000 0.000 0.269 185 E C -1.402 175.189 176.600 -0.015 0.000 0.937 185 E CA -1.123 55.273 56.400 -0.006 0.000 0.793 185 E CB 1.935 31.642 29.700 0.011 0.000 1.314 185 E HN 0.271 nan 8.360 nan 0.000 0.447 186 L N 1.195 122.423 121.223 0.008 0.000 2.325 186 L HA 0.485 4.825 4.340 0.000 0.000 0.281 186 L C -1.531 175.390 176.870 0.085 0.000 1.004 186 L CA -0.211 54.633 54.840 0.007 0.000 0.823 186 L CB 0.747 42.827 42.059 0.035 0.000 1.236 186 L HN 0.427 nan 8.230 nan 0.000 0.415 187 K N 5.074 125.491 120.400 0.028 0.000 2.378 187 K HA 0.505 4.825 4.320 0.000 0.000 0.252 187 K C -1.435 175.210 176.600 0.075 0.000 0.931 187 K CA -0.381 55.983 56.287 0.129 0.000 0.794 187 K CB 1.941 34.479 32.500 0.063 0.000 1.181 187 K HN 0.307 nan 8.250 nan 0.000 0.425 188 F N 2.333 122.280 119.950 -0.005 0.000 2.359 188 F HA 0.189 4.716 4.527 0.000 0.000 0.355 188 F C 0.394 176.195 175.800 0.002 0.000 1.132 188 F CA -0.822 57.177 58.000 -0.001 0.000 1.246 188 F CB 0.127 39.126 39.000 -0.002 0.000 1.569 188 F HN 0.151 nan 8.300 nan 0.000 0.561 189 V N 0.432 120.402 119.914 0.092 0.000 3.698 189 V HA 0.246 4.366 4.120 0.000 0.000 0.280 189 V C 0.333 176.468 176.094 0.070 0.000 0.995 189 V CA -0.578 61.762 62.300 0.067 0.000 1.000 189 V CB 1.016 32.856 31.823 0.028 0.000 1.248 189 V HN 0.312 nan 8.190 nan 0.000 0.429 190 E N -0.820 119.412 120.200 0.053 0.000 2.222 190 E HA 0.727 5.077 4.350 0.000 0.000 0.267 190 E C 0.017 176.652 176.600 0.057 0.000 0.963 190 E CA 0.520 56.954 56.400 0.057 0.000 0.837 190 E CB 1.594 31.319 29.700 0.042 0.000 1.183 190 E HN 0.958 nan 8.360 nan 0.000 0.403 191 G N 0.257 109.107 108.800 0.083 0.000 2.323 191 G HA2 0.314 4.274 3.960 0.000 0.000 0.291 191 G HA3 0.314 4.274 3.960 0.000 0.000 0.291 191 G C -2.071 172.964 174.900 0.224 0.000 1.278 191 G CA -0.557 44.612 45.100 0.115 0.000 0.860 191 G HN 0.332 nan 8.290 nan 0.000 0.504 192 Y N -0.388 119.936 120.300 0.040 0.000 2.744 192 Y HA 0.801 5.351 4.550 0.000 0.000 0.330 192 Y C -1.011 174.954 175.900 0.108 0.000 1.263 192 Y CA -0.633 57.503 58.100 0.060 0.000 1.065 192 Y CB 2.401 40.888 38.460 0.044 0.000 1.306 192 Y HN 0.800 nan 8.280 nan 0.000 0.459 193 Q N 2.824 122.529 119.800 -0.158 0.000 2.430 193 Q HA 0.423 4.763 4.340 0.000 0.000 0.253 193 Q C -2.164 173.807 176.000 -0.047 0.000 0.945 193 Q CA -0.465 55.327 55.803 -0.019 0.000 0.964 193 Q CB 1.529 30.219 28.738 -0.080 0.000 1.460 193 Q HN 0.586 nan 8.270 nan 0.000 0.428 194 F N 0.080 119.930 119.950 -0.168 0.000 2.611 194 F HA 0.632 5.159 4.527 0.000 0.000 0.324 194 F C -0.395 175.356 175.800 -0.083 0.000 1.061 194 F CA -1.161 56.757 58.000 -0.137 0.000 0.954 194 F CB 1.309 40.270 39.000 -0.065 0.000 1.301 194 F HN 0.217 nan 8.300 nan 0.000 0.482 195 D N 3.271 123.634 120.400 -0.061 0.000 2.558 195 D HA 0.247 4.887 4.640 0.000 0.000 0.221 195 D C -0.443 175.768 176.300 -0.149 0.000 1.143 195 D CA 0.223 54.145 54.000 -0.129 0.000 1.010 195 D CB 0.369 41.153 40.800 -0.026 0.000 1.068 195 D HN 0.361 nan 8.370 nan 0.000 0.511 196 K N 0.201 120.396 120.400 -0.342 0.000 2.568 196 K HA 0.651 4.971 4.320 0.000 0.000 0.273 196 K C -0.025 176.377 176.600 -0.329 0.000 0.951 196 K CA -0.838 55.304 56.287 -0.241 0.000 0.854 196 K CB 2.600 35.041 32.500 -0.098 0.000 1.424 196 K HN 0.309 nan 8.250 nan 0.000 0.427 197 G N 0.051 108.720 108.800 -0.218 0.000 3.022 197 G HA2 0.519 4.479 3.960 0.000 0.000 0.284 197 G HA3 0.519 4.479 3.960 0.000 0.000 0.284 197 G C -1.208 173.633 174.900 -0.098 0.000 1.375 197 G CA -0.755 44.186 45.100 -0.265 0.000 0.902 197 G HN 0.450 nan 8.290 nan 0.000 0.538 198 Y N -0.073 120.273 120.300 0.078 0.000 2.802 198 Y HA 0.228 4.778 4.550 0.000 0.000 0.333 198 Y C 1.442 177.445 175.900 0.170 0.000 1.244 198 Y CA -0.844 57.375 58.100 0.198 0.000 1.558 198 Y CB -0.102 38.513 38.460 0.258 0.000 1.233 198 Y HN 0.279 nan 8.280 nan 0.000 0.547 199 I N 1.559 122.375 120.570 0.411 0.000 2.700 199 I HA -0.186 3.985 4.170 0.000 0.000 0.261 199 I C 0.950 177.166 176.117 0.164 0.000 1.219 199 I CA 1.475 62.931 61.300 0.260 0.000 1.463 199 I CB -0.162 38.002 38.000 0.275 0.000 1.092 199 I HN 0.692 nan 8.210 nan 0.000 0.452 200 S N -0.210 115.545 115.700 0.092 0.000 2.572 200 S HA 0.342 4.812 4.470 0.000 0.000 0.274 200 S C -2.058 172.461 174.600 -0.136 0.000 1.150 200 S CA -1.238 56.885 58.200 -0.129 0.000 0.944 200 S CB 1.795 64.673 63.200 -0.537 0.000 1.071 200 S HN -0.155 nan 8.310 nan 0.000 0.479 201 P HA -0.027 nan 4.420 nan 0.000 0.234 201 P C 0.470 177.501 177.300 -0.450 0.000 1.167 201 P CA 0.670 63.575 63.100 -0.324 0.000 0.763 201 P CB -0.170 31.463 31.700 -0.110 0.000 0.835 202 Y N -1.466 118.587 120.300 -0.412 0.000 2.516 202 Y HA 0.094 4.644 4.550 0.000 0.000 0.291 202 Y C 2.146 177.932 175.900 -0.190 0.000 1.131 202 Y CA 0.577 58.495 58.100 -0.303 0.000 1.281 202 Y CB -1.115 37.168 38.460 -0.294 0.000 1.013 202 Y HN -0.091 nan 8.280 nan 0.000 0.554 203 F N -1.113 118.785 119.950 -0.087 0.000 2.802 203 F HA 0.005 4.532 4.527 0.000 0.000 0.300 203 F C 0.776 176.464 175.800 -0.186 0.000 1.168 203 F CA -0.479 57.464 58.000 -0.096 0.000 1.433 203 F CB -0.008 38.967 39.000 -0.042 0.000 1.115 203 F HN -0.304 nan 8.300 nan 0.000 0.582 204 V N 1.094 120.899 119.914 -0.181 0.000 2.599 204 V HA -0.125 3.996 4.120 0.000 0.000 0.300 204 V C 1.106 177.160 176.094 -0.067 0.000 1.034 204 V CA 0.824 63.002 62.300 -0.203 0.000 1.115 204 V CB 1.068 32.710 31.823 -0.302 0.000 0.934 204 V HN 0.247 nan 8.190 nan 0.000 0.485 205 T N 2.915 117.453 114.554 -0.027 0.000 2.901 205 T HA -0.016 4.334 4.350 0.000 0.000 0.252 205 T C 0.970 175.658 174.700 -0.019 0.000 1.035 205 T CA 0.623 62.718 62.100 -0.008 0.000 1.142 205 T CB -0.073 68.800 68.868 0.009 0.000 0.869 205 T HN 0.621 nan 8.240 nan 0.000 0.442 206 N N 1.549 120.240 118.700 -0.015 0.000 2.469 206 N HA 0.211 4.951 4.740 0.000 0.000 0.253 206 N C -2.425 173.068 175.510 -0.027 0.000 0.970 206 N CA -2.064 50.976 53.050 -0.017 0.000 0.940 206 N CB 2.112 40.599 38.487 -0.000 0.000 1.128 206 N HN -0.088 nan 8.380 nan 0.000 0.503 207 P HA -0.121 nan 4.420 nan 0.000 0.215 207 P C 0.682 177.962 177.300 -0.033 0.000 1.157 207 P CA 1.437 64.505 63.100 -0.053 0.000 0.874 207 P CB 0.557 32.222 31.700 -0.058 0.000 0.790 208 E N -0.754 119.430 120.200 -0.027 0.000 2.012 208 E HA -0.165 4.185 4.350 0.000 0.000 0.197 208 E C 1.984 178.581 176.600 -0.005 0.000 1.007 208 E CA 2.058 58.444 56.400 -0.023 0.000 0.816 208 E CB -1.033 28.647 29.700 -0.034 0.000 0.762 208 E HN 0.347 nan 8.360 nan 0.000 0.451 209 T N -0.873 113.686 114.554 0.008 0.000 3.051 209 T HA -0.074 4.276 4.350 0.000 0.000 0.269 209 T C 1.081 175.814 174.700 0.055 0.000 1.127 209 T CA 0.388 62.510 62.100 0.036 0.000 1.107 209 T CB 0.000 68.894 68.868 0.044 0.000 0.898 209 T HN 0.054 nan 8.240 nan 0.000 0.517 210 M N 1.097 120.724 119.600 0.044 0.000 2.461 210 M HA -0.144 4.336 4.480 0.000 0.000 0.203 210 M C -0.496 175.911 176.300 0.179 0.000 0.428 210 M CA 0.798 56.147 55.300 0.082 0.000 0.509 210 M CB -2.219 30.447 32.600 0.110 0.000 1.851 210 M HN 0.629 nan 8.290 nan 0.000 0.834 211 E N -0.484 119.788 120.200 0.121 0.000 2.281 211 E HA 0.808 5.158 4.350 0.000 0.000 0.262 211 E C -0.129 176.534 176.600 0.104 0.000 0.933 211 E CA -0.631 55.870 56.400 0.168 0.000 0.809 211 E CB 1.816 31.577 29.700 0.101 0.000 1.242 211 E HN 0.367 nan 8.360 nan 0.000 0.418 212 A N 1.393 124.298 122.820 0.142 0.000 2.310 212 A HA 0.499 4.819 4.320 0.000 0.000 0.304 212 A C -0.988 176.639 177.584 0.072 0.000 1.231 212 A CA -0.554 51.537 52.037 0.090 0.000 0.799 212 A CB 0.668 19.751 19.000 0.138 0.000 1.162 212 A HN 0.273 nan 8.150 nan 0.000 0.486 213 V N 4.303 124.242 119.914 0.042 0.000 2.384 213 V HA 0.449 4.569 4.120 0.000 0.000 0.287 213 V C -0.370 175.735 176.094 0.017 0.000 1.020 213 V CA -0.228 62.089 62.300 0.029 0.000 0.850 213 V CB 1.194 33.031 31.823 0.022 0.000 0.987 213 V HN 0.762 nan 8.190 nan 0.000 0.436 214 L N 4.859 126.090 121.223 0.013 0.000 2.356 214 L HA 0.631 4.971 4.340 0.000 0.000 0.277 214 L C -0.160 176.705 176.870 -0.008 0.000 0.996 214 L CA -0.459 54.382 54.840 0.002 0.000 0.822 214 L CB 2.088 44.148 42.059 0.000 0.000 1.256 214 L HN 0.565 nan 8.230 nan 0.000 0.413 215 E N 2.847 123.037 120.200 -0.017 0.000 2.158 215 E HA 0.178 4.528 4.350 0.000 0.000 0.271 215 E C -1.091 175.476 176.600 -0.055 0.000 0.911 215 E CA -0.660 55.723 56.400 -0.028 0.000 0.767 215 E CB 1.392 31.080 29.700 -0.019 0.000 1.120 215 E HN 0.491 nan 8.360 nan 0.000 0.405 216 D N 1.643 121.996 120.400 -0.079 0.000 2.812 216 D HA -0.182 4.458 4.640 0.000 0.000 0.237 216 D C -1.182 174.992 176.300 -0.210 0.000 1.162 216 D CA 0.866 54.782 54.000 -0.139 0.000 0.740 216 D CB -0.547 40.182 40.800 -0.117 0.000 1.000 216 D HN 0.478 nan 8.370 nan 0.000 0.416 217 A N 0.631 123.333 122.820 -0.198 0.000 2.350 217 A HA 0.769 5.089 4.320 0.000 0.000 0.318 217 A C -0.192 177.231 177.584 -0.268 0.000 1.132 217 A CA -0.645 51.274 52.037 -0.197 0.000 0.811 217 A CB 0.974 19.947 19.000 -0.046 0.000 1.313 217 A HN 0.088 nan 8.150 nan 0.000 0.454 218 F N -0.203 119.747 119.950 -0.001 0.000 2.371 218 F HA 0.491 5.018 4.527 0.000 0.000 0.329 218 F C 0.537 176.338 175.800 0.001 0.000 1.107 218 F CA 0.015 58.015 58.000 -0.000 0.000 1.137 218 F CB 1.076 40.075 39.000 -0.002 0.000 1.214 218 F HN 0.243 nan 8.300 nan 0.000 0.536 219 I N 4.168 124.846 120.570 0.181 0.000 2.697 219 I HA 0.124 4.294 4.170 0.000 0.000 0.279 219 I C -0.815 175.355 176.117 0.088 0.000 1.171 219 I CA -0.736 60.627 61.300 0.104 0.000 1.135 219 I CB 0.809 38.848 38.000 0.065 0.000 1.445 219 I HN 0.313 nan 8.210 nan 0.000 0.541 220 L N 6.915 128.190 121.223 0.086 0.000 2.774 220 L HA 0.145 4.485 4.340 0.000 0.000 0.279 220 L C -0.051 176.842 176.870 0.039 0.000 1.137 220 L CA 0.828 55.702 54.840 0.056 0.000 1.021 220 L CB -0.470 41.612 42.059 0.040 0.000 1.366 220 L HN 0.336 nan 8.230 nan 0.000 0.471 221 I N 6.380 126.967 120.570 0.028 0.000 2.269 221 I HA 0.189 4.359 4.170 0.000 0.000 0.293 221 I C 0.112 176.238 176.117 0.015 0.000 1.106 221 I CA -0.388 60.915 61.300 0.005 0.000 1.248 221 I CB 0.365 38.352 38.000 -0.023 0.000 1.444 221 I HN 0.337 nan 8.210 nan 0.000 0.497 222 V N 5.788 125.712 119.914 0.017 0.000 3.234 222 V HA 0.272 4.392 4.120 0.000 0.000 0.317 222 V C 0.888 176.989 176.094 0.012 0.000 1.081 222 V CA -0.317 61.997 62.300 0.024 0.000 1.037 222 V CB 2.041 33.877 31.823 0.023 0.000 1.148 222 V HN 0.810 nan 8.190 nan 0.000 0.453 223 E N -0.253 119.957 120.200 0.018 0.000 2.665 223 E HA 0.199 4.549 4.350 0.000 0.000 0.225 223 E C 0.502 177.112 176.600 0.017 0.000 0.922 223 E CA -0.172 56.235 56.400 0.012 0.000 1.242 223 E CB 0.666 30.374 29.700 0.013 0.000 1.197 223 E HN 0.619 nan 8.360 nan 0.000 0.581 224 K N 0.815 121.225 120.400 0.018 0.000 2.210 224 K HA 0.302 4.622 4.320 0.000 0.000 0.236 224 K C -0.618 175.994 176.600 0.020 0.000 1.016 224 K CA -0.615 55.681 56.287 0.016 0.000 0.913 224 K CB 1.123 33.626 32.500 0.006 0.000 1.141 224 K HN -0.215 nan 8.250 nan 0.000 0.462 225 K N 1.991 122.403 120.400 0.020 0.000 2.231 225 K HA 0.166 4.486 4.320 0.000 0.000 0.275 225 K C -0.923 175.689 176.600 0.021 0.000 1.105 225 K CA -0.389 55.914 56.287 0.026 0.000 0.931 225 K CB 1.036 33.553 32.500 0.028 0.000 1.296 225 K HN 0.284 nan 8.250 nan 0.000 0.446 226 V N 3.588 123.517 119.914 0.024 0.000 2.390 226 V HA -0.059 4.061 4.120 0.000 0.000 0.260 226 V C 1.168 177.276 176.094 0.024 0.000 1.043 226 V CA 0.498 62.809 62.300 0.018 0.000 1.047 226 V CB 0.150 31.986 31.823 0.022 0.000 1.066 226 V HN 0.826 nan 8.190 nan 0.000 0.481 227 S N 2.300 118.009 115.700 0.015 0.000 2.628 227 S HA 0.158 4.628 4.470 0.000 0.000 0.246 227 S C 0.479 175.084 174.600 0.008 0.000 1.062 227 S CA -0.374 57.836 58.200 0.016 0.000 1.028 227 S CB 0.041 63.250 63.200 0.015 0.000 0.985 227 S HN 0.617 nan 8.310 nan 0.000 0.551 228 N N 0.881 119.582 118.700 0.001 0.000 2.438 228 N HA 0.453 5.193 4.740 0.000 0.000 0.282 228 N C 0.857 