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 2j2m_1_B DATA FIRST_RESID 6 DATA SEQUENCE KKLTTNQGVP IGDNQNSRTA GRRGPTLLED YQLIEKIAHF DRERVPERVV DATA SEQUENCE HARGFGAHGV FKVKNSMKKY TKAAFLQEEG TEVPVFARFS TVIHGTHSPE DATA SEQUENCE TLRDPRGFSV KFYTEEGNWD FVGNNLPVFF IRDAMKFPDM VHSLKPDPRT DATA SEQUENCE NIQDPDRYWD FMTLRPESTN MLMHIFTDEG IPASYRKMRG SSVHSFKWVN DATA SEQUENCE AHGNTVYIKL RWVPKEGVHN LSADEATEVQ GKDFNHASND TFQAIENGDF DATA SEQUENCE PEWDLFVQVL DPADVENFDF DPLDATKDWF EDVIPFQHVG TMTLNKNVDN DATA SEQUENCE YFAETESVGF NPGVLVPGML PSEDKLLQGR LFSYSDTQRH RIGPNYQQLP DATA SEQUENCE INCPFAQVNN YQRDGAMPFK QQTSSVNYEP NRYQDEPKQT PEYTEDTQPL DATA SEQUENCE HDDIHGRLEI EKTNNFGQAG EVYRRMTEEE QMALLNNLVN DLQQVRHENT DATA SEQUENCE VLLAICNFYR ADASLGEKLS EALNVDIKPF 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.601 176.600 0.002 0.000 0.988 6 K CA 0.000 56.288 56.287 0.002 0.000 0.838 6 K CB 0.000 32.501 32.500 0.002 0.000 1.064 7 K N 3.415 123.816 120.400 0.002 0.000 2.339 7 K HA 0.139 4.460 4.320 0.002 0.000 0.286 7 K C -0.014 176.587 176.600 0.002 0.000 1.050 7 K CA -0.702 55.586 56.287 0.002 0.000 0.956 7 K CB 0.612 33.114 32.500 0.003 0.000 0.990 7 K HN 0.366 nan 8.250 nan 0.000 0.475 8 L N 3.932 125.156 121.223 0.002 0.000 2.513 8 L HA 0.017 4.358 4.340 0.002 0.000 0.272 8 L C 0.025 176.898 176.870 0.005 0.000 1.187 8 L CA 1.011 55.852 54.840 0.001 0.000 0.895 8 L CB 0.239 42.297 42.059 -0.001 0.000 1.147 8 L HN 0.777 nan 8.230 nan 0.000 0.483 9 T N 0.630 115.188 114.554 0.006 0.000 2.901 9 T HA 0.678 5.029 4.350 0.002 0.000 0.293 9 T C 0.193 174.905 174.700 0.020 0.000 1.084 9 T CA -0.190 61.919 62.100 0.015 0.000 1.008 9 T CB 1.211 70.087 68.868 0.015 0.000 1.170 9 T HN 0.808 nan 8.240 nan 0.000 0.509 10 T N -0.319 114.262 114.554 0.045 0.000 2.698 10 T HA 0.244 4.595 4.350 0.002 0.000 0.295 10 T C 1.050 175.785 174.700 0.058 0.000 1.007 10 T CA -0.274 61.866 62.100 0.068 0.000 0.980 10 T CB -0.185 68.782 68.868 0.165 0.000 1.036 10 T HN 0.672 nan 8.240 nan 0.000 0.526 11 N N 0.181 118.923 118.700 0.070 0.000 2.550 11 N HA -0.060 4.681 4.740 0.002 0.000 0.186 11 N C 1.602 177.158 175.510 0.076 0.000 1.110 11 N CA 0.067 53.149 53.050 0.053 0.000 0.912 11 N CB 0.027 38.542 38.487 0.046 0.000 0.968 11 N HN 0.482 nan 8.380 nan 0.000 0.448 12 Q N -0.361 119.502 119.800 0.105 0.000 2.403 12 Q HA 0.101 4.443 4.340 0.002 0.000 0.203 12 Q C 1.208 177.227 176.000 0.032 0.000 0.932 12 Q CA 0.346 56.185 55.803 0.061 0.000 0.945 12 Q CB 0.650 29.410 28.738 0.037 0.000 1.045 12 Q HN 0.448 nan 8.270 nan 0.000 0.511 13 G N 0.536 109.357 108.800 0.035 0.000 2.143 13 G HA2 -0.244 3.718 3.960 0.002 0.000 0.249 13 G HA3 -0.244 3.718 3.960 0.002 0.000 0.249 13 G C 0.116 175.026 174.900 0.017 0.000 0.981 13 G CA 0.244 45.357 45.100 0.020 0.000 0.665 13 G HN 0.226 nan 8.290 nan 0.000 0.528 14 V N 2.064 121.994 119.914 0.027 0.000 2.461 14 V HA 0.405 4.526 4.120 0.002 0.000 0.275 14 V C -1.516 174.593 176.094 0.025 0.000 1.047 14 V CA -1.524 60.789 62.300 0.022 0.000 0.955 14 V CB 1.434 33.272 31.823 0.025 0.000 0.988 14 V HN 0.118 nan 8.190 nan 0.000 0.471 15 P HA 0.166 nan 4.420 nan 0.000 0.264 15 P C -0.295 177.016 177.300 0.018 0.000 1.193 15 P CA 0.184 63.292 63.100 0.014 0.000 0.763 15 P CB 0.364 32.069 31.700 0.009 0.000 0.810 16 I N 2.207 122.788 120.570 0.017 0.000 2.428 16 I HA 0.210 4.381 4.170 0.002 0.000 0.289 16 I C 1.663 177.786 176.117 0.010 0.000 1.019 16 I CA 0.451 61.761 61.300 0.017 0.000 1.351 16 I CB 1.187 39.195 38.000 0.012 0.000 1.412 16 I HN 0.472 nan 8.210 nan 0.000 0.513 17 G N 3.477 112.283 108.800 0.010 0.000 2.651 17 G HA2 -0.029 3.932 3.960 0.002 0.000 0.207 17 G HA3 -0.029 3.932 3.960 0.002 0.000 0.207 17 G C 0.067 174.969 174.900 0.003 0.000 1.131 17 G CA 0.215 45.319 45.100 0.006 0.000 0.816 17 G HN 0.559 nan 8.290 nan 0.000 0.534 18 D N -0.082 120.320 120.400 0.003 0.000 2.469 18 D HA 0.194 4.835 4.640 0.002 0.000 0.251 18 D C -0.494 175.803 176.300 -0.005 0.000 1.173 18 D CA -0.649 53.350 54.000 -0.001 0.000 0.882 18 D CB 1.156 41.956 40.800 -0.000 0.000 1.129 18 D HN -0.036 nan 8.370 nan 0.000 0.549 19 N N 2.224 120.919 118.700 -0.009 0.000 2.276 19 N HA 0.025 4.766 4.740 0.002 0.000 0.212 19 N C 0.477 175.974 175.510 -0.022 0.000 1.127 19 N CA 0.264 53.305 53.050 -0.016 0.000 0.834 19 N CB 0.387 38.864 38.487 -0.016 0.000 1.014 19 N HN 0.301 nan 8.380 nan 0.000 0.491 20 Q N -1.129 118.660 119.800 -0.018 0.000 2.369 20 Q HA 0.287 4.628 4.340 0.002 0.000 0.254 20 Q C -0.535 175.452 176.000 -0.021 0.000 0.858 20 Q CA 0.380 56.170 55.803 -0.021 0.000 0.961 20 Q CB 0.448 29.176 28.738 -0.016 0.000 1.119 20 Q HN 0.228 nan 8.270 nan 0.000 0.538 21 N N 0.826 119.517 118.700 -0.016 0.000 2.314 21 N HA 0.311 5.052 4.740 0.002 0.000 0.294 21 N C -0.816 174.686 175.510 -0.013 0.000 1.029 21 N CA -0.156 52.885 53.050 -0.014 0.000 0.845 21 N CB 2.019 40.501 38.487 -0.009 0.000 1.321 21 N HN -0.137 nan 8.380 nan 0.000 0.481 22 S N 0.792 116.483 115.700 -0.015 0.000 2.579 22 S HA 0.118 4.590 4.470 0.002 0.000 0.275 22 S C 0.692 175.290 174.600 -0.004 0.000 1.345 22 S CA -0.341 57.852 58.200 -0.012 0.000 1.031 22 S CB 1.022 64.213 63.200 -0.015 0.000 0.892 22 S HN 0.367 nan 8.310 nan 0.000 0.529 23 R N 1.856 122.357 120.500 0.001 0.000 2.267 23 R HA 0.247 4.589 4.340 0.002 0.000 0.319 