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 1xr4_1_B DATA FIRST_RESID 0 DATA SEQUENCE AXKETVTXLN QQYVVPEGLQ PYQGVTANSP WLASETEKRR RKICDSLEEA DATA SEQUENCE IRRSGLKNGX TISFHHAFRG GDKVVNXVXA KLAEXGFRDL TLASSSLIDA DATA SEQUENCE HWPLIEHIKN GVVRQIYTSG LRGKLGEEIS AGLXENPVQI HSHGGRVKLI DATA SEQUENCE QSGELNIDVA FLGVPCCDEF GNANGFSGKS RCGSLGYAQV DAQYAKCVVL DATA SEQUENCE LTEEWVEFPN YPASIAQDQV DLIVQVDEVG DPEKITAGAI RLSSNPRELL DATA SEQUENCE IARQAANVIE HSGYFCDGFS LQTGTGGASL AVTRFLEDKX RRHNITASFG DATA SEQUENCE LGGITGTXVD LHEKGLIKAL LDTQSFDGDA ARSLAQNPHH IEISTNQYAN DATA SEQUENCE PASKGAACER LNVVXLSALE IDVNFNVNVX TGSNGVLRGA SGGHSDTAAG DATA SEQUENCE ADLTIITAPL VRGRIPCVVE KVLTTVTPGA SVDVLVTDHG IAVNPARQDL DATA SEQUENCE LDNLRAAGVA LXTIEQLQQR AEQLTGKPQP IEFTDRVVAV VRYRDGSVID DATA SEQUENCE VIRQVK 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.605 177.584 0.035 0.000 1.274 0 A CA 0.000 52.056 52.037 0.032 0.000 0.836 0 A CB 0.000 19.030 19.000 0.050 0.000 0.831 3 E N 1.413 121.625 120.200 0.019 0.000 2.038 3 E HA -0.193 4.157 4.350 0.000 0.000 0.195 3 E C 1.944 178.560 176.600 0.025 0.000 1.000 3 E CA 2.260 58.671 56.400 0.020 0.000 0.803 3 E CB -0.512 29.199 29.700 0.018 0.000 0.750 3 E HN 0.406 nan 8.360 nan 0.000 0.448 4 T N -0.324 114.246 114.554 0.026 0.000 2.942 4 T HA -0.050 4.300 4.350 0.000 0.000 0.265 4 T C 1.914 176.635 174.700 0.034 0.000 1.062 4 T CA 0.933 63.051 62.100 0.030 0.000 1.139 4 T CB -0.321 68.559 68.868 0.020 0.000 0.883 4 T HN 0.028 nan 8.240 nan 0.000 0.468 5 V N 2.079 122.010 119.914 0.028 0.000 2.407 5 V HA -0.064 4.056 4.120 0.000 0.000 0.248 5 V C 2.043 178.160 176.094 0.039 0.000 1.055 5 V CA 1.630 63.948 62.300 0.030 0.000 1.049 5 V CB -1.301 30.538 31.823 0.025 0.000 0.662 5 V HN 0.550 nan 8.190 nan 0.000 0.455 9 N N 0.771 119.530 118.700 0.098 0.000 2.289 9 N HA -0.131 4.609 4.740 0.000 0.000 0.184 9 N C 1.406 176.951 175.510 0.058 0.000 1.016 9 N CA 1.279 54.370 53.050 0.069 0.000 0.872 9 N CB 0.044 38.558 38.487 0.044 0.000 0.973 9 N HN 0.502 nan 8.380 nan 0.000 0.433 10 Q N -0.428 119.405 119.800 0.054 0.000 2.373 10 Q HA 0.159 4.499 4.340 0.000 0.000 0.210 10 Q C 1.009 176.997 176.000 -0.021 0.000 0.913 10 Q CA 0.443 56.256 55.803 0.017 0.000 0.911 10 Q CB 0.389 29.134 28.738 0.011 0.000 1.040 10 Q HN 0.451 nan 8.270 nan 0.000 0.521 11 Q N -1.045 118.735 119.800 -0.033 0.000 2.280 11 Q HA 0.159 4.499 4.340 0.000 0.000 0.228 11 Q C -0.541 175.180 176.000 -0.464 0.000 0.857 11 Q CA 0.147 55.802 55.803 -0.247 0.000 0.939 11 Q CB 0.981 29.522 28.738 -0.329 0.000 1.114 11 Q HN 0.168 nan 8.270 nan 0.000 0.514 12 Y N -0.985 119.316 120.300 0.002 0.000 2.634 12 Y HA 0.403 4.953 4.550 0.000 0.000 0.340 12 Y C -0.244 175.657 175.900 0.002 0.000 1.058 12 Y CA -1.378 56.723 58.100 0.002 0.000 1.081 12 Y CB 1.348 39.810 38.460 0.002 0.000 1.295 12 Y HN -0.386 nan 8.280 nan 0.000 0.487 13 V N 3.644 123.666 119.914 0.180 0.000 2.320 13 V HA 0.457 4.577 4.120 0.000 0.000 0.265 13 V C -0.411 175.737 176.094 0.090 0.000 1.048 13 V CA -0.524 61.835 62.300 0.098 0.000 0.865 13 V CB -0.138 31.725 31.823 0.067 0.000 1.043 13 V HN 0.548 nan 8.190 nan 0.000 0.474 14 V N 3.299 123.256 119.914 0.073 0.000 3.040 14 V HA 0.770 4.890 4.120 0.000 0.000 0.312 14 V C -2.415 173.699 176.094 0.033 0.000 1.115 14 V CA -2.511 59.817 62.300 0.047 0.000 0.998 14 V CB 1.253 33.104 31.823 0.047 0.000 1.042 14 V HN 0.599 nan 8.190 nan 0.000 0.433 15 P HA 0.184 nan 4.420 nan 0.000 0.269 15 P C -0.457 176.855 177.300 0.020 0.000 1.205 15 P CA 0.050 63.160 63.100 0.018 0.000 0.780 15 P CB 0.226 31.933 31.700 0.013 0.000 0.858 16 E N 0.044 120.254 120.200 0.017 0.000 2.277 16 E HA 0.460 4.810 4.350 0.000 0.000 0.274 16 E C 0.484 177.093 176.600 0.015 0.000 1.022 16 E CA -0.621 55.789 56.400 0.017 0.000 0.853 16 E CB 0.383 30.092 29.700 0.015 0.000 1.086 16 E HN 0.682 nan 8.360 nan 0.000 0.397 17 G N 2.452 111.261 108.800 0.015 0.000 2.149 17 G HA2 -0.257 3.703 3.960 0.000 0.000 0.235 17 G HA3 -0.257 3.703 3.960 0.000 0.000 0.235 17 G C -0.049 174.859 174.900 0.013 0.000 1.018 17 G CA 0.009 45.116 45.100 0.013 0.000 0.728 17 G HN 0.447 nan 8.290 nan 0.000 0.508 18 L N 0.337 121.570 121.223 0.016 0.000 2.477 18 L HA 0.296 4.636 4.340 0.000 0.000 0.272 18 L C 0.964 177.843 176.870 0.016 0.000 1.157 18 L CA 0.317 55.167 54.840 0.016 0.000 0.889 18 L CB 0.612 42.681 42.059 0.017 0.000 1.158 18 L HN 0.325 nan 8.230 nan 0.000 0.473 19 Q N 4.460 124.270 119.800 0.016 0.000 2.301 19 Q HA 0.513 4.853 4.340 0.000 0.000 0.267 19 Q C -2.198 173.817 176.000 0.025 0.000 1.035 19 Q CA -1.917 53.894 55.803 0.014 0.000 0.856 19 Q CB 1.984 30.724 28.738 0.004 0.000 1.337 19 Q HN 0.413 nan 8.270 nan 0.000 0.450 20 P HA 0.045 nan 4.420 nan 0.000 0.282 20 P C -1.167 176.173 177.300 0.067 0.000 1.249 20 P CA -0.446 62.686 63.100 0.054 0.000 0.806 20 P CB 0.356 32.082 31.700 0.043 0.000 0.984 21 Y N 2.399 122.689 120.300 -0.018 0.000 2.904 21 Y HA -0.105 4.446 4.550 0.000 0.000 0.336 21 Y C 0.909 176.795 175.900 -0.023 0.000 1.263 21 Y CA 0.863 58.949 58.100 -0.022 0.000 1.547 21 Y CB 0.401 38.848 38.460 -0.023 0.000 1.272 21 Y HN 0.461 nan 8.280 nan 0.000 0.596 22 Q N 5.071 124.397 119.800 -0.791 0.000 2.248 22 Q HA 0.500 4.840 4.340 0.000 0.000 0.324 22 Q C -0.204 175.372 176.000 -0.706 0.000 0.867 22 Q CA -0.194 55.228 55.803 -0.635 0.000 1.101 22 Q CB 0.399 28.968 28.738 -0.282 0.000 1.328 22 Q HN 1.125 nan 8.270 nan 0.000 0.408 23 G N -0.287 107.770 108.800 -1.238 0.000 2.640 23 G HA2 -0.151 3.809 3.960 0.000 0.000 0.686 23 G HA3 -0.151 3.809 3.960 0.000 0.000 0.686 23 G C 0.052 174.785 174.900 -0.278 0.000 1.229 23 G CA -0.470 44.312 45.100 -0.530 0.000 0.796 23 G HN 0.079 nan 8.290 nan 0.000 0.654 24 V N 0.787 120.684 119.914 -0.028 0.000 2.515 24 V HA -0.047 4.073 4.120 0.000 0.000 0.250 24 V C 2.697 178.734 176.094 -0.094 0.000 1.058 24 V CA 3.081 65.393 62.300 0.020 0.000 1.064 24 V CB -0.341 31.502 31.823 0.033 0.000 0.675 24 V HN 1.534 nan 8.190 nan 0.000 0.461 25 T N -3.478 110.989 114.554 -0.144 0.000 3.085 25 T HA 0.373 4.723 4.350 0.000 0.000 0.264 25 T C 1.661 176.227 174.700 -0.222 0.000 1.019 25 T CA 0.636 62.605 62.100 -0.218 0.000 0.910 25 T CB 0.558 69.306 68.868 -0.200 0.000 1.059 25 T HN 0.305 nan 8.240 nan 0.000 0.542 26 A N 3.419 126.124 122.820 -0.191 0.000 1.896 26 A HA -0.217 4.103 4.320 0.000 0.000 0.220 26 A C 1.953 179.439 177.584 -0.163 0.000 1.206 26 A CA 2.173 54.107 52.037 -0.173 0.000 0.647 26 A CB -0.981 17.905 19.000 -0.189 0.000 0.828 26 A HN 0.744 nan 8.150 nan 0.000 0.455 27 N N -1.345 117.250 118.700 -0.174 0.000 2.214 27 N HA 0.203 4.943 4.740 0.000 0.000 0.214 27 N C -0.628 174.694 175.510 -0.312 0.000 1.132 27 N CA 0.119 53.074 53.050 -0.158 0.000 0.856 27 N CB 0.646 39.087 38.487 -0.077 0.000 1.020 27 N HN 0.204 nan 8.380 nan 0.000 0.509 28 S N 0.907 116.285 115.700 -0.537 0.000 2.359 28 S HA 0.217 4.687 4.470 0.000 0.000 0.148 28 S C -2.094 171.827 174.600 -1.131 0.000 1.610 28 S CA -0.811 56.649 58.200 -1.232 0.000 1.274 28 S CB 1.057 63.712 63.200 -0.908 0.000 1.380 28 S HN 0.057 nan 8.310 nan 0.000 0.380 29 P HA -0.088 nan 4.420 nan 0.000 0.218 29 P C 1.289 178.463 177.300 -0.210 0.000 1.148 29 P CA 0.832 63.739 63.100 -0.322 0.000 0.822 29 P CB -0.183 31.459 31.700 -0.097 0.000 0.784 30 W N -0.552 120.747 121.300 -0.001 0.000 2.424 30 W HA -0.046 4.614 4.660 0.000 0.000 0.264 30 W C 1.310 177.831 176.519 0.004 0.000 1.229 30 W CA 0.351 57.698 57.345 0.003 0.000 1.208 30 W CB -1.966 27.500 29.460 0.010 0.000 1.127 30 W HN -0.150 nan 8.180 nan 0.000 0.588 31 L N 1.290 122.338 121.223 -0.292 0.000 2.465 31 L HA 0.014 4.354 4.340 0.000 0.000 0.224 31 L C 2.611 179.437 176.870 -0.073 0.000 1.145 31 L CA 0.786 55.539 54.840 -0.144 0.000 0.834 31 L CB -0.811 41.099 42.059 -0.248 0.000 0.944 31 L HN 0.227 nan 8.230 nan 0.000 0.451 32 A N -1.225 121.550 122.820 -0.074 0.000 2.206 32 A HA -0.005 4.315 4.320 0.000 0.000 0.211 32 A C 1.163 178.742 177.584 -0.008 0.000 1.158 32 A CA 0.678 52.689 52.037 -0.043 0.000 0.761 32 A CB -0.086 18.886 19.000 -0.048 0.000 0.801 32 A HN 0.277 nan 8.150 nan 0.000 0.473 33 S N -0.393 115.319 115.700 0.019 0.000 2.733 33 S HA 0.322 4.792 4.470 0.000 0.000 0.294 33 S C 0.606 175.228 174.600 0.036 0.000 1.149 33 S CA 0.051 58.268 58.200 0.028 0.000 1.034 33 S CB 1.094 64.320 63.200 0.043 0.000 1.015 33 S HN 0.503 nan 8.310 nan 0.000 0.486 34 E N 2.864 123.073 120.200 0.014 0.000 2.208 34 E HA -0.094 4.256 4.350 0.000 0.000 0.193 34 E C 1.348 177.947 176.600 -0.001 0.000 0.988 34 E CA 1.300 57.704 56.400 0.007 0.000 0.828 34 E CB -0.379 29.316 29.700 -0.008 0.000 0.763 34 E HN 0.577 nan 8.360 nan 0.000 0.478 35 T N 0.462 115.015 114.554 -0.001 0.000 2.857 35 T HA -0.160 4.190 4.350 0.000 0.000 0.266 35 T C 1.770 176.472 174.700 0.003 0.000 1.048 35 T CA 1.546 63.638 62.100 -0.013 0.000 1.139 35 T CB -0.147 68.711 68.868 -0.017 0.000 0.874 35 T HN 0.412 nan 8.240 nan 0.000 0.455 36 E N 0.928 121.152 120.200 0.040 0.000 2.072 36 E HA -0.133 4.217 4.350 0.000 0.000 0.191 36 E C 2.103 178.774 176.600 0.118 0.000 0.985 36 E CA 1.160 57.606 56.400 0.076 0.000 0.801 36 E CB -0.127 29.640 29.700 0.112 0.000 0.750 36 E HN 0.608 nan 8.360 nan 0.000 0.452 37 K N -0.050 120.451 120.400 0.169 0.000 2.360 37 K HA -0.153 4.167 4.320 0.000 0.000 0.201 37 K C 1.690 178.363 176.600 0.122 0.000 1.046 37 K CA 1.254 57.684 56.287 0.239 0.000 0.940 37 K CB -0.009 32.667 32.500 0.293 0.000 0.748 37 K HN 0.008 nan 8.250 nan 0.000 0.465 38 R N 0.213 120.716 120.500 0.005 0.000 2.237 38 R HA 0.197 4.537 4.340 0.000 0.000 0.195 38 R C 1.489 177.788 176.300 -0.003 0.000 0.956 38 R CA 0.488 56.522 56.100 -0.110 0.000 1.029 38 R CB 0.314 30.491 30.300 -0.206 0.000 0.972 38 R HN 0.124 nan 8.270 nan 0.000 0.493 39 R N 0.020 120.527 120.500 0.012 0.000 2.531 39 R HA 0.154 4.495 4.340 0.000 0.000 0.316 39 R C 1.272 177.568 176.300 -0.005 0.000 0.955 39 R CA -0.110 55.982 56.100 -0.014 0.000 1.120 39 R CB 0.554 30.820 30.300 -0.057 0.000 1.361 39 R HN 0.109 nan 8.270 nan 0.000 0.534 40 R N 1.168 121.667 120.500 -0.002 0.000 2.154 40 R HA -0.183 4.157 4.340 0.000 0.000 0.248 40 R C 1.042 177.307 176.300 -0.057 0.000 1.155 40 R CA 1.518 57.594 56.100 -0.040 0.000 0.979 40 R CB -0.311 29.920 30.300 -0.115 0.000 0.869 40 R HN 0.057 nan 8.270 nan 0.000 0.452 41 K N 0.593 120.963 120.400 -0.050 0.000 2.365 41 K HA 0.176 4.496 4.320 0.000 0.000 0.197 41 K C 0.626 177.247 176.600 0.035 0.000 1.042 41 K CA 0.169 56.434 56.287 -0.038 0.000 0.987 41 K CB 0.134 32.603 32.500 -0.051 0.000 0.779 41 K HN 0.172 nan 8.250 nan 0.000 0.484 42 I N 1.674 122.273 120.570 0.048 0.000 2.618 42 I HA -0.077 4.093 4.170 0.000 0.000 0.284 42 I C 0.033 176.198 176.117 0.080 0.000 1.146 42 I CA -0.269 61.086 61.300 0.091 0.000 1.425 42 I CB 0.359 38.337 38.000 -0.037 0.000 1.383 42 I HN 0.059 nan 8.210 nan 0.000 0.562 43 C N 5.129 124.509 119.300 0.133 0.000 2.417 43 C HA 0.224 4.684 4.460 0.000 0.000 0.324 43 C C 1.065 176.129 174.990 0.122 0.000 1.240 43 C CA -0.522 58.558 59.018 0.103 0.000 1.632 43 C CB 1.146 28.943 27.740 0.094 0.000 2.241 43 C HN 0.772 nan 8.230 nan 0.000 0.499 44 D N 0.708 121.159 120.400 0.085 0.000 2.347 44 D HA 0.049 4.689 4.640 0.000 0.000 0.213 44 D C 0.820 177.168 176.300 0.080 0.000 0.985 44 D CA 0.791 54.840 54.000 0.082 0.000 0.879 44 D CB 0.239 41.070 40.800 0.052 0.000 0.919 44 D HN 0.666 nan 8.370 nan 0.000 0.526 45 S N -1.202 114.543 115.700 0.075 0.000 2.625 45 S HA 0.255 4.725 4.470 0.000 0.000 0.271 45 S C 0.315 174.955 174.600 0.066 0.000 1.161 45 S CA -0.887 57.351 58.200 0.065 0.000 0.820 45 S CB 1.291 64.521 63.200 0.051 0.000 1.137 45 S HN -0.073 nan 8.310 nan 0.000 0.470 46 L N 1.347 122.602 121.223 0.053 0.000 2.083 46 L HA 0.109 4.449 4.340 0.000 0.000 0.209 46 L C 2.410 179.315 176.870 0.058 0.000 1.083 46 L CA 1.968 56.839 54.840 0.052 0.000 0.752 46 L CB -1.058 41.011 42.059 0.016 0.000 0.899 46 L HN 0.924 nan 8.230 nan 0.000 0.433 47 E N -0.681 119.549 120.200 0.051 0.000 2.085 47 E HA -0.290 4.060 4.350 0.000 0.000 0.194 47 E C 2.054 178.700 176.600 0.076 0.000 0.994 47 E CA 1.487 57.926 56.400 0.064 0.000 0.801 47 E CB -0.039 29.695 29.700 0.058 0.000 0.743 47 E HN 0.614 nan 8.360 nan 0.000 0.453 48 E N 0.178 120.419 120.200 0.068 0.000 2.051 48 E HA -0.183 4.168 4.350 0.000 0.000 0.192 48 E C 2.032 178.674 176.600 0.070 0.000 0.991 48 E CA 0.870 57.308 56.400 0.064 0.000 0.799 48 E CB -0.045 29.689 29.700 0.057 0.000 0.748 48 E HN 0.202 nan 8.360 nan 0.000 0.449 49 A N 0.820 123.688 122.820 0.080 0.000 1.940 49 A HA -0.173 4.147 4.320 0.000 0.000 0.219 49 A C 2.083 179.728 177.584 0.103 0.000 1.176 49 A CA 1.248 53.336 52.037 0.084 0.000 0.631 49 A CB -0.528 18.537 19.000 0.109 0.000 0.814 49 A HN 0.297 nan 8.150 nan 0.000 0.446 50 I N -1.149 119.500 120.570 0.132 0.000 2.353 50 I HA -0.184 3.986 4.170 0.000 0.000 0.248 50 I C 2.662 178.865 176.117 0.143 0.000 1.119 50 I CA 0.629 62.017 61.300 0.147 0.000 1.417 50 I CB -0.285 37.774 38.000 0.098 0.000 1.078 50 I HN 0.204 nan 8.210 nan 0.000 0.421 51 R N 1.184 121.760 120.500 0.126 0.000 2.082 51 R HA -0.134 4.206 4.340 0.000 0.000 0.234 51 R C 2.366 178.713 176.300 0.078 0.000 1.136 51 R CA 1.558 57.724 56.100 0.109 0.000 0.935 51 R CB -0.844 29.505 30.300 0.082 0.000 0.842 51 R HN 0.387 nan 8.270 nan 0.000 0.430 52 R N 0.894 121.427 120.500 0.054 0.000 2.105 52 R HA -0.086 4.254 4.340 0.000 0.000 0.239 52 R C 2.387 178.693 176.300 0.010 0.000 1.135 52 R CA 1.614 57.730 56.100 0.027 0.000 0.967 52 R CB -0.454 29.854 30.300 0.014 0.000 0.861 52 R HN 0.338 nan 8.270 nan 0.000 0.442 53 S N 0.089 115.794 115.700 0.008 0.000 2.465 53 S HA -0.080 4.390 4.470 0.000 0.000 0.241 53 S C 1.543 176.140 174.600 -0.005 0.000 1.000 53 S CA 0.947 59.128 58.200 -0.031 0.000 0.964 53 S CB -0.325 62.839 63.200 -0.061 0.000 0.763 53 S HN 0.570 nan 8.310 nan 0.000 0.512 54 G N 0.404 109.227 108.800 0.040 0.000 2.198 54 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 54 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 54 G C -0.154 174.799 174.900 0.089 0.000 1.025 54 G CA 0.320 45.454 45.100 0.056 0.000 0.769 54 G HN 0.803 nan 8.290 nan 0.000 0.507 55 L N 0.314 121.619 121.223 0.137 0.000 2.455 55 L HA 0.589 4.929 4.340 0.000 0.000 0.272 55 L C 0.394 177.485 176.870 0.368 0.000 1.174 55 L CA 0.090 55.048 54.840 0.197 0.000 0.869 55 L CB 0.475 42.610 42.059 0.127 0.000 1.130 55 L HN 0.131 nan 8.230 nan 0.000 0.474 56 K N 3.095 123.667 120.400 0.288 0.000 2.352 56 K HA 0.420 4.740 4.320 0.000 0.000 0.240 56 K C -0.686 176.078 176.600 0.272 0.000 1.017 56 K CA -1.192 55.230 56.287 0.225 0.000 0.851 56 K CB 0.882 33.443 32.500 0.102 0.000 1.261 56 K HN 0.485 nan 8.250 nan 0.000 0.451 57 N N 0.630 119.423 118.700 0.155 0.000 2.407 57 N HA 0.207 4.947 4.740 0.000 0.000 0.250 57 N C 0.670 176.249 175.510 0.115 0.000 1.236 57 N CA 1.431 54.570 53.050 0.148 0.000 0.879 57 N CB 0.095 38.611 38.487 0.048 0.000 1.088 57 N HN 0.754 nan 8.380 nan 0.000 0.450 61 I N -0.040 120.547 120.570 0.027 0.000 2.846 61 I HA 0.980 5.150 4.170 0.000 0.000 0.307 61 I C -0.183 175.901 176.117 -0.054 0.000 1.053 61 I CA -0.905 60.388 61.300 -0.012 0.000 1.050 61 I CB 2.395 40.449 38.000 0.091 0.000 1.239 61 I HN 0.719 nan 8.210 nan 0.000 0.439 62 S N 2.829 118.370 115.700 -0.265 0.000 2.588 62 S HA 0.853 5.323 4.470 0.000 0.000 0.275 62 S C -1.252 173.059 174.600 -0.481 0.000 1.130 62 S CA -0.557 57.533 58.200 -0.183 0.000 0.855 62 S CB 1.873 65.044 63.200 -0.049 0.000 1.116 62 S HN 0.625 nan 8.310 nan 0.000 0.472 63 F N 0.838 120.859 119.950 0.117 0.000 2.668 63 F HA 0.537 5.064 4.527 0.000 0.000 0.309 63 F C 0.166 176.045 175.800 0.131 0.000 1.117 63 F CA -0.808 57.258 58.000 0.110 0.000 0.951 63 F CB 1.723 40.739 39.000 0.025 0.000 1.323 63 F HN 0.918 nan 8.300 nan 0.000 0.451 64 H N -0.149 119.087 119.070 0.277 0.000 2.676 64 H HA 0.413 4.969 4.556 0.000 0.000 0.352 64 H C -0.705 174.732 175.328 0.183 0.000 1.193 64 H CA -0.642 55.518 56.048 0.187 0.000 1.243 64 H CB 1.600 31.410 29.762 0.080 0.000 1.751 64 H HN 0.858 nan 8.280 nan 0.000 0.567 65 H N -0.107 118.960 119.070 -0.004 0.000 2.475 65 H HA 0.420 4.976 4.556 0.000 0.000 0.276 65 H C 0.356 175.642 175.328 -0.069 0.000 1.126 65 H CA 0.058 56.069 56.048 -0.061 0.000 1.023 65 H CB -0.500 29.236 29.762 -0.044 0.000 1.669 65 H HN 0.642 nan 8.280 nan 0.000 0.573 66 A N 0.628 123.287 122.820 -0.270 0.000 2.168 66 A HA 0.055 4.376 