176.363 175.510 -0.007 0.000 1.037 228 N CA -0.346 52.701 53.050 -0.005 0.000 0.942 228 N CB 1.666 40.145 38.487 -0.012 0.000 1.136 228 N HN -0.087 nan 8.380 nan 0.000 0.481 229 V N 3.198 123.108 119.914 -0.006 0.000 2.307 229 V HA -0.143 3.977 4.120 0.000 0.000 0.245 229 V C 2.370 178.455 176.094 -0.014 0.000 1.045 229 V CA 1.417 63.714 62.300 -0.007 0.000 1.024 229 V CB -0.679 31.141 31.823 -0.005 0.000 0.651 229 V HN 0.675 nan 8.190 nan 0.000 0.449 230 R N 1.703 122.192 120.500 -0.017 0.000 2.119 230 R HA -0.231 4.109 4.340 0.000 0.000 0.246 230 R C 2.119 178.399 176.300 -0.034 0.000 1.146 230 R CA 2.302 58.388 56.100 -0.024 0.000 0.962 230 R CB -0.660 29.626 30.300 -0.023 0.000 0.863 230 R HN 0.806 nan 8.270 nan 0.000 0.442 231 E N -0.840 119.337 120.200 -0.038 0.000 2.511 231 E HA -0.078 4.273 4.350 0.000 0.000 0.196 231 E C 1.716 178.285 176.600 -0.052 0.000 1.066 231 E CA 0.599 56.966 56.400 -0.055 0.000 0.871 231 E CB -0.088 29.575 29.700 -0.061 0.000 0.863 231 E HN 0.456 nan 8.360 nan 0.000 0.520 232 L N -0.168 121.034 121.223 -0.035 0.000 2.547 232 L HA 0.192 4.532 4.340 0.000 0.000 0.218 232 L C 2.024 178.877 176.870 -0.027 0.000 1.048 232 L CA 0.030 54.854 54.840 -0.028 0.000 0.859 232 L CB 0.134 42.185 42.059 -0.013 0.000 1.128 232 L HN 0.150 nan 8.230 nan 0.000 0.483 233 L N 1.223 122.432 121.223 -0.024 0.000 2.051 233 L HA -0.199 4.142 4.340 0.000 0.000 0.214 233 L C -0.428 176.425 176.870 -0.029 0.000 1.076 233 L CA 1.886 56.713 54.840 -0.022 0.000 0.758 233 L CB -1.771 40.276 42.059 -0.019 0.000 0.890 233 L HN 0.292 nan 8.230 nan 0.000 0.433 234 P HA -0.222 nan 4.420 nan 0.000 0.213 234 P C 1.711 178.985 177.300 -0.043 0.000 1.170 234 P CA 1.896 64.973 63.100 -0.037 0.000 0.902 234 P CB -0.075 31.600 31.700 -0.041 0.000 0.789 235 I N -1.453 119.089 120.570 -0.047 0.000 2.394 235 I HA -0.176 3.994 4.170 0.000 0.000 0.251 235 I C 2.595 178.672 176.117 -0.067 0.000 1.136 235 I CA 0.661 61.925 61.300 -0.060 0.000 1.425 235 I CB -0.797 37.173 38.000 -0.050 0.000 1.079 235 I HN -0.141 nan 8.210 nan 0.000 0.425 236 L N 0.837 122.033 121.223 -0.046 0.000 2.127 236 L HA -0.200 4.140 4.340 0.000 0.000 0.211 236 L C 2.506 179.353 176.870 -0.038 0.000 1.089 236 L CA 1.876 56.695 54.840 -0.036 0.000 0.757 236 L CB -0.605 41.441 42.059 -0.021 0.000 0.899 236 L HN 0.220 nan 8.230 nan 0.000 0.434 237 E N -1.064 119.113 120.200 -0.039 0.000 2.046 237 E HA -0.209 4.141 4.350 0.000 0.000 0.190 237 E C 2.063 178.633 176.600 -0.050 0.000 0.982 237 E CA 1.117 57.496 56.400 -0.035 0.000 0.800 237 E CB -0.129 29.553 29.700 -0.030 0.000 0.756 237 E HN 0.648 nan 8.360 nan 0.000 0.449 238 Q N 0.567 120.325 119.800 -0.070 0.000 2.077 238 Q HA -0.156 4.185 4.340 0.000 0.000 0.206 238 Q C 2.406 178.328 176.000 -0.130 0.000 0.989 238 Q CA 1.695 57.440 55.803 -0.097 0.000 0.853 238 Q CB -0.242 28.423 28.738 -0.122 0.000 0.907 238 Q HN 0.114 nan 8.270 nan 0.000 0.418 239 V N 1.055 120.872 119.914 -0.162 0.000 2.407 239 V HA -0.266 3.854 4.120 0.000 0.000 0.248 239 V C 2.312 178.383 176.094 -0.038 0.000 1.055 239 V CA 1.606 63.804 62.300 -0.171 0.000 1.049 239 V CB -1.121 30.615 31.823 -0.145 0.000 0.662 239 V HN 0.407 nan 8.190 nan 0.000 0.455 240 A N -0.413 122.391 122.820 -0.027 0.000 1.917 240 A HA -0.308 4.012 4.320 0.000 0.000 0.219 240 A C 2.142 179.731 177.584 0.008 0.000 1.182 240 A CA 2.007 54.044 52.037 -0.000 0.000 0.633 240 A CB -0.507 18.489 19.000 -0.006 0.000 0.819 240 A HN 0.633 nan 8.150 nan 0.000 0.448 241 Q N -0.919 118.878 119.800 -0.005 0.000 2.472 241 Q HA -0.035 4.305 4.340 0.000 0.000 0.208 241 Q C 1.460 177.473 176.000 0.021 0.000 0.958 241 Q CA 1.161 56.967 55.803 0.004 0.000 0.932 241 Q CB -0.148 28.586 28.738 -0.007 0.000 1.007 241 Q HN 0.672 nan 8.270 nan 0.000 0.508 242 T N -0.891 113.685 114.554 0.037 0.000 3.023 242 T HA 0.024 4.374 4.350 0.000 0.000 0.266 242 T C 1.398 176.162 174.700 0.107 0.000 1.093 242 T CA 0.893 63.051 62.100 0.096 0.000 1.129 242 T CB 0.059 69.042 68.868 0.192 0.000 0.899 242 T HN 0.591 nan 8.240 nan 0.000 0.491 243 G N 1.635 110.484 108.800 0.081 0.000 2.184 243 G HA2 -0.274 3.686 3.960 0.000 0.000 0.264 243 G HA3 -0.274 3.686 3.960 0.000 0.000 0.264 243 G C 0.144 175.090 174.900 0.077 0.000 0.975 243 G CA 0.297 45.435 45.100 0.064 0.000 0.642 243 G HN 0.474 nan 8.290 nan 0.000 0.536 244 K N 1.209 121.690 120.400 0.134 0.000 2.095 244 K HA 0.514 4.834 4.320 0.000 0.000 0.252 244 K C -2.076 174.606 176.600 0.136 0.000 0.977 244 K CA -1.671 54.692 56.287 0.127 0.000 0.900 244 K CB 1.741 34.340 32.500 0.164 0.000 1.060 244 K HN 0.096 nan 8.250 nan 0.000 0.449 245 P HA 0.199 nan 4.420 nan 0.000 0.276 245 P C -1.292 176.074 177.300 0.109 0.000 1.261 245 P CA -0.548 62.589 63.100 0.062 0.000 0.800 245 P CB 0.773 32.483 31.700 0.017 0.000 1.066 246 L N 1.482 122.746 121.223 0.069 0.000 2.436 246 L HA 0.536 4.876 4.340 0.000 0.000 0.268 246 L C -1.586 175.290 176.870 0.010 0.000 0.974 246 L CA -0.962 53.929 54.840 0.085 0.000 0.826 246 L CB 1.781 43.887 42.059 0.079 0.000 1.291 246 L HN 0.162 nan 8.230 nan 0.000 0.406 247 L N 6.180 127.424 121.223 0.035 0.000 2.294 247 L HA 0.633 4.973 4.340 0.000 0.000 0.283 247 L C -1.101 175.785 176.870 0.027 0.000 1.015 247 L CA -0.046 54.803 54.840 0.013 0.000 0.831 247 L CB 0.867 42.956 42.059 0.049 0.000 1.217 247 L HN 0.572 nan 8.230 nan 0.000 0.420 248 I N 6.232 126.798 120.570 -0.006 0.000 2.396 248 I HA 0.306 4.476 4.170 0.000 0.000 0.292 248 I C 0.099 176.251 176.117 0.059 0.000 0.999 248 I CA -0.179 61.132 61.300 0.018 0.000 1.310 248 I CB 1.292 39.289 38.000 -0.005 0.000 1.404 248 I HN 0.585 nan 8.210 nan 0.000 0.496 249 I N 6.127 126.734 120.570 0.062 0.000 2.953 249 I HA 0.299 4.469 4.170 0.000 0.000 0.325 249 I C 0.549 176.692 176.117 0.044 0.000 1.421 249 I CA -0.113 61.234 61.300 0.080 0.000 0.845 249 I CB 0.558 38.590 38.000 0.052 0.000 2.186 249 I HN 0.614 nan 8.210 nan 0.000 0.604 250 A N 1.567 124.419 122.820 0.053 0.000 2.267 250 A HA 0.248 4.568 4.320 0.000 0.000 0.271 250 A C 1.415 179.026 177.584 0.045 0.000 1.131 250 A CA -0.163 51.898 52.037 0.040 0.000 0.818 250 A CB 0.401 19.427 19.000 0.043 0.000 1.118 250 A HN 0.684 nan 8.150 nan 0.000 0.501 251 E N -0.917 119.304 120.200 0.035 0.000 2.347 251 E HA 0.022 4.372 4.350 0.000 0.000 0.196 251 E C -0.282 176.352 176.600 0.057 0.000 1.008 251 E CA 0.974 57.396 56.400 0.037 0.000 0.852 251 E CB 0.202 29.921 29.700 0.031 0.000 0.783 251 E HN 0.489 nan 8.360 nan 0.000 0.505 252 D N -0.714 119.723 120.400 0.061 0.000 2.751 252 D HA 0.128 4.768 4.640 0.000 0.000 0.236 252 D C -1.871 174.472 176.300 0.072 0.000 1.196 252 D CA -0.535 53.509 54.000 0.073 0.000 0.741 252 D CB 2.314 43.154 40.800 0.066 0.000 1.474 252 D HN -0.062 nan 8.370 nan 0.000 0.452 253 V N 3.632 123.600 119.914 0.090 0.000 2.409 253 V HA 0.470 4.590 4.120 0.000 0.000 0.290 253 V C 0.229 176.374 176.094 0.085 0.000 1.017 253 V CA -0.522 61.832 62.300 0.091 0.000 0.841 253 V CB 1.472 33.371 31.823 0.127 0.000 1.003 253 V HN 0.550 nan 8.190 nan 0.000 0.426 254 E N 3.292 123.527 120.200 0.059 0.000 2.447 254 E HA 0.816 5.166 4.350 0.000 0.000 0.258 254 E C 0.638 177.256 176.600 0.030 0.000 0.916 254 E CA -0.385 56.041 56.400 0.044 0.000 0.846 254 E CB 1.472 31.193 29.700 0.037 0.000 1.517 254 E HN 0.867 nan 8.360 nan 0.000 0.418 255 G N 0.965 109.776 108.800 0.017 0.000 2.632 255 G HA2 -0.444 3.516 3.960 0.000 0.000 0.322 255 G HA3 -0.444 3.516 3.960 0.000 0.000 0.322 255 G C 0.745 175.649 174.900 0.006 0.000 1.326 255 G CA 0.983 46.088 45.100 0.008 0.000 0.986 255 G HN 0.750 nan 8.290 nan 0.000 0.541 256 E N 0.272 120.475 120.200 0.005 0.000 2.049 256 E HA -0.134 4.216 4.350 0.000 0.000 0.198 256 E C 3.087 179.695 176.600 0.014 0.000 1.007 256 E CA 1.693 58.096 56.400 0.004 0.000 0.809 256 E CB -0.401 29.299 29.700 0.001 0.000 0.749 256 E HN 0.782 nan 8.360 nan 0.000 0.450 257 A N 1.535 124.367 122.820 0.021 0.000 1.870 257 A HA -0.256 4.064 4.320 0.000 0.000 0.219 257 A C 2.244 179.865 177.584 0.061 0.000 1.224 257 A CA 1.898 53.956 52.037 0.034 0.000 0.650 257 A CB -0.920 18.101 19.000 0.035 0.000 0.836 257 A HN 0.263 nan 8.150 nan 0.000 0.454 258 L N -0.558 120.707 121.223 0.070 0.000 2.083 258 L HA -0.049 4.291 4.340 0.000 0.000 0.209 258 L C 2.683 179.594 176.870 0.068 0.000 1.083 258 L CA 2.201 57.106 54.840 0.108 0.000 0.752 258 L CB -0.853 41.254 42.059 0.080 0.000 0.899 258 L HN 0.401 nan 8.230 nan 0.000 0.433 259 A N -1.593 121.236 122.820 0.015 0.000 1.877 259 A HA -0.190 4.131 4.320 0.000 0.000 0.216 259 A C 2.249 179.834 177.584 0.001 0.000 1.186 259 A CA 2.270 54.293 52.037 -0.024 0.000 0.620 259 A CB -1.178 17.804 19.000 -0.031 0.000 0.822 259 A HN 0.492 nan 8.150 nan 0.000 0.443 260 T N 0.689 115.258 114.554 0.024 0.000 2.674 260 T HA -0.110 4.240 4.350 0.000 0.000 0.265 260 T C 1.846 176.584 174.700 0.063 0.000 1.039 260 T CA 1.491 63.609 62.100 0.030 0.000 1.150 260 T CB -0.492 68.390 68.868 0.024 0.000 0.864 260 T HN 0.347 nan 8.240 nan 0.000 0.427 261 L N 0.821 122.105 121.223 0.102 0.000 2.043 261 L HA -0.148 4.192 4.340 0.000 0.000 0.212 261 L C 2.676 179.704 176.870 0.264 0.000 1.075 261 L CA 1.113 56.046 54.840 0.155 0.000 0.752 261 L CB -0.795 41.381 42.059 0.195 0.000 0.891 261 L HN 0.166 nan 8.230 nan 0.000 0.432 262 V N -1.051 119.025 119.914 0.270 0.000 2.358 262 V HA -0.213 3.907 4.120 0.000 0.000 0.246 262 V C 2.382 178.526 176.094 0.084 0.000 1.047 262 V CA 1.366 63.779 62.300 0.188 0.000 1.035 262 V CB -0.184 31.568 31.823 -0.118 0.000 0.658 262 V HN 0.191 nan 8.190 nan 0.000 0.452 263 V N 0.774 120.707 119.914 0.032 0.000 2.261 263 V HA -0.249 3.871 4.120 0.000 0.000 0.246 263 V C 2.299 178.417 176.094 0.039 0.000 1.047 263 V CA 2.228 64.537 62.300 0.015 0.000 1.015 263 V CB -0.873 30.949 31.823 -0.002 0.000 0.642 263 V HN 0.578 nan 8.190 nan 0.000 0.446 264 N N 0.324 119.053 118.700 0.048 0.000 2.289 264 N HA -0.185 4.555 4.740 0.000 0.000 0.184 264 N C 1.848 177.391 175.510 0.055 0.000 1.016 264 N CA 1.388 54.464 53.050 0.042 0.000 0.872 264 N CB -0.249 38.259 38.487 0.035 0.000 0.973 264 N HN 0.437 nan 8.380 nan 0.000 0.433 265 K N 1.881 122.335 120.400 0.090 0.000 2.001 265 K HA 0.021 4.341 4.320 0.000 0.000 0.208 265 K C 1.855 178.511 176.600 0.093 0.000 1.048 265 K CA 1.061 57.415 56.287 0.111 0.000 0.932 265 K CB -0.564 32.070 32.500 0.223 0.000 0.715 265 K HN 0.118 nan 8.250 nan 0.000 0.437 266 L N 0.087 121.367 121.223 0.096 0.000 2.478 266 L HA 0.100 4.440 4.340 0.000 0.000 0.223 266 L C 2.623 179.519 176.870 0.042 0.000 1.140 266 L CA 0.572 55.456 54.840 0.074 0.000 0.842 266 L CB -0.227 41.886 42.059 0.090 0.000 0.953 266 L HN 0.193 nan 8.230 nan 0.000 0.452 267 R N 0.017 120.540 120.500 0.038 0.000 2.105 267 R HA 0.058 4.399 4.340 0.000 0.000 0.214 267 R C 1.381 177.693 176.300 0.019 0.000 1.091 267 R CA 0.993 57.107 56.100 0.023 0.000 1.007 267 R CB 0.277 30.590 30.300 0.021 0.000 0.912 267 R HN 0.308 nan 8.270 nan 0.000 0.450 268 G N -1.138 107.677 108.800 0.025 0.000 2.192 268 G HA2 -0.190 3.770 3.960 0.000 0.000 0.193 268 G HA3 -0.190 3.770 3.960 0.000 0.000 0.193 268 G C 0.723 175.634 174.900 0.019 0.000 0.999 268 G CA 0.391 45.502 45.100 0.019 0.000 0.659 268 G HN 0.357 nan 8.290 nan 0.000 0.503 269 T N -0.177 114.390 114.554 0.020 0.000 2.812 269 T HA 0.301 4.651 4.350 0.000 0.000 0.264 269 T C 0.826 175.538 174.700 0.019 0.000 1.042 269 T CA 1.448 63.558 62.100 0.017 0.000 1.140 269 T CB 0.247 69.124 68.868 0.016 0.000 0.870 269 T HN 0.487 nan 8.240 nan 0.000 0.445 270 L N 1.421 122.658 121.223 0.023 0.000 2.543 270 L HA 0.368 4.708 4.340 0.000 0.000 0.265 270 L C -0.984 175.899 176.870 0.021 0.000 0.945 270 L CA -0.741 54.112 54.840 0.022 0.000 0.869 270 L CB 1.921 43.989 42.059 0.016 0.000 1.294 270 L HN 0.114 nan 8.230 nan 0.000 0.405 271 S N 4.557 120.268 115.700 0.018 0.000 2.400 271 S HA 0.623 5.093 4.470 0.000 0.000 0.295 271 S C -0.302 174.284 174.600 -0.023 0.000 1.113 271 S