23 R C -0.239 176.064 176.300 0.005 0.000 1.067 23 R CA -0.021 56.083 56.100 0.006 0.000 0.936 23 R CB 0.019 30.327 30.300 0.014 0.000 1.006 23 R HN 0.807 nan 8.270 nan 0.000 0.452 24 T N 0.293 114.849 114.554 0.003 0.000 2.907 24 T HA 0.488 4.839 4.350 0.002 0.000 0.292 24 T C -0.057 174.645 174.700 0.004 0.000 1.043 24 T CA -0.971 61.130 62.100 0.002 0.000 1.003 24 T CB 1.968 70.836 68.868 -0.000 0.000 1.084 24 T HN 0.506 nan 8.240 nan 0.000 0.483 25 A N 1.420 124.243 122.820 0.004 0.000 3.026 25 A HA 0.656 4.977 4.320 0.002 0.000 0.272 25 A C 1.203 178.788 177.584 0.003 0.000 1.782 25 A CA 0.242 52.281 52.037 0.004 0.000 1.451 25 A CB -1.701 17.301 19.000 0.004 0.000 1.081 25 A HN 2.106 nan 8.150 nan 0.000 0.611 26 G N 0.065 108.867 108.800 0.002 0.000 2.619 26 G HA2 -0.128 3.834 3.960 0.002 0.000 0.686 26 G HA3 -0.128 3.834 3.960 0.002 0.000 0.686 26 G C 0.453 175.353 174.900 0.001 0.000 1.256 26 G CA -0.044 45.057 45.100 0.001 0.000 0.826 26 G HN 0.726 nan 8.290 nan 0.000 0.619 27 R N -0.078 120.422 120.500 0.000 0.000 2.117 27 R HA -0.039 4.302 4.340 0.002 0.000 0.243 27 R C 1.974 178.273 176.300 -0.002 0.000 1.143 27 R CA 1.945 58.044 56.100 -0.001 0.000 0.968 27 R CB -0.134 30.165 30.300 -0.001 0.000 0.863 27 R HN 0.499 nan 8.270 nan 0.000 0.444 28 R N -0.640 119.860 120.500 -0.001 0.000 2.613 28 R HA 0.218 4.559 4.340 0.002 0.000 0.361 28 R C 0.005 176.304 176.300 -0.001 0.000 1.072 28 R CA -0.038 56.061 56.100 -0.001 0.000 1.089 28 R CB 1.681 31.980 30.300 -0.001 0.000 1.343 28 R HN 0.150 nan 8.270 nan 0.000 0.571 29 G N 1.743 110.543 108.800 -0.000 0.000 2.552 29 G HA2 0.452 4.413 3.960 0.002 0.000 0.318 29 G HA3 0.452 4.413 3.960 0.002 0.000 0.318 29 G C -2.512 172.388 174.900 0.000 0.000 1.240 29 G CA -1.149 43.951 45.100 0.000 0.000 1.002 29 G HN -0.132 nan 8.290 nan 0.000 0.493 30 P HA 0.249 nan 4.420 nan 0.000 0.276 30 P C -0.080 177.221 177.300 0.002 0.000 1.244 30 P CA -0.137 62.964 63.100 0.001 0.000 0.801 30 P CB 0.835 32.537 31.700 0.002 0.000 1.006 31 T N 1.617 116.171 114.554 0.001 0.000 2.918 31 T HA 0.259 4.610 4.350 0.002 0.000 0.302 31 T C 0.387 175.090 174.700 0.005 0.000 1.045 31 T CA -0.118 61.983 62.100 0.001 0.000 1.114 31 T CB -0.029 68.838 68.868 -0.002 0.000 0.965 31 T HN 0.183 nan 8.240 nan 0.000 0.540 32 L N 3.542 124.770 121.223 0.008 0.000 2.289 32 L HA 0.289 4.630 4.340 0.002 0.000 0.285 32 L C 1.381 178.261 176.870 0.017 0.000 1.049 32 L CA -0.707 54.141 54.840 0.013 0.000 0.804 32 L CB 1.064 43.133 42.059 0.016 0.000 1.195 32 L HN 0.537 nan 8.230 nan 0.000 0.428 33 L N 2.919 124.154 121.223 0.019 0.000 2.187 33 L HA -0.213 4.128 4.340 0.002 0.000 0.213 33 L C 2.232 179.126 176.870 0.040 0.000 1.100 33 L CA 1.805 56.660 54.840 0.025 0.000 0.765 33 L CB -0.495 41.578 42.059 0.024 0.000 0.904 33 L HN 0.790 nan 8.230 nan 0.000 0.437 34 E N -1.855 118.370 120.200 0.042 0.000 2.511 34 E HA -0.133 4.218 4.350 0.002 0.000 0.196 34 E C 0.340 176.987 176.600 0.078 0.000 1.066 34 E CA 0.154 56.590 56.400 0.061 0.000 0.871 34 E CB -0.481 29.246 29.700 0.046 0.000 0.863 34 E HN 0.352 nan 8.360 nan 0.000 0.520 35 D N 0.987 121.419 120.400 0.054 0.000 2.541 35 D HA -0.086 4.555 4.640 0.002 0.000 0.231 35 D C 0.211 176.544 176.300 0.056 0.000 1.163 35 D CA -0.173 53.857 54.000 0.050 0.000 1.077 35 D CB -0.267 40.542 40.800 0.016 0.000 1.110 35 D HN 0.288 nan 8.370 nan 0.000 0.499 36 Y N 2.640 122.943 120.300 0.006 0.000 2.207 36 Y HA -0.255 4.295 4.550 0.001 0.000 0.287 36 Y C 2.175 178.081 175.900 0.009 0.000 1.156 36 Y CA 2.111 60.216 58.100 0.008 0.000 1.182 36 Y CB 0.091 38.555 38.460 0.007 0.000 0.979 36 Y HN 0.419 nan 8.280 nan 0.000 0.521 37 Q N -0.194 119.607 119.800 0.001 0.000 2.050 37 Q HA -0.230 4.112 4.340 0.002 0.000 0.202 37 Q C 2.258 178.180 176.000 -0.131 0.000 0.980 37 Q CA 1.933 57.704 55.803 -0.054 0.000 0.840 37 Q CB -0.390 28.369 28.738 0.035 0.000 0.898 37 Q HN 0.586 nan 8.270 nan 0.000 0.424 38 L N 0.628 121.798 121.223 -0.089 0.000 2.017 38 L HA -0.140 4.201 4.340 0.002 0.000 0.208 38 L C 2.129 178.934 176.870 -0.110 0.000 1.073 38 L CA 1.651 56.442 54.840 -0.081 0.000 0.745 38 L CB -0.334 41.696 42.059 -0.049 0.000 0.894 38 L HN 0.325 nan 8.230 nan 0.000 0.432 39 I N -0.621 119.862 120.570 -0.146 0.000 2.252 39 I HA -0.241 3.930 4.170 0.002 0.000 0.245 39 I C 2.529 178.533 176.117 -0.189 0.000 1.102 39 I CA 1.425 62.643 61.300 -0.138 0.000 1.385 39 I CB -0.432 37.500 38.000 -0.114 0.000 1.064 39 I HN 0.439 nan 8.210 nan 0.000 0.414 40 E N 1.646 121.613 120.200 -0.389 0.000 2.085 40 E HA -0.307 4.044 4.350 0.002 0.000 0.194 40 E C 2.214 178.745 176.600 -0.115 0.000 0.994 40 E CA 1.539 57.736 56.400 -0.338 0.000 0.801 40 E CB 0.045 29.396 29.700 -0.583 0.000 0.743 40 E HN 0.333 nan 8.360 nan 0.000 0.453 41 K N 0.166 120.501 120.400 -0.109 0.000 1.985 41 K HA -0.139 4.183 4.320 0.002 0.000 0.210 41 K C 2.210 178.838 176.600 0.048 0.000 1.047 41 K CA 1.418 57.688 56.287 -0.028 0.000 0.932 41 K CB -0.074 32.390 32.500 -0.059 0.000 0.716 41 K HN 0.150 nan 8.250 nan 0.000 0.439 42 I N 1.317 121.895 120.570 0.013 0.000 2.286 42 I HA -0.194 3.977 4.170 0.002 0.000 0.248 42 I C 2.447 178.653 176.117 0.148 0.000 1.115 42 I CA 1.340 62.686 61.300 0.077 0.000 1.392 42 I CB -1.346 36.668 38.000 0.023 0.000 1.065 42 I HN 0.236 nan 8.210 