4.320 0.000 0.000 0.215 66 A C 0.994 178.271 177.584 -0.511 0.000 1.152 66 A CA 0.199 51.974 52.037 -0.437 0.000 0.716 66 A CB -0.932 17.805 19.000 -0.438 0.000 0.794 66 A HN 0.337 nan 8.150 nan 0.000 0.465 67 F N -0.586 119.355 119.950 -0.015 0.000 2.732 67 F HA 0.262 4.789 4.527 0.000 0.000 0.303 67 F C 1.310 177.114 175.800 0.007 0.000 1.110 67 F CA -0.073 57.920 58.000 -0.012 0.000 1.355 67 F CB -0.152 38.833 39.000 -0.025 0.000 1.081 67 F HN 0.114 nan 8.300 nan 0.000 0.565 68 R N -0.173 120.397 120.500 0.117 0.000 3.815 68 R HA -0.261 4.079 4.340 0.000 0.000 0.470 68 R C 1.863 178.235 176.300 0.120 0.000 0.241 68 R CA 0.914 57.098 56.100 0.141 0.000 1.481 68 R CB -1.649 28.733 30.300 0.138 0.000 0.988 68 R HN 0.380 nan 8.270 nan 0.000 0.570 69 G N -0.443 108.415 108.800 0.097 0.000 2.509 69 G HA2 -0.042 3.918 3.960 0.000 0.000 0.218 69 G HA3 -0.042 3.918 3.960 0.000 0.000 0.218 69 G C 1.076 175.982 174.900 0.010 0.000 1.124 69 G CA 0.969 46.094 45.100 0.042 0.000 0.776 69 G HN 0.670 nan 8.290 nan 0.000 0.547 70 G N -0.262 108.567 108.800 0.049 0.000 3.042 70 G HA2 0.166 4.126 3.960 0.000 0.000 0.212 70 G HA3 0.166 4.126 3.960 0.000 0.000 0.212 70 G C 0.144 175.049 174.900 0.009 0.000 1.166 70 G CA 0.034 45.151 45.100 0.027 0.000 0.767 70 G HN 0.406 nan 8.290 nan 0.000 0.546 71 D N -0.127 120.296 120.400 0.039 0.000 2.525 71 D HA 0.093 4.733 4.640 0.000 0.000 0.235 71 D C 1.209 177.479 176.300 -0.050 0.000 1.137 71 D CA 0.739 54.768 54.000 0.048 0.000 0.868 71 D CB 0.644 41.525 40.800 0.135 0.000 1.180 71 D HN 0.123 nan 8.370 nan 0.000 0.465 72 K N 1.824 122.179 120.400 -0.075 0.000 2.491 72 K HA 0.127 4.447 4.320 0.000 0.000 0.211 72 K C 1.413 177.964 176.600 -0.082 0.000 1.210 72 K CA -0.179 56.049 56.287 -0.098 0.000 1.003 72 K CB 0.782 33.204 32.500 -0.129 0.000 1.009 72 K HN 0.234 nan 8.250 nan 0.000 0.577 73 V N 0.574 120.460 119.914 -0.047 0.000 2.283 73 V HA -0.207 3.913 4.120 0.000 0.000 0.243 73 V C 2.034 178.080 176.094 -0.080 0.000 1.039 73 V CA 1.518 63.817 62.300 -0.001 0.000 1.016 73 V CB -0.261 31.638 31.823 0.126 0.000 0.650 73 V HN 0.004 nan 8.190 nan 0.000 0.449 74 V N 0.153 119.916 119.914 -0.252 0.000 2.252 74 V HA -0.212 3.908 4.120 0.000 0.000 0.249 74 V C 1.379 177.231 176.094 -0.404 0.000 1.056 74 V CA 1.495 63.360 62.300 -0.725 0.000 1.022 74 V CB -0.887 30.399 31.823 -0.895 0.000 0.641 74 V HN 0.560 nan 8.190 nan 0.000 0.445 80 K N 0.680 121.023 120.400 -0.095 0.000 2.063 80 K HA 0.011 4.331 4.320 0.000 0.000 0.208 80 K C 1.857 178.424 176.600 -0.055 0.000 1.048 80 K CA 1.746 57.991 56.287 -0.070 0.000 0.928 80 K CB -0.499 31.945 32.500 -0.094 0.000 0.713 80 K HN 0.593 nan 8.250 nan 0.000 0.442 81 L N -0.009 121.123 121.223 -0.153 0.000 2.093 81 L HA -0.140 4.200 4.340 0.000 0.000 0.208 81 L C 2.494 179.420 176.870 0.093 0.000 1.085 81 L CA 1.110 55.876 54.840 -0.124 0.000 0.755 81 L CB -0.451 41.392 42.059 -0.359 0.000 0.904 81 L HN 0.090 nan 8.230 nan 0.000 0.435 82 A N -0.797 122.014 122.820 -0.014 0.000 1.897 82 A HA -0.124 4.196 4.320 0.000 0.000 0.215 82 A C 1.523 179.168 177.584 0.101 0.000 1.181 82 A CA 0.631 52.708 52.037 0.067 0.000 0.620 82 A CB -0.302 18.763 19.000 0.109 0.000 0.821 82 A HN 0.355 nan 8.150 nan 0.000 0.443 86 F N 2.116 122.068 119.950 0.003 0.000 2.471 86 F HA 0.636 5.163 4.527 0.000 0.000 0.353 86 F C 0.994 176.800 175.800 0.011 0.000 1.113 86 F CA -0.073 57.931 58.000 0.006 0.000 1.262 86 F CB 0.922 39.921 39.000 -0.001 0.000 1.146 86 F HN -0.114 nan 8.300 nan 0.000 0.578 87 R N 1.301 121.903 120.500 0.169 0.000 2.854 87 R HA 0.276 4.616 4.340 0.000 0.000 0.271 87 R C -0.641 175.729 176.300 0.116 0.000 0.994 87 R CA -0.966 55.201 56.100 0.111 0.000 0.945 87 R CB 1.139 31.474 30.300 0.057 0.000 1.194 87 R HN 0.712 nan 8.270 nan 0.000 0.476 88 D N 0.350 120.805 120.400 0.092 0.000 2.945 88 D HA -0.174 4.466 4.640 0.000 0.000 0.225 88 D C -0.091 176.265 176.300 0.093 0.000 1.158 88 D CA 0.810 54.859 54.000 0.082 0.000 0.805 88 D CB -1.267 39.574 40.800 0.068 0.000 1.098 88 D HN 0.359 nan 8.370 nan 0.000 0.426 89 L N 0.317 121.602 121.223 0.103 0.000 2.439 89 L HA 0.160 4.500 4.340 0.000 0.000 0.269 89 L C 1.198 178.125 176.870 0.095 0.000 1.179 89 L CA 0.439 55.339 54.840 0.100 0.000 0.828 89 L CB 0.538 42.651 42.059 0.088 0.000 1.106 89 L HN -0.151 nan 8.230 nan 0.000 0.467 90 T N 3.440 118.053 114.554 0.098 0.000 2.771 90 T HA 0.372 4.722 4.350 0.000 0.000 0.291 90 T C -0.341 174.436 174.700 0.129 0.000 0.954 90 T CA -0.375 61.798 62.100 0.122 0.000 1.045 90 T CB 1.182 70.124 68.868 0.124 0.000 0.917 90 T HN 0.206 nan 8.240 nan 0.000 0.484 91 L N 3.747 125.060 121.223 0.151 0.000 2.264 91 L HA 0.694 5.034 4.340 0.000 0.000 0.289 91 L C 0.005 176.997 176.870 0.203 0.000 1.044 91 L CA -0.341 54.603 54.840 0.174 0.000 0.807 91 L CB 0.571 42.699 42.059 0.115 0.000 1.192 91 L HN 0.717 nan 8.230 nan 0.000 0.425 92 A N 3.682 126.631 122.820 0.214 0.000 3.248 92 A HA 0.477 4.797 4.320 0.000 0.000 0.315 92 A C 0.078 177.808 177.584 0.243 0.000 0.974 92 A CA -0.303 51.861 52.037 0.210 0.000 0.939 92 A CB -0.030 19.027 19.000 0.096 0.000 1.061 92 A HN 0.660 nan 8.150 nan 0.000 0.481 93 S N 0.140 115.997 115.700 0.262 0.000 2.580 93 S HA 0.296 4.766 4.470 0.000 0.000 0.274 93 S C 1.667 176.380 174.600 0.189 0.000 1.329 93 S CA 0.252 58.601 58.200 0.249 0.000 1.036 93 S CB 0.721 63.973 63.200 0.087 0.000 0.919 93 S HN 1.076 nan 8.310 nan 0.000 0.515 94 S N 2.705 118.520 115.700 0.192 0.000 2.453 94 S HA 0.151 4.621 4.470 0.000 0.000 0.231 94 S C 0.643 175.215 174.600 -0.047 0.000 1.005 94 S CA 0.281 58.580 58.200 0.165 0.000 0.949 94 S CB -0.155 63.158 63.200 0.189 0.000 0.774 94 S HN 0.578 nan 8.310 nan 0.000 0.510 95 S N -0.441 115.160 115.700 -0.164 0.000 2.542 95 S HA 0.583 5.053 4.470 0.000 0.000 0.276 95 S C -1.715 172.842 174.600 -0.070 0.000 1.148 95 S CA -0.885 57.170 58.200 -0.240 0.000 0.886 95 S CB 0.908 63.720 63.200 -0.648 0.000 1.109 95 S HN 0.378 nan 8.310 nan 0.000 0.458 96 L N 5.101 126.314 121.223 -0.015 0.000 2.307 96 L HA 0.673 5.013 4.340 0.000 0.000 0.284 96 L C 0.009 176.990 176.870 0.186 0.000 1.023 96 L CA -0.770 54.142 54.840 0.119 0.000 0.810 96 L CB 1.295 43.373 42.059 0.032 0.000 1.231 96 L HN 0.664 nan 8.230 nan 0.000 0.423 97 I N -1.677 119.070 120.570 0.295 0.000 3.204 97 I HA 0.409 4.579 4.170 0.000 0.000 0.313 97 I C 0.776 176.927 176.117 0.056 0.000 1.082 97 I CA -0.706 60.651 61.300 0.095 0.000 1.033 97 I CB 0.662 38.665 38.000 0.006 0.000 1.304 97 I HN 0.579 nan 8.210 nan 0.000 0.536 98 D N 1.604 122.029 120.400 0.042 0.000 2.312 98 D HA -0.098 4.542 4.640 0.000 0.000 0.211 98 D C 1.680 178.064 176.300 0.138 0.000 0.964 98 D CA 1.201 55.256 54.000 0.092 0.000 0.877 98 D CB -0.350 40.500 40.800 0.084 0.000 0.924 98 D HN 0.652 nan 8.370 nan 0.000 0.515 99 A N -0.159 122.646 122.820 -0.025 0.000 2.209 99 A HA -0.078 4.242 4.320 0.000 0.000 0.212 99 A C 1.034 178.432 177.584 -0.309 0.000 1.158 99 A CA 0.398 52.391 52.037 -0.073 0.000 0.742 99 A CB -1.030 17.867 19.000 -0.172 0.000 0.790 99 A HN 0.427 nan 8.150 nan 0.000 0.472 100 H N -0.766 118.258 119.070 -0.076 0.000 2.592 100 H HA 0.001 4.557 4.556 0.000 0.000 0.291 100 H C 1.480 176.717 175.328 -0.152 0.000 1.052 100 H CA 0.022 55.963 56.048 -0.177 0.000 1.175 100 H CB -0.085 29.604 29.762 -0.122 0.000 1.378 100 H HN 0.902 nan 8.280 nan 0.000 0.576 101 W N 0.250 121.573 121.300 0.038 0.000 2.364 101 W HA -0.021 4.639 4.660 0.000 0.000 0.281 101 W C -1.688 174.827 176.519 -0.007 0.000 1.219 101 W CA 0.181 57.532 57.345 0.010 0.000 1.220 101 W CB -1.914 27.538 29.460 -0.013 0.000 1.127 101 W HN 0.171 nan 8.180 nan 0.000 0.556 102 P HA -0.149 nan 4.420 nan 0.000 0.223 102 P C 1.984 179.129 177.300 -0.258 0.000 1.144 102 P CA 1.423 64.168 63.100 -0.591 0.000 0.783 102 P CB -0.470 30.784 31.700 -0.744 0.000 0.771 103 L N -1.449 119.726 121.223 -0.079 0.000 2.265 103 L HA -0.157 4.183 4.340 0.000 0.000 0.215 103 L C 2.121 179.014 176.870 0.038 0.000 1.117 103 L CA 1.045 55.914 54.840 0.048 0.000 0.782 103 L CB -0.543 41.532 42.059 0.027 0.000 0.914 103 L HN -0.005 nan 8.230 nan 0.000 0.441 104 I N -0.846 119.746 120.570 0.037 0.000 2.179 104 I HA -0.248 3.922 4.170 0.000 0.000 0.242 104 I C 2.515 178.639 176.117 0.011 0.000 1.088 104 I CA 1.033 62.363 61.300 0.051 0.000 1.357 104 I CB -0.324 37.733 38.000 0.096 0.000 1.051 104 I HN 0.205 nan 8.210 nan 0.000 0.409 105 E N 0.337 120.505 120.200 -0.054 0.000 2.058 105 E HA -0.224 4.126 4.350 0.000 0.000 0.194 105 E C 2.193 178.742 176.600 -0.086 0.000 0.997 105 E CA 1.366 57.707 56.400 -0.098 0.000 0.801 105 E CB -0.552 29.046 29.700 -0.170 0.000 0.746 105 E HN 0.574 nan 8.360 nan 0.000 0.450 106 H N 0.391 119.462 119.070 0.002 0.000 2.352 106 H HA -0.073 4.483 4.556 0.000 0.000 0.299 106 H C 2.405 177.740 175.328 0.012 0.000 1.097 106 H CA 1.002 57.049 56.048 -0.002 0.000 1.311 106 H CB -0.374 29.371 29.762 -0.028 0.000 1.377 106 H HN 0.177 nan 8.280 nan 0.000 0.504 107 I N 0.674 121.318 120.570 0.123 0.000 2.252 107 I HA -0.217 3.954 4.170 0.000 0.000 0.245 107 I C 2.431 178.584 176.117 0.061 0.000 1.102 107 I CA 1.116 62.464 61.300 0.081 0.000 1.385 107 I CB -0.118 37.918 38.000 0.060 0.000 1.064 107 I HN 0.093 nan 8.210 nan 0.000 0.414 108 K N 0.551 120.980 120.400 0.048 0.000 2.097 108 K HA -0.111 4.209 4.320 0.000 0.000 0.206 108 K C 1.543 178.168 176.600 0.041 0.000 1.049 108 K CA 1.153 57.462 56.287 0.037 0.000 0.933 108 K CB -0.096 32.419 32.500 0.026 0.000 0.717 108 K HN 0.244 nan 8.250 nan 0.000 0.442 109 N N -0.306 118.425 118.700 0.053 0.000 2.461 109 N HA -0.009 4.731 4.740 0.000 0.000 0.188 109 N C 0.706 176.258 175.510 0.069 0.000 1.134 109 N CA 1.029 54.115 53.050 0.060 0.000 0.878 109 N CB 0.925 39.454 38.487 0.070 0.000 0.972 109 N HN 0.376 nan 8.380 nan 0.000 0.456 110 G N -0.037 108.806 108.800 0.072 0.000 2.136 110 G HA2 -0.289 3.671 3.960 0.000 0.000 0.242 110 G HA3 -0.289 3.671 3.960 0.000 0.000 0.242 110 G C 0.999 175.947 174.900 0.080 0.000 0.989 110 G CA 0.472 45.613 45.100 0.067 0.000 0.682 110 G HN 0.216 nan 8.290 nan 0.000 0.522 111 V N -1.083 118.890 119.914 0.098 0.000 2.490 111 V HA 0.033 4.153 4.120 0.000 0.000 0.250 111 V C 1.531 177.670 176.094 0.075 0.000 1.061 111 V CA 1.844 64.199 62.300 0.092 0.000 1.064 111 V CB -0.072 31.792 31.823 0.067 0.000 0.670 111 V HN 0.398 nan 8.190 nan 0.000 0.461 112 V N 0.574 120.532 119.914 0.074 0.000 2.531 112 V HA 0.410 4.530 4.120 0.000 0.000 0.301 112 V C 0.682 176.815 176.094 0.066 0.000 1.034 112 V CA -0.561 61.779 62.300 0.067 0.000 0.865 112 V CB 1.851 33.707 31.823 0.055 0.000 0.995 112 V HN 0.566 nan 8.190 nan 0.000 0.424 113 R N 2.867 123.408 120.500 0.068 0.000 2.373 113 R HA 0.426 4.766 4.340 0.000 0.000 0.221 113 R C 0.286 176.620 176.300 0.057 0.000 0.893 113 R CA -0.161 55.974 56.100 0.059 0.000 1.049 113 R CB 0.564 30.898 30.300 0.058 0.000 1.119 113 R HN 0.511 nan 8.270 nan 0.000 0.535 114 Q N 0.878 120.723 119.800 0.074 0.000 2.309 114 Q HA 0.505 4.845 4.340 0.000 0.000 0.273 114 Q C -1.740 174.323 176.000 0.104 0.000 1.040 114 Q CA -0.573 55.279 55.803 0.082 0.000 0.834 114 Q CB 1.918 30.734 28.738 0.129 0.000 1.345 114 Q HN 0.296 nan 8.270 nan 0.000 0.414 115 I N 3.562 124.164 120.570 0.054 0.000 2.474 115 I HA 0.437 4.607 4.170 0.000 0.000 0.294 115 I C -1.037 175.094 176.117 0.024 0.000 1.005 115 I CA -0.921 60.419 61.300 0.067 0.000 1.113 115 I CB 1.522 39.525 38.000 0.006 0.000 1.289 115 I HN 0.640 nan 8.210 nan 0.000 0.436 116 Y N 3.534 123.842 120.300 0.013 0.000 2.341 116 Y HA 0.582 5.132 4.550 0.000 0.000 0.338 116 Y C 0.250 176.099 175.900 -0.085 0.000 0.965 116 Y CA -0.343 57.753 58.100 -0.007 0.000 1.108 116 Y CB 2.277 40.818 38.460 0.134 0.000 1.180 116 Y HN 0.452 nan 8.280 nan 0.000 0.458 117 T N 0.192 114.572 114.554 -0.290 0.000 2.802 117 T HA 0.193 4.543 4.350 0.000 0.000 0.311 117 T C 0.342 174.673 174.700 -0.614 0.000 1.405 117 T CA -0.024 61.887 62.100 -0.316 0.000 1.016 117 T CB 1.488 70.281 68.868 -0.125 0.000 1.352 117 T HN 0.557 nan 8.240 nan 0.000 0.498 118 S N 1.074 116.620 115.700 -0.258 0.000 2.441 118 S HA 0.407 4.877 4.470 0.000 0.000 0.224 118 S C 0.914 175.435 174.600 -0.132 0.000 1.043 118 S CA 0.838 58.950 58.200 -0.147 0.000 0.948 118 S CB -0.362 62.850 63.200 0.020 0.000 0.810 118 S HN 1.030 nan 8.310 nan 0.000 0.504 119 G N 0.650 109.383 108.800 -0.112 0.000 2.448 119 G HA2 0.687 4.647 3.960 0.000 0.000 0.324 119 G HA3 0.687 4.647 3.960 0.000 0.000 0.324 119 G C -1.737 173.133 174.900 -0.050 0.000 1.203 119 G CA -0.652 44.405 45.100 -0.071 0.000 0.954 119 G HN 0.405 nan 8.290 nan 0.000 0.480 120 L N 1.703 122.910 121.223 -0.026 0.000 2.541 120 L HA 0.546 4.886 4.340 0.000 0.000 0.266 120 L C 0.037 176.916 176.870 0.015 0.000 0.966 120 L CA -0.768 54.070 54.840 -0.004 0.000 0.871 120 L CB 1.700 43.748 42.059 -0.018 0.000 1.232 120 L HN 0.902 nan 8.230 nan 0.000 0.408 121 R N 2.276 122.799 120.500 0.038 0.000 3.003 121 R HA 0.911 5.251 4.340 0.000 0.000 0.251 121 R C 0.255 176.588 176.300 0.056 0.000 1.265 121 R CA -0.234 55.891 56.100 0.040 0.000 1.026 121 R CB 0.860 31.184 30.300 0.039 0.000 1.307 121 R HN 0.516 nan 8.270 nan 0.000 0.475 122 G N 0.851 109.680 108.800 0.047 0.000 2.598 122 G HA2 -0.353 3.607 3.960 0.000 0.000 0.269 122 G HA3 -0.353 3.607 3.960 0.000 0.000 0.269 122 G C 0.328 175.260 174.900 0.053 0.000 1.289 122 G CA 0.495 45.626 45.100 0.052 0.000 0.926 122 G HN 0.656 nan 8.290 nan 0.000 0.567 123 K N -0.755 119.685 120.400 0.066 0.000 2.103 123 K HA -0.089 4.231 4.320 0.000 0.000 0.207 123 K C 2.695 179.343 176.600 0.080 0.000 1.048 123 K CA 1.674 57.993 56.287 0.054 0.000 0.930 123 K CB -0.260 32.264 32.500 0.040 0.000 0.716 123 K HN 0.351 nan 8.250 nan 0.000 0.444 124 L N 0.823 122.117 121.223 0.118 0.000 2.042 124 L HA -0.106 4.234 4.340 0.000 0.000 0.210 124 L C 2.151 179.055 176.870 0.057 0.000 1.076 124 L CA 2.095 56.993 54.840 0.096 0.000 0.749 124 L CB -0.996 41.127 42.059 0.107 0.000 0.893 124 L HN 0.184 nan 8.230 nan 0.000 0.432 125 G N -1.076 107.753 108.800 0.048 0.000 2.476 125 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 125 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 125 G C 1.408 176.323 174.900 0.025 0.000 1.164 125 G CA 0.959 46.077 45.100 0.029 0.000 0.768 125 G HN 0.566 nan 8.290 nan 0.000 0.560 126 E N 0.262 120.477 120.200 0.025 0.000 2.085 126 E HA -0.122 4.228 4.350 0.000 0.000 0.194 126 E C 2.509 179.119 176.600 0.017 0.000 0.994 126 E CA 1.102 57.511 56.400 0.015 0.000 0.801 126 E CB -0.036 29.668 29.700 0.006 0.000 0.743 126 E HN 0.390 nan 8.360 nan 0.000 0.453 127 E N 0.537 120.752 120.200 0.024 0.000 2.072 127 E HA -0.136 4.214 4.350 0.000 0.000 0.190 127 E C 2.225 178.839 176.600 0.023 0.000 0.982 127 E CA 0.557 56.971 56.400 0.024 0.000 0.803 127 E CB -0.061 29.660 29.700 0.035 0.000 0.755 127 E HN 0.269 nan 8.360 nan 0.000 0.453 128 I N 1.390 121.974 120.570 0.023 0.000 2.127 128 I HA -0.223 3.947 4.170 0.000 0.000 0.241 128 I C 2.291 178.421 176.117 0.020 0.000 1.075 128 I CA 1.124 62.434 61.300 0.017 0.000 1.334 128 I CB -1.244 36.762 38.000 0.010 0.000 1.040 128 I HN -0.023 nan 8.210 nan 0.000 0.405 129 S N 0.952 116.668 115.700 0.026 0.000 2.400 129 S HA -0.133 4.337 4.470 0.000 0.000 0.232 129 S C 2.076 176.697 174.600 0.035 0.000 1.025 129 S CA 1.300 59.524 58.200 0.039 0.000 0.993 129 S CB -0.290 62.935 63.200 0.043 0.000 0.808 129 S HN 0.573 nan 8.310 nan 0.000 0.478 130 A N 0.230 123.063 122.820 0.021 0.000 2.168 130 A HA 0.426 4.746 4.320 0.000 0.000 0.215 130 A C 1.548 179.143 177.584 0.017 0.000 1.152 130 A CA 0.975 53.021 52.037 0.014 0.000 0.716 130 A CB -0.602 18.402 19.000 0.007 0.000 0.794 130 A HN 0.987 nan 8.150 nan 0.000 0.465 131 G N -1.443 107.369 108.800 0.020 0.000 2.173 131 G HA2 -0.070 3.890 3.960 0.000 0.000 0.174 131 G HA3 -0.070 3.890 3.960 0.000 0.000 0.174 131 G C 0.042 174.951 174.900 0.016 0.000 1.025 131 G CA 0.039 45.150 45.100 0.018 0.000 0.706 131 G HN 0.861 nan 8.290 nan 0.000 0.499 135 N N 3.363 122.066 118.700 0.004 0.000 2.444 135 N HA 0.281 5.021 4.740 0.000 0.000 0.271 135 N C -2.692 172.803 175.510 -0.024 0.000 1.069 135 N CA -1.380 51.667 53.050 -0.006 0.000 0.965 135 N CB 1.404 39.893 38.487 0.003 0.000 1.092 135 N HN -0.000 nan 8.380 nan 0.000 0.476 136 P HA 0.024 nan 4.420 nan 0.000 0.271 136 P C -0.265 176.975 177.300 -0.100 0.000 1.220 136 P CA -0.232 62.833 63.100 -0.058 0.000 0.768 136 P CB 0.615 32.280 