CA -0.474 57.732 58.200 0.010 0.000 1.064 271 S CB 0.669 63.878 63.200 0.014 0.000 0.990 271 S HN 0.505 nan 8.310 nan 0.000 0.502 272 V N -0.314 119.553 119.914 -0.078 0.000 3.156 272 V HA 1.065 5.185 4.120 0.000 0.000 0.311 272 V C -0.261 175.557 176.094 -0.460 0.000 1.208 272 V CA -0.985 61.197 62.300 -0.197 0.000 1.063 272 V CB 1.104 32.807 31.823 -0.200 0.000 1.098 272 V HN 1.394 nan 8.190 nan 0.000 0.452 273 A N 0.119 122.562 122.820 -0.628 0.000 2.518 273 A HA 0.905 5.226 4.320 0.000 0.000 0.295 273 A C -0.546 176.702 177.584 -0.560 0.000 1.052 273 A CA 0.021 51.497 52.037 -0.935 0.000 0.824 273 A CB 0.914 19.749 19.000 -0.274 0.000 1.325 273 A HN 2.349 nan 8.150 nan 0.000 0.394 274 A N 1.577 124.068 122.820 -0.549 0.000 2.305 274 A HA 0.806 5.126 4.320 0.000 0.000 0.322 274 A C -0.529 177.178 177.584 0.205 0.000 1.187 274 A CA -0.483 51.556 52.037 0.003 0.000 0.825 274 A CB 0.955 20.052 19.000 0.161 0.000 1.164 274 A HN 1.537 nan 8.150 nan 0.000 0.498 275 V N 2.827 122.843 119.914 0.170 0.000 2.789 275 V HA 0.307 4.427 4.120 0.000 0.000 0.311 275 V C -0.025 176.188 176.094 0.198 0.000 1.073 275 V CA -0.934 61.480 62.300 0.190 0.000 0.921 275 V CB 2.160 34.097 31.823 0.191 0.000 1.009 275 V HN 0.995 nan 8.190 nan 0.000 0.426 276 K N 2.014 122.519 120.400 0.174 0.000 2.219 276 K HA 0.590 4.910 4.320 0.000 0.000 0.258 276 K C 0.238 176.958 176.600 0.200 0.000 1.008 276 K CA -0.121 56.254 56.287 0.147 0.000 0.928 276 K CB 0.746 33.307 32.500 0.103 0.000 0.983 276 K HN 0.845 nan 8.250 nan 0.000 0.484 277 A N 3.760 126.632 122.820 0.086 0.000 2.440 277 A HA 0.201 4.521 4.320 0.000 0.000 0.251 277 A C -1.966 175.595 177.584 -0.038 0.000 1.089 277 A CA -1.191 50.846 52.037 -0.000 0.000 0.779 277 A CB -0.395 18.574 19.000 -0.052 0.000 1.022 277 A HN 0.450 nan 8.150 nan 0.000 0.492 278 P HA 0.286 nan 4.420 nan 0.000 0.270 278 P C 0.772 177.936 177.300 -0.227 0.000 1.223 278 P CA 1.366 64.455 63.100 -0.018 0.000 0.785 278 P CB 0.363 32.006 31.700 -0.096 0.000 0.923 279 G N 0.803 109.400 108.800 -0.337 0.000 2.801 279 G HA2 -0.154 3.806 3.960 0.000 0.000 0.244 279 G HA3 -0.154 3.806 3.960 0.000 0.000 0.244 279 G C -1.194 173.237 174.900 -0.781 0.000 1.385 279 G CA -0.393 44.468 45.100 -0.399 0.000 0.894 279 G HN 0.457 nan 8.290 nan 0.000 0.562 280 F N -0.102 119.890 119.950 0.069 0.000 2.581 280 F HA 0.661 5.188 4.527 0.000 0.000 0.311 280 F C 0.951 176.782 175.800 0.051 0.000 1.113 280 F CA 0.600 58.635 58.000 0.059 0.000 0.935 280 F CB 1.448 40.484 39.000 0.059 0.000 1.232 280 F HN 2.019 nan 8.300 nan 0.000 0.445 281 G N 2.185 111.104 108.800 0.200 0.000 2.539 281 G HA2 -0.272 3.688 3.960 0.000 0.000 0.256 281 G HA3 -0.272 3.688 3.960 0.000 0.000 0.256 281 G C 0.545 175.495 174.900 0.084 0.000 1.233 281 G CA 0.256 45.433 45.100 0.128 0.000 0.936 281 G HN 0.603 nan 8.290 nan 0.000 0.571 282 D N 0.217 120.661 120.400 0.072 0.000 2.133 282 D HA -0.135 4.505 4.640 0.000 0.000 0.195 282 D C 2.394 178.721 176.300 0.045 0.000 0.997 282 D CA 1.320 55.350 54.000 0.050 0.000 0.840 282 D CB -0.157 40.672 40.800 0.047 0.000 0.947 282 D HN 0.322 nan 8.370 nan 0.000 0.452 283 R N 0.972 121.513 120.500 0.067 0.000 2.139 283 R HA -0.120 4.220 4.340 0.000 0.000 0.243 283 R C 2.221 178.539 176.300 0.030 0.000 1.145 283 R CA 0.898 57.035 56.100 0.062 0.000 0.976 283 R CB -0.315 30.050 30.300 0.109 0.000 0.866 283 R HN 0.214 nan 8.270 nan 0.000 0.449 284 R N 0.658 121.169 120.500 0.019 0.000 2.057 284 R HA -0.094 4.246 4.340 0.000 0.000 0.229 284 R C 2.273 178.549 176.300 -0.040 0.000 1.136 284 R CA 1.810 57.891 56.100 -0.031 0.000 0.952 284 R CB -0.224 30.051 30.300 -0.041 0.000 0.848 284 R HN 0.010 nan 8.270 nan 0.000 0.430 285 K N 0.082 120.470 120.400 -0.021 0.000 2.103 285 K HA -0.225 4.095 4.320 0.000 0.000 0.207 285 K C 1.871 178.446 176.600 -0.041 0.000 1.048 285 K CA 1.913 58.182 56.287 -0.030 0.000 0.930 285 K CB -0.018 32.474 32.500 -0.012 0.000 0.716 285 K HN 0.069 nan 8.250 nan 0.000 0.444 286 E N 0.520 120.704 120.200 -0.026 0.000 2.110 286 E HA -0.135 4.215 4.350 0.000 0.000 0.193 286 E C 1.789 178.357 176.600 -0.053 0.000 0.988 286 E CA 1.545 57.927 56.400 -0.030 0.000 0.804 286 E CB 0.008 29.704 29.700 -0.007 0.000 0.745 286 E HN 0.355 nan 8.360 nan 0.000 0.458 287 M N -0.697 118.876 119.600 -0.045 0.000 2.349 287 M HA -0.014 4.466 4.480 0.000 0.000 0.266 287 M C 1.974 178.175 176.300 -0.166 0.000 1.076 287 M CA 0.670 55.939 55.300 -0.052 0.000 1.126 287 M CB -0.016 32.596 32.600 0.019 0.000 1.392 287 M HN 0.119 nan 8.290 nan 0.000 0.440 288 L N 0.102 121.235 121.223 -0.150 0.000 2.201 288 L HA -0.205 4.135 4.340 0.000 0.000 0.212 288 L C 2.277 179.043 176.870 -0.174 0.000 1.105 288 L CA 1.243 55.979 54.840 -0.174 0.000 0.775 288 L CB -0.373 41.615 42.059 -0.117 0.000 0.913 288 L HN 0.293 nan 8.230 nan 0.000 0.440 289 K N -0.487 119.822 120.400 -0.152 0.000 2.076 289 K HA -0.107 4.213 4.320 0.000 0.000 0.204 289 K C 1.623 178.098 176.600 -0.209 0.000 1.051 289 K CA 0.979 57.180 56.287 -0.142 0.000 0.949 289 K CB -0.099 32.341 32.500 -0.100 0.000 0.726 289 K HN 0.269 nan 8.250 nan 0.000 0.443 290 D N 1.257 121.484 120.400 -0.289 0.000 2.158 290 D HA -0.172 4.468 4.640 0.000 0.000 0.197 290 D C 1.908 177.847 176.300 -0.602 0.000 0.995 290 D CA 1.189 54.913 54.000 -0.460 0.000 0.846 290 D CB -0.018 40.386 40.800 -0.660 0.000 0.941 290 D HN 0.220 nan 8.370 nan 0.000 0.456 291 I N 1.249 121.485 120.570 -0.557 0.000 2.193 291 I HA -0.199 3.971 4.170 0.000 0.000 0.240 291 I C 2.727 178.714 176.117 -0.216 0.000 1.084 291 I CA 0.760 61.821 61.300 -0.399 0.000 1.365 291 I CB -0.355 37.469 38.000 -0.294 0.000 1.064 291 I HN -0.109 nan 8.210 nan 0.000 0.410 292 A N 1.081 123.798 122.820 -0.172 0.000 1.917 292 A HA -0.267 4.054 4.320 0.000 0.000 0.219 292 A C 2.537 180.063 177.584 -0.098 0.000 1.182 292 A CA 2.271 54.245 52.037 -0.105 0.000 0.633 292 A CB -0.936 18.010 19.000 -0.089 0.000 0.819 292 A HN 0.474 nan 8.150 nan 0.000 0.448 293 A N -0.650 122.094 122.820 -0.127 0.000 1.865 293 A HA -0.050 4.271 4.320 0.000 0.000 0.217 293 A C 2.144 179.677 177.584 -0.084 0.000 1.191 293 A CA 2.043 54.018 52.037 -0.102 0.000 0.623 293 A CB -1.004 17.926 19.000 -0.118 0.000 0.826 293 A HN 0.602 nan 8.150 nan 0.000 0.444 294 V N -0.303 119.546 119.914 -0.109 0.000 3.041 294 V HA -0.103 4.018 4.120 0.000 0.000 0.260 294 V C 2.308 178.380 176.094 -0.037 0.000 1.105 294 V CA 2.014 64.277 62.300 -0.061 0.000 1.125 294 V CB -0.959 30.831 31.823 -0.053 0.000 0.730 294 V HN 0.609 nan 8.190 nan 0.000 0.479 295 T N -0.442 114.084 114.554 -0.047 0.000 3.010 295 T HA 0.302 4.652 4.350 0.000 0.000 0.252 295 T C 1.518 176.210 174.700 -0.013 0.000 1.047 295 T CA 1.053 63.140 62.100 -0.022 0.000 1.140 295 T CB 0.251 69.108 68.868 -0.018 0.000 0.885 295 T HN 0.742 nan 8.240 nan 0.000 0.464 296 G N 1.097 109.884 108.800 -0.021 0.000 2.167 296 G HA2 0.087 4.047 3.960 0.000 0.000 0.194 296 G HA3 0.087 4.047 3.960 0.000 0.000 0.194 296 G C 0.184 175.086 174.900 0.002 0.000 1.027 296 G CA -0.318 44.776 45.100 -0.010 0.000 0.717 296 G HN 0.860 nan 8.290 nan 0.000 0.501 297 G N -1.543 107.252 108.800 -0.008 0.000 3.108 297 G HA2 0.894 4.855 3.960 0.000 0.000 0.268 297 G HA3 0.894 4.855 3.960 0.000 0.000 0.268 297 G C -0.604 174.282 174.900 -0.024 0.000 1.361 297 G CA 0.168 45.269 45.100 0.001 0.000 1.047 297 G HN 0.795 nan 8.290 nan 0.000 0.540 298 T N -0.307 114.234 114.554 -0.021 0.000 2.912 298 T HA 0.385 4.735 4.350 0.000 0.000 0.299 298 T C -0.372 174.315 174.700 -0.021 0.000 1.052 298 T CA -0.395 61.682 62.100 -0.038 0.000 0.996 298 T CB 1.911 70.740 68.868 -0.064 0.000 1.070 298 T HN 0.388 nan 8.240 nan 0.000 0.465 299 V N 3.760 123.656 119.914 -0.029 0.000 2.400 299 V HA 0.085 4.205 4.120 0.000 0.000 0.263 299 V C 0.822 176.934 176.094 0.031 0.000 1.026 299 V CA 0.004 62.298 62.300 -0.010 0.000 1.077 299 V CB -0.853 30.954 31.823 -0.027 0.000 1.054 299 V HN 0.776 nan 8.190 nan 0.000 0.477 300 I N 5.464 126.081 120.570 0.077 0.000 2.668 300 I HA 0.006 4.176 4.170 0.000 0.000 0.309 300 I C 0.947 177.148 176.117 0.140 0.000 1.195 300 I CA 0.416 61.827 61.300 0.185 0.000 1.919 300 I CB -0.355 37.766 38.000 0.202 0.000 1.551 300 I HN 0.716 nan 8.210 nan 0.000 0.908 301 S N 3.215 118.986 115.700 0.119 0.000 2.499 301 S HA 0.273 4.743 4.470 0.000 0.000 0.279 301 S C 0.976 175.637 174.600 0.100 0.000 1.219 301 S CA -0.877 57.371 58.200 0.079 0.000 1.062 301 S CB 1.815 65.042 63.200 0.044 0.000 0.978 301 S HN 0.378 nan 8.310 nan 0.000 0.489 302 E N 2.736 122.974 120.200 0.064 0.000 2.268 302 E HA -0.134 4.216 4.350 0.000 0.000 0.195 302 E C 1.425 178.057 176.600 0.052 0.000 0.995 302 E CA 0.918 57.349 56.400 0.051 0.000 0.836 302 E CB -0.177 29.535 29.700 0.020 0.000 0.763 302 E HN 0.851 nan 8.360 nan 0.000 0.491 303 E N 0.949 121.176 120.200 0.045 0.000 2.021 303 E HA -0.137 4.213 4.350 0.000 0.000 0.200 303 E C 1.520 178.144 176.600 0.040 0.000 1.015 303 E CA 0.828 57.248 56.400 0.035 0.000 0.824 303 E CB -0.215 29.500 29.700 0.026 0.000 0.762 303 E HN 0.223 nan 8.360 nan 0.000 0.454 304 L N 1.309 122.559 121.223 0.046 0.000 2.855 304 L HA 0.115 4.455 4.340 0.000 0.000 0.257 304 L C 0.581 177.495 176.870 0.074 0.000 1.206 304 L CA -0.186 54.678 54.840 0.041 0.000 1.042 304 L CB -1.423 40.648 42.059 0.020 0.000 1.321 304 L HN 0.192 nan 8.230 nan 0.000 0.417 305 G N 1.369 110.219 108.800 0.083 0.000 2.329 305 G HA2 -0.298 3.663 3.960 0.000 0.000 0.204 305 G HA3 -0.298 3.663 3.960 0.000 0.000 0.204 305 G C -0.787 174.242 174.900 0.214 0.000 0.435 305 G CA -0.141 45.021 45.100 0.104 0.000 0.977 305 G HN 0.327 nan 8.290 nan 0.000 0.366 306 F N 2.328 122.274 119.950 -0.007 0.000 2.775 306 F HA 0.443 4.970 4.527 0.000 0.000 0.339 306 F C -0.221 175.574 175.800 -0.008 0.000 1.159 306 F CA -1.320 56.675 58.000 -0.009 0.000 1.145 306 F CB 0.844 39.837 39.000 -0.011 0.000 1.408 306 F HN 0.434 nan 8.300 nan 0.000 0.597 307 K N 5.577 125.595 120.400 -0.638 0.000 2.202 307 K HA 0.380 4.700 4.320 0.000 0.000 0.264 307 K C 0.971 177.067 176.600 -0.840 0.000 1.010 307 K CA -0.507 55.446 56.287 -0.555 0.000 0.940 307 K CB 1.141 33.447 32.500 -0.324 0.000 0.983 307 K HN 0.733 nan 8.250 nan 0.000 0.475 308 L N 2.074 123.036 121.223 -0.435 0.000 2.027 308 L HA -0.205 4.135 4.340 0.000 0.000 0.206 308 L C 2.466 179.188 176.870 -0.246 0.000 1.074 308 L CA 1.142 55.799 54.840 -0.305 0.000 0.745 308 L CB -0.397 41.574 42.059 -0.146 0.000 0.898 308 L HN 0.767 nan 8.230 nan 0.000 0.433 309 E N 0.073 120.154 120.200 -0.199 0.000 2.171 309 E HA -0.252 4.098 4.350 0.000 0.000 0.197 309 E C 0.682 177.209 176.600 -0.121 0.000 0.997 309 E CA 1.365 57.687 56.400 -0.129 0.000 0.810 309 E CB -0.789 28.850 29.700 -0.102 0.000 0.738 309 E HN 0.541 nan 8.360 nan 0.000 0.467 310 N N 1.425 120.003 118.700 -0.204 0.000 2.375 310 N HA 0.212 4.952 4.740 0.000 0.000 0.220 310 N C -0.363 175.207 175.510 0.101 0.000 1.170 310 N CA 0.511 53.510 53.050 -0.085 0.000 0.833 310 N CB 0.583 39.019 38.487 -0.085 0.000 1.069 310 N HN 0.218 nan 8.380 nan 0.000 0.479 311 A N 0.265 123.122 122.820 0.062 0.000 2.290 311 A HA 0.501 4.821 4.320 0.000 0.000 0.310 311 A C 0.444 178.098 177.584 0.117 0.000 1.202 311 A CA -0.354 51.835 52.037 0.254 0.000 0.837 311 A CB 0.650 19.761 19.000 0.184 0.000 1.139 311 A HN 0.065 nan 8.150 nan 0.000 0.509 312 T N 2.400 117.021 114.554 0.112 0.000 2.910 312 T HA 0.215 4.565 4.350 0.000 0.000 0.293 312 T C 0.991 175.673 174.700 -0.030 0.000 1.015 312 T CA -0.212 61.903 62.100 0.024 0.000 1.094 312 T CB 0.757 69.634 68.868 0.015 0.000 0.968 312 T HN 0.571 nan 8.240 nan 0.000 0.521 313 L N 3.421 124.592 121.223 -0.087 0.000 2.869 313 L HA 0.090 4.430 4.340 0.000 0.000 0.259 313 L C 1.445 178.232 176.870 -0.138 0.000 1.162 313 L CA 0.863 55.584 54.840 -0.198 0.000 0.975 313 L CB -1.324 40.584 42.059 -0.252 0.000 1.217 313 L HN 0.775 nan 8.230 nan 0.000 0.418 314 S N -3.478 112.193 115.700 -0.047 0.000 2.651 314 S HA 