nan 0.000 0.418 43 A N -0.547 122.316 122.820 0.072 0.000 2.014 43 A HA -0.221 4.101 4.320 0.002 0.000 0.218 43 A C 2.306 179.932 177.584 0.070 0.000 1.163 43 A CA 1.245 53.314 52.037 0.054 0.000 0.652 43 A CB -0.860 18.147 19.000 0.012 0.000 0.808 43 A HN 0.478 nan 8.150 nan 0.000 0.449 44 H N -1.867 117.223 119.070 0.033 0.000 2.415 44 H HA -0.051 4.506 4.556 0.002 0.000 0.297 44 H C 1.829 177.183 175.328 0.044 0.000 1.048 44 H CA 1.497 57.561 56.048 0.027 0.000 1.365 44 H CB -0.260 29.515 29.762 0.022 0.000 1.421 44 H HN 0.477 nan 8.280 nan 0.000 0.533 45 F N 2.282 122.269 119.950 0.061 0.000 2.161 45 F HA -0.196 4.332 4.527 0.002 0.000 0.300 45 F C 1.696 177.460 175.800 -0.060 0.000 1.089 45 F CA 1.697 59.698 58.000 0.002 0.000 1.282 45 F CB -0.230 38.775 39.000 0.008 0.000 1.010 45 F HN 0.073 nan 8.300 nan 0.000 0.485 46 D N -0.016 120.356 120.400 -0.048 0.000 2.350 46 D HA -0.077 4.564 4.640 0.002 0.000 0.216 46 D C 1.779 177.948 176.300 -0.219 0.000 0.968 46 D CA 0.942 54.855 54.000 -0.145 0.000 0.894 46 D CB -0.186 40.609 40.800 -0.008 0.000 0.909 46 D HN 0.400 nan 8.370 nan 0.000 0.520 47 R N -0.202 120.143 120.500 -0.259 0.000 2.508 47 R HA 0.175 4.516 4.340 0.002 0.000 0.300 47 R C 1.356 177.456 176.300 -0.333 0.000 0.970 47 R CA -0.123 55.819 56.100 -0.265 0.000 1.102 47 R CB 0.676 30.826 30.300 -0.251 0.000 1.246 47 R HN 0.109 nan 8.270 nan 0.000 0.539 48 E N 0.839 120.806 120.200 -0.388 0.000 2.118 48 E HA -0.114 4.237 4.350 0.002 0.000 0.195 48 E C 0.225 176.619 176.600 -0.344 0.000 0.992 48 E CA 1.021 57.183 56.400 -0.397 0.000 0.804 48 E CB 0.220 29.689 29.700 -0.386 0.000 0.741 48 E HN 0.096 nan 8.360 nan 0.000 0.458 49 R N 1.011 121.363 120.500 -0.246 0.000 2.441 49 R HA 0.228 4.570 4.340 0.002 0.000 0.284 49 R C 0.223 176.497 176.300 -0.044 0.000 1.070 49 R CA -0.152 55.873 56.100 -0.125 0.000 1.047 49 R CB 1.124 31.354 30.300 -0.118 0.000 1.016 49 R HN -0.031 nan 8.270 nan 0.000 0.477 50 V N -0.760 119.181 119.914 0.045 0.000 3.074 50 V HA 0.621 4.743 4.120 0.002 0.000 0.314 50 V C -2.401 173.695 176.094 0.002 0.000 1.117 50 V CA -2.552 59.767 62.300 0.032 0.000 1.014 50 V CB 1.495 33.380 31.823 0.103 0.000 1.057 50 V HN 0.533 nan 8.190 nan 0.000 0.438 51 P HA 0.243 nan 4.420 nan 0.000 0.266 51 P C -0.348 176.943 177.300 -0.015 0.000 1.195 51 P CA -0.019 63.058 63.100 -0.039 0.000 0.768 51 P CB 0.254 31.898 31.700 -0.093 0.000 0.838 52 E N 2.120 122.326 120.200 0.010 0.000 2.371 52 E HA 0.224 4.575 4.350 0.002 0.000 0.257 52 E C -0.468 176.144 176.600 0.021 0.000 1.134 52 E CA -0.906 55.508 56.400 0.022 0.000 0.919 52 E CB 0.563 30.280 29.700 0.030 0.000 1.025 52 E HN 0.219 nan 8.360 nan 0.000 0.438 53 R N 0.748 121.265 120.500 0.028 0.000 2.537 53 R HA -0.068 4.274 4.340 0.002 0.000 0.281 53 R C 1.109 177.434 176.300 0.042 0.000 0.988 53 R CA 0.234 56.353 56.100 0.031 0.000 1.077 53 R CB 0.561 30.897 30.300 0.060 0.000 0.932 53 R HN 0.575 nan 8.270 nan 0.000 0.409 54 V N 4.465 124.398 119.914 0.032 0.000 2.324 54 V HA -0.164 3.958 4.120 0.002 0.000 0.250 54 V C 0.686 176.809 176.094 0.048 0.000 1.060 54 V CA 2.149 64.471 62.300 0.037 0.000 1.042 54 V CB 0.167 32.008 31.823 0.030 0.000 0.650 54 V HN 0.551 nan 8.190 nan 0.000 0.450 55 V N -4.593 115.377 119.914 0.094 0.000 3.102 55 V HA 0.585 4.706 4.120 0.002 0.000 0.312 55 V C 0.397 176.629 176.094 0.230 0.000 1.135 55 V CA -0.441 61.937 62.300 0.130 0.000 1.022 55 V CB 1.382 33.336 31.823 0.217 0.000 1.056 55 V HN 0.505 nan 8.190 nan 0.000 0.436 56 H N 0.010 119.130 119.070 0.082 0.000 2.862 56 H HA -0.225 4.332 4.556 0.002 0.000 0.290 56 H C 1.552 176.930 175.328 0.084 0.000 1.211 56 H CA 0.810 56.913 56.048 0.092 0.000 1.140 56 H CB -1.170 28.641 29.762 0.082 0.000 1.341 56 H HN 1.167 nan 8.280 nan 0.000 0.392 57 A N 0.830 123.744 122.820 0.157 0.000 1.933 57 A HA -0.127 4.195 4.320 0.002 0.000 0.218 57 A C 1.731 179.413 177.584 0.163 0.000 1.175 57 A CA 1.366 53.481 52.037 0.131 0.000 0.628 57 A CB -0.112 18.943 19.000 0.091 0.000 0.814 57 A HN 0.267 nan 8.150 nan 0.000 0.444 58 R N 0.475 121.084 120.500 0.181 0.000 2.248 58 R HA 0.488 4.830 4.340 0.002 0.000 0.328 58 R C 0.014 176.469 176.300 0.259 0.000 1.067 58 R CA 0.706 56.944 56.100 0.230 0.000 0.924 58 R CB -0.125 30.317 30.300 0.237 0.000 1.013 58 R HN 0.358 nan 8.270 nan 0.000 0.454 59 G N 2.361 111.337 108.800 0.293 0.000 2.645 59 G HA2 0.534 4.495 3.960 0.002 0.000 0.292 59 G HA3 0.534 4.495 3.960 0.002 0.000 0.292 59 G C -2.061 173.047 174.900 0.346 0.000 1.415 59 G CA -0.675 44.558 45.100 0.222 0.000 0.785 59 G HN 0.447 nan 8.290 nan 0.000 0.483 60 F N 0.312 120.249 119.950 -0.022 0.000 2.588 60 F HA 0.708 5.237 4.527 0.002 0.000 0.318 60 F C -0.059 175.622 175.800 -0.198 0.000 1.155 60 F CA -0.374 57.665 58.000 0.064 0.000 0.967 60 F CB 1.974 41.094 39.000 0.200 0.000 1.236 60 F HN 0.816 nan 8.300 nan 0.000 0.455 61 G N 3.059 111.214 108.800 -1.076 0.000 2.448 61 G HA2 0.846 4.807 3.960 0.002 0.000 0.324 61 G HA3 0.846 4.807 3.960 0.002 0.000 0.324 61 G C -1.920 172.227 174.900 -1.254 0.000 1.203 61 G CA -0.527 43.878 45.100 -1.158 0.000 0.954 61 G HN 1.159 nan 8.290 nan 0.000 0.480 62 A N 1.195 123.307 122.820 -1.180 0.000 2.606 62 A HA 0.756 5.077 4.320 0.002 0.000 0.293 62 A C -0.895 176.313 177.584 -0.627 0.000 1.082 62 A CA -0.798 50.863 52.037 -0.627 0.000 0.685 62 A CB 1.112 19.986 19.000 -0.211 0.000 1.284 62 A HN 0.740 nan 8.150 nan 0.000 0.408 63 H N -0.225 118.800 119.070 -0.076 0.000 2.505 63 H HA 0.687 5.244 4.556 0.002 0.000 0.351 63 H C 0.645 175.920 175.328 -0.088 0.000 1.151 63 H CA 0.872 56.926 56.048 0.011 0.000 1.339 63 H CB 1.774 31.571 29.762 0.059 0.000 1.483 63 H HN 1.167 nan 8.280 nan 0.000 0.558 64 G N -0.121 108.715 108.800 0.060 0.000 2.435 64 G HA2 0.331 4.292 3.960 0.002 0.000 0.296 64 G HA3 0.331 4.292 3.960 0.002 0.000 0.296 64 G C -1.669 173.231 174.900 0.001 0.000 1.240 64 G CA -0.146 44.943 45.100 -0.018 0.000 0.872 64 G HN 0.579 nan 8.290 nan 0.000 0.480 65 V N -0.090 119.831 119.914 0.011 0.000 2.841 65 V HA 0.794 4.916 4.120 0.002 0.000 0.310 65 V C -1.752 174.426 176.094 0.140 0.000 1.090 65 V CA -0.976 61.356 62.300 0.053 0.000 0.930 65 V CB 1.670 33.506 31.823 0.021 0.000 1.014 65 V HN 0.998 nan 8.190 nan 0.000 0.425 66 F N 5.947 125.934 119.950 0.062 0.000 2.436 66 F HA 0.716 5.244 4.527 0.002 0.000 0.340 66 F C -0.156 175.773 175.800 0.214 0.000 1.113 66 F CA -0.460 57.658 58.000 0.196 0.000 1.022 66 F CB 1.442 40.651 39.000 0.349 0.000 1.128 66 F HN 0.534 nan 8.300 nan 0.000 0.466 67 K N 6.596 126.627 120.400 -0.615 0.000 2.394 67 K HA 0.517 4.838 4.320 0.002 0.000 0.260 67 K C -1.534 174.721 176.600 -0.576 0.000 0.967 67 K CA -0.869 55.194 56.287 -0.374 0.000 0.855 67 K CB 1.549 33.945 32.500 -0.172 0.000 1.101 67 K HN 0.576 nan 8.250 nan 0.000 0.433 68 V N 4.241 124.054 119.914 -0.168 0.000 2.470 68 V HA 0.238 4.360 4.120 0.002 0.000 0.276 68 V C 0.668 176.725 176.094 -0.063 0.000 1.040 68 V CA 0.162 62.435 62.300 -0.045 0.000 1.008 68 V CB 1.178 33.098 31.823 0.162 0.000 0.990 68 V HN 0.984 nan 8.190 nan 0.000 0.477 69 K N 5.625 125.973 120.400 -0.087 0.000 2.202 69 K HA 0.248 4.569 4.320 0.002 0.000 0.201 69 K C 0.456 177.067 176.600 0.019 0.000 1.051 69 K CA 1.105 57.386 56.287 -0.009 0.000 0.977 69 K CB 0.114 32.656 32.500 0.069 0.000 0.792 69 K HN 0.869 nan 8.250 nan 0.000 0.469 70 N N -0.047 118.652 118.700 -0.001 0.000 2.410 70 N HA 0.152 4.893 4.740 0.002 0.000 0.287 70 N C -1.813 173.694 175.510 -0.004 0.000 1.044 70 N CA -0.415 52.646 53.050 0.020 0.000 0.881 70 N CB 1.993 40.513 38.487 0.056 0.000 1.405 70 N HN 0.009 nan 8.380 nan 0.000 0.490 71 S N 1.774 117.465 115.700 -0.014 0.000 2.573 71 S HA -0.030 4.441 4.470 0.002 0.000 0.297 71 S C 0.742 175.320 174.600 -0.036 0.000 1.280 71 S CA 0.316 58.489 58.200 -0.044 0.000 1.061 71 S CB 0.205 63.379 63.200 -0.042 0.000 0.812 71 S HN 0.502 nan 8.310 nan 0.000 0.500 72 M N 4.145 123.698 119.600 -0.078 0.000 2.496 72 M HA 0.117 4.598 4.480 0.002 0.000 0.330 72 M C 1.486 177.742 176.300 -0.074 0.000 1.133 72 M CA 0.013 55.304 55.300 -0.016 0.000 0.964 72 M CB -0.157 32.411 32.600 -0.053 0.000 1.401 72 M HN 0.846 nan 8.290 nan 0.000 0.520 73 K N 0.586 120.918 120.400 -0.114 0.000 2.152 73 K HA -0.167 4.154 4.320 0.002 0.000 0.206 73 K C 1.749 178.280 176.600 -0.115 0.000 1.048 73 K CA 1.326 57.543 56.287 -0.116 0.000 0.933 73 K CB -0.242 32.200 32.500 -0.096 0.000 0.721 73 K HN 0.198 nan 8.250 nan 0.000 0.447 74 K N 0.200 120.487 120.400 -0.188 0.000 2.127 74 K HA -0.215 4.106 4.320 0.002 0.000 0.208 74 K C 1.048 177.484 176.600 -0.273 0.000 1.047 74 K CA 1.894 57.987 56.287 -0.322 0.000 0.927 74 K CB -0.103 32.038 32.500 -0.598 0.000 0.716 74 K HN 0.486 nan 8.250 nan 0.000 0.450 75 Y N -1.565 118.775 120.300 0.067 0.000 2.581 75 Y HA 0.139 4.690 4.550 0.002 0.000 0.271 75 Y C 0.860 176.821 175.900 0.101 0.000 1.100 75 Y CA -0.225 57.964 58.100 0.149 0.000 1.281 75 Y CB 1.225 39.883 38.460 0.329 0.000 1.237 75 Y HN -0.089 nan 8.280 nan 0.000 0.514 76 T N 0.304 114.895 114.554 0.062 0.000 2.916 76 T HA 0.255 4.607 4.350 0.002 0.000 0.305 76 T C -0.162 174.395 174.700 -0.238 0.000 1.119 76 T CA -0.843 61.137 62.100 -0.199 0.000 1.008 76 T CB 1.465 69.910 68.868 -0.705 0.000 1.129 76 T HN 0.297 nan 8.240 nan 0.000 0.480 77 K N 2.303 122.573 120.400 -0.216 0.000 2.417 77 K HA 0.590 4.911 4.320 0.002 0.000 0.196 77 K C 0.748 177.219 176.600 -0.215 0.000 1.023 77 K CA -0.300 55.876 56.287 -0.185 0.000 1.122 77 K CB 0.190 32.606 32.500 -0.140 0.000 0.850 77 K HN 0.522 nan 8.250 nan 0.000 0.521 78 A N 1.468 124.086 122.820 -0.337 0.000 2.573 78 A HA 0.218 4.539 4.320 0.002 0.000 0.250 78 A C 1.543 178.980 177.584 -0.245 0.000 1.049 78 A CA 0.533 52.370 52.037 -0.333 0.000 0.767 78 A CB 0.003 18.636 19.000 -0.612 0.000 0.965 78 A HN 0.519 nan 8.150 nan 0.000 0.514 79 A N 3.633 126.420 122.820 -0.055 0.000 1.892 79 A HA -0.102 4.220 4.320 0.002 0.000 0.218 79 A C 1.727 179.327 177.584 0.028 0.000 1.188 79 A CA 2.026 54.069 52.037 0.011 0.000 0.631 79 A CB -0.849 18.208 19.000 0.094 0.000 0.822 79 A HN 1.769 nan 8.150 nan 0.000 0.447 80 F N -1.513 118.399 119.950 -0.063 0.000 2.451 80 F HA 0.079 4.608 4.527 0.002 0.000 0.299 80 F C 1.162 176.951 175.800 -0.019 0.000 1.101 80 F CA 0.672 58.663 58.000 -0.014 0.000 1.436 80 F CB -0.279 38.746 39.000 0.041 0.000 1.074 80 F HN 0.070 nan 8.300 nan 0.000 0.553 81 L N 0.614 121.413 121.223 -0.706 0.000 2.607 81 L HA 0.177 4.518 4.340 0.002 0.000 0.228 81 L C 1.867 178.550 176.870 -0.311 0.000 1.123 81 L CA 0.470 54.916 54.840 -0.657 0.000 0.890 81 L CB -0.833 40.643 