31.700 -0.058 0.000 0.848 137 V N 4.369 124.223 119.914 -0.100 0.000 2.788 137 V HA -0.073 4.047 4.120 0.000 0.000 0.307 137 V C 0.878 176.838 176.094 -0.225 0.000 1.069 137 V CA 0.379 62.591 62.300 -0.147 0.000 1.173 137 V CB -0.159 31.600 31.823 -0.105 0.000 0.925 137 V HN 0.487 nan 8.190 nan 0.000 0.492 138 Q N 4.484 124.052 119.800 -0.386 0.000 2.360 138 Q HA 0.483 4.823 4.340 0.000 0.000 0.254 138 Q C -0.601 175.200 176.000 -0.331 0.000 0.975 138 Q CA -0.141 55.397 55.803 -0.442 0.000 0.912 138 Q CB 1.616 29.801 28.738 -0.921 0.000 1.212 138 Q HN 0.604 nan 8.270 nan 0.000 0.452 139 I N 4.445 124.888 120.570 -0.212 0.000 2.315 139 I HA 0.160 4.330 4.170 0.000 0.000 0.291 139 I C -0.101 175.960 176.117 -0.094 0.000 1.006 139 I CA -0.619 60.555 61.300 -0.210 0.000 1.265 139 I CB 0.562 38.482 38.000 -0.134 0.000 1.387 139 I HN 0.535 nan 8.210 nan 0.000 0.475 140 H N 3.025 122.103 119.070 0.015 0.000 2.797 140 H HA 0.691 5.247 4.556 0.000 0.000 0.372 140 H C -0.231 175.098 175.328 0.001 0.000 1.168 140 H CA -1.482 54.585 56.048 0.031 0.000 1.163 140 H CB 0.650 30.467 29.762 0.091 0.000 1.778 140 H HN 0.485 nan 8.280 nan 0.000 0.551 141 S N 0.084 115.893 115.700 0.181 0.000 2.617 141 S HA 0.014 4.484 4.470 0.000 0.000 0.259 141 S C 0.713 175.420 174.600 0.179 0.000 1.301 141 S CA -0.372 57.879 58.200 0.084 0.000 0.984 141 S CB 0.366 63.565 63.200 -0.001 0.000 0.954 141 S HN 0.743 nan 8.310 nan 0.000 0.572 142 H N 1.122 120.307 119.070 0.191 0.000 2.319 142 H HA -0.001 4.555 4.556 0.000 0.000 0.299 142 H C 2.390 177.804 175.328 0.144 0.000 1.092 142 H CA 1.843 58.033 56.048 0.238 0.000 1.302 142 H CB -1.124 28.906 29.762 0.446 0.000 1.373 142 H HN 0.824 nan 8.280 nan 0.000 0.497 143 G N -0.267 108.654 108.800 0.202 0.000 2.443 143 G HA2 -0.161 3.799 3.960 0.000 0.000 0.219 143 G HA3 -0.161 3.799 3.960 0.000 0.000 0.219 143 G C 2.022 176.911 174.900 -0.018 0.000 1.131 143 G CA 0.759 45.893 45.100 0.057 0.000 0.775 143 G HN 0.535 nan 8.290 nan 0.000 0.547 144 G N 0.659 109.443 108.800 -0.028 0.000 2.446 144 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 144 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 144 G C 1.742 176.570 174.900 -0.119 0.000 1.168 144 G CA 1.038 46.107 45.100 -0.052 0.000 0.771 144 G HN 0.480 nan 8.290 nan 0.000 0.551 145 R N -0.022 120.295 120.500 -0.305 0.000 2.096 145 R HA -0.119 4.221 4.340 0.000 0.000 0.240 145 R C 2.626 178.780 176.300 -0.242 0.000 1.139 145 R CA 1.990 57.781 56.100 -0.516 0.000 0.952 145 R CB -0.487 29.401 30.300 -0.688 0.000 0.854 145 R HN 0.263 nan 8.270 nan 0.000 0.436 146 V N 1.400 121.229 119.914 -0.143 0.000 2.295 146 V HA -0.259 3.861 4.120 0.000 0.000 0.246 146 V C 2.510 178.484 176.094 -0.200 0.000 1.049 146 V CA 2.195 64.409 62.300 -0.144 0.000 1.024 146 V CB -0.673 31.120 31.823 -0.051 0.000 0.648 146 V HN 0.415 nan 8.190 nan 0.000 0.447 147 K N -0.104 120.215 120.400 -0.135 0.000 2.103 147 K HA -0.166 4.154 4.320 0.000 0.000 0.207 147 K C 2.148 178.674 176.600 -0.123 0.000 1.048 147 K CA 1.539 57.756 56.287 -0.116 0.000 0.930 147 K CB -0.231 32.227 32.500 -0.071 0.000 0.716 147 K HN 0.411 nan 8.250 nan 0.000 0.444 148 L N 0.621 121.775 121.223 -0.114 0.000 2.083 148 L HA -0.190 4.150 4.340 0.000 0.000 0.209 148 L C 2.341 179.110 176.870 -0.167 0.000 1.083 148 L CA 1.054 55.837 54.840 -0.095 0.000 0.752 148 L CB -0.292 41.744 42.059 -0.039 0.000 0.899 148 L HN 0.197 nan 8.230 nan 0.000 0.433 149 I N -0.872 119.553 120.570 -0.242 0.000 2.252 149 I HA -0.273 3.897 4.170 0.000 0.000 0.245 149 I C 2.555 178.440 176.117 -0.386 0.000 1.102 149 I CA 1.197 62.307 61.300 -0.315 0.000 1.385 149 I CB -0.185 37.584 38.000 -0.385 0.000 1.064 149 I HN 0.296 nan 8.210 nan 0.000 0.414 150 Q N 0.067 119.610 119.800 -0.427 0.000 2.172 150 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 150 Q C 2.348 178.251 176.000 -0.161 0.000 0.964 150 Q CA 1.759 57.352 55.803 -0.350 0.000 0.855 150 Q CB -0.090 28.490 28.738 -0.263 0.000 0.918 150 Q HN 0.547 nan 8.270 nan 0.000 0.444 151 S N -1.010 114.614 115.700 -0.127 0.000 2.481 151 S HA 0.009 4.479 4.470 0.000 0.000 0.231 151 S C 1.534 176.100 174.600 -0.057 0.000 0.996 151 S CA 0.835 58.994 58.200 -0.068 0.000 0.942 151 S CB 0.022 63.195 63.200 -0.046 0.000 0.768 151 S HN 0.547 nan 8.310 nan 0.000 0.520 152 G N 1.001 109.751 108.800 -0.083 0.000 2.179 152 G HA2 -0.344 3.616 3.960 0.000 0.000 0.260 152 G HA3 -0.344 3.616 3.960 0.000 0.000 0.260 152 G C 0.573 175.438 174.900 -0.057 0.000 0.977 152 G CA 0.620 45.682 45.100 -0.063 0.000 0.641 152 G HN 0.622 nan 8.290 nan 0.000 0.533 153 E N -0.807 119.358 120.200 -0.058 0.000 2.106 153 E HA 0.060 4.410 4.350 0.000 0.000 0.192 153 E C 0.953 177.487 176.600 -0.110 0.000 0.984 153 E CA 0.787 57.164 56.400 -0.038 0.000 0.806 153 E CB -0.023 29.685 29.700 0.013 0.000 0.750 153 E HN 0.586 nan 8.360 nan 0.000 0.458 154 L N 2.432 123.541 121.223 -0.190 0.000 2.324 154 L HA 0.345 4.685 4.340 0.000 0.000 0.274 154 L C -1.665 175.083 176.870 -0.203 0.000 1.012 154 L CA -0.432 54.219 54.840 -0.316 0.000 0.859 154 L CB 1.302 43.072 42.059 -0.482 0.000 1.224 154 L HN -0.096 nan 8.230 nan 0.000 0.429 155 N N 6.675 125.285 118.700 -0.149 0.000 2.511 155 N HA 0.373 5.113 4.740 0.000 0.000 0.249 155 N C -0.694 174.769 175.510 -0.078 0.000 0.971 155 N CA -0.277 52.718 53.050 -0.091 0.000 0.938 155 N CB 1.707 40.160 38.487 -0.057 0.000 1.131 155 N HN 0.540 nan 8.380 nan 0.000 0.505 156 I N 1.747 122.274 120.570 -0.072 0.000 2.436 156 I HA 0.008 4.178 4.170 0.000 0.000 0.289 156 I C 1.369 177.445 176.117 -0.068 0.000 1.083 156 I CA -0.064 61.195 61.300 -0.069 0.000 1.372 156 I CB 0.707 38.666 38.000 -0.069 0.000 1.408 156 I HN 0.331 nan 8.210 nan 0.000 0.516 157 D N 5.081 125.441 120.400 -0.068 0.000 2.120 157 D HA 0.010 4.650 4.640 0.000 0.000 0.202 157 D C 0.284 176.509 176.300 -0.126 0.000 0.972 157 D CA 1.513 55.472 54.000 -0.069 0.000 0.837 157 D CB 0.484 41.264 40.800 -0.034 0.000 0.989 157 D HN 0.234 nan 8.370 nan 0.000 0.469 158 V N 0.606 120.410 119.914 -0.183 0.000 2.623 158 V HA 0.553 4.673 4.120 0.000 0.000 0.304 158 V C -0.535 175.265 176.094 -0.490 0.000 1.054 158 V CA -1.104 60.977 62.300 -0.366 0.000 0.882 158 V CB 1.814 33.373 31.823 -0.440 0.000 1.002 158 V HN 0.090 nan 8.190 nan 0.000 0.424 159 A N 4.370 126.875 122.820 -0.525 0.000 2.260 159 A HA 0.841 5.161 4.320 0.000 0.000 0.314 159 A C -0.887 176.322 177.584 -0.624 0.000 1.257 159 A CA -0.252 51.515 52.037 -0.450 0.000 0.871 159 A CB 0.128 18.987 19.000 -0.235 0.000 1.166 159 A HN 0.658 nan 8.150 nan 0.000 0.522 160 F N 3.181 122.881 119.950 -0.415 0.000 2.351 160 F HA 0.345 4.872 4.527 0.000 0.000 0.362 160 F C -0.051 175.705 175.800 -0.072 0.000 1.131 160 F CA -0.132 57.686 58.000 -0.304 0.000 1.187 160 F CB 0.709 39.429 39.000 -0.465 0.000 1.434 160 F HN 0.353 nan 8.300 nan 0.000 0.553 161 L N 3.298 124.590 121.223 0.116 0.000 2.283 161 L HA 0.464 4.804 4.340 0.000 0.000 0.281 161 L C 0.856 177.894 176.870 0.280 0.000 1.033 161 L CA -0.789 54.197 54.840 0.242 0.000 0.848 161 L CB 0.932 43.066 42.059 0.126 0.000 1.226 161 L HN 0.598 nan 8.230 nan 0.000 0.429 162 G N 2.895 111.936 108.800 0.403 0.000 2.340 162 G HA2 0.408 4.368 3.960 0.000 0.000 0.245 162 G HA3 0.408 4.368 3.960 0.000 0.000 0.245 162 G C -0.173 175.032 174.900 0.508 0.000 1.294 162 G CA -0.106 45.212 45.100 0.364 0.000 0.896 162 G HN 0.468 nan 8.290 nan 0.000 0.522 163 V N 0.519 120.571 119.914 0.230 0.000 2.925 163 V HA 0.661 4.781 4.120 0.000 0.000 0.311 163 V C -2.076 174.045 176.094 0.046 0.000 1.104 163 V CA -2.079 60.330 62.300 0.182 0.000 0.954 163 V CB 2.463 34.295 31.823 0.015 0.000 1.022 163 V HN 0.438 nan 8.190 nan 0.000 0.427 164 P HA 0.086 nan 4.420 nan 0.000 0.222 164 P C 0.478 177.727 177.300 -0.084 0.000 1.153 164 P CA 1.122 64.201 63.100 -0.036 0.000 0.798 164 P CB -0.021 31.687 31.700 0.013 0.000 0.796 165 C N -1.194 118.053 119.300 -0.089 0.000 3.082 165 C HA 0.819 5.279 4.460 0.000 0.000 0.324 165 C C -0.692 174.247 174.990 -0.085 0.000 1.210 165 C CA -1.110 57.852 59.018 -0.093 0.000 1.366 165 C CB 1.053 28.770 27.740 -0.039 0.000 1.756 165 C HN 0.522 nan 8.230 nan 0.000 0.485 166 C N 2.039 121.299 119.300 -0.066 0.000 3.303 166 C HA 0.841 5.301 4.460 0.000 0.000 0.340 166 C C -0.613 174.491 174.990 0.190 0.000 1.274 166 C CA -0.107 58.926 59.018 0.025 0.000 1.234 166 C CB 0.862 28.597 27.740 -0.008 0.000 1.532 166 C HN 1.307 nan 8.230 nan 0.000 0.483 167 D N 0.738 121.288 120.400 0.251 0.000 2.411 167 D HA 0.274 4.914 4.640 0.000 0.000 0.251 167 D C 0.874 177.469 176.300 0.491 0.000 1.201 167 D CA -0.321 53.905 54.000 0.376 0.000 0.996 167 D CB 0.443 41.453 40.800 0.350 0.000 1.101 167 D HN 0.766 nan 8.370 nan 0.000 0.504 168 E N -0.788 119.666 120.200 0.423 0.000 2.333 168 E HA -0.131 4.219 4.350 0.000 0.000 0.198 168 E C 1.302 178.136 176.600 0.391 0.000 1.007 168 E CA 0.615 57.205 56.400 0.317 0.000 0.845 168 E CB -0.349 29.380 29.700 0.049 0.000 0.766 168 E HN 0.491 nan 8.360 nan 0.000 0.507 169 F N -0.201 119.865 119.950 0.193 0.000 2.754 169 F HA 0.163 4.690 4.527 0.000 0.000 0.297 169 F C 1.389 177.266 175.800 0.128 0.000 1.122 169 F CA 0.273 58.350 58.000 0.129 0.000 1.400 169 F CB 0.975 40.086 39.000 0.184 0.000 1.117 169 F HN 0.156 nan 8.300 nan 0.000 0.587 170 G N 0.323 109.281 108.800 0.264 0.000 2.175 170 G HA2 -0.227 3.733 3.960 0.000 0.000 0.182 170 G HA3 -0.227 3.733 3.960 0.000 0.000 0.182 170 G C -0.521 174.433 174.900 0.090 0.000 1.003 170 G CA -0.623 44.545 45.100 0.113 0.000 0.666 170 G HN 0.182 nan 8.290 nan 0.000 0.506 171 N N 1.558 120.349 118.700 0.152 0.000 2.402 171 N HA 0.556 5.296 4.740 0.000 0.000 0.252 171 N C 0.208 175.737 175.510 0.032 0.000 1.118 171 N CA 0.975 54.072 53.050 0.078 0.000 0.945 171 N CB 1.446 39.978 38.487 0.076 0.000 1.147 171 N HN 0.768 nan 8.380 nan 0.000 0.495 172 A N 2.739 125.542 122.820 -0.029 0.000 2.374 172 A HA 0.680 5.000 4.320 0.000 0.000 0.317 172 A C -0.189 177.310 177.584 -0.143 0.000 1.094 172 A CA -0.802 51.192 52.037 -0.072 0.000 0.765 172 A CB 1.141 20.094 19.000 -0.079 0.000 1.268 172 A HN 0.764 nan 8.150 nan 0.000 0.438 173 N N -0.588 117.995 118.700 -0.195 0.000 2.774 173 N HA 0.560 5.300 4.740 0.000 0.000 0.264 173 N C 0.170 175.386 175.510 -0.491 0.000 1.415 173 N CA -0.132 52.682 53.050 -0.393 0.000 0.815 173 N CB 1.089 39.339 38.487 -0.394 0.000 1.514 173 N HN 0.514 nan 8.380 nan 0.000 0.523 174 G N -1.132 107.146 108.800 -0.869 0.000 3.518 174 G HA2 0.212 4.172 3.960 0.000 0.000 0.273 174 G HA3 0.212 4.172 3.960 0.000 0.000 0.273 174 G C -0.650 173.915 174.900 -0.559 0.000 1.199 174 G CA -0.201 44.528 45.100 -0.619 0.000 0.899 174 G HN 0.451 nan 8.290 nan 0.000 0.533 175 F N 0.147 120.058 119.950 -0.065 0.000 2.706 175 F HA 0.389 4.916 4.527 0.000 0.000 0.308 175 F C 1.084 176.862 175.800 -0.037 0.000 1.095 175 F CA -0.828 57.134 58.000 -0.064 0.000 1.244 175 F CB 0.341 39.282 39.000 -0.097 0.000 1.063 175 F HN -0.065 nan 8.300 nan 0.000 0.582 176 S N -1.215 114.528 115.700 0.073 0.000 2.740 176 S HA 0.795 5.265 4.470 0.000 0.000 0.300 176 S C 0.316 174.923 174.600 0.012 0.000 1.147 176 S CA -0.373 57.857 58.200 0.051 0.000 0.871 176 S CB 1.582 64.813 63.200 0.051 0.000 1.173 176 S HN 0.516 nan 8.310 nan 0.000 0.510 177 G N 1.313 110.118 108.800 0.009 0.000 2.499 177 G HA2 -0.198 3.762 3.960 0.000 0.000 0.232 177 G HA3 -0.198 3.762 3.960 0.000 0.000 0.232 177 G C -0.016 174.881 174.900 -0.005 0.000 1.251 177 G CA 0.489 45.581 45.100 -0.014 0.000 0.917 177 G HN 0.636 nan 8.290 nan 0.000 0.580 178 K N -0.396 119.991 120.400 -0.022 0.000 2.216 178 K HA 0.349 4.669 4.320 0.000 0.000 0.207 178 K C 1.645 178.246 176.600 0.001 0.000 1.041 178 K CA 0.919 57.197 56.287 -0.015 0.000 0.966 178 K CB 0.095 32.574 32.500 -0.036 0.000 0.955 178 K HN 0.261 nan 8.250 nan 0.000 0.468 179 S N 2.727 118.417 115.700 -0.018 0.000 4.069 179 S HA 0.136 4.606 4.470 0.000 0.000 0.192 179 S C -0.381 174.317 174.600 0.164 0.000 1.441 179 S CA -0.160 58.065 58.200 0.040 0.000 0.994 179 S CB -0.395 62.723 63.200 -0.136 0.000 1.456 179 S HN 0.147 nan 8.310 nan 0.000 0.458 180 R N 1.196 121.756 120.500 0.100 0.000 2.853 180 R HA 0.030 4.370 4.340 0.000 0.000 0.238 180 R C 1.393 177.742 176.300 0.080 0.000 1.538 180 R CA -0.217 55.932 56.100 0.081 0.000 1.166 180 R CB -0.898 29.449 30.300 0.078 0.000 1.201 180 R HN 0.711 nan 8.270 nan 0.000 0.606 181 C N -0.470 118.875 119.300 0.076 0.000 2.456 181 C HA 0.233 4.694 4.460 0.000 0.000 0.279 181 C C 1.518 176.446 174.990 -0.104 0.000 1.427 181 C CA 0.002 59.002 59.018 -0.030 0.000 1.778 181 C CB -0.980 26.619 27.740 -0.234 0.000 1.842 181 C HN 0.936 nan 8.230 nan 0.000 0.531 182 G N 0.564 109.295 108.800 -0.116 0.000 2.596 182 G HA2 -0.205 3.755 3.960 0.000 0.000 0.258 182 G HA3 -0.205 3.755 3.960 0.000 0.000 0.258 182 G C 0.098 174.854 174.900 -0.240 0.000 1.207 182 G CA 0.333 45.398 45.100 -0.058 0.000 0.954 182 G HN 1.266 nan 8.290 nan 0.000 0.551 183 S N 0.288 115.889 115.700 -0.166 0.000 2.533 183 S HA 0.463 4.933 4.470 0.000 0.000 0.282 183 S C 1.034 175.430 174.600 -0.340 0.000 1.304 183 S CA 0.230 58.296 58.200 -0.223 0.000 1.063 183 S CB 0.211 63.302 63.200 -0.183 0.000 0.881 183 S HN 0.840 nan 8.310 nan 0.000 0.493 184 L N 5.341 126.344 121.223 -0.366 0.000 2.984 184 L HA 0.311 4.651 4.340 0.000 0.000 0.246 184 L C 2.036 178.676 176.870 -0.383 0.000 1.268 184 L CA -0.244 54.340 54.840 -0.427 0.000 1.054 184 L CB -0.399 41.393 42.059 -0.444 0.000 1.393 184 L HN 0.964 nan 8.230 nan 0.000 0.532 185 G N -0.067 108.490 108.800 -0.406 0.000 2.505 185 G HA2 -0.325 3.636 3.960 0.000 0.000 0.220 185 G HA3 -0.325 3.636 3.960 0.000 0.000 0.220 185 G C 1.143 175.785 174.900 -0.429 0.000 1.145 185 G CA 1.091 45.922 45.100 -0.449 0.000 0.761 185 G HN 0.362 nan 8.290 nan 0.000 0.571 186 Y N 0.870 121.036 120.300 -0.222 0.000 2.286 186 Y HA 0.244 4.794 4.550 0.000 0.000 0.293 186 Y C 3.068 178.905 175.900 -0.104 0.000 1.124 186 Y CA 0.424 58.448 58.100 -0.127 0.000 1.178 186 Y CB -0.536 37.870 38.460 -0.091 0.000 1.010 186 Y HN 0.244 nan 8.280 nan 0.000 0.536 187 A N 0.097 122.850 122.820 -0.112 0.000 2.019 187 A HA -0.243 4.077 4.320 0.000 0.000 0.219 187 A C 2.045 179.560 177.584 -0.115 0.000 1.164 187 A CA 1.564 53.498 52.037 -0.171 0.000 0.644 187 A CB -0.632 18.075 19.000 -0.488 0.000 0.805 187 A HN 0.540 nan 8.150 nan 0.000 0.449 188 Q N -0.638 119.081 119.800 -0.135 0.000 2.291 188 Q HA -0.082 4.259 4.340 0.000 0.000 0.206 188 Q C 1.907 177.877 176.000 -0.051 0.000 0.976 188 Q CA 1.332 57.068 55.803 -0.112 0.000 0.875 188 Q CB -0.184 28.474 28.738 -0.133 0.000 0.927 188 Q HN 0.559 nan 8.270 nan 0.000 0.450 189 V N 0.724 120.648 119.914 0.017 0.000 2.446 189 V HA -0.173 3.947 4.120 0.000 0.000 0.244 189 V C 1.171 177.364 176.094 0.164 0.000 1.039 189 V CA 1.655 64.035 62.300 0.134 0.000 1.045 189 V CB -0.243 31.671 31.823 0.150 0.000 0.681 189 V HN 0.260 nan 8.190 nan 0.000 0.459 190 D N 1.135 121.583 120.400 0.080 0.000 2.117 190 D HA -0.091 4.549 4.640 0.000 0.000 0.198 190 D C 2.223 178.516 176.300 -0.011 0.000 0.982 190 D CA 1.539 55.566 54.000 0.046 0.000 0.828 190 D CB -0.464 40.349 40.800 0.022 0.000 0.967 190 D HN 0.390 nan 8.370 nan 0.000 0.464 191 A N 0.564 123.353 122.820 -0.052 0.000 1.908 191 A HA -0.276 4.044 4.320 0.000 0.000 0.218 191 A C 2.107 179.613 177.584 -0.130 0.000 1.181 191 A CA 1.761 53.740 52.037 -0.097 0.000 0.627 191 A CB -0.668 18.267 19.000 -0.109 0.000 0.818 191 A HN 0.240 nan 8.150 nan 0.000 0.445 192 Q N -2.634 117.063 119.800 -0.172 0.000 2.187 192 Q HA -0.113 4.227 4.340 0.000 0.000 0.199 192 Q C 1.135 176.888 176.000 -0.412 0.000 0.957 192 Q CA 1.322 56.915 55.803 -0.351 0.000 0.857 192 Q CB 0.039 28.447 28.738 -0.551 0.000 0.929 192 Q HN 0.811 nan 8.270 nan 0.000 0.453 193 Y N -1.273 118.988 120.300 -0.066 0.000 2.483 193 Y HA 0.386 4.936 4.550 0.000 0.000 0.258 193 Y C 0.533 176.389 175.900 -0.074 0.000 1.083 193 Y CA -0.062 58.000 58.100 -0.063 0.000 1.283 193 Y CB 0.458 38.884 38.460 -0.057 0.000 1.178 193 Y HN -0.016 nan 8.280 nan 0.000 0.515 194 A N 1.037 123.883 122.820 0.044 0.000 2.462 194 A HA 0.161 4.481 4.320 0.000 0.000 0.243 194 A C 1.249 178.800 177.584 -0.055 0.000 1.076 194 A CA -0.368 51.652 52.037 -0.029 0.000 0.773 194 A CB 0.516 19.463 19.000 -0.087 0.000 1.010 194 A HN 0.133 nan 8.150 nan 0.000 0.493 195 K N 0.505 120.871 120.400 -0.058 0.000 2.057 195 K HA -0.095 4.226 4.320 0.000 0.000 0.207 