0.117 4.587 4.470 0.000 0.000 0.259 314 S C 1.407 176.015 174.600 0.014 0.000 1.073 314 S CA -0.139 58.064 58.200 0.005 0.000 1.090 314 S CB -0.275 62.926 63.200 0.001 0.000 1.042 314 S HN 0.365 nan 8.310 nan 0.000 0.581 315 M N 2.573 122.175 119.600 0.003 0.000 2.492 315 M HA 0.276 4.756 4.480 0.000 0.000 0.262 315 M C 0.624 176.938 176.300 0.023 0.000 1.090 315 M CA 0.585 55.884 55.300 -0.002 0.000 1.110 315 M CB -0.427 32.175 32.600 0.004 0.000 1.407 315 M HN 0.423 nan 8.290 nan 0.000 0.470 316 L N -0.375 120.877 121.223 0.048 0.000 2.257 316 L HA 0.730 5.070 4.340 0.000 0.000 0.290 316 L C 0.323 177.279 176.870 0.144 0.000 1.044 316 L CA -0.854 54.038 54.840 0.086 0.000 0.810 316 L CB 0.385 42.499 42.059 0.093 0.000 1.193 316 L HN 0.023 nan 8.230 nan 0.000 0.425 317 G N 4.078 112.934 108.800 0.093 0.000 2.583 317 G HA2 0.491 4.451 3.960 0.000 0.000 0.275 317 G HA3 0.491 4.451 3.960 0.000 0.000 0.275 317 G C -0.345 174.611 174.900 0.093 0.000 1.342 317 G CA -0.626 44.520 45.100 0.077 0.000 1.030 317 G HN 1.059 nan 8.290 nan 0.000 0.520 318 R N -2.838 117.669 120.500 0.013 0.000 2.712 318 R HA 0.703 5.043 4.340 0.000 0.000 0.272 318 R C -1.319 174.938 176.300 -0.072 0.000 1.032 318 R CA -0.656 55.401 56.100 -0.071 0.000 0.874 318 R CB 0.997 31.143 30.300 -0.256 0.000 1.256 318 R HN 1.177 nan 8.270 nan 0.000 0.468 319 A N 0.472 123.238 122.820 -0.090 0.000 2.594 319 A HA 0.409 4.729 4.320 0.000 0.000 0.291 319 A C 0.041 177.583 177.584 -0.071 0.000 1.105 319 A CA -0.798 51.205 52.037 -0.056 0.000 0.694 319 A CB 1.837 20.829 19.000 -0.013 0.000 1.291 319 A HN 0.894 nan 8.150 nan 0.000 0.410 320 E N -0.208 119.964 120.200 -0.046 0.000 2.106 320 E HA -0.080 4.270 4.350 0.000 0.000 0.192 320 E C 0.643 177.222 176.600 -0.035 0.000 0.984 320 E CA 0.999 57.373 56.400 -0.044 0.000 0.806 320 E CB 0.201 29.885 29.700 -0.026 0.000 0.750 320 E HN 0.433 nan 8.360 nan 0.000 0.458 321 R N -0.006 120.482 120.500 -0.020 0.000 2.561 321 R HA 0.341 4.681 4.340 0.000 0.000 0.266 321 R C -2.050 174.253 176.300 0.006 0.000 1.091 321 R CA -0.315 55.779 56.100 -0.009 0.000 0.927 321 R CB 1.993 32.290 30.300 -0.005 0.000 1.240 321 R HN -0.138 nan 8.270 nan 0.000 0.449 322 V N 4.357 124.277 119.914 0.011 0.000 2.487 322 V HA 0.504 4.624 4.120 0.000 0.000 0.298 322 V C -0.572 175.539 176.094 0.029 0.000 1.028 322 V CA -0.714 61.603 62.300 0.029 0.000 0.860 322 V CB 1.775 33.620 31.823 0.038 0.000 0.991 322 V HN 0.671 nan 8.190 nan 0.000 0.427 323 R N 5.661 126.178 120.500 0.028 0.000 2.310 323 R HA 0.697 5.037 4.340 0.000 0.000 0.324 323 R C -1.390 174.924 176.300 0.024 0.000 0.955 323 R CA -0.443 55.673 56.100 0.027 0.000 0.830 323 R CB 0.983 31.292 30.300 0.014 0.000 1.154 323 R HN 0.703 nan 8.270 nan 0.000 0.458 324 I N 3.455 124.065 120.570 0.067 0.000 2.406 324 I HA 0.319 4.489 4.170 0.000 0.000 0.290 324 I C -0.051 176.159 176.117 0.156 0.000 0.999 324 I CA -0.691 60.663 61.300 0.089 0.000 1.124 324 I CB 2.247 40.352 38.000 0.175 0.000 1.289 324 I HN 0.554 nan 8.210 nan 0.000 0.441 325 T N 3.923 118.465 114.554 -0.020 0.000 2.950 325 T HA 0.202 4.552 4.350 0.000 0.000 0.288 325 T C 0.905 175.264 174.700 -0.569 0.000 1.035 325 T CA -0.665 61.370 62.100 -0.109 0.000 1.028 325 T CB 2.117 70.925 68.868 -0.100 0.000 1.109 325 T HN 0.604 nan 8.240 nan 0.000 0.514 326 K N 0.431 120.346 120.400 -0.807 0.000 2.442 326 K HA -0.078 4.242 4.320 0.000 0.000 0.198 326 K C 0.338 176.653 176.600 -0.474 0.000 1.044 326 K CA 1.379 57.042 56.287 -1.040 0.000 0.948 326 K CB 0.196 32.362 32.500 -0.557 0.000 0.762 326 K HN 0.428 nan 8.250 nan 0.000 0.472 327 D N -0.659 119.551 120.400 -0.318 0.000 2.498 327 D HA 0.040 4.680 4.640 0.000 0.000 0.223 327 D C -0.369 175.804 176.300 -0.211 0.000 1.125 327 D CA 0.146 54.023 54.000 -0.205 0.000 0.835 327 D CB 0.939 41.661 40.800 -0.131 0.000 1.086 327 D HN 0.217 nan 8.370 nan 0.000 0.510 328 E N 0.377 120.429 120.200 -0.247 0.000 2.335 328 E HA 0.304 4.654 4.350 0.000 0.000 0.280 328 E C -1.468 174.946 176.600 -0.310 0.000 0.918 328 E CA -0.323 55.911 56.400 -0.277 0.000 0.765 328 E CB 2.021 31.609 29.700 -0.187 0.000 1.218 328 E HN -0.275 nan 8.360 nan 0.000 0.425 329 T N 2.402 116.653 114.554 -0.504 0.000 2.823 329 T HA 0.520 4.870 4.350 0.000 0.000 0.279 329 T C -0.936 173.629 174.700 -0.225 0.000 0.998 329 T CA -0.435 61.414 62.100 -0.418 0.000 0.994 329 T CB 1.563 70.007 68.868 -0.708 0.000 0.960 329 T HN 0.371 nan 8.240 nan 0.000 0.448 330 T N 3.329 117.848 114.554 -0.057 0.000 2.881 330 T HA 0.581 4.931 4.350 0.000 0.000 0.290 330 T C -0.385 174.356 174.700 0.068 0.000 1.000 330 T CA -0.564 61.544 62.100 0.013 0.000 0.978 330 T CB 0.901 69.759 68.868 -0.016 0.000 0.997 330 T HN 0.439 nan 8.240 nan 0.000 0.443 331 I N 2.965 123.602 120.570 0.111 0.000 2.390 331 I HA 0.414 4.584 4.170 0.000 0.000 0.283 331 I C -0.609 175.552 176.117 0.072 0.000 1.016 331 I CA -0.937 60.426 61.300 0.105 0.000 1.151 331 I CB 1.441 39.532 38.000 0.152 0.000 1.293 331 I HN 0.270 nan 8.210 nan 0.000 0.458 332 V N 5.045 124.982 119.914 0.039 0.000 2.435 332 V HA 0.655 4.775 4.120 0.000 0.000 0.290 332 V C 0.769 176.871 176.094 0.013 0.000 1.030 332 V CA -0.196 62.116 62.300 0.020 0.000 0.881 332 V CB 1.360 33.185 31.823 0.003 0.000 0.983 332 V HN 1.025 nan 8.190 nan 0.000 0.445 333 G N 3.634 112.442 108.800 0.014 0.000 2.325 333 G HA2 -0.095 3.865 3.960 0.000 0.000 0.248 333 G HA3 -0.095 3.865 3.960 0.000 0.000 0.248 333 G C 0.385 175.288 174.900 0.004 0.000 1.108 333 G CA -0.348 44.755 45.100 0.006 0.000 0.881 333 G HN 1.375 nan 8.290 nan 0.000 0.494 334 G N -0.313 108.497 108.800 0.018 0.000 2.313 334 G HA2 0.428 4.389 3.960 0.000 0.000 0.250 334 G HA3 0.428 4.389 3.960 0.000 0.000 0.250 334 G C 0.614 175.514 174.900 0.001 0.000 1.281 334 G CA -0.132 44.975 45.100 0.013 0.000 0.917 334 G HN 0.484 nan 8.290 nan 0.000 0.501 335 K N 2.380 122.774 120.400 -0.010 0.000 2.576 335 K HA 0.183 4.503 4.320 0.000 0.000 0.209 335 K C 1.318 177.912 176.600 -0.010 0.000 1.049 335 K CA -0.257 56.023 56.287 -0.012 0.000 1.140 335 K CB 0.958 33.443 32.500 -0.024 0.000 0.871 335 K HN 0.538 nan 8.250 nan 0.000 0.479 336 G N 1.116 109.909 108.800 -0.012 0.000 2.599 336 G HA2 0.082 4.042 3.960 0.000 0.000 0.264 336 G HA3 0.082 4.042 3.960 0.000 0.000 0.264 336 G C -0.552 174.340 174.900 -0.013 0.000 1.200 336 G CA -0.601 44.489 45.100 -0.016 0.000 0.896 336 G HN 0.140 nan 8.290 nan 0.000 0.536 337 K N 0.643 121.033 120.400 -0.016 0.000 2.412 337 K HA 0.022 4.342 4.320 0.000 0.000 0.284 337 K C 1.310 177.902 176.600 -0.013 0.000 1.046 337 K CA -0.151 56.128 56.287 -0.013 0.000 0.999 337 K CB 1.364 33.855 32.500 -0.015 0.000 0.941 337 K HN 0.626 nan 8.250 nan 0.000 0.474 338 K N 3.499 123.894 120.400 -0.008 0.000 2.293 338 K HA -0.263 4.057 4.320 0.000 0.000 0.204 338 K C 0.607 177.202 176.600 -0.009 0.000 1.045 338 K CA 1.709 57.993 56.287 -0.005 0.000 0.933 338 K CB 0.215 32.714 32.500 -0.002 0.000 0.736 338 K HN 0.562 nan 8.250 nan 0.000 0.463 339 E N 0.463 120.656 120.200 -0.012 0.000 2.021 339 E HA -0.143 4.207 4.350 0.000 0.000 0.189 339 E C 1.745 178.333 176.600 -0.019 0.000 0.980 339 E CA 1.149 57.541 56.400 -0.014 0.000 0.803 339 E CB -0.091 29.600 29.700 -0.014 0.000 0.766 339 E HN 0.351 nan 8.360 nan 0.000 0.449 340 D N 1.138 121.524 120.400 -0.024 0.000 2.158 340 D HA -0.191 4.449 4.640 0.000 0.000 0.197 340 D C 2.081 178.359 176.300 -0.037 0.000 0.995 340 D CA 1.053 55.033 54.000 -0.033 0.000 0.846 340 D CB -0.211 40.566 40.800 -0.039 0.000 0.941 340 D HN 0.198 nan 8.370 nan 0.000 0.456 341 I N 1.220 121.772 120.570 -0.031 0.000 2.113 341 I HA -0.250 3.920 4.170 0.000 0.000 0.238 341 I C 2.270 178.376 176.117 -0.018 0.000 1.070 341 I CA 1.259 62.542 61.300 -0.029 0.000 1.332 341 I CB -0.301 37.691 38.000 -0.014 0.000 1.044 341 I HN -0.069 nan 8.210 nan 0.000 0.402 342 E N 0.837 121.031 120.200 -0.011 0.000 2.331 342 E HA -0.198 4.152 4.350 0.000 0.000 0.199 342 E C 2.162 178.755 176.600 -0.011 0.000 1.008 342 E CA 0.958 57.354 56.400 -0.007 0.000 0.843 342 E CB -0.155 29.542 29.700 -0.005 0.000 0.761 342 E HN 0.529 nan 8.360 nan 0.000 0.507 343 A N 1.555 124.364 122.820 -0.018 0.000 1.898 343 A HA -0.172 4.148 4.320 0.000 0.000 0.216 343 A C 2.023 179.595 177.584 -0.021 0.000 1.181 343 A CA 1.044 53.069 52.037 -0.020 0.000 0.620 343 A CB -0.107 18.877 19.000 -0.026 0.000 0.819 343 A HN 0.019 nan 8.150 nan 0.000 0.442 344 R N 0.054 120.537 120.500 -0.028 0.000 2.057 344 R HA 0.032 4.372 4.340 0.000 0.000 0.229 344 R C 2.025 178.318 176.300 -0.012 0.000 1.136 344 R CA 1.347 57.429 56.100 -0.029 0.000 0.952 344 R CB -1.342 28.929 30.300 -0.048 0.000 0.848 344 R HN 0.632 nan 8.270 nan 0.000 0.430 345 I N 1.847 122.414 120.570 -0.005 0.000 2.143 345 I HA -0.372 3.798 4.170 0.000 0.000 0.245 345 I C 1.868 177.986 176.117 0.003 0.000 1.068 345 I CA 1.570 62.873 61.300 0.006 0.000 1.326 345 I CB -0.455 37.551 38.000 0.009 0.000 1.028 345 I HN 0.200 nan 8.210 nan 0.000 0.412 346 N N 0.930 119.629 118.700 -0.002 0.000 2.173 346 N HA -0.069 4.671 4.740 0.000 0.000 0.184 346 N C 1.962 177.469 175.510 -0.004 0.000 1.025 346 N CA 1.572 54.620 53.050 -0.003 0.000 0.852 346 N CB -0.646 37.838 38.487 -0.005 0.000 0.998 346 N HN 0.412 nan 8.380 nan 0.000 0.427 347 G N 1.272 110.068 108.800 -0.007 0.000 2.501 347 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 347 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 347 G C 1.536 176.433 174.900 -0.005 0.000 1.114 347 G CA 0.125 45.221 45.100 -0.008 0.000 0.757 347 G HN 0.279 nan 8.290 nan 0.000 0.559 348 I N -0.603 119.966 120.570 -0.003 0.000 2.480 348 I HA 0.035 4.205 4.170 0.000 0.000 0.251 348 I C 2.571 178.689 176.117 0.001 0.000 1.124 348 I CA 0.686 61.986 61.300 0.000 0.000 1.444 348 I CB 0.073 38.077 38.000 0.006 0.000 1.098 348 I HN 0.086 nan 8.210 nan 0.000 0.428 349 K N 0.614 121.015 120.400 0.001 0.000 2.097 349 K HA -0.143 4.177 4.320 0.000 0.000 0.205 349 K C 2.006 178.606 176.600 0.000 0.000 1.050 349 K CA 1.096 57.383 56.287 0.001 0.000 0.938 349 K CB -0.020 32.481 32.500 0.001 0.000 0.718 349 K HN 0.275 nan 8.250 nan 0.000 0.442 350 K N 1.207 121.607 120.400 -0.001 0.000 2.026 350 K HA -0.189 4.131 4.320 0.000 0.000 0.208 350 K C 2.130 178.730 176.600 0.000 0.000 1.048 350 K CA 1.397 57.684 56.287 -0.000 0.000 0.929 350 K CB -0.043 32.456 32.500 -0.002 0.000 0.713 350 K HN 0.210 nan 8.250 nan 0.000 0.439 351 E N 0.940 121.140 120.200 0.000 0.000 2.338 351 E HA -0.161 4.189 4.350 0.000 0.000 0.197 351 E C 1.765 178.366 176.600 0.001 0.000 1.007 351 E CA 0.299 56.700 56.400 0.001 0.000 0.849 351 E CB 0.150 29.850 29.700 0.001 0.000 0.774 351 E HN 0.078 nan 8.360 nan 0.000 0.506 352 L N 1.077 122.300 121.223 0.000 0.000 2.240 352 L HA -0.037 4.303 4.340 0.000 0.000 0.211 352 L C 1.550 178.421 176.870 0.001 0.000 1.106 352 L CA 1.594 56.433 54.840 -0.001 0.000 0.793 352 L CB 0.017 42.075 42.059 -0.002 0.000 0.927 352 L HN 0.083 nan 8.230 nan 0.000 0.446 353 E N -1.868 118.333 120.200 0.002 0.000 2.230 353 E HA -0.063 4.287 4.350 0.000 0.000 0.192 353 E C 1.564 178.167 176.600 0.005 0.000 0.987 353 E CA 1.143 57.545 56.400 0.003 0.000 0.841 353 E CB 0.071 29.773 29.700 0.002 0.000 0.783 353 E HN 0.393 nan 8.360 nan 0.000 0.481 354 T N 0.523 115.080 114.554 0.005 0.000 3.088 354 T HA 0.010 4.360 4.350 0.000 0.000 0.259 354 T C 0.772 175.477 174.700 0.009 0.000 1.122 354 T CA 0.386 62.490 62.100 0.007 0.000 1.095 354 T CB 0.146 69.018 68.868 0.006 0.000 0.930 354 T HN 0.031 nan 8.240 nan 0.000 0.508 355 T N 3.169 117.728 114.554 0.009 0.000 2.919 355 T HA 0.130 4.481 4.350 0.000 0.000 0.302 355 T C 0.858 175.566 174.700 0.014 0.000 1.031 355 T CA -0.358 61.749 62.100 0.012 0.000 1.127 355 T CB 0.763 69.635 68.868 0.006 0.000 0.952 355 T HN 0.409 nan 8.240 nan 0.000 0.540 356 D N 0.070 120.482 120.400 0.021 0.000 2.461 356 D HA -0.007 4.633 4.640 0.000 0.000 0.266 356 D C 0.683 177.002 176.300 0.031 0.000 1.085 356 D CA -0.094 53.919 54.000 0.023 0.000 0.887 356 D CB -0.140 40.673 40.800 0.021 0.000 1.309 356 D HN 0.508 nan 8.370 nan 0.000 0.498 357 S N 0.999 116.724 115.700 0.042 0.000 2.455 357 S HA 0.149 4.619 4.470 0.000 0.000 0.278 357 S C 0.930 175.572 174.600 0.070 0.000 1.216 357 S CA -0.512 57.727 58.200 0.065 0.000 1.055 357 S CB 1.648 64.902 63.200 0.090 0.000 0.939 357 S HN 0.061 nan 8.310 nan 0.000 0.494 358 E N 1.615 121.857 120.200 0.071 0.000 2.147 358 E HA -0.267 4.083 4.350 0.000 0.000 0.199 358 E C 1.148 177.797 176.600 0.083 0.000 1.005 358 E CA 1.810 58.249 56.400 0.065 0.000 0.810 358 E CB -0.358 29.381 29.700 0.066 0.000 0.736 358 E HN 0.933 nan 8.360 nan 0.000 0.460 359 Y N 1.126 121.435 120.300 0.015 0.000 2.145 359 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 359 Y C 2.314 178.228 175.900 0.024 0.000 1.145 359 Y CA 1.385 59.496 58.100 0.018 0.000 1.148 359 Y CB -0.582 37.888 38.460 0.017 0.000 0.981 359 Y HN -0.007 nan 8.280 nan 0.000 0.507 360 A N 0.582 123.364 122.820 -0.063 0.000 1.940 360 A HA -0.219 4.101 4.320 0.000 0.000 0.219 360 A C 2.312 179.812 177.584 -0.140 0.000 1.176 360 A CA 1.881 53.841 52.037 -0.129 0.000 0.631 360 A CB -0.653 18.351 19.000 0.007 0.000 0.814 360 A HN 0.558 nan 8.150 nan 0.000 0.446 361 R N -0.337 120.114 120.500 -0.081 0.000 2.080 361 R HA -0.151 4.189 4.340 0.000 0.000 0.236 361 R C 2.161 178.409 176.300 -0.087 0.000 1.137 361 R CA 1.745 57.810 56.100 -0.059 0.000 0.943 361 R CB -0.423 29.863 30.300 -0.023 0.000 0.846 361 R HN 0.682 nan 8.270 nan 0.000 0.431 362 E N 0.787 120.918 120.200 -0.114 0.000 2.160 362 E HA -0.230 4.120 4.350 0.000 0.000 0.195 362 E C 1.888 178.400 176.600 -0.147 0.000 0.991 362 E CA 1.529 57.863 56.400 -0.110 0.000 0.810 362 E CB -0.009 29.631 29.700 -0.099 0.000 0.742 362 E HN 0.463 nan 8.360 nan 0.000 0.466 363 K N 0.514 120.764 120.400 -0.250 0.000 2.031 363 K HA -0.100 4.220 4.320 0.000 0.000 0.205 363 K C 2.064 178.607 176.600 -0.094 0.000 1.049 363 K CA 0.899 57.064 56.287 -0.203 0.000 0.939 363 K CB -0.268 32.058 32.500 -0.289 0.000 0.717 363 K HN -0.027 nan 8.250 nan 0.000 0.438 364 L N 1.970 123.145 121.223 -0.079 0.000 2.131 364 L HA -0.158 4.182 4.340 0.000 0.000 0.210 364 L C 2.610 179.469 176.870 -0.019 0.000 1.092 364 L CA 1.496 56.318 54.840 -0.031 0.000 0.759 364 L CB -0.607 41.437 42.059 -0.025 0.000 0.903 364 L HN 0.192 nan 8.230 nan 0.000 0.435 365 Q N 0.181 119.961 119.800 -0.033 0.000 2.077 365 Q HA -0.260 4.080 4.340 0.000 0.000 0.206 365 Q C 2.140 178.132 176.000 -0.012 0.000 0.989 365 Q CA 2.150 57.941 55.803 -0.020 0.000 0.853 365 Q CB -0.430 28.291 28.738 -0.028 0.000 0.907 365 Q HN 0.783 nan 8.270 nan 0.000 0.418 366 E N 0.164 120.350 120.200 -0.023 0.000 2.072 366 E HA -0.140 4.210 4.350 0.000 0.000 0.191 366 E C 2.073 178.670 176.600 -0.006 0.000 0.985 366 E CA 0.690 57.076 56.400 -0.022 0.000 0.801 366 E CB -0.325 29.353 29.700 -0.036 0.000 0.750 366 E HN 0.202 nan 8.360 nan 0.000 0.452 367 R N 0.243 120.756 120.500 0.023 0.000 2.081 367 R HA -0.105 4.235 4.340 0.000 0.000 0.235 367 R C 2.497 178.861 176.300 0.106 0.000 1.131 367 R CA 1.306 57.467 56.100 0.102 0.000 0.960 367 R CB -0.481 29.890 30.300 0.118 0.000 0.856 367 R HN 0.188 nan 8.270 nan 0.000 0.436 368 L N 0.682 121.938 121.223 0.055 0.000 2.042 368 L HA -0.120 4.220 4.340 0.000 0.000 0.210 368 L C 2.104 179.002 176.870 0.046 0.000 1.076 368 L CA 2.057 56.924 54.840 0.045 0.000 0.749 368 L CB -0.566 41.507 42.059 0.022 0.000 0.893 368 L HN 0.137 nan 8.230 nan 0.000 0.432 369 A N -1.423 121.416 122.820 0.032 0.000 2.119 369 A HA -0.091 4.229 4.320 0.000 0.000 0.216 369 A C 2.238 179.844 177.584 0.036 0.000 1.152 369 A CA 1.125 53.179 52.037 0.028 0.000 0.708 369 A CB -0.345 18.661 19.000 0.011 0.000 0.805 369 A HN 0.495 nan 8.150 nan 0.000 0.460 370 K N -0.246 120.179 120.400 0.042 0.000 2.021 370 K HA 0.066 4.386 4.320 0.000 0.000 0.205 370 K C 1.785 178.469 176.600 0.139 0.000 1.047 370 K CA 1.179 57.493 56.287 0.044 0.000 0.943 370 K CB -0.358 32.104 32.500 -0.063 0.000 0.725 370 K HN 0.407 nan 8.250 nan 0.000 0.439 371 L N 1.350 122.687 121.223 0.190 0.000 1.976 371 L HA -0.122 4.219 4.340 0.000 0.000 0.209 371 L C 1.433 178.360 176.870 0.095 0.000 1.071 371 L CA 0.701 55.632 54.840 0.151 0.000 0.746 371 L CB -0.633 41.491 42.059 0.108 0.000 0.890 371 L HN 0.136 nan 8.230 nan 0.000 0.432 372 A N -0.658 122.206 122.820 0.074 0.000 2.386 372 A HA 0.399 4.719 4.320 0.000 0.000 0.246 372 A C 1.421 179.049 177.584 0.073 0.000 1.089 372 A CA 0.395 52.467 52.037 0.059 0.000 0.790 372 A CB -0.111 18.915 19.000 0.044 0.000 1.042 372 A HN 0.600 nan 8.150 nan 0.000 0.497 373 G N -0.343 108.505 108.800 0.081 0.000 2.609 373 G HA2 0.058 4.019 3.960 0.000 0.000 0.235 373 G HA3 0.058 4.019 3.960 0.000 0.000 0.235 373 G C 1.816 176.809 174.900 0.154 0.000 1.177 373 G CA 1.303 46.475 45.100 0.119 0.000 0.707 373 G HN 3.022 nan 8.290 nan 0.000 0.513 374 G N -1.739 107.127 108.800 0.110 0.000 2.509 374 G HA2 0.083 4.043 3.960 0.000 0.000 0.256 374 G HA3 0.083 4.043 3.960 0.000 0.000 0.256 374 G C 0.078 175.013 174.900 0.057 0.000 1.152 374 G CA 1.021 46.181 45.100 0.101 0.000 0.951 374 G HN 1.760 nan 8.290 nan 0.000 0.559 375 V N 1.426 121.352 119.914 0.021 0.000 2.454 375 V HA 0.654 4.774 4.120 0.000 0.000 0.267 375 V C 0.709 176.701 176.094 -0.170 0.000 0.993 375 V CA 0.070 62.340 62.300 -0.048 0.000 0.836 375 V CB 0.681 32.496 31.823 -0.014 0.000 1.055 375 V HN 2.002 nan 8.190 nan 0.000 0.452 376 A N 4.487 127.114 122.820 -0.320 0.000 2.537 376 A HA 0.491 4.811 4.320 0.000 0.000 0.260 376 A C -0.056 177.308 177.584 -0.366 0.000 1.082 376 A CA 0.396 52.044 52.037 -0.648 0.000 0.765 376 A CB 0.095 18.667 19.000 -0.714 0.000 1.019 376 A HN 0.626 nan 8.150 nan 0.000 0.507 377 V N 4.395 124.119 119.914 -0.317 0.000 2.581 377 V HA 0.381 4.501 4.120 0.000 0.000 0.303 377 V C 0.118 176.127 176.094 -0.142 0.000 1.041 377 V CA -0.350 61.850 62.300 -0.167 0.000 0.907 377 V CB 1.819 33.584 31.823 -0.095 0.000 0.994 377 V HN 0.717 nan 8.190 nan 0.000 0.442 378 I N 5.063 125.577 120.570 -0.093 0.000 2.503 378 I HA 0.363 4.533 4.170 0.000 0.000 0.277 378 I C 0.137 176.242 176.117 -0.020 0.000 1.078 378 I CA -0.627 60.630 61.300 -0.071 0.000 1.184 378 I CB 0.570 38.518 38.000 -0.087 0.000 1.353 378 I HN 0.464 nan 8.210 nan 0.000 0.490 379 R N 4.035 124.528 120.500 -0.012 0.000 2.446 379 R HA 0.160 4.500 4.340 0.000 0.000 0.314 379 R C -0.460 175.866 176.300 0.043 0.000 1.003 379 R CA -0.127 55.982 56.100 0.015 0.000 1.018 379 R CB 0.622 30.929 30.300 0.012 0.000 0.945 379 R HN 0.242 nan 8.270 nan 0.000 0.419 380 V N 3.150 123.113 119.914 0.081 0.000 2.406 380 V HA 0.296 4.416 4.120 0.000 0.000 0.272 380 V C 1.059 177.218 176.094 0.109 0.000 1.043 380 V CA -0.586 61.804 62.300 0.149 0.000 0.915 380 V CB 1.468 33.416 31.823 0.209 0.000 0.988 380 V HN 0.840 nan 8.190 nan 0.000 0.466 381 G N 3.306 112.177 108.800 0.117 0.000 2.356 381 G HA2 0.716 4.676 3.960 0.000 0.000 0.298 381 G HA3 0.716 4.676 3.960 0.000 0.000 0.298 381 G C -0.185 174.759 174.900 0.073 0.000 1.145 381 G CA 0.405 45.551 45.100 0.077 0.000 0.850 381 G HN 1.084 nan 8.290 nan 0.000 0.487 382 A N 0.935 123.779 122.820 0.041 0.000 2.701 382 A HA 0.935 5.256 4.320 0.000 0.000 0.290 382 A C 0.536 178.129 177.584 0.015 0.000 1.267 382 A CA 0.347 52.397 52.037 0.023 0.000 0.709 382 A CB 0.725 19.728 19.000 0.005 0.000 1.352 382 A HN 1.808 nan 8.150 nan 0.000 0.519 383 A N -1.896 120.927 122.820 0.006 0.000 2.167 383 A HA 0.532 4.853 4.320 0.000 0.000 0.184 383 A C 0.561 178.144 177.584 -0.001 0.000 1.675 383 A CA 1.310 53.349 52.037 0.004 0.000 1.215 383 A CB 0.050 19.052 19.000 0.004 0.000 1.427 383 A HN 0.824 nan 8.150 nan 0.000 0.457 384 T N -0.805 113.746 114.554 -0.006 0.000 2.924 384 T HA 0.348 4.698 4.350 0.000 0.000 0.291 384 T C 0.618 175.310 174.700 -0.012 0.000 1.045 384 T CA -0.219 61.875 62.100 -0.010 0.000 1.015 384 T CB 2.260 71.120 68.868 -0.013 0.000 1.103 384 T HN 0.302 nan 8.240 nan 0.000 0.496 385 E N 0.611 120.803 120.200 -0.013 0.000 2.204 385 E HA -0.120 4.230 4.350 0.000 0.000 0.194 385 E C 1.331 177.918 176.600 -0.022 0.000 0.989 385 E CA 1.181 57.572 56.400 -0.014 0.000 0.824 385 E CB 0.129 29.821 29.700 -0.013 0.000 0.756 385 E HN 0.645 nan 8.360 nan 0.000 0.477 386 T N 0.444 114.984 114.554 -0.024 0.000 2.668 386 T HA -0.169 4.181 4.350 0.000 0.000 0.258 386 T C 1.675 176.351 174.700 -0.040 0.000 1.051 386 T CA 1.195 63.276 62.100 -0.032 0.000 1.155 386 T CB -0.388 68.463 68.868 -0.029 0.000 0.864 386 T HN 0.286 nan 8.240 nan 0.000 0.413 387 E N 0.544 120.722 120.200 -0.036 0.000 2.187 387 E HA -0.211 4.139 4.350 0.000 0.000 0.199 387 E C 2.073 178.636 176.600 -0.061 0.000 1.004 387 E CA 0.942 57.314 56.400 -0.046 0.000 0.813 387 E CB -0.176 29.505 29.700 -0.031 0.000 0.736 387 E HN 0.270 nan 8.360 nan 0.000 0.468 388 L N 1.219 122.415 121.223 -0.044 0.000 2.007 388 L HA -0.133 4.207 4.340 0.000 0.000 0.205 388 L C 2.125 178.962 176.870 -0.056 0.000 1.073 388 L CA 1.873 56.687 54.840 -0.043 0.000 0.744 388 L CB -0.325 41.723 42.059 -0.017 0.000 0.898 388 L HN -0.053 nan 8.230 nan 0.000 0.435 389 K N -0.553 119.821 120.400 -0.043 0.000 2.127 389 K HA -0.266 4.054 4.320 0.000 0.000 0.208 389 K C 2.090 178.661 176.600 -0.049 0.000 1.047 389 K CA 1.781 58.045 56.287 -0.039 0.000 0.927 389 K CB -0.292 32.180 32.500 -0.046 0.000 0.716 389 K HN 0.470 nan 8.250 nan 0.000 0.450 390 E N 1.509 121.662 120.200 -0.078 0.000 2.015 390 E HA -0.170 4.180 4.350 0.000 0.000 0.191 390 E C 1.806 178.298 176.600 -0.180 0.000 0.991 390 E CA 1.296 57.639 56.400 -0.095 0.000 0.802 390 E CB 0.152 29.794 29.700 -0.097 0.000 0.759 390 E HN 0.220 nan 8.360 nan 0.000 0.447 391 K N 0.647 120.866 120.400 -0.303 0.000 2.063 391 K HA -0.199 4.121 4.320 0.000 0.000 0.208 391 K C 2.244 178.479 176.600 -0.608 0.000 1.048 391 K CA 1.442 57.298 56.287 -0.718 0.000 0.928 391 K CB -0.184 31.922 32.500 -0.656 0.000 0.713 391 K HN -0.094 nan 8.250 nan 0.000 0.442 392 K N 1.134 121.403 120.400 -0.218 0.000 2.001 392 K HA -0.256 4.064 4.320 0.000 0.000 0.214 392 K C 2.011 178.604 176.600 -0.011 0.000 1.050 392 K CA 2.068 58.327 56.287 -0.047 0.000 0.934 392 K CB -0.679 31.823 32.500 0.002 0.000 0.718 392 K HN 0.208 nan 8.250 nan 0.000 0.443 393 H N -0.069 118.940 119.070 -0.102 0.000 2.267 393 H HA -0.038 4.518 4.556 0.000 0.000 0.297 393 H C 2.226 177.514 175.328 -0.066 0.000 1.080 393 H CA 2.594 58.602 56.048 -0.067 0.000 1.278 393 H CB -0.184 29.536 29.762 -0.070 0.000 1.365 393 H HN 0.278 nan 8.280 nan 0.000 0.489 394 R N -0.478 119.974 120.500 -0.081 0.000 2.115 394 R HA -0.198 4.142 4.340 0.000 0.000 0.239 394 R C 2.422 178.720 176.300 -0.003 0.000 1.133 394 R CA 2.381 58.413 56.100 -0.113 0.000 0.935 394 R CB -0.633 29.548 30.300 -0.197 0.000 0.853 394 R HN 0.421 nan 8.270 nan 0.000 0.433 395 F N 0.117 120.042 119.950 -0.042 0.000 2.134 395 F HA -0.201 4.326 4.527 0.000 0.000 0.299 395 F C 2.632 178.389 175.800 -0.072 0.000 1.097 395 F CA 0.997 58.969 58.000 -0.047 0.000 1.264 395 F CB -0.232 38.751 39.000 -0.030 0.000 1.001 395 F HN 0.325 nan 8.300 nan 0.000 0.479 396 E N 0.724 120.979 120.200 0.091 0.000 2.051 396 E HA -0.229 4.121 4.350 0.000 0.000 0.192 396 E C 1.690 178.251 176.600 -0.064 0.000 0.991 396 E CA 1.608 58.005 56.400 -0.005 0.000 0.799 396 E CB -0.009 29.665 29.700 -0.045 0.000 0.748 396 E HN 0.300 nan 8.360 nan 0.000 0.449 397 D N 0.152 120.464 120.400 -0.146 0.000 2.084 397 D HA -0.157 4.483 4.640 0.000 0.000 0.194 397 D C 1.901 178.166 176.300 -0.059 0.000 0.990 397 D CA 1.331 55.242 54.000 -0.147 0.000 0.826 397 D CB -0.454 40.212 40.800 -0.225 0.000 0.971 397 D HN 0.275 nan 8.370 nan 0.000 0.453 398 A N 1.064 123.876 122.820 -0.013 0.000 1.958 398 A HA -0.215 4.105 4.320 0.000 0.000 0.221 398 A C 2.161 179.742 177.584 -0.004 0.000 1.178 398 A CA 1.407 53.453 52.037 0.015 0.000 0.642 398 A CB -0.771 18.274 19.000 0.076 0.000 0.816 