42.059 -0.971 0.000 1.103 81 L HN 0.185 nan 8.230 nan 0.000 0.468 82 Q N 0.265 119.940 119.800 -0.208 0.000 2.119 82 Q HA 0.021 4.362 4.340 0.002 0.000 0.201 82 Q C 0.118 176.073 176.000 -0.074 0.000 0.972 82 Q CA 0.965 56.694 55.803 -0.124 0.000 0.847 82 Q CB 0.276 28.963 28.738 -0.086 0.000 0.903 82 Q HN 0.408 nan 8.270 nan 0.000 0.433 83 E N 0.981 121.153 120.200 -0.048 0.000 2.218 83 E HA 0.178 4.530 4.350 0.002 0.000 0.263 83 E C -0.838 175.760 176.600 -0.004 0.000 0.879 83 E CA -0.429 55.961 56.400 -0.018 0.000 0.762 83 E CB 1.709 31.409 29.700 -0.001 0.000 1.166 83 E HN 0.188 nan 8.360 nan 0.000 0.415 84 E N 0.870 121.068 120.200 -0.004 0.000 2.608 84 E HA 0.043 4.394 4.350 0.002 0.000 0.259 84 E C 0.888 177.496 176.600 0.013 0.000 0.951 84 E CA 1.371 57.773 56.400 0.005 0.000 0.945 84 E CB 0.099 29.803 29.700 0.008 0.000 0.916 84 E HN 0.754 nan 8.360 nan 0.000 0.477 85 G N 2.994 111.802 108.800 0.014 0.000 2.217 85 G HA2 -0.324 3.638 3.960 0.002 0.000 0.246 85 G HA3 -0.324 3.638 3.960 0.002 0.000 0.246 85 G C 0.422 175.343 174.900 0.034 0.000 0.990 85 G CA 0.349 45.459 45.100 0.017 0.000 0.627 85 G HN 0.914 nan 8.290 nan 0.000 0.522 86 T N 0.597 115.185 114.554 0.057 0.000 2.928 86 T HA 0.475 4.826 4.350 0.002 0.000 0.305 86 T C 0.067 174.847 174.700 0.132 0.000 1.035 86 T CA 0.805 62.960 62.100 0.091 0.000 1.145 86 T CB 0.690 69.627 68.868 0.114 0.000 0.963 86 T HN 0.404 nan 8.240 nan 0.000 0.545 87 E N 2.495 122.759 120.200 0.107 0.000 2.187 87 E HA 0.555 4.906 4.350 0.002 0.000 0.268 87 E C -1.070 175.600 176.600 0.117 0.000 0.896 87 E CA -0.983 55.485 56.400 0.112 0.000 0.766 87 E CB 2.292 32.020 29.700 0.047 0.000 1.142 87 E HN 0.516 nan 8.360 nan 0.000 0.408 88 V N 3.868 123.898 119.914 0.194 0.000 2.540 88 V HA 0.485 4.606 4.120 0.002 0.000 0.302 88 V C -2.672 173.477 176.094 0.092 0.000 1.035 88 V CA -2.676 59.695 62.300 0.119 0.000 0.873 88 V CB 1.854 33.760 31.823 0.138 0.000 0.992 88 V HN 0.477 nan 8.190 nan 0.000 0.428 89 P HA 0.270 nan 4.420 nan 0.000 0.268 89 P C -0.930 176.469 177.300 0.165 0.000 1.205 89 P CA 0.270 63.419 63.100 0.081 0.000 0.771 89 P CB 0.856 32.569 31.700 0.022 0.000 0.858 90 V N 0.575 120.542 119.914 0.088 0.000 2.962 90 V HA 0.703 4.824 4.120 0.002 0.000 0.313 90 V C -1.303 174.872 176.094 0.135 0.000 1.099 90 V CA -1.027 61.247 62.300 -0.043 0.000 0.971 90 V CB 2.167 33.723 31.823 -0.445 0.000 1.028 90 V HN 0.303 nan 8.190 nan 0.000 0.430 91 F N 2.939 122.847 119.950 -0.070 0.000 2.467 91 F HA 0.900 5.429 4.527 0.002 0.000 0.336 91 F C 0.182 175.807 175.800 -0.290 0.000 1.123 91 F CA -0.298 57.576 58.000 -0.210 0.000 0.964 91 F CB 1.369 40.266 39.000 -0.172 0.000 1.136 91 F HN 1.043 nan 8.300 nan 0.000 0.447 92 A N 6.496 128.692 122.820 -1.041 0.000 2.340 92 A HA 0.844 5.165 4.320 0.002 0.000 0.331 92 A C -1.041 175.712 177.584 -1.384 0.000 1.140 92 A CA -0.851 50.515 52.037 -1.118 0.000 0.801 92 A CB 1.253 19.542 19.000 -1.184 0.000 1.234 92 A HN 0.851 nan 8.150 nan 0.000 0.469 93 R N 1.575 121.318 120.500 -1.262 0.000 2.532 93 R HA 0.634 4.975 4.340 0.002 0.000 0.297 93 R C -1.951 173.660 176.300 -1.148 0.000 0.984 93 R CA -0.374 55.109 56.100 -1.027 0.000 0.884 93 R CB 1.021 31.066 30.300 -0.425 0.000 1.182 93 R HN 0.630 nan 8.270 nan 0.000 0.442 94 F N 1.592 121.199 119.950 -0.573 0.000 2.507 94 F HA 0.625 5.153 4.527 0.002 0.000 0.327 94 F C 0.264 175.683 175.800 -0.636 0.000 1.068 94 F CA -0.627 56.965 58.000 -0.680 0.000 0.965 94 F CB 2.385 40.814 39.000 -0.951 0.000 1.192 94 F HN 0.614 nan 8.300 nan 0.000 0.476 95 S N -1.089 114.523 115.700 -0.147 0.000 2.587 95 S HA 0.601 5.072 4.470 0.002 0.000 0.269 95 S C -0.641 174.141 174.600 0.304 0.000 1.154 95 S CA -0.792 57.481 58.200 0.121 0.000 0.824 95 S CB 1.285 64.630 63.200 0.242 0.000 1.118 95 S HN 0.789 nan 8.310 nan 0.000 0.462 96 T N -1.069 113.648 114.554 0.272 0.000 2.924 96 T HA 0.706 5.057 4.350 0.002 0.000 0.301 96 T C 0.864 175.497 174.700 -0.111 0.000 1.120 96 T CA 0.101 62.296 62.100 0.158 0.000 0.940 96 T CB 0.093 69.066 68.868 0.175 0.000 1.591 96 T HN 0.718 nan 8.240 nan 0.000 0.578 97 V N -0.747 119.053 119.914 -0.192 0.000 3.134 97 V HA 0.203 4.324 4.120 0.002 0.000 0.222 97 V C 2.279 178.261 176.094 -0.186 0.000 1.247 97 V CA -0.118 61.911 62.300 -0.451 0.000 1.281 97 V CB -0.201 31.425 31.823 -0.329 0.000 1.169 97 V HN 0.687 nan 8.190 nan 0.000 0.512 98 I N -0.137 120.371 120.570 -0.105 0.000 2.339 98 I HA 0.084 4.255 4.170 0.002 0.000 0.245 98 I C 1.257 177.264 176.117 -0.184 0.000 1.096 98 I CA 1.115 62.313 61.300 -0.171 0.000 1.408 98 I CB -0.961 36.893 38.000 -0.243 0.000 1.092 98 I HN 0.344 nan 8.210 nan 0.000 0.423 99 H N -0.206 118.856 119.070 -0.013 0.000 2.544 99 H HA 0.477 5.034 4.556 0.002 0.000 0.365 99 H C 0.828 176.178 175.328 0.037 0.000 1.268 99 H CA 0.218 56.276 56.048 0.016 0.000 1.400 99 H CB 0.383 30.167 29.762 0.036 0.000 1.538 99 H HN 0.145 nan 8.280 nan 0.000 0.597 100 G N -0.718 108.185 108.800 0.171 0.000 2.543 100 G HA2 0.178 4.139 3.960 0.002 0.000 0.290 100 G HA3 0.178 4.139 3.960 0.002 0.000 0.290 100 G C -0.219 174.754 174.900 0.122 0.000 1.310 100 G CA -0.603 44.562 45.100 0.108 0.000 1.025 100 G HN 0.570 nan 8.290 nan 0.000 0.502 101 T N -0.274 114.318 114.554 0.064 0.000 2.946 101 T HA 0.080 4.432 4.350 0.002 0.000 0.312 