195 K C 0.631 177.175 176.600 -0.092 0.000 1.049 195 K CA 1.225 57.475 56.287 -0.062 0.000 0.931 195 K CB -0.693 31.778 32.500 -0.049 0.000 0.714 195 K HN 0.675 nan 8.250 nan 0.000 0.440 196 C N 0.904 120.127 119.300 -0.128 0.000 2.431 196 C HA 0.540 5.000 4.460 0.000 0.000 0.321 196 C C -0.859 173.994 174.990 -0.228 0.000 1.202 196 C CA -0.764 58.155 59.018 -0.165 0.000 1.398 196 C CB 0.925 28.569 27.740 -0.160 0.000 2.047 196 C HN 0.075 nan 8.230 nan 0.000 0.465 197 V N 6.843 126.630 119.914 -0.212 0.000 2.378 197 V HA 0.488 4.608 4.120 0.000 0.000 0.288 197 V C -0.249 175.707 176.094 -0.230 0.000 1.016 197 V CA -0.361 61.803 62.300 -0.226 0.000 0.840 197 V CB 1.523 33.248 31.823 -0.163 0.000 0.994 197 V HN 0.728 nan 8.190 nan 0.000 0.431 198 V N 6.582 126.312 119.914 -0.306 0.000 2.384 198 V HA 0.470 4.590 4.120 0.000 0.000 0.287 198 V C -0.075 175.950 176.094 -0.115 0.000 1.020 198 V CA -0.501 61.661 62.300 -0.230 0.000 0.850 198 V CB 1.689 33.298 31.823 -0.356 0.000 0.987 198 V HN 0.610 nan 8.190 nan 0.000 0.436 199 L N 5.756 126.947 121.223 -0.052 0.000 2.309 199 L HA 0.561 4.901 4.340 0.000 0.000 0.282 199 L C -0.906 175.961 176.870 -0.006 0.000 1.036 199 L CA -0.652 54.175 54.840 -0.021 0.000 0.806 199 L CB 1.730 43.766 42.059 -0.038 0.000 1.220 199 L HN 0.473 nan 8.230 nan 0.000 0.429 200 L N 2.930 124.161 121.223 0.013 0.000 2.324 200 L HA 0.377 4.717 4.340 0.000 0.000 0.274 200 L C 0.220 177.039 176.870 -0.086 0.000 1.012 200 L CA 0.209 55.041 54.840 -0.014 0.000 0.859 200 L CB 1.602 43.691 42.059 0.049 0.000 1.224 200 L HN 0.493 nan 8.230 nan 0.000 0.429 201 T N 0.415 114.845 114.554 -0.208 0.000 2.943 201 T HA 0.355 4.705 4.350 0.000 0.000 0.284 201 T C 0.881 175.392 174.700 -0.314 0.000 1.015 201 T CA -0.340 61.584 62.100 -0.293 0.000 1.042 201 T CB 1.167 69.743 68.868 -0.486 0.000 1.055 201 T HN 0.807 nan 8.240 nan 0.000 0.500 202 E N 1.235 121.273 120.200 -0.271 0.000 2.490 202 E HA 0.287 4.637 4.350 0.000 0.000 0.209 202 E C 0.288 176.750 176.600 -0.231 0.000 0.971 202 E CA -0.233 56.033 56.400 -0.224 0.000 0.988 202 E CB 0.784 30.386 29.700 -0.164 0.000 1.029 202 E HN 0.581 nan 8.360 nan 0.000 0.496 203 E N 0.341 120.369 120.200 -0.286 0.000 2.290 203 E HA 0.260 4.610 4.350 0.000 0.000 0.274 203 E C -1.777 174.673 176.600 -0.250 0.000 0.889 203 E CA -0.774 55.506 56.400 -0.200 0.000 0.760 203 E CB 1.271 30.930 29.700 -0.069 0.000 1.206 203 E HN 0.085 nan 8.360 nan 0.000 0.419 204 W N 3.975 125.291 121.300 0.025 0.000 2.316 204 W HA 0.426 5.086 4.660 0.000 0.000 0.321 204 W C -0.054 176.488 176.519 0.038 0.000 1.203 204 W CA -0.492 56.875 57.345 0.036 0.000 1.214 204 W CB 1.172 30.653 29.460 0.036 0.000 1.169 204 W HN 0.264 nan 8.180 nan 0.000 0.561 205 V N -0.675 119.426 119.914 0.311 0.000 3.001 205 V HA 0.461 4.581 4.120 0.000 0.000 0.314 205 V C -0.335 175.879 176.094 0.201 0.000 1.099 205 V CA -1.620 60.798 62.300 0.196 0.000 0.989 205 V CB 1.602 33.501 31.823 0.126 0.000 1.040 205 V HN 0.606 nan 8.190 nan 0.000 0.434 206 E N 1.182 121.468 120.200 0.143 0.000 2.373 206 E HA 0.225 4.575 4.350 0.000 0.000 0.267 206 E C -1.097 175.596 176.600 0.155 0.000 1.032 206 E CA -0.531 55.952 56.400 0.138 0.000 0.889 206 E CB 0.813 30.569 29.700 0.094 0.000 0.984 206 E HN 0.663 nan 8.360 nan 0.000 0.425 207 F N 6.088 126.060 119.950 0.037 0.000 2.495 207 F HA 0.242 4.769 4.527 0.000 0.000 0.365 207 F C -1.797 174.011 175.800 0.012 0.000 1.090 207 F CA -1.452 56.562 58.000 0.024 0.000 1.235 207 F CB 0.614 39.591 39.000 -0.038 0.000 1.119 207 F HN 0.307 nan 8.300 nan 0.000 0.562 208 P HA 0.196 nan 4.420 nan 0.000 0.300 208 P C -1.441 175.700 177.300 -0.264 0.000 1.326 208 P CA -0.666 61.898 63.100 -0.893 0.000 0.844 208 P CB 1.149 32.217 31.700 -1.052 0.000 0.992 209 N N 2.336 120.959 118.700 -0.128 0.000 2.452 209 N HA 0.019 4.760 4.740 0.000 0.000 0.266 209 N C -1.350 174.184 175.510 0.041 0.000 1.209 209 N CA 0.206 53.257 53.050 0.001 0.000 0.929 209 N CB -0.331 38.175 38.487 0.032 0.000 1.063 209 N HN 0.410 nan 8.380 nan 0.000 0.472 210 Y N 5.032 125.304 120.300 -0.047 0.000 2.376 210 Y HA 0.584 5.134 4.550 0.000 0.000 0.340 210 Y C -2.352 173.569 175.900 0.035 0.000 0.965 210 Y CA -2.197 55.887 58.100 -0.027 0.000 1.078 210 Y CB 1.261 39.690 38.460 -0.052 0.000 1.193 210 Y HN 0.537 nan 8.280 nan 0.000 0.452 211 P HA 0.414 nan 4.420 nan 0.000 0.276 211 P C -1.472 175.720 177.300 -0.179 0.000 1.244 211 P CA -0.569 62.145 63.100 -0.643 0.000 0.801 211 P CB 1.118 32.473 31.700 -0.575 0.000 1.006 212 A N 1.267 124.032 122.820 -0.092 0.000 2.736 212 A HA 0.358 4.678 4.320 0.000 0.000 0.335 212 A C 1.230 178.764 177.584 -0.082 0.000 1.446 212 A CA -0.207 51.796 52.037 -0.057 0.000 1.028 212 A CB -0.536 18.461 19.000 -0.006 0.000 1.154 212 A HN 0.402 nan 8.150 nan 0.000 0.507 213 S N 1.565 117.189 115.700 -0.127 0.000 2.368 213 S HA 0.045 4.515 4.470 0.000 0.000 0.224 213 S C 0.819 175.335 174.600 -0.140 0.000 1.029 213 S CA 0.850 58.960 58.200 -0.150 0.000 0.988 213 S CB -0.193 62.868 63.200 -0.230 0.000 0.838 213 S HN 0.712 nan 8.310 nan 0.000 0.462 214 I N 1.489 121.978 120.570 -0.135 0.000 2.359 214 I HA 0.500 4.670 4.170 0.000 0.000 0.294 214 I C -0.008 176.068 176.117 -0.069 0.000 0.987 214 I CA -0.743 60.492 61.300 -0.109 0.000 1.225 214 I CB 1.437 39.368 38.000 -0.115 0.000 1.366 214 I HN 0.097 nan 8.210 nan 0.000 0.466 215 A N 5.126 127.911 122.820 -0.057 0.000 2.306 215 A HA 0.323 4.644 4.320 0.000 0.000 0.330 215 A C 0.973 178.546 177.584 -0.017 0.000 1.146 215 A CA -0.618 51.406 52.037 -0.022 0.000 0.827 215 A CB 1.021 20.007 19.000 -0.024 0.000 1.178 215 A HN 0.866 nan 8.150 nan 0.000 0.490 216 Q N 0.867 120.691 119.800 0.039 0.000 2.234 216 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 216 Q C 0.291 176.213 176.000 -0.131 0.000 0.980 216 Q CA 1.863 57.673 55.803 0.012 0.000 0.869 216 Q CB -0.378 28.500 28.738 0.233 0.000 0.912 216 Q HN 0.783 nan 8.270 nan 0.000 0.436 217 D N -0.081 120.270 120.400 -0.082 0.000 2.319 217 D HA -0.068 4.572 4.640 0.000 0.000 0.230 217 D C 0.936 177.163 176.300 -0.121 0.000 1.094 217 D CA 0.156 54.088 54.000 -0.113 0.000 0.856 217 D CB 0.146 40.911 40.800 -0.059 0.000 0.915 217 D HN 0.491 nan 8.370 nan 0.000 0.517 218 Q N -0.246 119.481 119.800 -0.121 0.000 2.245 218 Q HA 0.199 4.539 4.340 0.000 0.000 0.236 218 Q C -0.153 175.766 176.000 -0.135 0.000 0.842 218 Q CA 0.023 55.752 55.803 -0.125 0.000 0.945 218 Q CB 2.120 30.790 28.738 -0.114 0.000 1.122 218 Q HN 0.092 nan 8.270 nan 0.000 0.506 219 V N 1.671 121.497 119.914 -0.147 0.000 2.398 219 V HA 0.125 4.245 4.120 0.000 0.000 0.286 219 V C 0.254 176.240 176.094 -0.179 0.000 1.026 219 V CA -0.297 61.917 62.300 -0.144 0.000 0.868 219 V CB 1.716 33.475 31.823 -0.106 0.000 0.982 219 V HN 0.147 nan 8.190 nan 0.000 0.443 220 D N 3.303 123.605 120.400 -0.164 0.000 2.269 220 D HA 0.205 4.845 4.640 0.000 0.000 0.220 220 D C 0.173 176.392 176.300 -0.134 0.000 0.962 220 D CA 1.002 54.901 54.000 -0.169 0.000 0.884 220 D CB 0.798 41.504 40.800 -0.156 0.000 1.023 220 D HN 0.305 nan 8.370 nan 0.000 0.484 221 L N 0.677 121.839 121.223 -0.102 0.000 2.388 221 L HA 0.533 4.873 4.340 0.000 0.000 0.264 221 L C -0.864 176.003 176.870 -0.004 0.000 0.998 221 L CA -0.718 54.093 54.840 -0.047 0.000 0.817 221 L CB 2.928 44.958 42.059 -0.049 0.000 1.338 221 L HN -0.202 nan 8.230 nan 0.000 0.414 222 I N 2.130 122.743 120.570 0.071 0.000 2.569 222 I HA 0.559 4.729 4.170 0.000 0.000 0.290 222 I C -1.088 175.137 176.117 0.180 0.000 1.088 222 I CA -0.841 60.529 61.300 0.116 0.000 1.047 222 I CB 2.489 40.617 38.000 0.215 0.000 1.237 222 I HN 0.230 nan 8.210 nan 0.000 0.421 223 V N 5.763 125.733 119.914 0.094 0.000 2.735 223 V HA 0.431 4.551 4.120 0.000 0.000 0.310 223 V C -0.711 175.371 176.094 -0.020 0.000 1.061 223 V CA -0.314 62.054 62.300 0.113 0.000 0.913 223 V CB 2.186 34.065 31.823 0.094 0.000 1.005 223 V HN 0.889 nan 8.190 nan 0.000 0.428 224 Q N 4.049 123.866 119.800 0.027 0.000 2.267 224 Q HA 0.643 4.983 4.340 0.000 0.000 0.255 224 Q C -0.811 175.159 176.000 -0.050 0.000 0.923 224 Q CA -0.415 55.313 55.803 -0.125 0.000 0.925 224 Q CB 1.736 30.456 28.738 -0.030 0.000 1.195 224 Q HN 0.891 nan 8.270 nan 0.000 0.417 225 V N 0.641 120.496 119.914 -0.099 0.000 3.113 225 V HA 0.350 4.470 4.120 0.000 0.000 0.316 225 V C 0.337 176.384 176.094 -0.079 0.000 1.125 225 V CA -0.533 61.726 62.300 -0.069 0.000 1.026 225 V CB 1.716 33.496 31.823 -0.072 0.000 1.080 225 V HN 0.918 nan 8.190 nan 0.000 0.444 226 D N 0.480 120.843 120.400 -0.062 0.000 2.084 226 D HA 0.016 4.656 4.640 0.000 0.000 0.196 226 D C 0.506 176.753 176.300 -0.088 0.000 0.985 226 D CA 1.706 55.670 54.000 -0.060 0.000 0.826 226 D CB 0.360 41.134 40.800 -0.043 0.000 0.978 226 D HN 0.815 nan 8.370 nan 0.000 0.456 227 E N -1.564 118.569 120.200 -0.112 0.000 2.343 227 E HA 0.259 4.609 4.350 0.000 0.000 0.278 227 E C 0.107 176.575 176.600 -0.221 0.000 0.910 227 E CA -0.368 55.937 56.400 -0.158 0.000 0.757 227 E CB 2.705 32.327 29.700 -0.130 0.000 1.218 227 E HN -0.046 nan 8.360 nan 0.000 0.435 228 V N -0.618 119.079 119.914 -0.361 0.000 3.523 228 V HA 0.521 4.641 4.120 0.000 0.000 0.255 228 V C 0.574 176.217 176.094 -0.752 0.000 1.226 228 V CA 1.017 62.986 62.300 -0.551 0.000 1.092 228 V CB 0.564 31.977 31.823 -0.685 0.000 0.817 228 V HN 0.538 nan 8.190 nan 0.000 0.458 229 G N -0.447 107.969 108.800 -0.640 0.000 3.166 229 G HA2 0.434 4.394 3.960 0.000 0.000 0.267 229 G HA3 0.434 4.394 3.960 0.000 0.000 0.267 229 G C -1.797 173.012 174.900 -0.152 0.000 1.256 229 G CA 0.035 44.916 45.100 -0.364 0.000 0.859 229 G HN 0.083 nan 8.290 nan 0.000 0.590 230 D N 0.287 120.663 120.400 -0.040 0.000 2.473 230 D HA 0.375 5.015 4.640 0.000 0.000 0.226 230 D C -1.516 174.787 176.300 0.005 0.000 1.089 230 D CA -1.826 52.163 54.000 -0.017 0.000 0.883 230 D CB 1.916 42.721 40.800 0.008 0.000 1.029 230 D HN -0.152 nan 8.370 nan 0.000 0.517 231 P HA -0.200 nan 4.420 nan 0.000 0.214 231 P C 1.184 178.498 177.300 0.023 0.000 1.163 231 P CA 1.521 64.623 63.100 0.004 0.000 0.889 231 P CB 0.186 31.879 31.700 -0.013 0.000 0.790 232 E N -0.038 120.173 120.200 0.018 0.000 2.085 232 E HA -0.216 4.134 4.350 0.000 0.000 0.194 232 E C 1.764 178.385 176.600 0.035 0.000 0.994 232 E CA 1.119 57.534 56.400 0.024 0.000 0.801 232 E CB -0.694 29.017 29.700 0.019 0.000 0.743 232 E HN 0.169 nan 8.360 nan 0.000 0.453 233 K N 0.239 120.663 120.400 0.040 0.000 2.098 233 K HA 0.041 4.361 4.320 0.000 0.000 0.203 233 K C 2.249 178.889 176.600 0.068 0.000 1.051 233 K CA 0.300 56.618 56.287 0.052 0.000 0.957 233 K CB -0.146 32.384 32.500 0.051 0.000 0.738 233 K HN 0.188 nan 8.250 nan 0.000 0.447 234 I N 2.192 122.807 120.570 0.076 0.000 2.194 234 I HA -0.239 3.932 4.170 0.000 0.000 0.246 234 I C 2.183 178.349 176.117 0.081 0.000 1.093 234 I CA 1.947 63.304 61.300 0.095 0.000 1.355 234 I CB -1.079 37.000 38.000 0.132 0.000 1.046 234 I HN 0.260 nan 8.210 nan 0.000 0.413 235 T N -1.373 113.221 114.554 0.068 0.000 3.100 235 T HA 0.314 4.664 4.350 0.000 0.000 0.253 235 T C 0.972 175.706 174.700 0.057 0.000 1.118 235 T CA 0.183 62.320 62.100 0.061 0.000 1.058 235 T CB -0.357 68.542 68.868 0.052 0.000 0.953 235 T HN 0.266 nan 8.240 nan 0.000 0.515 236 A N 1.415 124.269 122.820 0.057 0.000 2.531 236 A HA 0.573 4.893 4.320 0.000 0.000 0.236 236 A C 1.148 178.768 177.584 0.061 0.000 1.062 236 A CA -0.080 51.989 52.037 0.054 0.000 0.760 236 A CB -0.471 18.561 19.000 0.053 0.000 0.995 236 A HN 0.557 nan 8.150 nan 0.000 0.501 237 G N 0.165 108.997 108.800 0.054 0.000 2.712 237 G HA2 0.525 4.485 3.960 0.000 0.000 0.258 237 G HA3 0.525 4.485 3.960 0.000 0.000 0.258 237 G C 0.584 175.523 174.900 0.065 0.000 1.241 237 G CA 0.036 45.170 45.100 0.057 0.000 0.923 237 G HN 1.696 nan 8.290 nan 0.000 0.548 238 A N -0.758 122.102 122.820 0.066 0.000 2.511 238 A HA 0.406 4.726 4.320 0.000 0.000 0.242 238 A C 0.544 178.160 177.584 0.053 0.000 1.069 238 A CA -0.235 51.843 52.037 0.068 0.000 0.763 238 A CB -0.272 18.766 19.000 0.064 0.000 1.001 238 A HN 0.600 nan 8.150 nan 0.000 0.498 239 I N 3.171 123.773 120.570 0.053 0.000 2.533 239 I HA 0.168 4.338 4.170 0.000 0.000 0.284 239 I C 1.315 177.451 176.117 0.031 0.000 1.109 239 I CA -0.335 60.989 61.300 0.040 0.000 1.412 239 I CB 0.222 38.246 38.000 0.040 0.000 1.396 239 I HN 0.794 nan 8.210 nan 0.000 0.543 240 R N 6.482 126.997 120.500 0.025 0.000 2.827 240 R HA 0.335 4.675 4.340 0.000 0.000 0.269 240 R C -0.317 175.991 176.300 0.014 0.000 1.048 240 R CA -0.682 55.428 56.100 0.017 0.000 1.173 240 R CB 0.356 30.664 30.300 0.013 0.000 1.070 240 R HN 0.521 nan 8.270 nan 0.000 0.498 241 L N 0.666 121.892 121.223 0.005 0.000 2.473 241 L HA 0.021 4.361 4.340 0.000 0.000 0.265 241 L C 1.110 177.990 176.870 0.016 0.000 1.243 241 L CA -0.165 54.678 54.840 0.005 0.000 0.822 241 L CB 0.234 42.284 42.059 -0.015 0.000 1.101 241 L HN 0.735 nan 8.230 nan 0.000 0.507 242 S N -0.331 115.386 115.700 0.028 0.000 2.563 242 S HA 0.013 4.484 4.470 0.000 0.000 0.284 242 S C 0.959 175.583 174.600 0.039 0.000 1.331 242 S CA -0.042 58.180 58.200 0.037 0.000 1.047 242 S CB 0.619 63.849 63.200 0.051 0.000 0.859 242 S HN 0.722 nan 8.310 nan 0.000 0.514 243 S N 2.645 118.366 115.700 0.035 0.000 2.523 243 S HA 0.149 4.619 4.470 0.000 0.000 0.217 243 S C 0.290 174.913 174.600 0.038 0.000 0.996 243 S CA -0.474 57.747 58.200 0.035 0.000 0.921 243 S CB -0.301 62.914 63.200 0.026 0.000 0.829 243 S HN 0.686 nan 8.310 nan 0.000 0.495 244 N N 4.266 122.990 118.700 0.039 0.000 2.416 244 N HA 0.221 4.961 4.740 0.000 0.000 0.265 244 N C -1.381 174.154 175.510 0.042 0.000 1.195 244 N CA -1.939 51.133 53.050 0.036 0.000 0.943 244 N CB 1.088 39.594 38.487 0.033 0.000 1.115 244 N HN 0.075 nan 8.380 nan 0.000 0.481 245 P HA -0.107 nan 4.420 nan 0.000 0.223 245 P C 0.977 178.287 177.300 0.017 0.000 1.151 245 P CA 0.957 64.076 63.100 0.031 0.000 0.787 245 P CB 0.471 32.183 31.700 0.020 0.000 0.788 246 R N 0.394 120.904 120.500 0.016 0.000 2.073 246 R HA -0.104 4.236 4.340 0.000 0.000 0.234 246 R C 2.409 178.719 176.300 0.016 0.000 1.134 246 R CA 1.521 57.627 56.100 0.010 0.000 0.952 246 R CB -0.366 29.945 30.300 0.018 0.000 0.850 246 R HN 0.279 nan 8.270 nan 0.000 0.433 247 E N 0.446 120.665 120.200 0.032 0.000 2.072 247 E HA -0.160 4.190 4.350 0.000 0.000 0.191 247 E C 2.083 178.719 176.600 0.060 0.000 0.985 247 E CA 0.940 57.367 56.400 0.044 0.000 0.801 247 E CB -0.031 29.700 29.700 0.051 0.000 0.750 247 E HN 0.281 nan 8.360 nan 0.000 0.452 248 L N 0.632 121.901 121.223 0.078 0.000 2.083 248 L HA -0.199 4.141 4.340 0.000 0.000 0.209 248 L C 2.602 179.451 176.870 -0.035 0.000 1.083 248 L CA 0.505 55.418 54.840 0.122 0.000 0.752 248 L CB -0.476 41.688 42.059 0.175 0.000 0.899 248 L HN 0.227 nan 8.230 nan 0.000 0.433 249 L N 0.473 121.666 121.223 -0.050 0.000 1.989 249 L HA -0.213 4.127 4.340 0.000 0.000 0.211 249 L C 2.365 179.168 176.870 -0.111 0.000 1.071 249 L CA 1.818 56.595 54.840 -0.105 0.000 0.749 249 L CB -0.434 41.584 42.059 -0.068 0.000 0.890 249 L HN 0.066 nan 8.230 nan 0.000 0.431 250 I N -0.097 120.443 120.570 -0.050 0.000 2.208 250 I HA -0.317 3.853 4.170 0.000 0.000 0.245 250 I C 2.622 178.714 176.117 -0.041 0.000 1.097 250 I CA 1.281 62.563 61.300 -0.029 0.000 1.363 250 I CB -0.740 37.266 38.000 0.010 0.000 1.051 250 I HN 0.419 nan 8.210 nan 0.000 0.413 251 A N 0.727 123.532 122.820 -0.025 0.000 1.877 251 A HA -0.189 4.132 4.320 0.000 0.000 0.216 251 A C 2.429 179.917 177.584 -0.159 0.000 1.186 251 A CA 1.392 53.448 52.037 0.031 0.000 0.620 251 A CB -0.556 18.602 19.000 0.265 0.000 0.822 251 A HN 0.282 nan 8.150 nan 0.000 0.443 252 R N -0.760 119.391 120.500 -0.581 0.000 2.091 252 R HA -0.180 4.160 4.340 0.000 0.000 0.238 252 R C 2.479 178.583 176.300 -0.326 0.000 1.136 252 R CA 1.860 57.488 56.100 -0.786 0.000 0.959 252 R CB -0.305 29.507 30.300 -0.814 0.000 0.856 252 R HN 0.692 nan 8.270 nan 0.000 0.437 253 Q N -0.446 119.229 119.800 -0.207 0.000 2.083 253 Q HA -0.030 4.310 4.340 0.000 0.000 0.198 253 Q C 2.173 178.130 176.000 -0.072 0.000 0.969 253 Q CA 1.208 56.944 55.803 -0.110 0.000 0.838 253 Q CB -0.017 28.676 28.738 -0.074 0.000 0.900 253 Q HN 0.342 nan 8.270 nan 0.000 0.436 254 A N 0.999 123.784 122.820 -0.057 0.000 1.940 254 A HA -0.173 4.147 4.320 0.000 0.000 0.219 254 A C 2.223 179.773 177.584 -0.057 0.000 1.176 254 A CA 1.664 53.683 52.037 -0.031 0.000 0.631 254 A CB -0.693 18.306 19.000 -0.001 0.000 0.814 254 A HN 0.414 nan 8.150 nan 0.000 