398 A HN 0.254 nan 8.150 nan 0.000 0.453 399 L N 0.659 121.878 121.223 -0.006 0.000 1.961 399 L HA -0.174 4.166 4.340 0.000 0.000 0.210 399 L C 1.987 178.840 176.870 -0.028 0.000 1.072 399 L CA 2.488 57.315 54.840 -0.022 0.000 0.749 399 L CB -1.004 41.041 42.059 -0.023 0.000 0.889 399 L HN 0.411 nan 8.230 nan 0.000 0.432 400 N N 0.372 119.052 118.700 -0.034 0.000 2.094 400 N HA -0.241 4.499 4.740 0.000 0.000 0.191 400 N C 1.774 177.266 175.510 -0.029 0.000 1.023 400 N CA 1.726 54.755 53.050 -0.035 0.000 0.857 400 N CB -0.558 37.903 38.487 -0.044 0.000 1.013 400 N HN 0.572 nan 8.380 nan 0.000 0.426 401 A N 1.234 124.037 122.820 -0.029 0.000 1.841 401 A HA -0.175 4.146 4.320 0.000 0.000 0.216 401 A C 2.470 180.043 177.584 -0.018 0.000 1.199 401 A CA 2.547 54.570 52.037 -0.023 0.000 0.621 401 A CB -1.369 17.618 19.000 -0.021 0.000 0.835 401 A HN 0.356 nan 8.150 nan 0.000 0.445 402 T N 0.137 114.680 114.554 -0.018 0.000 2.699 402 T HA -0.204 4.146 4.350 0.000 0.000 0.268 402 T C 1.988 176.678 174.700 -0.016 0.000 1.036 402 T CA 1.647 63.737 62.100 -0.016 0.000 1.147 402 T CB -0.357 68.500 68.868 -0.018 0.000 0.862 402 T HN 0.495 nan 8.240 nan 0.000 0.446 403 R N 1.157 121.646 120.500 -0.019 0.000 2.081 403 R HA 0.022 4.362 4.340 0.000 0.000 0.235 403 R C 2.895 179.187 176.300 -0.014 0.000 1.131 403 R CA 1.393 57.482 56.100 -0.018 0.000 0.960 403 R CB -0.653 29.634 30.300 -0.023 0.000 0.856 403 R HN 0.430 nan 8.270 nan 0.000 0.436 404 A N 1.598 124.409 122.820 -0.015 0.000 1.898 404 A HA -0.063 4.257 4.320 0.000 0.000 0.216 404 A C 2.462 180.041 177.584 -0.009 0.000 1.181 404 A CA 1.541 53.571 52.037 -0.012 0.000 0.620 404 A CB -0.635 18.357 19.000 -0.013 0.000 0.819 404 A HN 0.376 nan 8.150 nan 0.000 0.442 405 A N -0.503 122.311 122.820 -0.010 0.000 1.958 405 A HA -0.100 4.220 4.320 0.000 0.000 0.221 405 A C 2.181 179.762 177.584 -0.005 0.000 1.178 405 A CA 2.061 54.093 52.037 -0.007 0.000 0.642 405 A CB -0.902 18.093 19.000 -0.009 0.000 0.816 405 A HN 0.455 nan 8.150 nan 0.000 0.453 406 V N -0.192 119.719 119.914 -0.006 0.000 2.548 406 V HA -0.205 3.915 4.120 0.000 0.000 0.249 406 V C 2.304 178.397 176.094 -0.002 0.000 1.055 406 V CA 1.957 64.254 62.300 -0.004 0.000 1.065 406 V CB -0.746 31.075 31.823 -0.004 0.000 0.681 406 V HN 0.643 nan 8.190 nan 0.000 0.462 407 E N 0.276 120.475 120.200 -0.003 0.000 2.051 407 E HA -0.191 4.160 4.350 0.000 0.000 0.192 407 E C 1.449 178.050 176.600 0.001 0.000 0.991 407 E CA 1.429 57.828 56.400 -0.001 0.000 0.799 407 E CB -0.000 29.699 29.700 -0.001 0.000 0.748 407 E HN 0.650 nan 8.360 nan 0.000 0.449 408 E N -0.766 119.434 120.200 0.000 0.000 2.759 408 E HA 0.225 4.576 4.350 0.000 0.000 0.220 408 E C 0.094 176.694 176.600 0.002 0.000 0.974 408 E CA 0.076 56.477 56.400 0.002 0.000 1.148 408 E CB 1.568 31.269 29.700 0.002 0.000 1.059 408 E HN 0.246 nan 8.360 nan 0.000 0.493 409 G N 2.037 110.837 108.800 0.000 0.000 2.693 409 G HA2 -0.254 3.706 3.960 0.000 0.000 0.226 409 G HA3 -0.254 3.706 3.960 0.000 0.000 0.226 409 G C -0.237 174.662 174.900 -0.001 0.000 1.354 409 G CA -0.214 44.886 45.100 0.000 0.000 0.873 409 G HN 0.261 nan 8.290 nan 0.000 0.562 410 I N -2.294 118.276 120.570 -0.000 0.000 2.846 410 I HA 0.911 5.081 4.170 0.000 0.000 0.307 410 I C 0.393 176.511 176.117 0.001 0.000 1.053 410 I CA -1.272 60.027 61.300 -0.002 0.000 1.050 410 I CB 2.085 40.083 38.000 -0.004 0.000 1.239 410 I HN 1.273 nan 8.210 nan 0.000 0.439 411 V N 0.043 119.957 119.914 -0.000 0.000 3.141 411 V HA 0.709 4.829 4.120 0.000 0.000 0.312 411 V C -2.873 173.220 176.094 -0.001 0.000 1.157 411 V CA -2.644 59.657 62.300 0.002 0.000 1.041 411 V CB 1.284 33.109 31.823 0.004 0.000 1.071 411 V HN 0.629 nan 8.190 nan 0.000 0.441 412 P HA 0.286 nan 4.420 nan 0.000 0.268 412 P C 0.343 177.634 177.300 -0.014 0.000 1.204 412 P CA 0.886 63.983 63.100 -0.005 0.000 0.768 412 P CB 0.538 32.241 31.700 0.006 0.000 0.842 413 G N 1.817 110.601 108.800 -0.028 0.000 2.509 413 G HA2 0.427 4.387 3.960 0.000 0.000 0.269 413 G HA3 0.427 4.387 3.960 0.000 0.000 0.269 413 G C 0.622 175.495 174.900 -0.045 0.000 1.416 413 G CA -0.374 44.706 45.100 -0.034 0.000 1.052 413 G HN 0.772 nan 8.290 nan 0.000 0.542 414 G N -1.930 106.839 108.800 -0.051 0.000 2.283 414 G HA2 0.203 4.163 3.960 0.000 0.000 0.280 414 G HA3 0.203 4.163 3.960 0.000 0.000 0.280 414 G C 1.566 176.446 174.900 -0.033 0.000 1.029 414 G CA 1.213 46.278 45.100 -0.058 0.000 0.840 414 G HN 2.450 nan 8.290 nan 0.000 0.505 415 G N -2.494 106.294 108.800 -0.021 0.000 2.302 415 G HA2 -0.308 3.652 3.960 0.000 0.000 0.263 415 G HA3 -0.308 3.652 3.960 0.000 0.000 0.263 415 G C 1.597 176.497 174.900 0.000 0.000 0.995 415 G CA 1.395 46.491 45.100 -0.007 0.000 0.622 415 G HN 1.527 nan 8.290 nan 0.000 0.538 416 V N 0.815 120.726 119.914 -0.004 0.000 2.370 416 V HA -0.274 3.846 4.120 0.000 0.000 0.252 416 V C 2.942 179.048 176.094 0.020 0.000 1.068 416 V CA 3.157 65.463 62.300 0.010 0.000 1.061 416 V CB -1.039 30.784 31.823 0.000 0.000 0.656 416 V HN 0.591 nan 8.190 nan 0.000 0.455 417 T N -0.031 114.530 114.554 0.012 0.000 2.737 417 T HA -0.093 4.257 4.350 0.000 0.000 0.265 417 T C 1.885 176.595 174.700 0.017 0.000 1.038 417 T CA 1.407 63.516 62.100 0.016 0.000 1.144 417 T CB -0.279 68.595 68.868 0.009 0.000 0.866 417 T HN 0.320 nan 8.240 nan 0.000 0.434 418 L N 0.510 121.740 121.223 0.013 0.000 2.079 418 L HA -0.085 4.255 4.340 0.000 0.000 0.210 418 L C 2.417 179.299 176.870 0.019 0.000 1.081 418 L CA 1.088 55.936 54.840 0.013 0.000 0.752 418 L CB -0.547 41.518 42.059 0.010 0.000 0.896 418 L HN 0.286 nan 8.230 nan 0.000 0.433 419 L N -0.911 120.326 121.223 0.024 0.000 2.046 419 L HA -0.175 4.165 4.340 0.000 0.000 0.208 419 L C 2.641 179.532 176.870 0.035 0.000 1.077 419 L CA 0.881 55.740 54.840 0.031 0.000 0.747 419 L CB -0.563 41.521 42.059 0.042 0.000 0.896 419 L HN 0.235 nan 8.230 nan 0.000 0.432 420 R N 0.330 120.852 120.500 0.037 0.000 2.293 420 R HA -0.044 4.297 4.340 0.000 0.000 0.219 420 R C 2.016 178.333 176.300 0.028 0.000 1.091 420 R CA 1.037 57.160 56.100 0.038 0.000 1.004 420 R CB -0.802 29.522 30.300 0.040 0.000 0.865 420 R HN 0.350 nan 8.270 nan 0.000 0.469 421 A N 0.821 123.655 122.820 0.023 0.000 2.016 421 A HA 0.017 4.337 4.320 0.000 0.000 0.217 421 A C 2.170 179.764 177.584 0.018 0.000 1.162 421 A CA 0.324 52.372 52.037 0.018 0.000 0.662 421 A CB -0.242 18.767 19.000 0.015 0.000 0.812 421 A HN 0.147 nan 8.150 nan 0.000 0.450 422 I N 0.787 121.369 120.570 0.020 0.000 2.113 422 I HA -0.351 3.819 4.170 0.000 0.000 0.242 422 I C 2.747 178.874 176.117 0.017 0.000 1.064 422 I CA 1.803 63.114 61.300 0.018 0.000 1.320 422 I CB -0.574 37.438 38.000 0.021 0.000 1.028 422 I HN 0.354 nan 8.210 nan 0.000 0.406 423 S N 1.336 117.048 115.700 0.019 0.000 2.380 423 S HA -0.296 4.174 4.470 0.000 0.000 0.229 423 S C 2.240 176.849 174.600 0.014 0.000 1.043 423 S CA 1.450 59.661 58.200 0.017 0.000 1.038 423 S CB -0.829 62.382 63.200 0.019 0.000 0.872 423 S HN 0.577 nan 8.310 nan 0.000 0.456 424 A N 1.436 124.264 122.820 0.014 0.000 1.933 424 A HA -0.006 4.314 4.320 0.000 0.000 0.218 424 A C 2.417 180.007 177.584 0.010 0.000 1.175 424 A CA 1.691 53.735 52.037 0.012 0.000 0.628 424 A CB -0.969 18.038 19.000 0.012 0.000 0.814 424 A HN 0.408 nan 8.150 nan 0.000 0.444 425 V N 0.211 120.131 119.914 0.011 0.000 2.358 425 V HA -0.206 3.914 4.120 0.000 0.000 0.246 425 V C 2.426 178.525 176.094 0.009 0.000 1.047 425 V CA 1.877 64.183 62.300 0.010 0.000 1.035 425 V CB -0.893 30.936 31.823 0.010 0.000 0.658 425 V HN 0.509 nan 8.190 nan 0.000 0.452 426 E N 0.254 120.460 120.200 0.010 0.000 2.049 426 E HA -0.244 4.106 4.350 0.000 0.000 0.198 426 E C 2.289 178.893 176.600 0.008 0.000 1.007 426 E CA 1.438 57.843 56.400 0.009 0.000 0.809 426 E CB -0.345 29.361 29.700 0.010 0.000 0.749 426 E HN 0.596 nan 8.360 nan 0.000 0.450 427 E N 0.707 120.912 120.200 0.008 0.000 2.130 427 E HA -0.198 4.152 4.350 0.000 0.000 0.196 427 E C 2.231 178.835 176.600 0.006 0.000 0.998 427 E CA 0.607 57.011 56.400 0.007 0.000 0.806 427 E CB -0.364 29.341 29.700 0.007 0.000 0.738 427 E HN 0.158 nan 8.360 nan 0.000 0.459 428 L N 0.958 122.185 121.223 0.007 0.000 2.005 428 L HA -0.111 4.229 4.340 0.000 0.000 0.207 428 L C 2.251 179.124 176.870 0.006 0.000 1.072 428 L CA 1.396 56.240 54.840 0.006 0.000 0.744 428 L CB -0.590 41.473 42.059 0.006 0.000 0.895 428 L HN 0.030 nan 8.230 nan 0.000 0.433 429 I N -0.122 120.452 120.570 0.006 0.000 2.145 429 I HA -0.389 3.781 4.170 0.000 0.000 0.244 429 I C 2.365 178.485 176.117 0.005 0.000 1.075 429 I CA 1.787 63.090 61.300 0.006 0.000 1.332 429 I CB -0.569 37.434 38.000 0.006 0.000 1.033 429 I HN 0.292 nan 8.210 nan 0.000 0.410 430 K N 0.865 121.268 120.400 0.005 0.000 2.362 430 K HA -0.185 4.135 4.320 0.000 0.000 0.202 430 K C 1.525 178.127 176.600 0.004 0.000 1.045 430 K CA 1.213 57.503 56.287 0.004 0.000 0.936 430 K CB -0.123 32.379 32.500 0.004 0.000 0.747 430 K HN 0.425 nan 8.250 nan 0.000 0.467 431 K N -0.029 120.373 120.400 0.004 0.000 2.358 431 K HA 0.202 4.522 4.320 0.000 0.000 0.200 431 K C 0.118 176.720 176.600 0.004 0.000 1.030 431 K CA -0.050 56.239 56.287 0.004 0.000 1.097 431 K CB 0.545 33.047 32.500 0.004 0.000 0.862 431 K HN -0.012 nan 8.250 nan 0.000 0.534 432 L N 0.757 121.982 121.223 0.004 0.000 2.322 432 L HA 0.441 4.781 4.340 0.000 0.000 0.269 432 L C -0.380 176.492 176.870 0.004 0.000 1.012 432 L CA -0.735 54.107 54.840 0.004 0.000 0.815 432 L CB 1.830 43.891 42.059 0.004 0.000 1.295 432 L HN 0.048 nan 8.230 nan 0.000 0.438 433 E N 0.024 120.226 120.200 0.004 0.000 2.433 433 E HA 0.569 4.920 4.350 0.000 0.000 0.278 433 E C -0.321 176.281 176.600 0.003 0.000 0.976 433 E CA 0.040 56.442 56.400 0.003 0.000 0.793 433 E CB 2.238 31.940 29.700 0.003 0.000 1.311 433 E HN 0.735 nan 8.360 nan 0.000 0.460 434 G N 2.299 111.101 108.800 0.003 0.000 2.598 434 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 434 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 434 G C 0.326 175.228 174.900 0.004 0.000 1.302 434 G CA 0.239 45.341 45.100 0.004 0.000 0.903 434 G HN 0.682 nan 8.290 nan 0.000 0.575 435 D N 0.162 120.565 120.400 0.004 0.000 2.219 435 D HA -0.041 4.600 4.640 0.000 0.000 0.205 435 D C 2.072 178.375 176.300 0.005 0.000 0.970 435 D CA 1.431 55.434 54.000 0.005 0.000 0.851 435 D CB -0.114 40.689 40.800 0.005 0.000 0.943 435 D HN 0.626 nan 8.370 nan 0.000 0.488 436 E N 0.721 120.923 120.200 0.004 0.000 2.058 436 E HA -0.175 4.175 4.350 0.000 0.000 0.194 436 E C 2.023 178.626 176.600 0.005 0.000 0.997 436 E CA 1.174 57.577 56.400 0.004 0.000 0.801 436 E CB 0.034 29.737 29.700 0.004 0.000 0.746 436 E HN 0.168 nan 8.360 nan 0.000 0.450 437 A N -0.020 122.803 122.820 0.004 0.000 1.972 437 A HA -0.168 4.153 4.320 0.000 0.000 0.219 437 A C 2.330 179.917 177.584 0.005 0.000 1.169 437 A CA 1.908 53.948 52.037 0.005 0.000 0.635 437 A CB -0.827 18.175 19.000 0.004 0.000 0.810 437 A HN 0.321 nan 8.150 nan 0.000 0.446 438 T N -0.145 114.412 114.554 0.005 0.000 2.708 438 T HA -0.062 4.288 4.350 0.000 0.000 0.266 438 T C 2.012 176.715 174.700 0.006 0.000 1.037 438 T CA 1.499 63.602 62.100 0.005 0.000 1.146 438 T CB -0.723 68.148 68.868 0.005 0.000 0.865 438 T HN 0.589 nan 8.240 nan 0.000 0.435 439 G N 1.393 110.196 108.800 0.005 0.000 2.491 439 G HA2 -0.146 3.815 3.960 0.000 0.000 0.218 439 G HA3 -0.146 3.815 3.960 0.000 0.000 0.218 439 G C 1.875 176.779 174.900 0.006 0.000 1.180 439 G CA 1.105 46.209 45.100 0.006 0.000 0.774 439 G HN 0.591 nan 8.290 nan 0.000 0.562 440 A N 0.868 123.692 122.820 0.006 0.000 1.917 440 A HA -0.127 4.193 4.320 0.000 0.000 0.219 440 A C 2.317 179.905 177.584 0.007 0.000 1.182 440 A CA 2.217 54.258 52.037 0.006 0.000 0.633 440 A CB -0.444 18.559 19.000 0.006 0.000 0.819 440 A HN 0.428 nan 8.150 nan 0.000 0.448 441 K N -0.577 119.827 120.400 0.006 0.000 2.097 441 K HA -0.059 4.261 4.320 0.000 0.000 0.206 441 K C 1.817 178.421 176.600 0.007 0.000 1.049 441 K CA 1.417 57.708 56.287 