101 T C 0.811 175.562 174.700 0.086 0.000 1.066 101 T CA 1.357 63.462 62.100 0.009 0.000 1.138 101 T CB -0.356 68.424 68.868 -0.145 0.000 1.014 101 T HN 0.747 nan 8.240 nan 0.000 0.544 102 H N -0.171 119.006 119.070 0.178 0.000 3.211 102 H HA -0.152 4.405 4.556 0.002 0.000 0.240 102 H C 0.691 176.158 175.328 0.232 0.000 1.148 102 H CA 0.248 56.446 56.048 0.250 0.000 1.160 102 H CB -1.300 28.588 29.762 0.208 0.000 1.232 102 H HN 0.465 nan 8.280 nan 0.000 0.321 103 S N 1.226 117.100 115.700 0.290 0.000 2.568 103 S HA 0.153 4.625 4.470 0.002 0.000 0.282 103 S C -2.015 172.734 174.600 0.249 0.000 1.338 103 S CA -1.076 57.245 58.200 0.201 0.000 1.045 103 S CB 0.788 64.106 63.200 0.195 0.000 0.873 103 S HN 0.067 nan 8.310 nan 0.000 0.516 104 P HA 0.135 nan 4.420 nan 0.000 0.269 104 P C -0.208 177.205 177.300 0.188 0.000 1.209 104 P CA 0.045 63.281 63.100 0.226 0.000 0.776 104 P CB 0.309 32.089 31.700 0.134 0.000 0.876 105 E N -0.059 120.263 120.200 0.203 0.000 2.465 105 E HA -0.015 4.336 4.350 0.002 0.000 0.191 105 E C 0.524 177.256 176.600 0.221 0.000 1.053 105 E CA 0.380 56.865 56.400 0.142 0.000 0.869 105 E CB -0.178 29.485 29.700 -0.062 0.000 0.977 105 E HN 0.543 nan 8.360 nan 0.000 0.483 106 T N -1.804 112.874 114.554 0.207 0.000 3.069 106 T HA 0.238 4.589 4.350 0.002 0.000 0.252 106 T C 0.743 175.495 174.700 0.087 0.000 1.053 106 T CA -0.286 61.899 62.100 0.143 0.000 0.964 106 T CB 0.156 69.054 68.868 0.050 0.000 1.005 106 T HN -0.056 nan 8.240 nan 0.000 0.532 107 L N 1.791 123.064 121.223 0.083 0.000 2.436 107 L HA 0.418 4.759 4.340 0.002 0.000 0.265 107 L C 0.869 177.779 176.870 0.067 0.000 1.168 107 L CA -1.003 53.872 54.840 0.058 0.000 0.815 107 L CB 0.674 42.749 42.059 0.027 0.000 1.109 107 L HN 0.141 nan 8.230 nan 0.000 0.462 108 R N 2.131 122.662 120.500 0.051 0.000 2.370 108 R HA 0.207 4.548 4.340 0.002 0.000 0.309 108 R C -1.358 174.934 176.300 -0.014 0.000 1.059 108 R CA 0.176 56.283 56.100 0.012 0.000 0.981 108 R CB 0.361 30.654 30.300 -0.012 0.000 0.972 108 R HN 0.591 nan 8.270 nan 0.000 0.437 109 D N 3.841 124.238 120.400 -0.006 0.000 2.766 109 D HA 0.211 4.852 4.640 0.002 0.000 0.244 109 D C -2.808 173.526 176.300 0.056 0.000 1.198 109 D CA -1.124 52.883 54.000 0.012 0.000 0.739 109 D CB 1.921 42.746 40.800 0.042 0.000 1.379 109 D HN 0.246 nan 8.370 nan 0.000 0.437 110 P HA 0.353 nan 4.420 nan 0.000 0.271 110 P C -0.653 176.758 177.300 0.185 0.000 1.233 110 P CA -0.319 62.868 63.100 0.144 0.000 0.789 110 P CB 0.570 32.404 31.700 0.223 0.000 0.951 111 R N 0.303 120.947 120.500 0.240 0.000 2.393 111 R HA 0.587 4.928 4.340 0.002 0.000 0.315 111 R C 0.204 176.717 176.300 0.355 0.000 0.952 111 R CA -0.387 55.894 56.100 0.301 0.000 0.842 111 R CB 0.806 31.296 30.300 0.316 0.000 1.163 111 R HN 0.607 nan 8.270 nan 0.000 0.450 112 G N 1.854 110.905 108.800 0.419 0.000 2.483 112 G HA2 0.293 4.255 3.960 0.002 0.000 0.248 112 G HA3 0.293 4.255 3.960 0.002 0.000 0.248 112 G C -1.134 173.896 174.900 0.216 0.000 1.248 112 G CA 0.058 45.337 45.100 0.300 0.000 0.838 112 G HN 0.458 nan 8.290 nan 0.000 0.566 113 F N 1.850 121.783 119.950 -0.028 0.000 2.810 113 F HA 0.486 5.014 4.527 0.002 0.000 0.373 113 F C -0.119 175.528 175.800 -0.256 0.000 1.174 113 F CA -1.013 56.971 58.000 -0.027 0.000 1.141 113 F CB 1.360 40.416 39.000 0.094 0.000 1.420 113 F HN 0.325 nan 8.300 nan 0.000 0.518 114 S N 3.607 119.021 115.700 -0.475 0.000 2.482 114 S HA 0.840 5.311 4.470 0.002 0.000 0.303 114 S C -1.027 173.033 174.600 -0.901 0.000 1.091 114 S CA -0.696 57.001 58.200 -0.837 0.000 1.057 114 S CB 2.080 64.310 63.200 -1.617 0.000 1.031 114 S HN 0.270 nan 8.310 nan 0.000 0.485 115 V N 3.315 122.912 119.914 -0.529 0.000 2.569 115 V HA 0.417 4.538 4.120 0.002 0.000 0.301 115 V C -0.324 175.685 176.094 -0.143 0.000 1.044 115 V CA -0.843 61.228 62.300 -0.382 0.000 0.874 115 V CB 1.787 33.383 31.823 -0.379 0.000 1.002 115 V HN 0.802 nan 8.190 nan 0.000 0.424 116 K N 4.246 124.627 120.400 -0.030 0.000 2.234 116 K HA 0.583 4.904 4.320 0.002 0.000 0.277 116 K C -1.470 174.874 176.600 -0.428 0.000 1.038 116 K CA -0.375 55.826 56.287 -0.143 0.000 0.888 116 K CB 0.611 32.949 32.500 -0.270 0.000 1.091 116 K HN 0.435 nan 8.250 nan 0.000 0.467 117 F N 4.410 124.110 119.950 -0.418 0.000 2.404 117 F HA 0.262 4.791 4.527 0.002 0.000 0.354 117 F C -0.604 174.994 175.800 -0.337 0.000 1.122 117 F CA -0.595 57.206 58.000 -0.331 0.000 1.080 117 F CB 0.764 39.556 39.000 -0.347 0.000 1.131 117 F HN 0.408 nan 8.300 nan 0.000 0.471 118 Y N 1.953 122.273 120.300 0.035 0.000 2.595 118 Y HA 0.329 4.880 4.550 0.002 0.000 0.347 118 Y C 0.741 176.643 175.900 0.002 0.000 1.025 118 Y CA -0.433 57.696 58.100 0.047 0.000 1.295 118 Y CB 0.373 38.869 38.460 0.060 0.000 1.147 118 Y HN 0.466 nan 8.280 nan 0.000 0.515 119 T N 1.436 116.070 114.554 0.133 0.000 2.934 119 T HA 0.073 4.425 4.350 0.002 0.000 0.283 119 T C 1.199 175.997 174.700 0.162 0.000 1.005 119 T CA -0.653 61.477 62.100 0.050 0.000 1.041 119 T CB 1.290 70.155 68.868 -0.005 0.000 1.042 119 T HN 0.712 nan 8.240 nan 0.000 0.505 120 E N 0.754 121.035 120.200 0.135 0.000 2.333 120 E HA -0.094 4.257 4.350 0.002 0.000 0.198 120 E C 0.731 177.437 176.600 0.177 0.000 1.007 120 E CA 1.145 57.686 56.400 0.234 0.000 0.845 120 E CB 0.219 30.018 29.700 0.165 0.000 0.766 120 E HN 