0.446 255 A N 0.120 122.897 122.820 -0.071 0.000 1.969 255 A HA -0.153 4.167 4.320 0.000 0.000 0.218 255 A C 1.892 179.351 177.584 -0.207 0.000 1.169 255 A CA 1.603 53.572 52.037 -0.114 0.000 0.635 255 A CB -0.500 18.489 19.000 -0.018 0.000 0.810 255 A HN 0.559 nan 8.150 nan 0.000 0.445 256 N N 0.184 118.801 118.700 -0.138 0.000 2.171 256 N HA -0.090 4.650 4.740 0.000 0.000 0.184 256 N C 1.732 177.218 175.510 -0.039 0.000 1.021 256 N CA 1.430 54.427 53.050 -0.089 0.000 0.854 256 N CB -0.584 37.915 38.487 0.020 0.000 0.994 256 N HN 0.245 nan 8.380 nan 0.000 0.426 257 V N 2.132 122.028 119.914 -0.031 0.000 2.255 257 V HA -0.209 3.911 4.120 0.000 0.000 0.247 257 V C 2.319 178.383 176.094 -0.050 0.000 1.051 257 V CA 1.330 63.629 62.300 -0.002 0.000 1.018 257 V CB -0.467 31.358 31.823 0.004 0.000 0.641 257 V HN 0.191 nan 8.190 nan 0.000 0.445 258 I N -0.123 120.372 120.570 -0.126 0.000 2.118 258 I HA -0.322 3.848 4.170 0.000 0.000 0.241 258 I C 2.628 178.530 176.117 -0.359 0.000 1.070 258 I CA 2.220 63.405 61.300 -0.193 0.000 1.327 258 I CB -0.493 37.359 38.000 -0.246 0.000 1.034 258 I HN 0.440 nan 8.210 nan 0.000 0.405 259 E N 0.410 120.240 120.200 -0.616 0.000 2.097 259 E HA -0.266 4.084 4.350 0.000 0.000 0.196 259 E C 1.554 177.854 176.600 -0.501 0.000 1.000 259 E CA 1.500 57.401 56.400 -0.831 0.000 0.804 259 E CB 0.015 29.179 29.700 -0.893 0.000 0.740 259 E HN 0.602 nan 8.360 nan 0.000 0.454 260 H N -0.899 118.109 119.070 -0.103 0.000 2.549 260 H HA 0.136 4.692 4.556 0.000 0.000 0.279 260 H C 1.987 177.298 175.328 -0.028 0.000 1.018 260 H CA 0.761 56.783 56.048 -0.043 0.000 1.175 260 H CB 0.651 30.392 29.762 -0.036 0.000 1.485 260 H HN 0.201 nan 8.280 nan 0.000 0.543 261 S N -0.270 115.468 115.700 0.062 0.000 2.423 261 S HA 0.020 4.490 4.470 0.000 0.000 0.231 261 S C 1.930 176.513 174.600 -0.028 0.000 1.014 261 S CA 0.869 59.122 58.200 0.088 0.000 0.965 261 S CB 0.016 63.341 63.200 0.208 0.000 0.785 261 S HN 0.533 nan 8.310 nan 0.000 0.495 262 G N -0.441 108.313 108.800 -0.076 0.000 2.179 262 G HA2 -0.222 3.738 3.960 0.000 0.000 0.220 262 G HA3 -0.222 3.738 3.960 0.000 0.000 0.220 262 G C 0.289 174.995 174.900 -0.324 0.000 0.990 262 G CA 0.243 45.205 45.100 -0.229 0.000 0.646 262 G HN 0.538 nan 8.290 nan 0.000 0.517 263 Y N -1.110 119.185 120.300 -0.009 0.000 2.430 263 Y HA 0.490 5.040 4.550 0.000 0.000 0.248 263 Y C 1.042 176.908 175.900 -0.057 0.000 1.108 263 Y CA -0.918 57.176 58.100 -0.011 0.000 1.264 263 Y CB 0.463 38.925 38.460 0.002 0.000 1.172 263 Y HN 0.224 nan 8.280 nan 0.000 0.520 264 F N 2.004 121.842 119.950 -0.186 0.000 2.652 264 F HA 0.375 4.902 4.527 0.000 0.000 0.352 264 F C -0.259 175.342 175.800 -0.332 0.000 1.259 264 F CA -1.000 56.725 58.000 -0.458 0.000 1.249 264 F CB -0.702 38.003 39.000 -0.491 0.000 1.628 264 F HN -0.071 nan 8.300 nan 0.000 0.654 265 C N 2.368 121.463 119.300 -0.343 0.000 2.779 265 C HA 0.302 4.762 4.460 0.000 0.000 0.314 265 C C -0.106 174.829 174.990 -0.091 0.000 1.231 265 C CA -1.294 57.597 59.018 -0.211 0.000 1.652 265 C CB 1.418 29.122 27.740 -0.060 0.000 2.198 265 C HN 0.549 nan 8.230 nan 0.000 0.483 266 D N 0.513 120.864 120.400 -0.081 0.000 2.658 266 D HA 0.368 5.008 4.640 0.000 0.000 0.230 266 D C 1.187 177.515 176.300 0.046 0.000 1.118 266 D CA 2.506 56.503 54.000 -0.005 0.000 0.848 266 D CB 0.156 40.944 40.800 -0.019 0.000 1.160 266 D HN 1.127 nan 8.370 nan 0.000 0.497 267 G N 3.115 111.938 108.800 0.039 0.000 2.141 267 G HA2 -0.255 3.705 3.960 0.000 0.000 0.242 267 G HA3 -0.255 3.705 3.960 0.000 0.000 0.242 267 G C 0.422 175.309 174.900 -0.021 0.000 0.982 267 G CA 0.014 45.104 45.100 -0.017 0.000 0.662 267 G HN 0.630 nan 8.290 nan 0.000 0.527 268 F N 2.062 121.955 119.950 -0.094 0.000 2.496 268 F HA 0.657 5.184 4.527 0.000 0.000 0.344 268 F C 0.609 176.296 175.800 -0.187 0.000 1.155 268 F CA -0.462 57.481 58.000 -0.096 0.000 1.302 268 F CB 0.588 39.552 39.000 -0.060 0.000 1.159 268 F HN 0.430 nan 8.300 nan 0.000 0.595 269 S N 4.824 120.303 115.700 -0.368 0.000 2.638 269 S HA 0.867 5.338 4.470 0.000 0.000 0.298 269 S C -0.727 173.609 174.600 -0.440 0.000 1.111 269 S CA -0.694 57.026 58.200 -0.801 0.000 1.027 269 S CB 1.910 64.283 63.200 -1.379 0.000 1.064 269 S HN 1.195 nan 8.310 nan 0.000 0.525 270 L N -1.130 119.814 121.223 -0.465 0.000 2.540 270 L HA 0.712 5.052 4.340 0.000 0.000 0.256 270 L C -1.482 175.326 176.870 -0.104 0.000 1.001 270 L CA -0.931 53.824 54.840 -0.142 0.000 0.843 270 L CB 2.097 44.195 42.059 0.065 0.000 1.436 270 L HN 0.850 nan 8.230 nan 0.000 0.410 271 Q N 1.749 121.545 119.800 -0.006 0.000 2.290 271 Q HA 0.559 4.899 4.340 0.000 0.000 0.269 271 Q C -1.049 174.980 176.000 0.049 0.000 1.016 271 Q CA -0.387 55.445 55.803 0.048 0.000 0.754 271 Q CB 2.179 30.982 28.738 0.109 0.000 1.247 271 Q HN 0.916 nan 8.270 nan 0.000 0.451 272 T N 0.361 114.944 114.554 0.048 0.000 2.910 272 T HA 0.821 5.171 4.350 0.000 0.000 0.279 272 T C 0.579 175.297 174.700 0.029 0.000 0.989 272 T CA -0.251 61.874 62.100 0.041 0.000 0.968 272 T CB 1.375 70.269 68.868 0.043 0.000 1.135 272 T HN 0.580 nan 8.240 nan 0.000 0.562 273 G N -0.552 108.255 108.800 0.011 0.000 2.531 273 G HA2 0.471 4.431 3.960 0.000 0.000 0.313 273 G HA3 0.471 4.431 3.960 0.000 0.000 0.313 273 G C 0.524 175.376 174.900 -0.080 0.000 1.238 273 G CA -0.243 44.843 45.100 -0.022 0.000 0.994 273 G HN 1.058 nan 8.290 nan 0.000 0.493 274 T N -3.155 111.300 114.554 -0.164 0.000 3.260 274 T HA 0.567 4.918 4.350 0.000 0.000 0.254 274 T C 0.610 175.229 174.700 -0.134 0.000 0.951 274 T CA 0.387 62.334 62.100 -0.254 0.000 0.918 274 T CB -0.390 68.081 68.868 -0.662 0.000 1.098 274 T HN 1.792 nan 8.240 nan 0.000 0.563 275 G N -1.223 107.541 108.800 -0.060 0.000 2.336 275 G HA2 0.526 4.486 3.960 0.000 0.000 0.300 275 G HA3 0.526 4.486 3.960 0.000 0.000 0.300 275 G C 0.122 175.025 174.900 0.004 0.000 1.375 275 G CA -0.133 44.954 45.100 -0.022 0.000 0.885 275 G HN 1.226 nan 8.290 nan 0.000 0.599 276 G N -0.249 108.562 108.800 0.018 0.000 2.574 276 G HA2 0.163 4.123 3.960 0.000 0.000 0.282 276 G HA3 0.163 4.123 3.960 0.000 0.000 0.282 276 G C 1.612 176.539 174.900 0.045 0.000 1.257 276 G CA 2.280 47.399 45.100 0.031 0.000 0.956 276 G HN 2.357 nan 8.290 nan 0.000 0.560 277 A N -0.796 122.054 122.820 0.050 0.000 1.968 277 A HA 0.215 4.535 4.320 0.000 0.000 0.217 277 A C 2.819 180.442 177.584 0.064 0.000 1.169 277 A CA 3.105 55.182 52.037 0.066 0.000 0.638 277 A CB -0.822 18.211 19.000 0.055 0.000 0.812 277 A HN 2.158 nan 8.150 nan 0.000 0.446 278 S N -0.321 115.407 115.700 0.046 0.000 2.402 278 S HA -0.125 4.346 4.470 0.000 0.000 0.229 278 S C 1.829 176.450 174.600 0.036 0.000 1.021 278 S CA 1.365 59.589 58.200 0.040 0.000 0.974 278 S CB -0.519 62.699 63.200 0.030 0.000 0.800 278 S HN 0.408 nan 8.310 nan 0.000 0.484 279 L N 2.114 123.353 121.223 0.027 0.000 2.007 279 L HA 0.294 4.634 4.340 0.000 0.000 0.205 279 L C 2.703 179.597 176.870 0.040 0.000 1.073 279 L CA 1.836 56.689 54.840 0.022 0.000 0.744 279 L CB -1.181 40.881 42.059 0.006 0.000 0.898 279 L HN 0.326 nan 8.230 nan 0.000 0.435 280 A N -1.196 121.659 122.820 0.058 0.000 2.125 280 A HA -0.135 4.185 4.320 0.000 0.000 0.219 280 A C 2.382 180.052 177.584 0.143 0.000 1.156 280 A CA 1.357 53.441 52.037 0.078 0.000 0.671 280 A CB -1.209 17.863 19.000 0.119 0.000 0.794 280 A HN 0.382 nan 8.150 nan 0.000 0.459 281 V N 0.991 121.000 119.914 0.160 0.000 2.380 281 V HA -0.294 3.826 4.120 0.000 0.000 0.251 281 V C 2.898 179.085 176.094 0.155 0.000 1.063 281 V CA 3.229 65.651 62.300 0.203 0.000 1.055 281 V CB -1.019 30.874 31.823 0.117 0.000 0.657 281 V HN 0.869 nan 8.190 nan 0.000 0.455 282 T N -1.164 113.435 114.554 0.076 0.000 2.685 282 T HA -0.363 3.987 4.350 0.000 0.000 0.268 282 T C 2.005 176.697 174.700 -0.013 0.000 1.034 282 T CA 1.986 64.116 62.100 0.049 0.000 1.149 282 T CB -0.764 68.121 68.868 0.028 0.000 0.860 282 T HN 0.607 nan 8.240 nan 0.000 0.449 283 R N 0.304 120.718 120.500 -0.143 0.000 2.105 283 R HA -0.055 4.285 4.340 0.000 0.000 0.239 283 R C 1.890 177.936 176.300 -0.423 0.000 1.135 283 R CA 1.677 57.560 56.100 -0.361 0.000 0.967 283 R CB -0.388 29.531 30.300 -0.635 0.000 0.861 283 R HN 0.578 nan 8.270 nan 0.000 0.442 284 F N -0.094 119.866 119.950 0.017 0.000 2.619 284 F HA 0.106 4.633 4.527 0.000 0.000 0.293 284 F C 1.966 177.764 175.800 -0.003 0.000 1.119 284 F CA 0.040 58.042 58.000 0.002 0.000 1.445 284 F CB -0.037 38.953 39.000 -0.017 0.000 1.119 284 F HN -0.078 nan 8.300 nan 0.000 0.573 285 L N 0.229 121.539 121.223 0.144 0.000 2.056 285 L HA -0.173 4.167 4.340 0.000 0.000 0.207 285 L C 2.585 179.566 176.870 0.185 0.000 1.078 285 L CA 1.490 56.404 54.840 0.123 0.000 0.749 285 L CB -0.530 41.621 42.059 0.154 0.000 0.901 285 L HN 0.193 nan 8.230 nan 0.000 0.433 286 E N 0.596 120.873 120.200 0.129 0.000 2.049 286 E HA -0.339 4.012 4.350 0.000 0.000 0.198 286 E C 1.733 178.408 176.600 0.125 0.000 1.007 286 E CA 2.191 58.661 56.400 0.117 0.000 0.809 286 E CB -0.033 29.695 29.700 0.047 0.000 0.749 286 E HN 0.423 nan 8.360 nan 0.000 0.450 287 D N -0.037 120.421 120.400 0.096 0.000 2.117 287 D HA -0.081 4.559 4.640 0.000 0.000 0.197 287 D C 0.473 176.861 176.300 0.146 0.000 0.987 287 D CA 0.924 54.984 54.000 0.099 0.000 0.829 287 D CB 0.150 40.999 40.800 0.080 0.000 0.961 287 D HN 0.036 nan 8.370 nan 0.000 0.460 291 R N 1.032 121.587 120.500 0.093 0.000 2.070 291 R HA 0.069 4.409 4.340 0.000 0.000 0.232 291 R C 0.841 177.102 176.300 -0.064 0.000 1.138 291 R CA 1.499 57.594 56.100 -0.007 0.000 0.936 291 R CB -0.220 30.046 30.300 -0.055 0.000 0.839 291 R HN 0.209 nan 8.270 nan 0.000 0.429 292 H N -0.169 118.945 119.070 0.073 0.000 2.597 292 H HA 0.070 4.626 4.556 0.000 0.000 0.370 292 H C -0.110 175.224 175.328 0.011 0.000 1.281 292 H CA -0.158 55.910 56.048 0.034 0.000 1.422 292 H CB 0.453 30.223 29.762 0.013 0.000 1.524 292 H HN 0.104 nan 8.280 nan 0.000 0.607 293 N N 1.504 120.272 118.700 0.114 0.000 3.259 293 N HA 0.179 4.919 4.740 0.000 0.000 0.308 293 N C -0.431 175.099 175.510 0.034 0.000 1.334 293 N CA 0.129 53.215 53.050 0.059 0.000 1.202 293 N CB -0.433 38.076 38.487 0.036 0.000 1.485 293 N HN 0.344 nan 8.380 nan 0.000 0.549 294 I N 0.243 120.832 120.570 0.031 0.000 2.460 294 I HA 0.302 4.472 4.170 0.000 0.000 0.298 294 I C 0.363 176.497 176.117 0.028 0.000 0.989 294 I CA -0.486 60.793 61.300 -0.035 0.000 1.173 294 I CB 1.723 39.565 38.000 -0.263 0.000 1.338 294 I HN 0.078 nan 8.210 nan 0.000 0.456 295 T N 2.225 116.794 114.554 0.025 0.000 2.903 295 T HA 0.801 5.151 4.350 0.000 0.000 0.299 295 T C -0.593 174.058 174.700 -0.082 0.000 1.093 295 T CA -0.885 61.221 62.100 0.010 0.000 1.002 295 T CB 1.847 70.710 68.868 -0.007 0.000 1.127 295 T HN 0.611 nan 8.240 nan 0.000 0.488 296 A N 1.265 123.927 122.820 -0.263 0.000 2.304 296 A HA 0.653 4.973 4.320 0.000 0.000 0.301 296 A C 1.412 178.798 177.584 -0.330 0.000 1.132 296 A CA -0.173 51.469 52.037 -0.657 0.000 0.819 296 A CB 0.609 18.971 19.000 -1.062 0.000 1.094 296 A HN 1.270 nan 8.150 nan 0.000 0.492 297 S N 0.619 116.140 115.700 -0.299 0.000 2.371 297 S HA 0.206 4.676 4.470 0.000 0.000 0.224 297 S C 0.278 174.910 174.600 0.055 0.000 1.029 297 S CA 1.103 59.260 58.200 -0.071 0.000 0.978 297 S CB -0.554 62.664 63.200 0.030 0.000 0.833 297 S HN 1.514 nan 8.310 nan 0.000 0.466 298 F N -1.381 118.452 119.950 -0.194 0.000 2.678 298 F HA 0.800 5.327 4.527 0.000 0.000 0.308 298 F C -0.438 175.263 175.800 -0.164 0.000 1.118 298 F CA -1.101 56.805 58.000 -0.156 0.000 0.959 298 F CB 0.810 39.743 39.000 -0.111 0.000 1.305 298 F HN 0.116 nan 8.300 nan 0.000 0.443 299 G N 1.559 110.368 108.800 0.014 0.000 2.417 299 G HA2 0.665 4.625 3.960 0.000 0.000 0.334 299 G HA3 0.665 4.625 3.960 0.000 0.000 0.334 299 G C -2.329 172.681 174.900 0.185 0.000 1.150 299 G CA -0.996 44.089 45.100 -0.026 0.000 0.923 299 G HN 0.949 nan 8.290 nan 0.000 0.485 300 L N 0.987 122.305 121.223 0.158 0.000 2.388 300 L HA 0.927 5.267 4.340 0.000 0.000 0.264 300 L C 0.431 177.391 176.870 0.150 0.000 0.998 300 L CA 0.768 55.752 54.840 0.241 0.000 0.817 300 L CB 1.854 44.183 42.059 0.449 0.000 1.338 300 L HN 1.331 nan 8.230 nan 0.000 0.414 301 G N 2.190 111.018 108.800 0.046 0.000 2.384 301 G HA2 0.283 4.243 3.960 0.000 0.000 0.150 301 G HA3 0.283 4.243 3.960 0.000 0.000 0.150 301 G C -0.514 174.310 174.900 -0.126 0.000 1.269 301 G CA -0.285 44.798 45.100 -0.030 0.000 1.094 301 G HN 1.034 nan 8.290 nan 0.000 0.467 302 G N 0.568 109.451 108.800 0.138 0.000 2.350 302 G HA2 0.541 4.501 3.960 0.000 0.000 0.306 302 G HA3 0.541 4.501 3.960 0.000 0.000 0.306 302 G C 0.036 175.163 174.900 0.378 0.000 1.094 302 G CA -0.288 45.020 45.100 0.346 0.000 0.953 302 G HN 0.513 nan 8.290 nan 0.000 0.420 303 I N 2.569 123.271 120.570 0.221 0.000 2.529 303 I HA 0.225 4.395 4.170 0.000 0.000 0.284 303 I C 1.272 177.531 176.117 0.236 0.000 1.082 303 I CA -0.142 61.248 61.300 0.151 0.000 1.406 303 I CB 0.942 38.956 38.000 0.023 0.000 1.405 303 I HN 0.529 nan 8.210 nan 0.000 0.548 304 T N 1.232 115.884 114.554 0.162 0.000 2.937 304 T HA 0.497 4.847 4.350 0.000 0.000 0.283 304 T C 1.177 175.943 174.700 0.110 0.000 1.012 304 T CA -0.312 61.879 62.100 0.151 0.000 0.997 304 T CB 1.596 70.518 68.868 0.089 0.000 1.136 304 T HN 0.673 nan 8.240 nan 0.000 0.551 305 G N 0.050 108.912 108.800 0.102 0.000 2.471 305 G HA2 0.066 4.026 3.960 0.000 0.000 0.219 305 G HA3 0.066 4.026 3.960 0.000 0.000 0.219 305 G C 0.874 175.811 174.900 0.062 0.000 1.125 305 G CA 0.933 46.085 45.100 0.085 0.000 0.775 305 G HN 1.039 nan 8.290 nan 0.000 0.548 309 D N 1.091 121.532 120.400 0.069 0.000 2.117 309 D HA -0.154 4.486 4.640 0.000 0.000 0.197 309 D C 1.849 178.173 176.300 0.041 0.000 0.987 309 D CA 2.155 56.183 54.000 0.047 0.000 0.829 309 D CB -0.057 40.763 40.800 0.033 0.000 0.961 309 D HN 0.491 nan 8.370 nan 0.000 0.460 310 L N -0.424 120.829 121.223 0.050 0.000 2.201 310 L HA -0.126 4.214 4.340 0.000 0.000 0.212 310 L C 2.630 179.541 176.870 0.069 0.000 1.105 310 L CA 1.167 56.037 54.840 0.050 0.000 0.775 310 L CB -0.734 41.356 42.059 0.051 0.000 0.913 310 L HN 0.361 nan 8.230 nan 0.000 0.440 311 H N 0.808 119.876 119.070 -0.005 0.000 2.326 311 H HA -0.143 4.413 4.556 0.000 0.000 0.301 311 H C 1.862 177.200 175.328 0.018 0.000 1.081 311 H CA 1.693 57.741 56.048 -0.001 0.000 1.334 311 H CB 0.319 30.074 29.762 -0.012 0.000 1.385 311 H HN 0.427 nan 8.280 nan 0.000 0.504 312 E N 0.800 120.904 120.200 -0.159 0.000 2.153 312 E HA -0.143 4.207 4.350 0.000 0.000 0.194 312 E C 2.038 178.566 176.600 -0.120 0.000 0.988 312 E CA 0.741 57.033 56.400 -0.180 0.000 0.811 312 E CB 0.013 29.679 29.700 -0.058 0.000 0.746 312 E HN 0.485 nan 8.360 nan 0.000 0.466 313 K N -0.143 120.220 120.400 -0.061 0.000 2.515 313 K HA -0.032 4.288 4.320 0.000 0.000 0.196 313 K C 1.145 177.720 176.600 -0.040 0.000 1.038 313 K CA 0.506 56.772 56.287 -0.035 0.000 0.967 313 K CB 0.027 32.524 32.500 -0.005 0.000 0.780 313 K HN 0.277 nan 8.250 nan 0.000 0.483 314 G N 1.231 109.986 108.800 -0.076 0.000 2.153 314 G HA2 -0.275 3.685 3.960 0.000 0.000 0.252 314 G HA3 -0.275 3.685 3.960 0.000 0.000 0.252 314 G C 0.607 175.503 174.900 -0.007 0.000 0.994 314 G CA 0.185 45.253 45.100 -0.052 0.000 0.698 314 G HN 0.293 nan 8.290 nan 0.000 0.521 315 L N -0.776 120.453 121.223 0.010 0.000 2.375 315 L HA 0.397 4.737 4.340 0.000 0.000 0.215 315 L C 1.138 178.011 176.870 0.005 0.000 1.108 315 L CA 0.649 55.503 54.840 0.023 0.000 0.830 315 L CB 0.106 42.192 42.059 0.045 0.000 0.959 315 L HN 0.297 nan 8.230 nan 0.000 0.457 316 I N -0.928 119.663 120.570 0.035 0.000 2.466 316 I HA 0.149 4.319 4.170 0.000 0.000 0.289 316 I C 0.430 176.645 176.117 0.163 0.000 1.026 316 I CA -0.414 60.901 61.300 0.026 0.000 1.078 316 I CB 2.182 40.190 38.000 0.013 0.000 1.249 316 I HN -0.099 nan 8.210 nan 0.000 0.429 317 K N 3.796 124.250 120.400 0.091 0.000 2.243 317 K HA 0.340 4.660 4.320 0.000 0.000 0.201 317 K C 0.489 177.174 176.600 0.142 0.000 1.051 317 K CA 0.496 56.856 56.287 0.122 0.000 0.970 317 K CB 0.422 32.925 32.500 0.005 0.000 0.755 317 K HN 0.688 nan 8.250 nan 0.000 0.465 318 A N 1.004 123.843 122.820 0.032 0.000 2.515 318 A HA 0.637 4.957 4.320 0.000 0.000 0.298 318 A C -1.464 176.033 177.584 -0.146 0.000 1.059 318 A CA -0.754 51.229 52.037 -0.089 0.000 0.698 318 A CB 1.244 20.218 19.000 -0.044 0.000 1.289 318 A HN 0.059 nan 8.150 nan 0.000 0.404 319 L N 1.884 122.931 121.223 -0.293 0.000 2.362 319 L HA 0.564 4.904 4.340 0.000 0.000 0.275 319 L C -1.047 