0.007 0.000 0.933 441 K CB -0.373 32.131 32.500 0.006 0.000 0.717 441 K HN 0.572 nan 8.250 nan 0.000 0.442 442 I N 0.630 121.204 120.570 0.007 0.000 2.179 442 I HA -0.286 3.884 4.170 0.000 0.000 0.242 442 I C 2.268 178.389 176.117 0.007 0.000 1.088 442 I CA 1.149 62.453 61.300 0.007 0.000 1.357 442 I CB -0.371 37.633 38.000 0.006 0.000 1.051 442 I HN -0.062 nan 8.210 nan 0.000 0.409 443 V N 0.977 120.895 119.914 0.007 0.000 2.287 443 V HA -0.317 3.803 4.120 0.000 0.000 0.248 443 V C 2.667 178.766 176.094 0.008 0.000 1.053 443 V CA 2.130 64.434 62.300 0.007 0.000 1.027 443 V CB -0.821 31.006 31.823 0.007 0.000 0.646 443 V HN 0.442 nan 8.190 nan 0.000 0.447 444 R N 0.113 120.618 120.500 0.009 0.000 2.117 444 R HA -0.263 4.078 4.340 0.000 0.000 0.243 444 R C 2.424 178.730 176.300 0.011 0.000 1.143 444 R CA 2.135 58.241 56.100 0.010 0.000 0.968 444 R CB -0.237 30.069 30.300 0.010 0.000 0.863 444 R HN 0.378 nan 8.270 nan 0.000 0.444 445 R N 0.658 121.164 120.500 0.009 0.000 2.073 445 R HA 0.048 4.388 4.340 0.000 0.000 0.229 445 R C 1.969 178.275 176.300 0.009 0.000 1.120 445 R CA 1.849 57.954 56.100 0.009 0.000 0.967 445 R CB -0.904 29.401 30.300 0.008 0.000 0.862 445 R HN 0.301 nan 8.270 nan 0.000 0.436 446 A N 1.140 123.965 122.820 0.008 0.000 1.892 446 A HA -0.143 4.177 4.320 0.000 0.000 0.218 446 A C 2.277 179.867 177.584 0.009 0.000 1.188 446 A CA 1.800 53.842 52.037 0.008 0.000 0.631 446 A CB -0.905 18.099 19.000 0.007 0.000 0.822 446 A HN 0.385 nan 8.150 nan 0.000 0.447 447 L N -0.636 120.593 121.223 0.010 0.000 2.283 447 L HA -0.281 4.059 4.340 0.000 0.000 0.217 447 L C 2.375 179.252 176.870 0.012 0.000 1.104 447 L CA 1.749 56.596 54.840 0.011 0.000 0.772 447 L CB -0.622 41.444 42.059 0.013 0.000 0.899 447 L HN 0.528 nan 8.230 nan 0.000 0.439 448 E N -0.840 119.367 120.200 0.012 0.000 2.230 448 E HA -0.130 4.220 4.350 0.000 0.000 0.192 448 E C 1.996 178.602 176.600 0.010 0.000 0.987 448 E CA 0.127 56.535 56.400 0.013 0.000 0.841 448 E CB 0.127 29.835 29.700 0.014 0.000 0.783 448 E HN 0.390 nan 8.360 nan 0.000 0.481 449 E N 0.563 120.769 120.200 0.009 0.000 2.049 449 E HA -0.153 4.197 4.350 0.000 0.000 0.198 449 E C -0.684 175.920 176.600 0.007 0.000 1.007 449 E CA 1.317 57.721 56.400 0.008 0.000 0.809 449 E CB -1.589 28.115 29.700 0.007 0.000 0.749 449 E HN 0.236 nan 8.360 nan 0.000 0.450 450 P HA -0.195 nan 4.420 nan 0.000 0.213 450 P C 1.398 178.699 177.300 0.003 0.000 1.176 450 P CA 2.490 65.592 63.100 0.003 0.000 0.919 450 P CB -0.250 31.451 31.700 0.002 0.000 0.791 451 A N -0.425 122.397 122.820 0.004 0.000 1.884 451 A HA -0.309 4.012 4.320 0.000 0.000 0.219 451 A C 2.411 179.996 177.584 0.003 0.000 1.197 451 A CA 2.323 54.362 52.037 0.004 0.000 0.637 451 A CB -1.448 17.557 19.000 0.008 0.000 0.827 451 A HN 0.014 nan 8.150 nan 0.000 0.450 452 R N -1.249 119.253 120.500 0.003 0.000 2.094 452 R HA -0.245 4.095 4.340 0.000 0.000 0.239 452 R C 2.528 178.833 176.300 0.009 0.000 1.137 452 R CA 2.109 58.210 56.100 0.001 0.000 0.943 452 R CB -0.326 29.977 30.300 0.005 0.000 0.850 452 R HN 0.597 nan 8.270 nan 0.000 0.433 453 Q N 0.655 120.461 119.800 0.011 0.000 2.135 453 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 453 Q C 1.850 177.862 176.000 0.019 0.000 0.981 453 Q CA 1.759 57.571 55.803 0.015 0.000 0.856 453 Q CB -0.189 28.556 28.738 0.010 0.000 0.902 453 Q HN 0.466 nan 8.270 nan 0.000 0.425 454 I N -0.221 120.357 120.570 0.013 0.000 2.113 454 I HA -0.298 3.872 4.170 0.000 0.000 0.238 454 I C 2.246 178.380 176.117 0.029 0.000 1.070 454 I CA 1.068 62.375 61.300 0.011 0.000 1.332 454 I CB -0.685 37.312 38.000 -0.004 0.000 1.044 454 I HN 0.298 nan 8.210 nan 0.000 0.402 455 A N 0.310 123.153 122.820 0.038 0.000 1.917 455 A HA -0.315 4.006 4.320 0.000 0.000 0.219 455 A C 2.188 179.843 177.584 0.119 0.000 1.182 455 A CA 2.349 54.419 52.037 0.055 0.000 0.633 455 A CB -0.727 18.243 19.000 -0.050 0.000 0.819 455 A HN 0.448 nan 8.150 nan 0.000 0.448 456 E N 0.306 120.554 120.200 0.080 0.000 2.038 456 E HA -0.182 4.168 4.350 0.000 0.000 0.195 456 E C 1.906 178.564 176.600 0.097 0.000 1.000 456 E CA 1.634 58.086 56.400 0.087 0.000 0.803 456 E CB -0.188 29.541 29.700 0.048 0.000 0.750 456 E HN 0.607 nan 8.360 nan 0.000 0.448 457 N N -0.002 118.740 118.700 0.071 0.000 2.205 457 N HA -0.164 4.576 4.740 0.000 0.000 0.186 457 N C 1.408 176.974 175.510 0.094 0.000 1.015 457 N CA 1.278 54.365 53.050 0.062 0.000 0.862 457 N CB -0.327 38.182 38.487 0.037 0.000 0.986 457 N HN 0.235 nan 8.380 nan 0.000 0.429 458 A N 0.092 122.993 122.820 0.135 0.000 2.209 458 A HA 0.299 4.620 4.320 0.000 0.000 0.212 458 A C 1.333 179.149 177.584 0.387 0.000 1.158 458 A CA 0.963 53.126 52.037 0.210 0.000 0.742 458 A CB -0.364 18.708 19.000 0.120 0.000 0.790 458 A HN 0.345 nan 8.150 nan 0.000 0.472 459 G N -2.275 106.709 108.800 0.307 0.000 2.255 459 G HA2 -0.188 3.772 3.960 0.000 0.000 0.239 459 G HA3 -0.188 3.772 3.960 0.000 0.000 0.239 459 G C -0.382 174.577 174.900 0.098 0.000 1.083 459 G CA 0.172 45.374 45.100 0.171 0.000 0.826 459 G HN 0.413 nan 8.290 nan 0.000 0.493 460 Y N -0.790 119.529 120.300 0.031 0.000 2.634 460 Y HA 0.571 5.121 4.550 0.000 0.000 0.340 460 Y C 0.576 176.456 175.900 -0.033 0.000 1.058 460 Y CA -1.639 56.461 58.100 -0.000 0.000 1.081 460 Y CB 1.074 39.521 38.460 -0.022 0.000 1.295 460 Y HN 0.143 nan 8.280 nan 0.000 0.487 461 E N 1.019 121.276 120.200 0.094 0.000 1.944 461 E HA 0.143 4.493 4.350 0.000 0.000 0.272 461 E C 0.790 177.397 176.600 0.012 0.000 1.195 461 E CA 0.106 56.527 56.400 0.035 0.000 0.926 461 E CB 0.661 30.369 29.700 0.014 0.000 1.051 461 E HN 0.959 nan 8.360 nan 0.000 0.404 462 G N 3.097 111.907 108.800 0.016 0.000 2.721 462 G HA2 -0.430 3.530 3.960 0.000 0.000 0.218 462 G HA3 -0.430 3.530 3.960 0.000 0.000 0.218 462 G C 1.640 176.531 174.900 -0.016 0.000 1.265 462 G CA 1.334 46.431 45.100 -0.006 0.000 0.796 462 G HN 0.587 nan 8.290 nan 0.000 0.620 463 S N 0.220 115.919 115.700 -0.001 0.000 2.392 463 S HA -0.201 4.269 4.470 0.000 0.000 0.232 463 S C 2.270 176.872 174.600 0.003 0.000 1.041 463 S CA 1.888 60.089 58.200 0.003 0.000 1.026 463 S CB -0.794 62.410 63.200 0.006 0.000 0.845 463 S HN 0.191 nan 8.310 nan 0.000 0.465 464 V N 2.335 122.248 119.914 -0.001 0.000 2.237 464 V HA -0.149 3.971 4.120 0.000 0.000 0.245 464 V C 2.500 178.601 176.094 0.012 0.000 1.046 464 V CA 2.061 64.364 62.300 0.004 0.000 1.007 464 V CB -0.773 31.053 31.823 0.004 0.000 0.638 464 V HN 0.480 nan 8.190 nan 0.000 0.445 465 I N -0.073 120.476 120.570 -0.035 0.000 2.163 465 I HA -0.235 3.935 4.170 0.000 0.000 0.243 465 I C 2.335 178.478 176.117 0.044 0.000 1.085 465 I CA 1.388 62.656 61.300 -0.053 0.000 1.347 465 I CB -0.430 37.296 38.000 -0.457 0.000 1.044 465 I HN 0.157 nan 8.210 nan 0.000 0.408 466 V N 0.202 120.120 119.914 0.007 0.000 2.568 466 V HA -0.298 3.822 4.120 0.000 0.000 0.253 466 V C 2.344 178.478 176.094 0.066 0.000 1.072 466 V CA 1.721 64.043 62.300 0.038 0.000 1.084 466 V CB -0.701 31.133 31.823 0.019 0.000 0.676 466 V HN 0.433 nan 8.190 nan 0.000 0.469 467 Q N 0.334 120.168 119.800 0.057 0.000 2.033 467 Q HA -0.133 4.207 4.340 0.000 0.000 0.196 467 Q C 2.301 178.345 176.000 0.073 0.000 0.970 467 Q CA 1.643 57.477 55.803 0.052 0.000 0.828 467 Q CB -0.411 28.344 28.738 0.028 0.000 0.895 467 Q HN 0.687 nan 8.270 nan 0.000 0.440 468 Q N -0.345 119.503 119.800 0.081 0.000 2.248 468 Q HA -0.151 4.189 4.340 0.000 0.000 0.208 468 Q C 2.001 178.121 176.000 0.200 0.000 0.984 468 Q CA 1.248 57.081 55.803 0.050 0.000 0.875 468 Q CB -0.116 28.563 28.738 -0.099 0.000 0.910 468 Q HN 0.441 nan 8.270 nan 0.000 0.433 469 I N 0.172 120.925 120.570 0.306 0.000 2.235 469 I HA -0.232 3.938 4.170 0.000 0.000 0.241 469 I C 1.975 178.247 176.117 0.258 0.000 1.085 469 I CA 0.876 62.397 61.300 0.368 0.000 1.378 469 I CB -0.111 38.038 38.000 0.249 0.000 1.076 469 I HN 0.167 nan 8.210 nan 0.000 0.415 470 L N 0.662 121.977 121.223 0.154 0.000 2.456 470 L HA -0.131 4.209 4.340 0.000 0.000 0.224 470 L C 2.686 179.603 176.870 0.079 0.000 1.148 470 L CA 0.653 55.554 54.840 0.102 0.000 0.825 470 L CB -0.599 41.501 42.059 0.068 0.000 0.937 470 L HN 0.230 nan 8.230 nan 0.000 0.450 471 A N -0.212 122.656 122.820 0.079 0.000 1.855 471 A HA -0.174 4.147 4.320 0.000 0.000 0.215 471 A C 1.274 178.858 177.584 0.000 0.000 1.191 471 A CA 0.694 52.747 52.037 0.027 0.000 0.613 471 A CB -0.305 18.697 19.000 0.004 0.000 0.829 471 A HN 0.295 nan 8.150 nan 0.000 0.442 472 E N 0.250 120.453 120.200 0.005 0.000 2.328 472 E HA 0.240 4.590 4.350 0.000 0.000 0.265 472 E C 0.412 177.007 176.600 -0.008 0.000 1.057 472 E CA 0.629 56.971 56.400 -0.096 0.000 0.916 472 E CB 0.493 30.000 29.700 -0.322 0.000 0.993 472 E HN 0.295 nan 8.360 nan 0.000 0.446 473 T N 4.011 118.547 114.554 -0.029 0.000 2.990 473 T HA 0.082 4.432 4.350 0.000 0.000 0.250 473 T C 1.212 175.909 174.700 -0.006 0.000 1.041 473 T CA -0.085 62.014 62.100 -0.001 0.000 1.010 473 T CB 0.165 69.030 68.868 -0.005 0.000 1.003 473 T HN 0.289 nan 8.240 nan 0.000 0.499 474 K N 1.842 122.222 120.400 -0.034 0.000 1.965 474 K HA -0.056 4.264 4.320 0.000 0.000 0.220 474 K C 0.962 177.563 176.600 0.001 0.000 1.046 474 K CA 1.162 57.433 56.287 -0.027 0.000 0.974 474 K CB -0.158 32.309 32.500 -0.054 0.000 0.738 474 K HN 0.105 nan 8.250 nan 0.000 0.444 475 N N 1.019 119.725 118.700 0.010 0.000 2.462 475 N HA 0.072 4.812 4.740 0.000 0.000 0.242 475 N C -2.078 173.497 175.510 0.108 0.000 1.010 475 N CA -1.991 51.094 53.050 0.058 0.000 0.939 475 N CB 1.326 39.857 38.487 0.074 0.000 1.127 475 N HN -0.048 nan 8.380 nan 0.000 0.509 476 P HA -0.142 nan 4.420 nan 0.000 0.223 476 P C 0.301 177.667 177.300 0.110 0.000 1.144 476 P CA 1.005 64.162 63.100 0.094 0.000 0.783 476 P CB 0.329 32.065 31.700 0.060 0.000 0.771 477 R N -1.893 118.673 120.500 0.110 0.000 2.313 477 R HA 0.025 4.365 4.340 0.000 0.000 0.199 477 R C 0.702 177.084 176.300 0.136 0.000 0.958 477 R CA -0.269 55.888 56.100 0.095 0.000 1.047 477 R CB -0.608 29.734 30.300 0.071 0.000 0.955 477 R HN 0.217 nan 8.270 nan 0.000 0.481 478 Y N 0.968 121.306 120.300 0.062 0.000 2.442 478 Y HA 0.299 4.850 4.550 0.000 0.000 0.330 478 Y C 0.585 176.561 175.900 0.126 0.000 1.129 478 Y CA 0.443 58.603 58.100 0.100 0.000 1.365 478 Y CB 0.702 39.225 38.460 0.106 0.000 1.233 478 Y HN 0.079 nan 8.280 nan 0.000 0.529 479 G N 4.539 113.084 108.800 -0.425 0.000 2.606 479 G HA2 0.339 4.299 3.960 0.000 0.000 0.300 479 G HA3 0.339 4.299 3.960 0.000 0.000 0.300 479 G C -2.317 172.343 174.900 -0.400 0.000 1.360 479 G CA -1.012 43.920 45.100 -0.280 0.000 0.783 479 G HN 0.606 nan 8.290 nan 0.000 0.484 480 F N 1.131 120.743 119.950 -0.564 0.000 2.444 480 F HA 0.603 5.130 4.527 0.000 0.000 0.342 480 F C -0.094 175.396 175.800 -0.518 0.000 1.121 480 F CA -1.040 56.449 58.000 -0.852 0.000 0.997 480 F CB 1.914 40.286 39.000 -1.046 0.000 1.130 480 F HN 0.372 nan 8.300 nan 0.000 0.454 481 N N 5.066 123.117 118.700 -1.082 0.000 2.645 481 N HA 0.262 5.002 4.740 0.000 0.000 0.233 481 N C 0.650 175.456 175.510 -1.174 0.000 1.058 481 N CA 0.263 52.824 53.050 -0.816 0.000 0.942 481 N CB 1.180 39.363 38.487 -0.506 0.000 1.210 481 N HN 0.747 nan 8.380 nan 0.000 0.512 482 A N 3.081 125.299 122.820 -1.004 0.000 2.093 482 A HA -0.150 4.170 4.320 0.000 0.000 0.222 482 A C 2.082 179.361 177.584 -0.509 0.000 1.162 482 A CA 1.886 53.445 52.037 -0.798 0.000 0.655 482 A CB -0.718 18.096 19.000 -0.310 0.000 0.805 482 A HN 0.713 nan 8.150 nan 0.000 0.461 483 A N -0.532 122.051 122.820 -0.395 0.000 1.854 483 A HA -0.041 4.279 4.320 0.000 0.000 0.214 483 A C 2.381 179.853 177.584 -0.186 0.000 1.192 483 A CA 2.294 54.197 52.037 -0.223 0.000 0.611 483 A CB -1.074 17.820 19.000 -0.176 0.000 0.832 483 A HN 0.832 nan 8.150 nan 0.000 0.442 484 T N -4.355 110.053 114.554 -0.244 0.000 3.065 484 T HA 0.401 4.751 4.350 0.000 0.000 0.252 484 T C 1.228 175.845 174.700 -0.139 0.000 1.099 484 T CA 1.069 63.079 62.100 -0.150 0.000 1.063 484 T CB -0.024 68.765 