175.741 176.870 -0.138 0.000 0.998 319 L CA -0.485 54.202 54.840 -0.254 0.000 0.820 319 L CB 1.808 43.521 42.059 -0.576 0.000 1.270 319 L HN 0.601 nan 8.230 nan 0.000 0.415 320 L N 2.998 124.191 121.223 -0.051 0.000 2.305 320 L HA 0.462 4.802 4.340 0.000 0.000 0.284 320 L C -0.928 175.918 176.870 -0.040 0.000 1.013 320 L CA -0.336 54.480 54.840 -0.041 0.000 0.819 320 L CB 1.826 43.841 42.059 -0.073 0.000 1.227 320 L HN 0.491 nan 8.230 nan 0.000 0.417 321 D N 1.378 121.760 120.400 -0.031 0.000 2.462 321 D HA 0.145 4.785 4.640 0.000 0.000 0.245 321 D C 0.456 176.648 176.300 -0.181 0.000 1.122 321 D CA -0.169 53.806 54.000 -0.042 0.000 0.864 321 D CB 2.020 42.932 40.800 0.186 0.000 1.098 321 D HN 0.403 nan 8.370 nan 0.000 0.541 322 T N 2.362 116.706 114.554 -0.349 0.000 3.065 322 T HA 0.084 4.434 4.350 0.000 0.000 0.252 322 T C 0.138 174.498 174.700 -0.566 0.000 1.099 322 T CA 0.578 62.358 62.100 -0.532 0.000 1.063 322 T CB 0.126 68.525 68.868 -0.780 0.000 0.948 322 T HN 0.486 nan 8.240 nan 0.000 0.506 323 Q N 0.828 120.400 119.800 -0.381 0.000 2.364 323 Q HA 0.311 4.651 4.340 0.000 0.000 0.251 323 Q C -1.721 174.078 176.000 -0.335 0.000 0.927 323 Q CA -0.360 55.215 55.803 -0.379 0.000 0.924 323 Q CB 1.694 30.203 28.738 -0.381 0.000 1.419 323 Q HN 0.175 nan 8.270 nan 0.000 0.427 324 S N 3.459 118.992 115.700 -0.278 0.000 2.537 324 S HA 0.365 4.835 4.470 0.000 0.000 0.275 324 S C 0.058 174.518 174.600 -0.234 0.000 1.272 324 S CA -0.353 57.773 58.200 -0.124 0.000 1.050 324 S CB 0.415 63.599 63.200 -0.028 0.000 0.961 324 S HN 0.538 nan 8.310 nan 0.000 0.496 325 F N 0.863 120.845 119.950 0.054 0.000 2.656 325 F HA 0.186 4.713 4.527 0.000 0.000 0.291 325 F C 0.768 176.604 175.800 0.059 0.000 1.122 325 F CA 0.061 58.095 58.000 0.057 0.000 1.427 325 F CB 0.409 39.447 39.000 0.064 0.000 1.125 325 F HN 0.438 nan 8.300 nan 0.000 0.583 326 D N -1.363 119.161 120.400 0.206 0.000 2.450 326 D HA 0.264 4.904 4.640 0.000 0.000 0.238 326 D C 1.286 177.648 176.300 0.104 0.000 1.020 326 D CA -0.313 53.773 54.000 0.144 0.000 1.010 326 D CB 1.002 41.879 40.800 0.128 0.000 1.342 326 D HN 0.022 nan 8.370 nan 0.000 0.530 327 G N -0.135 108.717 108.800 0.087 0.000 2.470 327 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 327 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 327 G C 0.860 175.803 174.900 0.071 0.000 1.121 327 G CA 0.616 45.760 45.100 0.073 0.000 0.766 327 G HN 0.356 nan 8.290 nan 0.000 0.553 328 D N 1.130 121.577 120.400 0.078 0.000 2.097 328 D HA -0.033 4.607 4.640 0.000 0.000 0.197 328 D C 2.834 179.196 176.300 0.103 0.000 0.984 328 D CA 1.261 55.308 54.000 0.079 0.000 0.826 328 D CB -0.466 40.381 40.800 0.079 0.000 0.973 328 D HN 0.288 nan 8.370 nan 0.000 0.460 329 A N 1.219 124.120 122.820 0.136 0.000 1.877 329 A HA -0.064 4.256 4.320 0.000 0.000 0.216 329 A C 2.340 179.997 177.584 0.121 0.000 1.186 329 A CA 2.389 54.554 52.037 0.213 0.000 0.620 329 A CB -0.870 18.265 19.000 0.224 0.000 0.822 329 A HN 0.228 nan 8.150 nan 0.000 0.443 330 A N -0.210 122.655 122.820 0.075 0.000 1.892 330 A HA -0.242 4.078 4.320 0.000 0.000 0.218 330 A C 2.281 179.876 177.584 0.019 0.000 1.188 330 A CA 1.875 53.949 52.037 0.062 0.000 0.631 330 A CB -0.504 18.544 19.000 0.081 0.000 0.822 330 A HN 0.563 nan 8.150 nan 0.000 0.447 331 R N -1.083 119.423 120.500 0.010 0.000 2.115 331 R HA -0.044 4.296 4.340 0.000 0.000 0.226 331 R C 2.620 178.861 176.300 -0.099 0.000 1.100 331 R CA 1.194 57.274 56.100 -0.034 0.000 0.980 331 R CB -0.310 29.993 30.300 0.004 0.000 0.875 331 R HN 0.574 nan 8.270 nan 0.000 0.445 332 S N 0.985 116.656 115.700 -0.048 0.000 2.383 332 S HA -0.100 4.370 4.470 0.000 0.000 0.227 332 S C 1.874 176.316 174.600 -0.263 0.000 1.026 332 S CA 0.766 58.960 58.200 -0.009 0.000 0.981 332 S CB -0.075 63.271 63.200 0.243 0.000 0.818 332 S HN 0.220 nan 8.310 nan 0.000 0.472 333 L N 1.743 122.582 121.223 -0.641 0.000 2.131 333 L HA 0.169 4.509 4.340 0.000 0.000 0.210 333 L C 2.390 178.824 176.870 -0.726 0.000 1.092 333 L CA 1.948 56.226 54.840 -0.936 0.000 0.759 333 L CB -1.113 40.533 42.059 -0.688 0.000 0.903 333 L HN 0.335 nan 8.230 nan 0.000 0.435 334 A N -1.290 121.049 122.820 -0.802 0.000 1.929 334 A HA -0.158 4.162 4.320 0.000 0.000 0.216 334 A C 2.137 179.419 177.584 -0.504 0.000 1.176 334 A CA 1.637 53.077 52.037 -0.995 0.000 0.628 334 A CB -0.298 18.216 19.000 -0.811 0.000 0.816 334 A HN 0.611 nan 8.150 nan 0.000 0.444 335 Q N -0.707 118.909 119.800 -0.306 0.000 2.396 335 Q HA 0.140 4.480 4.340 0.000 0.000 0.220 335 Q C -0.228 175.703 176.000 -0.114 0.000 0.900 335 Q CA 0.048 55.748 55.803 -0.170 0.000 0.925 335 Q CB 0.290 28.964 28.738 -0.107 0.000 1.065 335 Q HN 0.652 nan 8.270 nan 0.000 0.535 336 N N 2.354 121.003 118.700 -0.085 0.000 2.419 336 N HA 0.082 4.822 4.740 0.000 0.000 0.264 336 N C -1.989 173.497 175.510 -0.041 0.000 1.031 336 N CA -1.317 51.738 53.050 0.008 0.000 0.951 336 N CB 1.342 39.940 38.487 0.185 0.000 1.101 336 N HN -0.015 nan 8.380 nan 0.000 0.488 337 P HA -0.172 nan 4.420 nan 0.000 0.217 337 P C 0.155 177.336 177.300 -0.198 0.000 1.150 337 P CA 1.479 64.448 63.100 -0.218 0.000 0.832 337 P CB 0.246 31.732 31.700 -0.358 0.000 0.787 338 H N -2.333 116.793 119.070 0.093 0.000 2.524 338 H HA 0.106 4.662 4.556 0.000 0.000 0.280 338 H C 0.261 175.534 175.328 -0.092 0.000 1.018 338 H CA -0.052 56.018 56.048 0.036 0.000 1.165 338 H CB -1.049 28.776 29.762 0.105 0.000 1.411 338 H HN 0.411 nan 8.280 nan 0.000 0.569 339 H N 0.756 119.772 119.070 -0.090 0.000 2.787 339 H HA 0.317 4.873 4.556 0.000 0.000 0.275 339 H C -0.420 174.850 175.328 -0.096 0.000 1.183 339 H CA -0.432 55.527 56.048 -0.149 0.000 1.290 339 H CB -0.210 29.488 29.762 -0.107 0.000 1.438 339 H HN 0.059 nan 8.280 nan 0.000 0.487 340 I N 3.975 124.634 120.570 0.149 0.000 2.392 340 I HA 0.111 4.281 4.170 0.000 0.000 0.295 340 I C 0.230 176.374 176.117 0.046 0.000 0.985 340 I CA -0.558 60.772 61.300 0.050 0.000 1.221 340 I CB 1.772 39.776 38.000 0.007 0.000 1.366 340 I HN 0.619 nan 8.210 nan 0.000 0.467 341 E N 7.159 127.355 120.200 -0.007 0.000 2.289 341 E HA 0.474 4.824 4.350 0.000 0.000 0.278 341 E C -0.996 175.561 176.600 -0.072 0.000 1.032 341 E CA -0.464 55.911 56.400 -0.041 0.000 0.854 341 E CB 1.034 30.712 29.700 -0.037 0.000 1.046 341 E HN 0.570 nan 8.360 nan 0.000 0.409 342 I N 0.675 121.181 120.570 -0.107 0.000 3.002 342 I HA 0.547 4.717 4.170 0.000 0.000 0.310 342 I C -0.209 175.815 176.117 -0.156 0.000 1.087 342 I CA -0.957 60.278 61.300 -0.108 0.000 1.017 342 I CB 2.053 40.004 38.000 -0.081 0.000 1.226 342 I HN 0.483 nan 8.210 nan 0.000 0.443 343 S N 1.779 117.407 115.700 -0.119 0.000 2.707 343 S HA 0.330 4.800 4.470 0.000 0.000 0.276 343 S C 0.809 175.357 174.600 -0.087 0.000 1.179 343 S CA 0.074 58.193 58.200 -0.136 0.000 0.992 343 S CB 1.306 64.457 63.200 -0.082 0.000 1.030 343 S HN 0.752 nan 8.310 nan 0.000 0.554 344 T N 1.248 115.750 114.554 -0.087 0.000 2.962 344 T HA -0.075 4.275 4.350 0.000 0.000 0.270 344 T C 1.665 176.430 174.700 0.108 0.000 1.088 344 T CA 1.331 63.462 62.100 0.052 0.000 1.127 344 T CB -0.698 68.231 68.868 0.102 0.000 0.883 344 T HN 0.745 nan 8.240 nan 0.000 0.493 345 N N 0.805 119.544 118.700 0.066 0.000 2.270 345 N HA -0.089 4.651 4.740 0.000 0.000 0.181 345 N C 1.774 177.310 175.510 0.045 0.000 1.016 345 N CA 0.762 53.849 53.050 0.061 0.000 0.870 345 N CB 0.067 38.603 38.487 0.081 0.000 0.979 345 N HN 0.477 nan 8.380 nan 0.000 0.431 346 Q N -1.163 118.661 119.800 0.040 0.000 2.389 346 Q HA -0.089 4.251 4.340 0.000 0.000 0.204 346 Q C 1.048 177.096 176.000 0.080 0.000 0.944 346 Q CA 0.627 56.448 55.803 0.029 0.000 0.908 346 Q CB 0.108 28.843 28.738 -0.004 0.000 1.002 346 Q HN 0.432 nan 8.270 nan 0.000 0.493 347 Y N -0.596 119.682 120.300 -0.036 0.000 2.239 347 Y HA 0.233 4.783 4.550 0.000 0.000 0.293 347 Y C 1.278 177.194 175.900 0.027 0.000 1.126 347 Y CA 1.171 59.264 58.100 -0.011 0.000 1.128 347 Y CB 0.223 38.664 38.460 -0.031 0.000 1.066 347 Y HN -0.076 nan 8.280 nan 0.000 0.516 348 A N -0.534 122.199 122.820 -0.144 0.000 2.716 348 A HA 0.218 4.538 4.320 0.000 0.000 0.252 348 A C -0.246 177.279 177.584 -0.098 0.000 1.144 348 A CA -0.255 51.625 52.037 -0.262 0.000 0.995 348 A CB -0.743 18.004 19.000 -0.422 0.000 1.252 348 A HN 0.306 nan 8.150 nan 0.000 0.593 349 N N 1.586 120.265 118.700 -0.035 0.000 2.468 349 N HA 0.214 4.954 4.740 0.000 0.000 0.265 349 N C -1.783 173.699 175.510 -0.047 0.000 1.199 349 N CA -1.537 51.494 53.050 -0.032 0.000 0.928 349 N CB 1.252 39.733 38.487 -0.009 0.000 1.059 349 N HN -0.008 nan 8.380 nan 0.000 0.467 350 P HA -0.024 nan 4.420 nan 0.000 0.220 350 P C 0.166 177.450 177.300 -0.027 0.000 1.148 350 P CA 1.063 64.133 63.100 -0.050 0.000 0.803 350 P CB 0.230 31.890 31.700 -0.067 0.000 0.782 351 A N -1.290 121.515 122.820 -0.026 0.000 2.308 351 A HA 0.154 4.474 4.320 0.000 0.000 0.217 351 A C 1.210 178.791 177.584 -0.005 0.000 1.216 351 A CA 0.040 52.068 52.037 -0.014 0.000 0.864 351 A CB -0.790 18.198 19.000 -0.021 0.000 0.902 351 A HN 0.150 nan 8.150 nan 0.000 0.499 352 S N 0.176 115.873 115.700 -0.004 0.000 2.558 352 S HA 0.043 4.513 4.470 0.000 0.000 0.288 352 S C 1.082 175.685 174.600 0.006 0.000 1.318 352 S CA -0.003 58.202 58.200 0.007 0.000 1.056 352 S CB 0.384 63.587 63.200 0.005 0.000 0.853 352 S HN 0.492 nan 8.310 nan 0.000 0.505 353 K N 2.712 123.118 120.400 0.011 0.000 2.362 353 K HA 0.041 4.361 4.320 0.000 0.000 0.200 353 K C 0.848 177.449 176.600 0.001 0.000 1.046 353 K CA 0.798 57.088 56.287 0.006 0.000 0.952 353 K CB -0.034 32.470 32.500 0.007 0.000 0.753 353 K HN 0.679 nan 8.250 nan 0.000 0.466 354 G N 0.490 109.289 108.800 -0.002 0.000 2.107 354 G HA2 0.469 4.429 3.960 0.000 0.000 0.297 354 G HA3 0.469 4.429 3.960 0.000 0.000 0.297 354 G C -1.569 173.325 174.900 -0.011 0.000 1.543 354 G CA -0.558 44.537 45.100 -0.009 0.000 1.115 354 G HN 0.115 nan 8.290 nan 0.000 0.550 355 A N 1.521 124.334 122.820 -0.012 0.000 2.273 355 A HA 0.790 5.111 4.320 0.000 0.000 0.315 355 A C 1.231 178.808 177.584 -0.012 0.000 1.256 355 A CA 0.274 52.301 52.037 -0.017 0.000 0.851 355 A CB 1.288 20.265 19.000 -0.038 0.000 1.172 355 A HN 1.774 nan 8.150 nan 0.000 0.508 356 A N 1.452 124.275 122.820 0.005 0.000 2.019 356 A HA -0.153 4.167 4.320 0.000 0.000 0.219 356 A C 2.065 179.724 177.584 0.126 0.000 1.164 356 A CA 1.957 54.010 52.037 0.027 0.000 0.644 356 A CB -1.279 17.706 19.000 -0.025 0.000 0.805 356 A HN 1.781 nan 8.150 nan 0.000 0.449 357 C N -1.243 118.081 119.300 0.041 0.000 2.430 357 C HA 0.070 4.530 4.460 0.000 0.000 0.288 357 C C 1.850 176.856 174.990 0.026 0.000 1.448 357 C CA 0.914 59.940 59.018 0.013 0.000 1.784 357 C CB -1.570 26.052 27.740 -0.197 0.000 1.776 357 C HN 0.634 nan 8.230 nan 0.000 0.547 358 E N 0.233 120.450 120.200 0.029 0.000 2.489 358 E HA 0.128 4.478 4.350 0.000 0.000 0.193 358 E C 1.763 178.402 176.600 0.065 0.000 1.057 358 E CA 0.141 56.558 56.400 0.027 0.000 0.866 358 E CB 0.062 29.769 29.700 0.011 0.000 0.916 358 E HN 0.663 nan 8.360 nan 0.000 0.500 359 R N -0.151 120.427 120.500 0.131 0.000 2.629 359 R HA 0.266 4.606 4.340 0.000 0.000 0.408 359 R C -0.489 175.938 176.300 0.212 0.000 1.057 359 R CA -0.189 56.026 56.100 0.192 0.000 1.119 359 R CB 0.762 31.220 30.300 0.263 0.000 1.403 359 R HN 0.045 nan 8.270 nan 0.000 0.576 360 L N 1.010 122.296 121.223 0.106 0.000 2.276 360 L HA 0.224 4.564 4.340 0.000 0.000 0.286 360 L C 0.752 177.582 176.870 -0.067 0.000 1.061 360 L CA -0.068 54.765 54.840 -0.011 0.000 0.807 360 L CB 1.391 43.452 42.059 0.002 0.000 1.177 360 L HN 0.165 nan 8.230 nan 0.000 0.429 361 N N 1.495 120.140 118.700 -0.092 0.000 2.171 361 N HA -0.028 4.712 4.740 0.000 0.000 0.184 361 N C -0.548 174.828 175.510 -0.223 0.000 1.021 361 N CA 0.774 53.744 53.050 -0.133 0.000 0.854 361 N CB 0.331 38.850 38.487 0.054 0.000 0.994 361 N HN 0.266 nan 8.380 nan 0.000 0.426 362 V N 0.497 120.358 119.914 -0.089 0.000 2.686 362 V HA 0.496 4.616 4.120 0.000 0.000 0.306 362 V C -0.571 175.502 176.094 -0.034 0.000 1.065 362 V CA -0.805 61.455 62.300 -0.065 0.000 0.894 362 V CB 2.060 33.900 31.823 0.028 0.000 1.004 362 V HN -0.182 nan 8.190 nan 0.000 0.424 366 S N -0.529 115.269 115.700 0.163 0.000 2.806 366 S HA 1.015 5.485 4.470 0.000 0.000 0.306 366 S C -1.169 173.570 174.600 0.232 0.000 1.167 366 S CA -0.164 58.133 58.200 0.162 0.000 0.847 366 S CB 2.444 65.708 63.200 0.106 0.000 1.216 366 S HN 1.365 nan 8.310 nan 0.000 0.532 367 A N -0.132 122.757 122.820 0.114 0.000 2.566 367 A HA 0.662 4.982 4.320 0.000 0.000 0.297 367 A C 0.120 177.717 177.584 0.021 0.000 1.059 367 A CA -0.838 51.235 52.037 0.060 0.000 0.691 367 A CB 0.436 19.476 19.000 0.067 0.000 1.282 367 A HN 0.783 nan 8.150 nan 0.000 0.401 368 L N 0.313 121.531 121.223 -0.008 0.000 2.068 368 L HA 0.109 4.449 4.340 0.000 0.000 0.204 368 L C 1.013 177.878 176.870 -0.008 0.000 1.076 368 L CA 1.440 56.276 54.840 -0.007 0.000 0.753 368 L CB -0.141 41.909 42.059 -0.015 0.000 0.910 368 L HN 0.899 nan 8.230 nan 0.000 0.439 369 E N -0.570 119.621 120.200 -0.014 0.000 2.449 369 E HA 0.645 4.995 4.350 0.000 0.000 0.278 369 E C -1.030 175.559 176.600 -0.017 0.000 0.992 369 E CA -0.811 55.579 56.400 -0.017 0.000 0.807 369 E CB 2.863 32.552 29.700 -0.018 0.000 1.350 369 E HN -0.002 nan 8.360 nan 0.000 0.462 370 I N 1.401 121.951 120.570 -0.032 0.000 2.680 370 I HA 0.269 4.439 4.170 0.000 0.000 0.291 370 I C -1.946 174.116 176.117 -0.090 0.000 1.244 370 I CA -0.575 60.699 61.300 -0.043 0.000 1.042 370 I CB 1.770 39.748 38.000 -0.037 0.000 1.277 370 I HN 0.785 nan 8.210 nan 0.000 0.423 371 D N 5.529 125.873 120.400 -0.093 0.000 2.549 371 D HA 0.236 4.876 4.640 0.000 0.000 0.270 371 D C 1.106 177.280 176.300 -0.209 0.000 1.181 371 D CA -0.251 53.680 54.000 -0.116 0.000 1.070 371 D CB 0.897 41.660 40.800 -0.062 0.000 1.154 371 D HN 0.316 nan 8.370 nan 0.000 0.602 372 V N -2.209 117.605 119.914 -0.167 0.000 3.026 372 V HA -0.111 4.009 4.120 0.000 0.000 0.265 372 V C 0.816 176.854 176.094 -0.092 0.000 1.121 372 V CA 1.414 63.601 62.300 -0.189 0.000 1.142 372 V CB -1.439 30.327 31.823 -0.095 0.000 0.730 372 V HN 0.476 nan 8.190 nan 0.000 0.503 373 N N -0.584 118.111 118.700 -0.008 0.000 2.398 373 N HA 0.304 5.044 4.740 0.000 0.000 0.188 373 N C 0.167 175.870 175.510 0.321 0.000 1.122 373 N CA 0.567 53.705 53.050 0.147 0.000 0.866 373 N CB -0.004 38.532 38.487 0.082 0.000 0.970 373 N HN 0.458 nan 8.380 nan 0.000 0.462 374 F N -1.077 118.878 119.950 0.008 0.000 2.794 374 F HA -0.286 4.242 4.527 0.000 0.000 0.335 374 F C 0.057 175.870 175.800 0.023 0.000 0.653 374 F CA 0.005 58.016 58.000 0.018 0.000 1.266 374 F CB -1.811 37.201 39.000 0.020 0.000 1.666 374 F HN 0.130 nan 8.300 nan 0.000 0.314 375 N N 1.284 120.061 118.700 0.128 0.000 2.407 375 N HA 0.339 5.079 4.740 0.000 0.000 0.250 375 N C -0.073 175.472 175.510 0.058 0.000 1.236 375 N CA 0.345 53.441 53.050 0.078 0.000 0.879 375 N CB 1.154 39.660 38.487 0.032 0.000 1.088 375 N HN -0.001 nan 8.380 nan 0.000 0.450 376 V N 2.079 122.030 119.914 0.060 0.000 2.540 376 V HA 0.257 4.377 4.120 0.000 0.000 0.302 376 V C 0.051 176.123 176.094 -0.035 0.000 1.035 376 V CA -0.984 61.334 62.300 0.031 0.000 0.873 376 V CB 1.875 33.759 31.823 0.103 0.000 0.992 376 V HN 0.583 nan 8.190 nan 0.000 0.428 377 N N 3.503 122.171 118.700 -0.053 0.000 2.425 377 N HA 0.671 5.411 4.740 0.000 0.000 0.268 377 N C -0.671 174.773 175.510 -0.111 0.000 0.991 377 N CA -0.247 52.760 53.050 -0.071 0.000 0.931 377 N CB 1.732 40.197 38.487 -0.037 0.000 1.130 377 N HN 0.607 nan 8.380 nan 0.000 0.493 381 G N 0.500 109.314 108.800 0.023 0.000 2.535 381 G HA2 0.478 4.438 3.960 0.000 0.000 0.282 381 G HA3 0.478 4.438 3.960 0.000 0.000 0.282 381 G C 1.255 176.167 174.900 0.019 0.000 1.350 381 G CA -0.120 44.988 45.100 0.014 0.000 1.039 381 G HN 1.525 nan 8.290 nan 0.000 0.509 382 S N -0.434 115.269 115.700 0.005 0.000 2.447 382 S HA -0.161 4.309 4.470 0.000 0.000 0.233 382 S C 1.626 176.217 174.600 -0.015 0.000 1.006 382 S CA 1.425 59.625 58.200 0.000 0.000 0.957 382 S CB -0.336 62.858 63.200 -0.010 0.000 0.773 382 S HN 0.671 nan 8.310 nan 0.000 0.507 383 N N 1.158 119.841 118.700 -0.029 0.000 2.398 383 N HA 0.264 5.005 4.740 0.000 0.000 0.188 383 N C 1.219 176.671 175.510 -0.097 0.000 1.122 383 N CA 0.565 53.572 53.050 -0.072 0.000 0.866 383 N CB -0.579 37.868 38.487 -0.067 0.000 0.970 383 N HN 0.574 nan 8.380 nan 0.000 0.462 384 G N -0.998 107.804 108.800 0.004 0.000 2.159 384 G HA2 -0.267 3.694 3.960 0.000 