68.868 -0.132 0.000 0.948 484 T HN 1.813 nan 8.240 nan 0.000 0.506 485 G N 1.244 109.828 108.800 -0.359 0.000 2.256 485 G HA2 -0.170 3.790 3.960 0.000 0.000 0.272 485 G HA3 -0.170 3.790 3.960 0.000 0.000 0.272 485 G C -0.440 174.425 174.900 -0.058 0.000 1.076 485 G CA 0.075 45.033 45.100 -0.236 0.000 0.882 485 G HN 0.692 nan 8.290 nan 0.000 0.497 486 E N -1.468 118.520 120.200 -0.353 0.000 2.383 486 E HA 0.601 4.951 4.350 0.000 0.000 0.275 486 E C -0.890 175.618 176.600 -0.154 0.000 0.918 486 E CA -1.055 55.335 56.400 -0.017 0.000 0.764 486 E CB 1.358 31.071 29.700 0.023 0.000 1.252 486 E HN 0.047 nan 8.360 nan 0.000 0.449 487 F N 1.358 121.341 119.950 0.055 0.000 2.394 487 F HA 0.420 4.947 4.527 0.000 0.000 0.340 487 F C 0.590 176.341 175.800 -0.082 0.000 1.105 487 F CA -0.361 57.592 58.000 -0.078 0.000 1.124 487 F CB 1.192 40.159 39.000 -0.056 0.000 1.145 487 F HN 0.237 nan 8.300 nan 0.000 0.505 488 V N -1.184 118.694 119.914 -0.060 0.000 3.121 488 V HA 0.485 4.605 4.120 0.000 0.000 0.308 488 V C -1.414 174.693 176.094 0.023 0.000 1.492 488 V CA -1.087 61.233 62.300 0.032 0.000 1.034 488 V CB 1.724 33.533 31.823 -0.023 0.000 1.066 488 V HN 0.555 nan 8.190 nan 0.000 0.472 489 D N 1.323 121.761 120.400 0.065 0.000 2.393 489 D HA 0.247 4.887 4.640 0.000 0.000 0.232 489 D C 1.289 177.592 176.300 0.005 0.000 1.192 489 D CA -0.386 53.655 54.000 0.068 0.000 0.882 489 D CB 1.309 42.155 40.800 0.076 0.000 1.038 489 D HN 0.546 nan 8.370 nan 0.000 0.499 490 M N 2.867 122.455 119.600 -0.021 0.000 2.116 490 M HA -0.207 4.273 4.480 0.000 0.000 0.255 490 M C 1.889 178.173 176.300 -0.027 0.000 1.075 490 M CA 1.170 56.443 55.300 -0.046 0.000 1.087 490 M CB -0.815 31.759 32.600 -0.044 0.000 1.340 490 M HN 0.312 nan 8.290 nan 0.000 0.402 491 V N 0.198 120.110 119.914 -0.005 0.000 2.216 491 V HA -0.243 3.877 4.120 0.000 0.000 0.243 491 V C 2.101 178.193 176.094 -0.003 0.000 1.044 491 V CA 1.875 64.174 62.300 -0.002 0.000 0.995 491 V CB -0.846 30.983 31.823 0.010 0.000 0.633 491 V HN 0.465 nan 8.190 nan 0.000 0.446 492 E N 0.157 120.361 120.200 0.006 0.000 2.448 492 E HA -0.170 4.180 4.350 0.000 0.000 0.203 492 E C 1.788 178.385 176.600 -0.005 0.000 1.046 492 E CA 0.968 57.371 56.400 0.006 0.000 0.871 492 E CB -0.214 29.497 29.700 0.017 0.000 0.790 492 E HN 0.605 nan 8.360 nan 0.000 0.545 493 A N 0.024 122.833 122.820 -0.017 0.000 2.308 493 A HA 0.342 4.662 4.320 0.000 0.000 0.217 493 A C 1.506 179.067 177.584 -0.038 0.000 1.216 493 A CA 0.504 52.520 52.037 -0.034 0.000 0.864 493 A CB 0.117 19.082 19.000 -0.058 0.000 0.902 493 A HN 0.246 nan 8.150 nan 0.000 0.499 494 G N -0.136 108.647 108.800 -0.028 0.000 2.225 494 G HA2 -0.212 3.748 3.960 0.000 0.000 0.264 494 G HA3 -0.212 3.748 3.960 0.000 0.000 0.264 494 G C -0.023 174.855 174.900 -0.037 0.000 1.060 494 G CA 0.426 45.510 45.100 -0.027 0.000 0.833 494 G HN 0.582 nan 8.290 nan 0.000 0.498 495 I N 0.447 120.991 120.570 -0.044 0.000 2.697 495 I HA 0.369 4.539 4.170 0.000 0.000 0.279 495 I C 0.252 176.345 176.117 -0.041 0.000 1.171 495 I CA -0.760 60.507 61.300 -0.054 0.000 1.135 495 I CB 0.958 38.908 38.000 -0.084 0.000 1.445 495 I HN -0.041 nan 8.210 nan 0.000 0.541 496 V N 2.442 122.338 119.914 -0.030 0.000 3.158 496 V HA 0.607 4.727 4.120 0.000 0.000 0.315 496 V C -0.679 175.404 176.094 -0.019 0.000 1.148 496 V CA -0.709 61.578 62.300 -0.021 0.000 1.042 496 V CB 2.766 34.580 31.823 -0.014 0.000 1.101 496 V HN 0.363 nan 8.190 nan 0.000 0.448 497 D N 0.267 120.658 120.400 -0.014 0.000 2.857 497 D HA 0.389 5.029 4.640 0.000 0.000 0.227 497 D C -3.002 173.293 176.300 -0.009 0.000 1.192 497 D CA -1.323 52.669 54.000 -0.013 0.000 0.857 497 D CB 2.636 43.428 40.800 -0.013 0.000 1.645 497 D HN 0.214 nan 8.370 nan 0.000 0.482 498 P HA 0.079 nan 4.420 nan 0.000 0.261 498 P C 0.486 177.783 177.300 -0.005 0.000 1.203 498 P CA 0.038 63.134 63.100 -0.008 0.000 0.767 498 P CB 0.581 32.275 31.700 -0.010 0.000 0.785 499 A N 5.093 127.912 122.820 -0.003 0.000 2.032 499 A HA -0.263 4.057 4.320 0.000 0.000 0.221 499 A C 2.092 179.676 177.584 -0.001 0.000 1.165 499 A CA 1.639 53.676 52.037 -0.001 0.000 0.645 499 A CB -0.909 18.091 19.000 0.001 0.000 0.807 499 A HN 0.508 nan 8.150 nan 0.000 0.453 500 K N -0.278 120.121 120.400 -0.002 0.000 2.057 500 K HA -0.077 4.243 4.320 0.000 0.000 0.206 500 K C 1.802 178.400 176.600 -0.003 0.000 1.050 500 K CA 1.479 57.765 56.287 -0.002 0.000 0.935 500 K CB -0.262 32.236 32.500 -0.003 0.000 0.715 500 K HN 0.263 nan 8.250 nan 0.000 0.439 501 V N 1.096 121.007 119.914 -0.005 0.000 2.255 501 V HA -0.285 3.835 4.120 0.000 0.000 0.247 501 V C 2.246 178.338 176.094 -0.003 0.000 1.051 501 V CA 2.392 64.689 62.300 -0.005 0.000 1.018 501 V CB -0.846 30.973 31.823 -0.007 0.000 0.641 501 V HN 0.465 nan 8.190 nan 0.000 0.445 502 T N -0.104 114.448 114.554 -0.003 0.000 2.595 502 T HA -0.286 4.064 4.350 0.000 0.000 0.264 502 T C 2.034 176.734 174.700 0.001 0.000 1.058 502 T CA 2.112 64.212 62.100 -0.001 0.000 1.166 502 T CB -0.399 68.469 68.868 0.000 0.000 0.863 502 T HN 0.429 nan 8.240 nan 0.000 0.415 503 R N 0.719 121.220 120.500 0.001 0.000 2.133 503 R HA -0.162 4.178 4.340 0.000 0.000 0.247 503 R C 2.430 178.731 176.300 0.002 0.000 1.151 503 R CA 1.978 58.080 56.100 0.002 0.000 0.971 503 R CB -0.380 29.921 30.300 0.003 0.000 0.866 503 R HN 0.290 nan 8.270 nan 0.000 0.447 504 S N 0.340 116.041 115.700 0.001 0.000 2.335 504 S HA -0.064 4.406 4.470 0.000 0.000 0.217 504 S C 2.065 176.665 174.600 0.000 0.000 1.032 504 S CA 0.977 59.177 58.200 0.000 0.000 0.985 504 S CB -0.404 62.795 63.200 -0.001 0.000 0.896 504 S HN 0.585 nan 8.310 nan 0.000 0.445 505 A N 1.593 124.413 122.820 -0.000 0.000 1.915 505 A HA -0.190 4.131 4.320 0.000 0.000 0.220 505 A C 2.145 179.730 177.584 0.001 0.000 1.198 505 A CA 1.897 53.934 52.037 0.000 0.000 0.647 505 A CB -0.970 18.030 19.000 0.000 0.000 0.825 505 A HN 0.394 nan 8.150 nan 0.000 0.456 506 L N -0.571 120.653 121.223 0.002 0.000 1.948 506 L HA -0.213 4.127 4.340 0.000 0.000 0.212 506 L C 2.599 179.471 176.870 0.003 0.000 1.074 506 L CA 2.616 57.458 54.840 0.003 0.000 0.753 506 L CB -0.985 41.076 42.059 0.004 0.000 0.888 506 L HN 0.533 nan 8.230 nan 0.000 0.432 507 Q N -0.527 119.275 119.800 0.003 0.000 2.173 507 Q HA -0.257 4.083 4.340 0.000 0.000 0.208 507 Q C 2.013 178.014 176.000 0.002 0.000 0.989 507 Q CA 1.967 57.771 55.803 0.002 0.000 0.872 507 Q CB -0.311 28.429 28.738 0.002 0.000 0.909 507 Q HN 0.583 nan 8.270 nan 0.000 0.420 508 N N -0.037 118.664 118.700 0.001 0.000 2.080 508 N HA -0.105 4.635 4.740 0.000 0.000 0.189 508 N C 1.710 177.221 175.510 0.001 0.000 1.036 508 N CA 1.316 54.366 53.050 0.001 0.000 0.846 508 N CB -0.429 38.058 38.487 0.001 0.000 1.015 508 N HN 0.243 nan 8.380 nan 0.000 0.423 509 A N 1.425 124.246 122.820 0.002 0.000 1.873 509 A HA -0.112 4.208 4.320 0.000 0.000 0.218 509 A C 2.370 179.956 177.584 0.002 0.000 1.193 509 A CA 2.456 54.494 52.037 0.002 0.000 0.629 509 A CB -1.127 17.874 19.000 0.003 0.000 0.826 509 A HN 0.345 nan 8.150 nan 0.000 0.447 510 A N -1.106 121.716 122.820 0.003 0.000 2.032 510 A HA -0.137 4.183 4.320 0.000 0.000 0.221 510 A C 2.432 180.018 177.584 0.002 0.000 1.165 510 A CA 2.308 54.347 52.037 0.003 0.000 0.645 510 A CB -0.846 18.156 19.000 0.003 0.000 0.807 510 A HN 0.563 nan 8.150 nan 0.000 0.453 511 S N -0.651 115.050 115.700 0.002 0.000 2.357 511 S HA -0.060 4.410 4.470 0.000 0.000 0.221 511 S C 1.908 176.508 174.600 0.001 0.000 1.031 511 S CA 1.132 59.333 58.200 0.001 0.000 0.982 511 S CB -0.417 62.783 63.200 0.000 0.000 0.853 511 S HN 0.513 nan 8.310 nan 0.000 0.458 512 I N 1.301 121.871 120.570 0.001 0.000 2.163 512 I HA -0.159 4.011 4.170 0.000 0.000 0.243 512 I C 2.615 178.734 176.117 0.002 0.000 1.085 512 I CA 1.259 62.560 61.300 0.001 0.000 1.347 512 I CB -1.116 36.885 38.000 0.001 0.000 1.044 512 I HN 0.453 nan 8.210 nan 0.000 0.408 513 G N 0.712 109.513 108.800 0.002 0.000 2.545 513 G HA2 -0.336 3.624 3.960 0.000 0.000 0.217 513 G HA3 -0.336 3.624 3.960 0.000 0.000 0.217 513 G C 1.845 176.747 174.900 0.003 0.000 1.218 513 G CA 1.122 46.224 45.100 0.003 0.000 0.787 513 G HN 0.510 nan 8.290 nan 0.000 0.571 514 A N 0.192 123.014 122.820 0.003 0.000 1.948 514 A HA -0.051 4.270 4.320 0.000 0.000 0.220 514 A C 2.400 179.986 177.584 0.003 0.000 1.177 514 A CA 1.994 54.033 52.037 0.003 0.000 0.636 514 A CB -0.474 18.527 19.000 0.003 0.000 0.815 514 A HN 0.534 nan 8.150 nan 0.000 0.449 515 L N -0.023 121.201 121.223 0.002 0.000 1.970 515 L HA -0.149 4.191 4.340 0.000 0.000 0.212 515 L C 2.310 179.180 176.870 0.001 0.000 1.071 515 L CA 2.050 56.891 54.840 0.000 0.000 0.751 515 L CB -0.450 41.609 42.059 -0.001 0.000 0.889 515 L HN 0.451 nan 8.230 nan 0.000 0.432 516 I N -0.805 119.766 120.570 0.001 0.000 2.208 516 I HA -0.344 3.826 4.170 0.000 0.000 0.245 516 I C 2.396 178.516 176.117 0.005 0.000 1.097 516 I CA 1.487 62.789 61.300 0.002 0.000 1.363 516 I CB -0.398 37.604 38.000 0.002 0.000 1.051 516 I HN 0.310 nan 8.210 nan 0.000 0.413 517 L N -0.062 121.165 121.223 0.006 0.000 2.131 517 L HA -0.178 4.162 4.340 0.000 0.000 0.210 517 L C 2.187 179.063 176.870 0.010 0.000 1.092 517 L CA 1.396 56.241 54.840 0.009 0.000 0.759 517 L CB -0.998 41.066 42.059 0.008 0.000 0.903 517 L HN 0.254 nan 8.230 nan 0.000 0.435 518 T N -1.579 112.980 114.554 0.008 0.000 3.129 518 T HA 0.003 4.353 4.350 0.000 0.000 0.251 518 T C 0.804 175.509 174.700 0.009 0.000 1.117 518 T CA 0.248 62.353 62.100 0.009 0.000 1.034 518 T CB -0.172 68.700 68.868 0.006 0.000 0.968 518 T HN 0.199 nan 8.240 nan 0.000 0.526 519 T N 2.950 117.508 114.554 0.007 0.000 2.761 519 T HA 0.162 4.512 4.350 0.000 0.000 0.296 519 T C 0.744 175.451 174.700 0.012 0.000 0.934 519 T CA -0.285 61.816 62.100 0.002 0.000 1.091 519 T CB 1.000 69.864 68.868 -0.007 0.000 0.896 519 T HN 0.066 nan 8.240 nan 0.000 0.515 520 E N 1.023 121.233 120.200 0.016 0.000 2.511 520 E HA 0.417 4.767 4.350 0.000 0.000 0.209 520 E C 0.324 176.950 176.600 0.042 0.000 0.986 520 E CA 0.007 56.438 56.400 0.053 0.000 0.974 520 E CB 0.928 30.674 29.700 0.076 0.000 1.030 520 E HN 0.746 nan 8.360 nan 0.000 0.490 521 A N 0.268 123.048 122.820 -0.066 0.000 2.590 521 A HA 0.557 4.877 4.320 0.000 0.000 0.294 521 A C -1.366 176.083 177.584 -0.225 0.000 1.046 521 A CA -0.416 51.463 52.037 -0.263 0.000 0.684 521 A CB 1.299 20.054 19.000 -0.409 0.000 1.279 521 A HN 0.114 nan 8.150 nan 0.000 0.415 522 V N -0.814 118.928 119.914 -0.287 0.000 2.733 522 V HA 0.829 4.949 4.120 0.000 0.000 0.306 522 V C -1.221 174.752 176.094 -0.201 0.000 1.084 522 V CA -0.661 61.532 62.300 -0.180 0.000 0.905 522 V CB 1.551 33.309 31.823 -0.109 0.000 1.010 522 V HN 1.199 nan 8.190 nan 0.000 0.424 523 V N 5.156 124.983 119.914 -0.144 0.000 2.293 523 V HA 0.852 4.972 4.120 0.000 0.000 0.275 523 V C 0.816 176.856 176.094 -0.090 0.000 1.021 523 V CA 0.350 62.577 62.300 -0.123 0.000 0.815 523 V CB 0.524 32.288 31.823 -0.099 0.000 1.025 523 V HN 1.366 nan 8.190 nan 0.000 0.448 524 A N 4.049 126.814 122.820 -0.092 0.000 2.269 524 A HA 0.796 5.116 4.320 0.000 0.000 0.327 524 A C 0.029 177.520 177.584 -0.155 0.000 1.112 524 A CA -0.671 51.306 52.037 -0.099 0.000 0.865 524 A CB 0.719 19.677 19.000 -0.071 0.000 1.227 524 A HN 0.627 nan 8.150 nan 0.000 0.498 525 E N 0.610 120.653 120.200 -0.261 0.000 2.283 525 E HA 0.239 4.589 4.350 0.000 0.000 0.278 525 E C -0.675 175.664 176.600 -0.435 0.000 1.027 525 E CA -0.508 55.708 56.400 -0.307 0.000 0.843 525 E CB 1.432 30.953 29.700 -0.300 0.000 1.062 525 E HN 0.442 nan 8.360 nan 0.000 0.401 526 K N 3.258 123.518 120.400 -0.234 0.000 2.270 526 K HA 0.234 4.554 4.320 0.000 0.000 0.276 526 K C -2.281 174.238 176.600 -0.136 0.000 1.023 526 K CA -1.288 54.905 56.287 -0.157 0.000 0.955 526 K CB 0.050 32.508 32.500 -0.070 0.000 0.975 526 K HN 0.162 nan 8.250 nan 0.000 0.471 527 P HA 0.000 nan 4.420 nan 0.000 0.216 527 P CA 0.000 63.161 63.100 0.101 0.000 0.800 527 P CB 0.000 31.792 31.700 0.154 0.000 0.726