0.000 0.256 384 G HA3 -0.267 3.694 3.960 0.000 0.000 0.256 384 G C -0.260 174.726 174.900 0.144 0.000 0.977 384 G CA 0.380 45.568 45.100 0.146 0.000 0.652 384 G HN 0.316 nan 8.290 nan 0.000 0.531 385 V N 1.494 121.439 119.914 0.052 0.000 2.686 385 V HA 0.461 4.581 4.120 0.000 0.000 0.295 385 V C 1.320 177.438 176.094 0.040 0.000 1.057 385 V CA -0.662 61.663 62.300 0.042 0.000 1.012 385 V CB 1.658 33.486 31.823 0.008 0.000 1.006 385 V HN 0.309 nan 8.190 nan 0.000 0.477 386 L N 5.133 126.377 121.223 0.035 0.000 2.530 386 L HA 0.318 4.659 4.340 0.000 0.000 0.273 386 L C 0.521 177.400 176.870 0.015 0.000 1.141 386 L CA 0.374 55.225 54.840 0.020 0.000 0.905 386 L CB -0.179 41.888 42.059 0.012 0.000 1.202 386 L HN 0.623 nan 8.230 nan 0.000 0.473 387 R N 2.882 123.388 120.500 0.010 0.000 2.994 387 R HA 0.514 4.854 4.340 0.000 0.000 0.219 387 R C -0.763 175.541 176.300 0.006 0.000 1.645 387 R CA 0.268 56.375 56.100 0.011 0.000 1.362 387 R CB 0.598 30.905 30.300 0.011 0.000 1.572 387 R HN 0.682 nan 8.270 nan 0.000 0.659 388 G N 0.034 108.835 108.800 0.002 0.000 2.341 388 G HA2 0.650 4.610 3.960 0.000 0.000 0.299 388 G HA3 0.650 4.610 3.960 0.000 0.000 0.299 388 G C -1.762 173.130 174.900 -0.015 0.000 1.274 388 G CA -0.112 44.984 45.100 -0.007 0.000 0.853 388 G HN 0.675 nan 8.290 nan 0.000 0.493 389 A N -1.064 121.739 122.820 -0.028 0.000 2.540 389 A HA 0.794 5.114 4.320 0.000 0.000 0.297 389 A C 0.633 178.177 177.584 -0.066 0.000 1.056 389 A CA 0.849 52.859 52.037 -0.045 0.000 0.700 389 A CB 1.313 20.302 19.000 -0.018 0.000 1.280 389 A HN 1.810 nan 8.150 nan 0.000 0.398 390 S N 1.648 117.296 115.700 -0.087 0.000 2.329 390 S HA 0.349 4.819 4.470 0.000 0.000 0.215 390 S C 1.464 176.005 174.600 -0.097 0.000 1.031 390 S CA 2.554 60.707 58.200 -0.078 0.000 0.985 390 S CB -0.755 62.413 63.200 -0.054 0.000 0.917 390 S HN 2.821 nan 8.310 nan 0.000 0.441 391 G N -0.250 108.370 108.800 -0.300 0.000 2.539 391 G HA2 -0.146 3.814 3.960 0.000 0.000 0.256 391 G HA3 -0.146 3.814 3.960 0.000 0.000 0.256 391 G C 0.525 175.222 174.900 -0.337 0.000 1.233 391 G CA 0.018 44.742 45.100 -0.626 0.000 0.936 391 G HN 1.279 nan 8.290 nan 0.000 0.571 392 G N -1.091 107.755 108.800 0.077 0.000 3.434 392 G HA2 0.372 4.332 3.960 0.000 0.000 0.258 392 G HA3 0.372 4.332 3.960 0.000 0.000 0.258 392 G C 1.000 175.989 174.900 0.147 0.000 1.128 392 G CA 1.273 46.503 45.100 0.216 0.000 0.792 392 G HN 0.833 nan 8.290 nan 0.000 0.539 393 H N 2.225 121.326 119.070 0.052 0.000 2.253 393 H HA -0.174 4.382 4.556 0.000 0.000 0.296 393 H C 2.707 178.062 175.328 0.045 0.000 1.074 393 H CA 2.167 58.248 56.048 0.055 0.000 1.263 393 H CB -0.335 29.452 29.762 0.041 0.000 1.363 393 H HN 0.447 nan 8.280 nan 0.000 0.489 394 S N 0.003 115.846 115.700 0.237 0.000 2.447 394 S HA -0.093 4.377 4.470 0.000 0.000 0.233 394 S C 1.536 176.156 174.600 0.033 0.000 1.006 394 S CA 1.163 59.466 58.200 0.172 0.000 0.957 394 S CB 0.021 63.332 63.200 0.185 0.000 0.773 394 S HN 0.380 nan 8.310 nan 0.000 0.507 395 D N 2.338 122.726 120.400 -0.020 0.000 2.091 395 D HA -0.059 4.581 4.640 0.000 0.000 0.199 395 D C 2.432 178.675 176.300 -0.096 0.000 0.980 395 D CA 2.084 56.028 54.000 -0.094 0.000 0.831 395 D CB -0.933 39.789 40.800 -0.130 0.000 0.987 395 D HN 0.719 nan 8.370 nan 0.000 0.460 396 T N -0.323 114.180 114.554 -0.085 0.000 2.867 396 T HA 0.026 4.376 4.350 0.000 0.000 0.268 396 T C 2.141 176.811 174.700 -0.050 0.000 1.057 396 T CA 1.316 63.372 62.100 -0.073 0.000 1.136 396 T CB -0.269 68.586 68.868 -0.021 0.000 0.874 396 T HN 0.085 nan 8.240 nan 0.000 0.466 397 A N 2.048 124.843 122.820 -0.042 0.000 1.877 397 A HA 0.306 4.626 4.320 0.000 0.000 0.216 397 A C 2.817 180.407 177.584 0.010 0.000 1.186 397 A CA 1.899 53.924 52.037 -0.020 0.000 0.620 397 A CB -1.407 17.604 19.000 0.018 0.000 0.822 397 A HN 0.757 nan 8.150 nan 0.000 0.443 398 A N -1.018 121.822 122.820 0.033 0.000 2.015 398 A HA 0.214 4.534 4.320 0.000 0.000 0.219 398 A C 2.229 179.822 177.584 0.015 0.000 1.163 398 A CA 1.773 53.842 52.037 0.053 0.000 0.646 398 A CB -0.884 18.165 19.000 0.082 0.000 0.806 398 A HN 0.706 nan 8.150 nan 0.000 0.448 399 G N -0.970 107.821 108.800 -0.014 0.000 2.595 399 G HA2 0.395 4.355 3.960 0.000 0.000 0.213 399 G HA3 0.395 4.355 3.960 0.000 0.000 0.213 399 G C 0.740 175.630 174.900 -0.018 0.000 1.141 399 G CA 0.620 45.710 45.100 -0.017 0.000 0.806 399 G HN 0.752 nan 8.290 nan 0.000 0.530 400 A N 0.798 123.598 122.820 -0.035 0.000 2.388 400 A HA 0.417 4.737 4.320 0.000 0.000 0.257 400 A C 1.008 178.532 177.584 -0.100 0.000 1.095 400 A CA -0.106 51.892 52.037 -0.066 0.000 0.791 400 A CB 0.463 19.418 19.000 -0.075 0.000 1.029 400 A HN 0.116 nan 8.150 nan 0.000 0.489 401 D N -0.105 120.190 120.400 -0.174 0.000 2.144 401 D HA -0.042 4.598 4.640 0.000 0.000 0.199 401 D C 0.250 176.329 176.300 -0.369 0.000 0.984 401 D CA 1.627 55.459 54.000 -0.280 0.000 0.834 401 D CB -0.097 40.388 40.800 -0.525 0.000 0.955 401 D HN 0.369 nan 8.370 nan 0.000 0.465 402 L N -0.153 120.842 121.223 -0.380 0.000 2.476 402 L HA 0.377 4.717 4.340 0.000 0.000 0.269 402 L C -1.260 175.524 176.870 -0.143 0.000 0.965 402 L CA -0.216 54.463 54.840 -0.267 0.000 0.845 402 L CB 2.438 44.278 42.059 -0.366 0.000 1.259 402 L HN -0.347 nan 8.230 nan 0.000 0.403 403 T N 6.581 121.086 114.554 -0.082 0.000 2.779 403 T HA 0.659 5.009 4.350 0.000 0.000 0.280 403 T C -0.343 174.347 174.700 -0.017 0.000 0.987 403 T CA -0.099 61.971 62.100 -0.050 0.000 0.966 403 T CB 0.775 69.621 68.868 -0.037 0.000 0.933 403 T HN 0.450 nan 8.240 nan 0.000 0.442 404 I N 4.435 124.999 120.570 -0.009 0.000 2.436 404 I HA 0.424 4.594 4.170 0.000 0.000 0.289 404 I C -0.533 175.604 176.117 0.034 0.000 1.010 404 I CA -1.029 60.283 61.300 0.021 0.000 1.098 404 I CB 1.662 39.670 38.000 0.013 0.000 1.266 404 I HN 0.348 nan 8.210 nan 0.000 0.434 405 I N 5.223 125.835 120.570 0.071 0.000 2.353 405 I HA 0.288 4.459 4.170 0.000 0.000 0.293 405 I C 0.384 176.544 176.117 0.071 0.000 0.992 405 I CA -0.274 61.077 61.300 0.084 0.000 1.268 405 I CB 1.530 39.604 38.000 0.124 0.000 1.387 405 I HN 0.549 nan 8.210 nan 0.000 0.478 406 T N 2.845 117.437 114.554 0.063 0.000 2.786 406 T HA 0.885 5.236 4.350 0.000 0.000 0.283 406 T C -0.463 174.269 174.700 0.053 0.000 0.992 406 T CA -0.757 61.374 62.100 0.052 0.000 0.954 406 T CB 1.949 70.844 68.868 0.045 0.000 0.934 406 T HN 0.820 nan 8.240 nan 0.000 0.440 407 A N 4.291 127.138 122.820 0.046 0.000 2.589 407 A HA 0.850 5.171 4.320 0.000 0.000 0.296 407 A C -3.086 174.520 177.584 0.038 0.000 1.062 407 A CA -1.774 50.287 52.037 0.039 0.000 0.686 407 A CB 1.239 20.259 19.000 0.034 0.000 1.282 407 A HN 0.631 nan 8.150 nan 0.000 0.404 408 P HA 0.082 nan 4.420 nan 0.000 0.268 408 P C 0.868 178.188 177.300 0.033 0.000 1.208 408 P CA -0.183 62.946 63.100 0.048 0.000 0.777 408 P CB 0.698 32.423 31.700 0.042 0.000 0.875 409 L N 3.111 124.362 121.223 0.046 0.000 2.131 409 L HA -0.047 4.293 4.340 0.000 0.000 0.210 409 L C 0.468 177.302 176.870 -0.060 0.000 1.092 409 L CA 1.865 56.681 54.840 -0.040 0.000 0.759 409 L CB 0.053 42.005 42.059 -0.179 0.000 0.903 409 L HN 0.149 nan 8.230 nan 0.000 0.435 410 V N -0.179 119.718 119.914 -0.029 0.000 2.808 410 V HA 0.414 4.534 4.120 0.000 0.000 0.308 410 V C -0.456 175.637 176.094 -0.002 0.000 1.099 410 V CA -0.747 61.536 62.300 -0.028 0.000 0.920 410 V CB 2.112 33.910 31.823 -0.041 0.000 1.014 410 V HN 0.055 nan 8.190 nan 0.000 0.425 411 R N 2.776 123.273 120.500 -0.005 0.000 2.335 411 R HA 0.567 4.908 4.340 0.000 0.000 0.302 411 R C 0.882 177.181 176.300 -0.001 0.000 1.147 411 R CA 0.412 56.514 56.100 0.002 0.000 1.111 411 R CB 1.248 31.550 30.300 0.003 0.000 1.122 411 R HN 1.158 nan 8.270 nan 0.000 0.557 412 G N 2.359 111.160 108.800 0.002 0.000 2.574 412 G HA2 -0.381 3.579 3.960 0.000 0.000 0.301 412 G HA3 -0.381 3.579 3.960 0.000 0.000 0.301 412 G C 0.776 175.672 174.900 -0.006 0.000 1.166 412 G CA -0.106 44.994 45.100 -0.000 0.000 0.971 412 G HN 0.503 nan 8.290 nan 0.000 0.542 413 R N 0.583 121.077 120.500 -0.009 0.000 2.310 413 R HA 0.278 4.618 4.340 0.000 0.000 0.202 413 R C 0.810 177.099 176.300 -0.018 0.000 0.933 413 R CA 0.346 56.438 56.100 -0.014 0.000 1.054 413 R CB -0.032 30.259 30.300 -0.014 0.000 0.985 413 R HN 0.549 nan 8.270 nan 0.000 0.489 414 I N 3.578 124.138 120.570 -0.016 0.000 2.339 414 I HA 0.218 4.388 4.170 0.000 0.000 0.290 414 I C -2.176 173.927 176.117 -0.024 0.000 0.994 414 I CA -2.429 58.860 61.300 -0.019 0.000 1.191 414 I CB 1.839 39.831 38.000 -0.014 0.000 1.343 414 I HN -0.273 nan 8.210 nan 0.000 0.458 415 P HA 0.121 nan 4.420 nan 0.000 0.275 415 P C 0.090 177.369 177.300 -0.035 0.000 1.227 415 P CA -0.336 62.739 63.100 -0.041 0.000 0.781 415 P CB 1.335 33.006 31.700 -0.048 0.000 0.906 416 C N 1.827 121.104 119.300 -0.038 0.000 2.504 416 C HA 0.074 4.534 4.460 0.000 0.000 0.279 416 C C 1.133 176.096 174.990 -0.046 0.000 1.358 416 C CA -0.030 58.969 59.018 -0.031 0.000 1.747 416 C CB -0.379 27.349 27.740 -0.019 0.000 2.037 416 C HN 0.329 nan 8.230 nan 0.000 0.503 417 V N 3.536 123.411 119.914 -0.064 0.000 2.385 417 V HA 0.532 4.652 4.120 0.000 0.000 0.269 417 V C 0.099 176.146 176.094 -0.078 0.000 1.043 417 V CA 0.062 62.310 62.300 -0.087 0.000 0.906 417 V CB 0.522 32.281 31.823 -0.106 0.000 0.995 417 V HN 0.351 nan 8.190 nan 0.000 0.467 418 V N 1.516 121.384 119.914 -0.076 0.000 3.126 418 V HA 0.584 4.704 4.120 0.000 0.000 0.314 418 V C 0.850 176.906 176.094 -0.063 0.000 1.138 418 V CA -0.646 61.618 62.300 -0.058 0.000 1.034 418 V CB 1.935 33.735 31.823 -0.038 0.000 1.075 418 V HN 0.595 nan 8.190 nan 0.000 0.442 419 E N 0.448 120.620 120.200 -0.046 0.000 2.058 419 E HA -0.053 4.297 4.350 0.000 0.000 0.194 419 E C 0.626 177.205 176.600 -0.035 0.000 0.997 419 E CA 1.897 58.273 56.400 -0.039 0.000 0.801 419 E CB 0.119 29.804 29.700 -0.025 0.000 0.746 419 E HN 0.652 nan 8.360 nan 0.000 0.450 420 K N 0.110 120.494 120.400 -0.027 0.000 2.565 420 K HA 0.185 4.505 4.320 0.000 0.000 0.251 420 K C -0.941 175.650 176.600 -0.015 0.000 0.956 420 K CA -0.600 55.675 56.287 -0.021 0.000 0.809 420 K CB 1.646 34.138 32.500 -0.015 0.000 1.267 420 K HN -0.020 nan 8.250 nan 0.000 0.438 421 V N 2.891 122.794 119.914 -0.018 0.000 2.963 421 V HA 0.128 4.248 4.120 0.000 0.000 0.306 421 V C 1.405 177.494 176.094 -0.008 0.000 1.077 421 V CA -0.206 62.087 62.300 -0.013 0.000 1.124 421 V CB 0.586 32.398 31.823 -0.018 0.000 0.987 421 V HN 0.903 nan 8.190 nan 0.000 0.487 422 L N 1.650 122.880 121.223 0.011 0.000 2.083 422 L HA 0.029 4.369 4.340 0.000 0.000 0.209 422 L C 1.112 177.951 176.870 -0.052 0.000 1.083 422 L CA 1.532 56.379 54.840 0.013 0.000 0.752 422 L CB -0.437 41.683 42.059 0.102 0.000 0.899 422 L HN 0.922 nan 8.230 nan 0.000 0.433 423 T N -0.763 113.769 114.554 -0.037 0.000 3.011 423 T HA 0.243 4.593 4.350 0.000 0.000 0.303 423 T C -0.355 174.322 174.700 -0.038 0.000 0.997 423 T CA -0.477 61.593 62.100 -0.051 0.000 1.007 423 T CB 2.003 70.844 68.868 -0.046 0.000 1.017 423 T HN -0.154 nan 8.240 nan 0.000 0.443 424 T N 2.918 117.451 114.554 -0.036 0.000 2.780 424 T HA 0.350 4.700 4.350 0.000 0.000 0.294 424 T C 1.063 175.759 174.700 -0.005 0.000 0.949 424 T CA -0.366 61.723 62.100 -0.019 0.000 1.074 424 T CB 1.194 70.050 68.868 -0.020 0.000 0.910 424 T HN 0.349 nan 8.240 nan 0.000 0.501 425 V N 2.631 122.546 119.914 0.002 0.000 2.854 425 V HA 0.137 4.257 4.120 0.000 0.000 0.236 425 V C 1.086 177.250 176.094 0.116 0.000 1.157 425 V CA 0.593 62.910 62.300 0.029 0.000 1.187 425 V CB 0.491 32.286 31.823 -0.047 0.000 0.949 425 V HN 0.783 nan 8.190 nan 0.000 0.488 426 T N 3.782 118.402 114.554 0.109 0.000 2.758 426 T HA 0.418 4.768 4.350 0.000 0.000 0.285 426 T C -2.713 172.065 174.700 0.130 0.000 0.981 426 T CA -1.064 61.158 62.100 0.203 0.000 0.965 426 T CB 1.799 70.863 68.868 0.326 0.000 0.927 426 T HN 0.179 nan 8.240 nan 0.000 0.448 427 P HA 0.186 nan 4.420 nan 0.000 0.275 427 P C 1.120 178.459 177.300 0.065 0.000 1.227 427 P CA -0.235 62.875 63.100 0.017 0.000 0.781 427 P CB 0.820 32.457 31.700 -0.106 0.000 0.906 428 G N 2.596 111.444 108.800 0.080 0.000 2.462 428 G HA2 -0.278 3.683 3.960 0.000 0.000 0.220 428 G HA3 -0.278 3.683 3.960 0.000 0.000 0.220 428 G C 1.527 176.460 174.900 0.055 0.000 1.121 428 G CA 0.821 46.003 45.100 0.136 0.000 0.758 428 G HN 0.600 nan 8.290 nan 0.000 0.559 429 A N 0.843 123.673 122.820 0.016 0.000 2.125 429 A HA 0.085 4.405 4.320 0.000 0.000 0.219 429 A C 2.462 180.041 177.584 -0.008 0.000 1.156 429 A CA 2.139 54.167 52.037 -0.014 0.000 0.671 429 A CB -0.283 18.706 19.000 -0.019 0.000 0.794 429 A HN 0.751 nan 8.150 nan 0.000 0.459 430 S N -1.648 114.065 115.700 0.023 0.000 2.539 430 S HA 0.352 4.822 4.470 0.000 0.000 0.221 430 S C 0.031 174.647 174.600 0.026 0.000 0.987 430 S CA -0.131 58.089 58.200 0.033 0.000 0.929 430 S CB -0.008 63.239 63.200 0.078 0.000 0.832 430 S HN 0.057 nan 8.310 nan 0.000 0.492 431 V N 3.011 122.944 119.914 0.030 0.000 2.370 431 V HA 0.359 4.479 4.120 0.000 0.000 0.279 431 V C 0.088 176.139 176.094 -0.072 0.000 1.029 431 V CA -0.486 61.841 62.300 0.045 0.000 0.870 431 V CB 1.424 33.351 31.823 0.174 0.000 0.984 431 V HN 0.279 nan 8.190 nan 0.000 0.451 432 D N 2.830 123.194 120.400 -0.059 0.000 2.431 432 D HA 0.159 4.799 4.640 0.000 0.000 0.235 432 D C 0.135 176.372 176.300 -0.107 0.000 0.980 432 D CA 1.018 54.947 54.000 -0.119 0.000 0.912 432 D CB 1.295 42.058 40.800 -0.061 0.000 1.056 432 D HN 0.373 nan 8.370 nan 0.000 0.494 433 V N 1.430 121.356 119.914 0.021 0.000 2.808 433 V HA 0.309 4.429 4.120 0.000 0.000 0.308 433 V C -1.181 175.016 176.094 0.172 0.000 1.099 433 V CA -0.992 61.363 62.300 0.092 0.000 0.920 433 V CB 2.968 34.823 31.823 0.054 0.000 1.014 433 V HN -0.041 nan 8.190 nan 0.000 0.425 434 L N 5.494 126.857 121.223 0.233 0.000 2.305 434 L HA 0.817 5.157 4.340 0.000 0.000 0.284 434 L C -0.814 176.116 176.870 0.099 0.000 1.013 434 L CA -0.012 54.926 54.840 0.163 0.000 0.819 434 L CB 1.704 43.851 42.059 0.147 0.000 1.227 434 L HN 0.459 nan 8.230 nan 0.000 0.417 435 V N 4.451 124.406 119.914 0.069 0.000 2.417 435 V HA 0.730 4.850 4.120 0.000 0.000 0.291 435 V C 0.365 176.485 176.094 0.042 0.000 1.024 435 V CA 0.044 62.372 62.300 0.047 0.000 0.861 435 V CB 1.410 33.251 31.823 0.030 0.000 0.985 435 V HN 0.960 nan 8.190 nan 0.000 0.436 436 T N -0.328 114.253 114.554 0.045 0.000 2.773 436 T HA 0.384 4.734 4.350 0.000 0.000 0.278 436 T C 0.425 175.160 174.700 0.059 0.000 1.011 436 T CA -0.204 61.930 62.100 0.057 0.000 1.014 436 T CB 1.825 70.735 68.868 0.070 0.000 1.293 436 T HN 0.564 nan 8.240 nan 0.000 0.554 437 D N -1.045 119.412 120.400 0.094 0.000 2.355 437 D HA 0.037 4.677 4.640 0.000 0.000 0.218 437 D C 0.935 177.213 176.300 -0.036 0.000 1.004 437 D CA 0.691 54.715 54.000 0.039 0.000 0.880 437 D CB -0.416 40.407 40.800 0.038 0.000 0.911 437 D HN 0.698 nan 8.370 nan 0.000 0.528 438 H N -0.502 118.561 119.070 -0.012 0.000 2.755 438 H HA 0.534 5.090 4.556 0.000 0.000 0.273 438 H C 0.938 176.260 175.328 -0.010 0.000 1.055 438 H CA 0.471 56.513 56.048 -0.011 0.000 1.191 438 H CB 1.255 31.010 29.762 -0.012 0.000 1.536 438 H HN 0.309 nan 8.280 nan 0.000 0.529 439 G N -0.157 108.691 108.800 0.081 0.000 2.351 439 G HA2 0.031 3.991 3.960 0.000 0.000 0.353 439 G HA3 0.031 3.991 3.960 0.000 0.000 0.353 439 G C -1.403 173.526 174.900 0.048 0.000 1.358 439 G CA -0.967 44.162 45.100 0.048 0.000 0.995 439 G HN 0.075 nan 8.290 nan 0.000 0.611 440 I N 0.672 121.267 120.570 0.041 0.000 2.437 440 I HA 0.696 4.866 4.170 0.000 0.000 0.298 440 I C 0.628 176.789 176.117 0.074 0.000 0.984 440 I CA -0.648 60.684 61.300 0.053 0.000 1.214 440 I CB 1.953 39.977 38.000 0.040 0.000 1.365 440 I HN 0.998 nan 8.210 nan 0.000 0.469 441 A N 5.560 128.450 122.820 0.116 0.000 2.398 441 A HA 0.780 5.100 4.320 0.000 0.000 0.301 441 A C -1.077 176.665 177.584 0.263 0.000 1.041 441 A CA -0.516 51.628 52.037 0.178 0.000 0.711 441 A CB 1.517 20.621 19.000 0.173 0.000 1.240 441 A HN 0.408 nan 8.150 nan 0.000 0.420 442 V N 2.853 122.880 119.914 0.189 0.000 2.459 442 V HA 0.287 4.407 4.120 0.000 0.000 0.295 442 V C 0.393 176.418 176.094 -0.115 0.000 1.029 442 V CA -1.060 61.268 62.300 0.047 0.000 0.874 442 V CB 1.712 33.542 31.823 0.013 0.000 0.985 442 V HN 0.929 nan 8.190 nan 0.000 0.438 443 N N 6.810 125.166 118.700 -0.573 0.000 2.365 443 N HA 0.034 4.774 4.740 0.000 0.000 0.265 443 N C -1.457 173.853 175.510 -0.333 0.000 1.288 443 N CA -1.143 51.338 53.050 -0.949 0.000 0.869 443 N CB 1.464 39.389 38.487 -0.938 0.000 1.071 443 N HN 0.367 nan 8.380 nan 0.000 0.480 444 P HA -0.061 nan 4.420 nan 0.000 0.236 444 P C 0.433 177.695 177.300 -0.064 0.000 1.172 444 P CA 0.589 63.655 63.100 -0.057 0.000 0.759 444 P CB 0.079 31.786 31.700 0.012 0.000 0.843 445 A N -0.298 122.458 122.820 -0.106 0.000 2.169 445 A HA 0.005 4.325 4.320 0.000 0.000 0.212 445 A C 1.413 178.959 177.584 -0.063 0.000 1.153 445 A CA 0.531 52.523 52.037 -0.075 0.000 0.756 445 A CB -0.349 18.599 19.000 -0.085 0.000 0.813 445 A HN -0.044 nan 8.150 nan 0.000 0.471 446 R N 0.214 120.667 120.500 -0.078 0.000 3.256 446 R HA 0.206 4.546 4.340 0.000 0.000 0.263 446 R C 0.572 176.857 176.300 -0.026 0.000 1.388 446 R CA -0.186 55.887 56.100 -0.046 0.000 1.580 446 R CB 0.406 30.673 30.300 -0.056 0.000 1.255 446 R HN 0.489 nan 8.270 nan 0.000 0.640 447 Q N 1.773 121.562 119.800 -0.018 0.000 2.124 447 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 447 Q C 1.367 177.361 176.000 -0.009 0.000 0.977 447 Q CA 2.147 57.942 55.803 -0.013 0.000 0.850 447 Q CB 0.149 28.881 28.738 -0.010 0.000 0.901 447 Q HN 0.528 nan 8.270 nan 0.000 0.429 448 D N -0.426 119.970 120.400 -0.007 0.000 2.116 448 D HA -0.230 4.410 4.640 0.000 0.000 0.193 448 D C 1.704 178.000 176.300 -0.007 0.000 0.998 448 D CA 1.208 55.202 54.000 -0.011 0.000 0.836 448 D CB -0.477 40.316 40.800 -0.012 0.000 0.951 448 D HN 0.288 nan 8.370 nan 0.000 0.449 449 L N 0.479 121.709 121.223 0.012 0.000 2.042 449 L HA -0.088 4.252 4.340 0.000 0.000 0.210 449 L C 2.818 179.694 176.870 0.011 0.000 1.076 449 L CA 1.128 55.982 54.840 0.025 0.000 0.749 449 L CB -0.838 41.243 42.059 0.036 0.000 0.893 449 L HN 0.085 nan 8.230 nan 0.000 0.432 450 L N -0.958 120.265 121.223 0.001 0.000 2.012 450 L HA -0.260 4.080 4.340 0.000 0.000 0.210 450 L C 2.259 179.126 176.870 -0.005 0.000 1.073 450 L CA 1.385 56.225 54.840 -0.000 0.000 0.748 450 L CB -0.705 41.353 42.059 -0.003 0.000 0.891 450 L HN 0.291 nan 8.230 nan 0.000 0.431 451 D N -0.231 120.164 120.400 -0.008 0.000 2.104 451 D HA -0.171 4.469 4.640 0.000 0.000 0.194 451 D C 1.931 178.222 176.300 -0.015 0.000 0.994 451 D CA 1.268 55.261 54.000 -0.013 0.000 0.830 451 D CB -0.424 40.367 40.800 -0.015 0.000 0.959 451 D HN 0.286 nan 8.370 nan 0.000 0.452 452 N N 0.216 118.908 118.700 -0.013 0.000 2.142 452 N HA -0.047 4.693 4.740 0.000 0.000 0.186 452 N C 1.994 177.502 175.510 -0.003 0.000 1.023 452 N CA 0.466 53.511 53.050 -0.008 0.000 0.852 452 N CB -0.365 38.116 38.487 -0.009 0.000 0.998 452 N HN 0.203 nan 8.380 nan 0.000 0.424 453 L N 0.010 121.234 121.223 0.002 0.000 2.179 453 L HA 0.026 4.366 4.340 0.000 0.000 0.208 453 L C 2.292 179.136 176.870 -0.044 0.000 1.096 453 L CA 0.709 55.544 54.840 -0.008 0.000 0.779 453 L CB -0.134 41.934 42.059 0.015 0.000 0.922 453 L HN 0.076 nan 8.230 nan 0.000 0.443 454 R N 0.121 120.602 120.500 -0.032 0.000 2.062 454 R HA -0.091 4.249 4.340 0.000 0.000 0.231 454 R C 2.491 178.759 176.300 -0.053 0.000 1.136 454 R CA 1.385 57.463 56.100 -0.038 0.000 0.948 454 R CB -0.574 29.712 30.300 -0.023 0.000 0.845 454 R HN 0.305 nan 8.270 nan 0.000 0.430 455 A N 0.927 123.720 122.820 -0.045 0.000 1.986 455 A HA -0.169 4.151 4.320 0.000 0.000 0.220 455 A C 2.100 179.636 177.584 -0.080 0.000 1.171 455 A CA 1.910 53.919 52.037 -0.048 0.000 0.640 455 A CB -0.579 18.403 19.000 -0.031 0.000 0.811 455 A HN 0.440 nan 8.150 nan 0.000 0.451 456 A N -1.760 120.981 122.820 -0.131 0.000 2.251 456 A HA 0.436 4.756 4.320 0.000 0.000 0.209 456 A C 1.617 179.024 177.584 -0.295 0.000 1.187 456 A CA 1.037 52.910 52.037 -0.273 0.000 0.823 456 A CB -0.999 17.690 19.000 -0.518 0.000 0.846 456 A HN 1.952 nan 8.150 nan 0.000 0.486 457 G N -0.676 108.023 108.800 -0.169 0.000 2.225 457 G HA2 -0.167 3.793 3.960 0.000 0.000 0.264 457 G HA3 -0.167 3.793 3.960 0.000 0.000 0.264 457 G C -0.019 174.807 174.900 -0.124 0.000 1.060 457 G CA 0.180 45.206 45.100 -0.122 0.000 0.833 457 G HN 0.782 nan 8.290 nan 0.000 0.498 458 V N 0.646 120.487 119.914 -0.123 0.000 2.432 458 V HA 0.653 4.773 4.120 0.000 0.000 0.271 458 V C 1.061 177.131 176.094 -0.040 0.000 1.046 458 V CA -0.262 61.994 62.300 -0.073 0.000 0.945 458 V CB 1.193 32.987 31.823 -0.048 0.000 0.992 458 V HN 1.145 nan 8.190 nan 0.000 0.471 459 A N 6.928 129.731 122.820 -0.029 0.000 2.450 459 A HA 0.653 4.973 4.320 0.000 0.000 0.255 459 A C -0.258 177.325 177.584 -0.002 0.000 1.096 459 A CA 0.013 52.040 52.037 -0.016 0.000 0.778 459 A CB 0.062 19.053 19.000 -0.016 0.000 1.031 459 A HN 0.810 nan 8.150 nan 0.000 0.494 463 I N 0.608 121.190 120.570 0.019 0.000 2.830 463 I HA 0.008 4.178 4.170 0.000 0.000 0.263 463 I C 1.973 178.029 176.117 -0.103 0.000 1.230 463 I CA 1.292 62.520 61.300 -0.120 0.000 1.480 463 I CB -0.002 37.733 38.000 -0.440 0.000 1.095 463 I HN 0.795 nan 8.210 nan 0.000 0.455 464 E N 0.334 120.505 120.200 -0.048 0.000 2.072 464 E HA -0.214 4.136 4.350 0.000 0.000 0.190 464 E C 2.103 178.683 176.600 -0.033 0.000 0.982 464 E CA 1.002 57.378 56.400 -0.039 0.000 0.803 464 E CB -0.123 29.568 29.700 -0.015 0.000 0.755 464 E HN 0.518 nan 8.360 nan 0.000 0.453 465 Q N 0.169 119.958 119.800 -0.018 0.000 2.077 465 Q HA -0.183 4.157 4.340 0.000 0.000 0.206 465 Q C 2.241 178.224 176.000 -0.028 0.000 0.989 465 Q CA 1.282 57.077 55.803 -0.013 0.000 0.853 465 Q CB -0.223 28.517 28.738 0.003 0.000 0.907 465 Q HN 0.307 nan 8.270 nan 0.000 0.418 466 L N 0.362 121.562 121.223 -0.038 0.000 2.056 466 L HA -0.209 4.131 4.340 0.000 0.000 0.207 466 L C 2.764 179.581 176.870 -0.089 0.000 1.078 466 L CA 0.928 55.730 54.840 -0.063 0.000 0.749 466 L CB -0.543 41.480 42.059 -0.059 0.000 0.901 466 L HN 0.311 nan 8.230 nan 0.000 0.433 467 Q N 0.539 120.287 119.800 -0.087 0.000 2.061 467 Q HA -0.269 4.071 4.340 0.000 0.000 0.204 467 Q C 2.115 178.073 176.000 -0.070 0.000 0.984 467 Q CA 1.985 57.738 55.803 -0.085 0.000 0.846 467 Q CB -0.144 28.545 28.738 -0.082 0.000 0.902 467 Q HN 0.583 nan 8.270 nan 0.000 0.421 468 Q N -0.334 119.432 119.800 -0.057 0.000 2.084 468 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 468 Q C 2.179 178.147 176.000 -0.054 0.000 0.978 468 Q CA 1.485 57.261 55.803 -0.046 0.000 0.844 468 Q CB -0.173 28.547 28.738 -0.032 0.000 0.898 468 Q HN 0.119 nan 8.270 nan 0.000 0.426 469 R N 1.015 121.475 120.500 -0.066 0.000 2.105 469 R HA -0.122 4.218 4.340 0.000 0.000 0.239 469 R C 1.868 178.087 176.300 -0.135 0.000 1.135 469 R CA 1.705 57.751 56.100 -0.090 0.000 0.967 469 R CB -0.643 29.596 30.300 -0.101 0.000 0.861 469 R HN 0.254 nan 8.270 nan 0.000 0.442 470 A N 0.101 122.837 122.820 -0.141 0.000 1.929 470 A HA -0.103 4.217 4.320 0.000 0.000 0.216 470 A C 2.095 179.627 177.584 -0.087 0.000 1.176 470 A CA 1.413 53.368 52.037 -0.136 0.000 0.628 470 A CB -0.545 18.381 19.000 -0.124 0.000 0.816 470 A HN 0.560 nan 8.150 nan 0.000 0.444 471 E N -0.485 119.674 120.200 -0.069 0.000 2.150 471 E HA -0.244 4.106 4.350 0.000 0.000 0.193 471 E C 2.123 178.698 176.600 -0.042 0.000 0.985 471 E CA 1.142 57.513 56.400 -0.049 0.000 0.814 471 E CB -0.112 29.564 29.700 -0.041 0.000 0.752 471 E HN 0.775 nan 8.360 nan 0.000 0.466 472 Q N 0.159 119.932 119.800 -0.045 0.000 2.119 472 Q HA -0.128 4.212 4.340 0.000 0.000 0.201 472 Q C 2.085 178.066 176.000 -0.033 0.000 0.972 472 Q CA 1.069 56.851 55.803 -0.034 0.000 0.847 472 Q CB 0.088 28.807 28.738 -0.031 0.000 0.903 472 Q HN 0.356 nan 8.270 nan 0.000 0.433 473 L N -0.277 120.917 121.223 -0.048 0.000 2.418 473 L HA 0.001 4.341 4.340 0.000 0.000 0.218 473 L C 1.854 178.704 176.870 -0.033 0.000 1.125 473 L CA 1.312 56.128 54.840 -0.040 0.000 0.835 473 L CB 0.136 42.158 42.059 -0.061 0.000 0.953 473 L HN 0.379 nan 8.230 nan 0.000 0.454 474 T N -4.499 110.032 114.554 -0.037 0.000 3.043 474 T HA 0.437 4.787 4.350 0.000 0.000 0.272 474 T C 0.901 175.586 174.700 -0.025 0.000 0.990 474 T CA 0.221 62.303 62.100 -0.030 0.000 0.897 474 T CB 0.778 69.626 68.868 -0.034 0.000 1.111 474 T HN 0.331 nan 8.240 nan 0.000 0.529 475 G N 1.696 110.481 108.800 -0.025 0.000 2.782 475 G HA2 -0.152 3.808 3.960 0.000 0.000 0.228 475 G HA3 -0.152 3.808 3.960 0.000 0.000 0.228 475 G C -0.907 173.979 174.900 -0.022 0.000 1.372 475 G CA -0.768 44.319 45.100 -0.021 0.000 0.862 475 G HN 0.618 nan 8.290 nan 0.000 0.547 476 K N 1.621 122.009 120.400 -0.019 0.000 2.234 476 K HA 0.494 4.814 4.320 0.000 0.000 0.282 476 K C -1.804 174.785 176.600 -0.017 0.000 1.039 476 K CA -1.035 55.242 56.287 -0.018 0.000 0.928 476 K CB 1.082 33.573 32.500 -0.015 0.000 1.039 476 K HN 0.455 nan 8.250 nan 0.000 0.470 477 P HA 0.159 nan 4.420 nan 0.000 0.286 477 P C -1.337 175.954 177.300 -0.016 0.000 1.261 477 P CA -0.782 62.307 63.100 -0.018 0.000 0.821 477 P CB 0.909 32.599 31.700 -0.016 0.000 1.013 478 Q N 2.667 122.454 119.800 -0.022 0.000 2.276 478 Q HA 0.242 4.582 4.340 0.000 0.000 0.267 478 Q C -1.949 174.035 176.000 -0.028 0.000 1.135 478 Q CA -0.867 54.921 55.803 -0.025 0.000 0.910 478 Q CB -1.053 27.666 28.738 -0.032 0.000 1.271 478 Q HN 0.321 nan 8.270 nan 0.000 0.417 479 P HA 0.021 nan 4.420 nan 0.000 0.267 479 P C -0.322 176.958 177.300 -0.034 0.000 1.205 479 P CA -0.165 62.934 63.100 -0.001 0.000 0.765 479 P CB 0.352 32.063 31.700 0.018 0.000 0.828 480 I N -0.701 119.823 120.570 -0.077 0.000 2.662 480 I HA 0.293 4.463 4.170 0.000 0.000 0.291 480 I C 0.246 176.193 176.117 -0.284 0.000 1.046 480 I CA -0.709 60.454 61.300 -0.228 0.000 1.361 480 I CB 0.726 38.501 38.000 -0.375 0.000 1.429 480 I HN 0.147 nan 8.210 nan 0.000 0.558 481 E N 4.701 124.732 120.200 -0.281 0.000 1.802 481 E HA 0.268 4.618 4.350 0.000 0.000 0.265 481 E C -0.884 175.574 176.600 -0.236 0.000 1.168 481 E CA -0.037 56.255 56.400 -0.179 0.000 1.033 481 E CB -0.228 29.405 29.700 -0.110 0.000 1.095 481 E HN 0.364 nan 8.360 nan 0.000 0.436 482 F N 0.811 120.754 119.950 -0.012 0.000 2.382 482 F HA 0.098 4.625 4.527 0.000 0.000 0.331 482 F C 1.803 177.597 175.800 -0.010 0.000 1.121 482 F CA -0.401 57.592 58.000 -0.012 0.000 1.183 482 F CB 0.564 39.556 39.000 -0.013 0.000 1.207 482 F HN 0.063 nan 8.300 nan 0.000 0.555 483 T N -2.752 111.919 114.554 0.195 0.000 2.888 483 T HA 0.209 4.559 4.350 0.000 0.000 0.283 483 T C 0.615 175.370 174.700 0.092 0.000 1.013 483 T CA -0.645 61.518 62.100 0.106 0.000 0.938 483 T CB 0.921 69.828 68.868 0.065 0.000 1.298 483 T HN 0.562 nan 8.240 nan 0.000 0.580 484 D N -0.659 119.771 120.400 0.050 0.000 2.348 484 D HA 0.055 4.695 4.640 0.000 0.000 0.211 484 D C 0.828 177.137 176.300 0.014 0.000 0.998 484 D CA 0.078 54.093 54.000 0.026 0.000 0.873 484 D CB 0.220 41.030 40.800 0.016 0.000 0.925 484 D HN 0.392 nan 8.370 nan 0.000 0.524 485 R N 1.083 121.597 120.500 0.024 0.000 2.449 485 R HA 0.106 4.446 4.340 0.000 0.000 0.296 485 R C -0.561 175.743 176.300 0.007 0.000 1.047 485 R CA -0.101 56.008 56.100 0.015 0.000 1.018 485 R CB 0.655 30.968 30.300 0.021 0.000 0.962 485 R HN -0.246 nan 8.270 nan 0.000 0.428 486 V N 6.049 125.957 119.914 -0.010 0.000 2.461 486 V HA 0.029 4.149 4.120 0.000 0.000 0.275 486 V C 0.824 176.907 176.094 -0.019 0.000 1.047 486 V CA -0.030 62.255 62.300 -0.025 0.000 0.955 486 V CB 1.495 33.297 31.823 -0.035 0.000 0.988 486 V HN 0.757 nan 8.190 nan 0.000 0.471 487 V N 4.184 124.086 119.914 -0.019 0.000 3.523 487 V HA 0.582 4.702 4.120 0.000 0.000 0.255 487 V C 0.637 176.711 176.094 -0.033 0.000 1.226 487 V CA 1.162 63.454 62.300 -0.013 0.000 1.092 487 V CB 0.845 32.675 31.823 0.012 0.000 0.817 487 V HN 0.948 nan 8.190 nan 0.000 0.458 488 A N -0.982 121.809 122.820 -0.047 0.000 2.612 488 A HA 0.718 5.038 4.320 0.000 0.000 0.293 488 A C -1.671 175.869 177.584 -0.073 0.000 1.075 488 A CA -0.351 51.645 52.037 -0.069 0.000 0.680 488 A CB 1.944 20.905 19.000 -0.066 0.000 1.279 488 A HN -0.041 nan 8.150 nan 0.000 0.411 489 V N 1.346 121.207 119.914 -0.088 0.000 2.444 489 V HA 0.440 4.560 4.120 0.000 0.000 0.294 489 V C -0.344 175.712 176.094 -0.062 0.000 1.022 489 V CA -0.612 61.646 62.300 -0.071 0.000 0.850 489 V CB 1.620 33.401 31.823 -0.071 0.000 0.992 489 V HN 0.708 nan 8.190 nan 0.000 0.426 490 V N 6.058 125.949 119.914 -0.037 0.000 2.372 490 V HA 0.379 4.499 4.120 0.000 0.000 0.261 490 V C 0.422 176.535 176.094 0.032 0.000 1.055 490 V CA -0.719 61.575 62.300 -0.011 0.000 0.930 490 V CB 0.512 32.330 31.823 -0.008 0.000 1.031 490 V HN 0.694 nan 8.190 nan 0.000 0.479 491 R N 3.527 124.056 120.500 0.048 0.000 2.267 491 R HA 0.277 4.617 4.340 0.000 0.000 0.319 491 R C -0.394 175.991 176.300 0.142 0.000 1.067 491 R CA -0.491 55.666 56.100 0.095 0.000 0.936 491 R CB 0.559 30.922 30.300 0.105 0.000 1.006 491 R HN 0.676 nan 8.270 nan 0.000 0.452 492 Y N 3.425 123.745 120.300 0.033 0.000 2.357 492 Y HA -0.036 4.514 4.550 0.000 0.000 0.340 492 Y C 1.865 177.793 175.900 0.046 0.000 1.260 492 Y CA -0.260 57.861 58.100 0.035 0.000 1.425 492 Y CB 0.819 39.294 38.460 0.024 0.000 1.326 492 Y HN 0.581 nan 8.280 nan 0.000 0.580 493 R N 0.504 120.556 120.500 -0.746 0.000 2.170 493 R HA -0.192 4.148 4.340 0.000 0.000 0.242 493 R C 0.508 176.668 176.300 -0.233 0.000 1.145 493 R CA 1.963 57.788 56.100 -0.459 0.000 0.984 493 R CB -0.760 29.209 30.300 -0.551 0.000 0.869 493 R HN 0.728 nan 8.270 nan 0.000 0.455 494 D N -0.859 119.453 120.400 -0.146 0.000 2.340 494 D HA 0.095 4.735 4.640 0.000 0.000 0.220 494 D C 1.230 177.557 176.300 0.045 0.000 1.039 494 D CA 0.680 54.685 54.000 0.008 0.000 0.866 494 D CB 0.379 41.236 40.800 0.095 0.000 0.913 494 D HN 0.455 nan 8.370 nan 0.000 0.523 495 G N 0.076 108.911 108.800 0.059 0.000 2.213 495 G HA2 -0.285 3.675 3.960 0.000 0.000 0.236 495 G HA3 -0.285 3.675 3.960 0.000 0.000 0.236 495 G C 0.507 175.463 174.900 0.092 0.000 0.991 495 G CA 0.324 45.468 45.100 0.074 0.000 0.629 495 G HN 0.829 nan 8.290 nan 0.000 0.517 496 S N -0.718 115.053 115.700 0.119 0.000 2.596 496 S HA 0.572 5.042 4.470 0.000 0.000 0.260 496 S C 0.537 175.200 174.600 0.105 0.000 1.336 496 S CA 0.201 58.464 58.200 0.104 0.000 0.993 496 S CB 1.973 65.238 63.200 0.108 0.000 0.923 496 S HN 1.800 nan 8.310 nan 0.000 0.567 497 V N 2.546 122.498 119.914 0.064 0.000 2.350 497 V HA 0.462 4.582 4.120 0.000 0.000 0.276 497 V C 0.369 176.480 176.094 0.028 0.000 1.028 497 V CA -0.601 61.726 62.300 0.046 0.000 0.860 497 V CB 0.553 32.387 31.823 0.019 0.000 0.990 497 V HN 1.016 nan 8.190 nan 0.000 0.453 498 I N 4.189 124.782 120.570 0.038 0.000 3.265 498 I HA 0.369 4.539 4.170 0.000 0.000 0.282 498 I C 0.421 176.526 176.117 -0.021 0.000 1.207 498 I CA 0.661 61.960 61.300 -0.002 0.000 1.449 498 I CB 0.369 38.376 38.000 0.011 0.000 1.121 498 I HN 0.747 nan 8.210 nan 0.000 0.442 499 D N -0.423 119.967 120.400 -0.017 0.000 2.653 499 D HA 0.324 4.964 4.640 0.000 0.000 0.258 499 D C -1.373 174.897 176.300 -0.049 0.000 1.252 499 D CA -0.109 53.866 54.000 -0.041 0.000 0.777 499 D CB 2.552 43.324 40.800 -0.048 0.000 1.339 499 D HN -0.084 nan 8.370 nan 0.000 0.422 500 V N -1.115 118.754 119.914 -0.074 0.000 2.919 500 V HA 0.754 4.874 4.120 0.000 0.000 0.316 500 V C -0.210 175.813 176.094 -0.117 0.000 1.077 500 V CA -0.692 61.558 62.300 -0.083 0.000 0.977 500 V CB 1.855 33.631 31.823 -0.079 0.000 1.039 500 V HN 0.463 nan 8.190 nan 0.000 0.441 501 I N 3.076 123.583 120.570 -0.104 0.000 2.389 501 I HA 0.572 4.742 4.170 0.000 0.000 0.288 501 I C 0.187 176.243 176.117 -0.101 0.000 0.999 501 I CA -0.687 60.541 61.300 -0.120 0.000 1.129 501 I CB 1.591 39.554 38.000 -0.062 0.000 1.288 501 I HN 0.617 nan 8.210 nan 0.000 0.444 502 R N 4.481 124.881 120.500 -0.166 0.000 2.532 502 R HA 0.299 4.639 4.340 0.000 0.000 0.272 502 R C -0.178 176.209 176.300 0.145 0.000 1.032 502 R CA -0.808 55.260 56.100 -0.052 0.000 1.089 502 R CB 0.947 31.167 30.300 -0.134 0.000 1.098 502 R HN 0.622 nan 8.270 nan 0.000 0.526 503 Q N 1.374 121.254 119.800 0.134 0.000 2.286 503 Q HA 0.043 4.383 4.340 0.000 0.000 0.290 503 Q C -0.783 175.346 176.000 0.214 0.000 1.049 503 Q CA 0.066 55.954 55.803 0.142 0.000 0.923 503 Q CB 0.782 29.567 28.738 0.078 0.000 1.183 503 Q HN 0.287 nan 8.270 nan 0.000 0.383 504 V N 5.412 125.402 119.914 0.127 0.000 2.461 504 V HA 0.158 4.278 4.120 0.000 0.000 0.275 504 V C 0.490 176.561 176.094 -0.038 0.000 1.047 504 V CA -0.266 62.022 62.300 -0.019 0.000 0.955 504 V CB 1.278 33.056 31.823 -0.076 0.000 0.988 504 V HN 0.811 nan 8.190 nan 0.000 0.471 505 K N 0.000 120.356 120.400 -0.074 0.000 2.780 505 K HA 0.000 4.320 4.320 0.000 0.000 0.191 505 K CA 0.000 56.257 56.287 -0.050 0.000 0.838 505 K CB 0.000 32.469 32.500 -0.051 0.000 1.064 505 K HN 0.000 nan 8.250 nan 0.000 0.543