0.550 nan 8.360 nan 0.000 0.507 121 E N -0.551 119.725 120.200 0.127 0.000 2.736 121 E HA 0.277 4.628 4.350 0.002 0.000 0.208 121 E C -0.220 176.402 176.600 0.036 0.000 0.996 121 E CA 0.002 56.437 56.400 0.058 0.000 1.104 121 E CB 1.187 30.931 29.700 0.074 0.000 1.111 121 E HN 0.292 nan 8.360 nan 0.000 0.455 122 G N 1.231 110.075 108.800 0.073 0.000 2.525 122 G HA2 -0.181 3.780 3.960 0.002 0.000 0.685 122 G HA3 -0.181 3.780 3.960 0.002 0.000 0.685 122 G C -0.970 173.979 174.900 0.081 0.000 1.290 122 G CA -1.150 43.987 45.100 0.061 0.000 0.915 122 G HN 0.111 nan 8.290 nan 0.000 0.548 123 N N -0.433 118.300 118.700 0.055 0.000 2.514 123 N HA 0.513 5.254 4.740 0.002 0.000 0.277 123 N C -0.704 174.873 175.510 0.111 0.000 1.126 123 N CA -0.058 53.005 53.050 0.023 0.000 0.978 123 N CB 1.176 39.619 38.487 -0.074 0.000 1.106 123 N HN 0.666 nan 8.380 nan 0.000 0.461 124 W N 2.407 123.655 121.300 -0.088 0.000 2.529 124 W HA 0.374 5.035 4.660 0.002 0.000 0.321 124 W C -1.305 175.236 176.519 0.036 0.000 1.047 124 W CA -0.836 56.463 57.345 -0.077 0.000 1.216 124 W CB 0.852 30.190 29.460 -0.204 0.000 1.357 124 W HN 0.338 nan 8.180 nan 0.000 0.489 125 D N 5.836 126.085 120.400 -0.253 0.000 2.303 125 D HA 0.152 4.794 4.640 0.002 0.000 0.236 125 D C -1.013 174.857 176.300 -0.717 0.000 1.068 125 D CA -0.294 53.508 54.000 -0.330 0.000 0.830 125 D CB 1.042 41.806 40.800 -0.058 0.000 1.109 125 D HN 0.264 nan 8.370 nan 0.000 0.496 126 F N 2.845 122.269 119.950 -0.876 0.000 2.424 126 F HA 0.306 4.834 4.527 0.002 0.000 0.356 126 F C -0.453 175.109 175.800 -0.397 0.000 1.110 126 F CA -0.370 57.267 58.000 -0.604 0.000 1.161 126 F CB 0.677 39.441 39.000 -0.394 0.000 1.115 126 F HN 0.022 nan 8.300 nan 0.000 0.507 127 V N 7.068 126.437 119.914 -0.909 0.000 2.380 127 V HA 0.573 4.695 4.120 0.002 0.000 0.272 127 V C 0.245 175.863 176.094 -0.793 0.000 1.011 127 V CA -0.274 61.596 62.300 -0.717 0.000 0.826 127 V CB 0.382 31.854 31.823 -0.586 0.000 1.040 127 V HN 1.006 nan 8.190 nan 0.000 0.441 128 G N 2.618 110.973 108.800 -0.741 0.000 3.108 128 G HA2 0.680 4.641 3.960 0.002 0.000 0.268 128 G HA3 0.680 4.641 3.960 0.002 0.000 0.268 128 G C -1.138 173.736 174.900 -0.043 0.000 1.361 128 G CA -0.599 44.237 45.100 -0.441 0.000 1.047 128 G HN 0.427 nan 8.290 nan 0.000 0.540 129 N N -0.602 118.128 118.700 0.051 0.000 2.469 129 N HA 0.222 4.963 4.740 0.002 0.000 0.286 129 N C 1.136 176.766 175.510 0.200 0.000 1.275 129 N CA -0.690 52.468 53.050 0.180 0.000 0.790 129 N CB 1.853 40.452 38.487 0.186 0.000 1.446 129 N HN 0.533 nan 8.380 nan 0.000 0.501 130 N N 0.567 119.417 118.700 0.249 0.000 2.084 130 N HA -0.109 4.632 4.740 0.002 0.000 0.190 130 N C 0.324 175.915 175.510 0.135 0.000 1.030 130 N CA 1.179 54.363 53.050 0.224 0.000 0.849 130 N CB -0.628 38.012 38.487 0.255 0.000 1.012 130 N HN 0.471 nan 8.380 nan 0.000 0.423 131 L N 1.408 122.689 121.223 0.095 0.000 2.456 131 L HA 0.178 4.519 4.340 0.002 0.000 0.272 131 L C -1.323 175.498 176.870 -0.082 0.000 1.189 131 L CA -1.329 53.511 54.840 -0.000 0.000 0.846 131 L CB 0.357 42.385 42.059 -0.050 0.000 1.111 131 L HN 0.092 nan 8.230 nan 0.000 0.475 132 P HA 0.031 nan 4.420 nan 0.000 0.255 132 P C -0.225 176.912 177.300 -0.272 0.000 1.248 132 P CA 0.362 63.350 63.100 -0.187 0.000 0.807 132 P CB 0.321 31.955 31.700 -0.110 0.000 1.150 133 V N -4.764 114.956 119.914 -0.323 0.000 3.167 133 V HA 0.668 4.790 4.120 0.002 0.000 0.310 133 V C -1.081 174.950 176.094 -0.105 0.000 1.207 133 V CA -1.444 60.703 62.300 -0.255 0.000 1.059 133 V CB 2.293 33.930 31.823 -0.309 0.000 1.079 133 V HN -0.130 nan 8.190 nan 0.000 0.446 134 F N -0.364 119.439 119.950 -0.245 0.000 2.618 134 F HA 0.658 5.187 4.527 0.002 0.000 0.332 134 F C 0.720 176.454 175.800 -0.110 0.000 1.061 134 F CA -0.952 56.947 58.000 -0.168 0.000 0.974 134 F CB 2.230 41.222 39.000 -0.014 0.000 1.310 134 F HN 0.540 nan 8.300 nan 0.000 0.491 135 F N 2.189 121.858 119.950 -0.468 0.000 2.407 135 F HA 0.051 4.579 4.527 0.002 0.000 0.299 135 F C 0.551 176.357 175.800 0.009 0.000 1.097 135 F CA 0.672 58.532 58.000 -0.234 0.000 1.422 135 F CB -0.300 38.499 39.000 -0.334 0.000 1.067 135 F HN 0.100 nan 8.300 nan 0.000 0.539 136 I N -2.522 118.260 120.570 0.353 0.000 3.191 136 I HA 0.479 4.650 4.170 0.002 0.000 0.313 136 I C 0.419 176.719 176.117 0.305 0.000 1.193 136 I CA -1.184 60.313 61.300 0.329 0.000 0.968 136 I CB 2.358 40.602 38.000 0.407 0.000 1.262 136 I HN -0.076 nan 8.210 nan 0.000 0.456 137 R N 0.230 120.854 120.500 0.207 0.000 2.549 137 R HA 0.434 4.775 4.340 0.002 0.000 0.344 137 R C -0.856 175.516 176.300 0.120 0.000 0.979 137 R CA -0.283 55.907 56.100 0.151 0.000 1.140 137 R CB 0.497 30.853 30.300 0.093 0.000 1.377 137 R HN 0.741 nan 8.270 nan 0.000 0.541 138 D N -0.166 120.320 120.400 0.144 0.000 2.947 138 D HA 0.263 4.904 4.640 0.002 0.000 0.224 138 D C 0.219 176.600 176.300 0.136 0.000 1.230 138 D CA -0.300 53.763 54.000 0.105 0.000 0.871 138 D CB 2.407 43.260 40.800 0.089 0.000 1.671 138 D HN 0.010 nan 8.370 nan 0.000 0.507 139 A N 3.373 126.247 122.820 0.091 0.000 2.024 139 A HA -0.195 4.126 4.320 0.002 0.000 0.220 139 A C 1.914 179.586 177.584 0.145 0.000 1.164 139 A CA 1.441 53.539 52.037 0.103 0.000 0.643 139 A CB -0.415 18.611 19.000 0.043 0.000 0.806 139 A HN 0.613 nan 8.150 nan 0.000 0.451 140 M N -0.578 119.091 119.600 0.114 0.000 2.260 140 M HA -0.126 4.355 4.480 0.002 0.000 0.261 140 M C 1.094 177.471 176.300 0.128 0.000 1.066 140 M CA 1.614 56.975 55.300 0.102 0.000 1.082 140 M CB -0.151 32.496 32.600 0.078 0.000 1.388 140 M HN 0.107 nan 8.290 nan 0.000 0.419 141 K N -1.601 118.909 120.400 0.183 0.000 2.374 141 K HA 0.103 4.424 4.320 0.002 0.000 0.196 141 K C 1.513 178.218 176.600 0.174 0.000 1.023 141 K CA 0.270 56.688 56.287 0.218 0.000 1.103 141 K CB -0.613 32.075 32.500 0.312 0.000 0.848 141 K HN 0.364 nan 8.250 nan 0.000 0.528 142 F N 2.929 122.902 119.950 0.038 0.000 2.113 142 F HA -0.046 4.482 4.527 0.002 0.000 0.297 142 F C -1.036 174.683 175.800 -0.135 0.000 1.103 142 F CA 0.776 58.778 58.000 0.004 0.000 1.248 142 F CB -0.821 38.209 39.000 0.050 0.000 0.999 142 F HN 0.005 nan 8.300 nan 0.000 0.475 143 P HA -0.157 nan 4.420 nan 0.000 0.215 143 P C 1.245 178.140 177.300 -0.675 0.000 1.153 143 P CA 2.003 64.834 63.100 -0.448 0.000 0.853 143 P CB -0.081 31.428 31.700 -0.317 0.000 0.788 144 D N -0.946 119.185 120.400 -0.449 0.000 2.092 144 D HA -0.181 4.460 4.640 0.002 0.000 0.193 144 D C 1.902 177.732 176.300 -0.785 0.000 0.994 144 D CA 1.185 54.936 54.000 -0.415 0.000 0.828 144 D CB -0.665 40.084 40.800 -0.086 0.000 0.963 144 D HN 0.137 nan 8.370 nan 0.000 0.450 145 M N 0.943 119.901 119.600 -1.070 0.000 2.065 145 M HA -0.186 4.295 4.480 0.002 0.000 0.259 145 M C 2.225 177.982 176.300 -0.906 0.000 1.069 145 M CA 1.432 55.870 55.300 -1.438 0.000 1.110 145 M CB -0.085 31.977 32.600 -0.896 0.000 1.328 145 M HN -0.147 nan 8.290 nan 0.000 0.405 146 V N 0.064 119.501 119.914 -0.794 0.000 2.343 146 V HA -0.321 3.801 4.120 0.002 0.000 0.247 146 V C 2.117 178.036 176.094 -0.292 0.000 1.051 146 V CA 2.147 64.092 62.300 -0.591 0.000 1.036 146 V CB -1.318 30.096 31.823 -0.681 0.000 0.654 146 V HN 0.575 nan 8.190 nan 0.000 0.451 147 H N 0.129 118.966 119.070 -0.388 0.000 2.387 147 H HA -0.144 4.413 4.556 0.002 0.000 0.299 147 H C 2.532 177.724 175.328 -0.225 0.000 1.090 147 H CA 1.447 57.342 56.048 -0.257 0.000 1.332 147 H CB 0.100 29.745 29.762 -0.195 0.000 1.386 147 H HN 0.608 nan 8.280 nan 0.000 0.516 148 S N 0.577 116.175 115.700 -0.170 0.000 2.406 148 S HA -0.065 4.407 4.470 0.002 0.000 0.228 148 S C 2.062 176.629 174.600 -0.055 0.000 1.020 148 S CA 0.535 58.667 58.200 -0.113 0.000 0.965 148 S CB -0.362 62.733 63.200 -0.176 0.000 0.798 148 S HN 0.280 nan 8.310 nan 0.000 0.488 149 L N 0.513 121.612 121.223 -0.207 0.000 2.209 149 L HA 0.180 4.522 4.340 0.002 0.000 0.207 149 L C 1.205 177.967 176.870 -0.179 0.000 1.094 149 L CA 0.428 55.128 54.840 -0.233 0.000 0.790 149 L CB -0.268 41.505 42.059 -0.476 0.000 0.932 149 L HN 0.110 nan 8.230 nan 0.000 0.447 150 K N 0.930 121.210 120.400 -0.200 0.000 2.440 150 K HA 0.091 4.412 4.320 0.002 0.000 0.270 150 K C -2.131 174.386 176.600 -0.138 0.000 0.980 150 K CA -1.408 54.752 56.287 -0.212 0.000 0.953 150 K CB -0.304 32.084 32.500 -0.187 0.000 0.925 150 K HN -0.184 nan 8.250 nan 0.000 0.497 151 P HA -0.184 nan 4.420 nan 0.000 0.263 151 P C -0.222 177.055 177.300 -0.039 0.000 1.168 151 P CA 0.432 63.505 63.100 -0.045 0.000 0.759 151 P CB 0.304 31.985 31.700 -0.031 0.000 0.782 152 D N 5.706 126.105 120.400 -0.001 0.000 2.583 152 D HA -0.085 4.556 4.640 0.002 0.000 0.232 152 D C -1.258 175.025 176.300 -0.029 0.000 1.128 152 D CA -0.897 53.098 54.000 -0.009 0.000 0.859 152 D CB 0.604 41.412 40.800 0.014 0.000 1.169 152 D HN 0.252 nan 8.370 nan 0.000 0.481 153 P HA -0.002 nan 4.420 nan 0.000 0.245 153 P C 0.989 178.267 177.300 -0.037 0.000 1.212 153 P CA 0.483 63.545 63.100 -0.064 0.000 0.774 153 P CB 0.397 32.040 31.700 -0.095 0.000 0.999 154 R N 0.302 120.790 120.500 -0.021 0.000 2.140 154 R HA 0.029 4.370 4.340 0.002 0.000 0.200 154 R C 2.160 178.459 176.300 -0.002 0.000 1.069 154 R CA 1.445 57.539 56.100 -0.010 0.000 1.088 154 R CB -0.379 29.919 30.300 -0.004 0.000 1.012 154 R HN 0.093 nan 8.270 nan 0.000 0.500 155 T N -1.997 112.560 114.554 0.005 0.000 3.067 155 T HA 0.034 4.385 4.350 0.002 0.000 0.257 155 T C 0.676 175.386 174.700 0.017 0.000 1.105 155 T CA 0.612 62.720 62.100 0.013 0.000 1.104 155 T CB -0.056 68.825 68.868 0.022 0.000 0.925 155 T HN 0.344 nan 8.240 nan 0.000 0.498 156 N N 0.435 119.142 118.700 0.011 0.000 2.741 156 N HA -0.133 4.608 4.740 0.002 0.000 0.250 156 N C -1.020 174.519 175.510 0.049 0.000 1.115 156 N CA 0.536 53.597 53.050 0.018 0.000 0.724 156 N CB -1.895 36.602 38.487 0.016 0.000 1.090 156 N HN 0.766 nan 8.380 nan 0.000 0.558 157 I N 0.329 120.932 120.570 0.056 0.000 2.533 157 I HA 0.177 4.349 4.170 0.002 0.000 0.290 157 I C 0.566 176.749 176.117 0.110 0.000 1.056 157 I CA -0.767 60.590 61.300 0.095 0.000 1.057 157 I CB 1.933 39.979 38.000 0.076 0.000 1.240 157 I HN 0.065 nan 8.210 nan 0.000 0.423 158 Q N 4.267 124.177 119.800 0.183 0.000 2.330 158 Q HA 0.030 4.371 4.340 0.002 0.000 0.279 158 Q C -1.177 174.939 176.000 0.192 0.000 1.024 158 Q CA 0.549 56.473 55.803 0.201 0.000 0.900 158 Q CB 0.819 29.745 28.738 0.313 0.000 1.221 158 Q HN 0.481 nan 8.270 nan 0.000 0.396 159 D N 4.473 124.976 120.400 0.172 0.000 2.575 159 D HA 0.290 4.931 4.640 0.002 0.000 0.250 159 D C -2.304 173.932 176.300 -0.106 0.000 1.279 159 D CA -2.167 51.877 54.000 0.073 0.000 0.925 159 D CB 1.902 42.731 40.800 0.049 0.000 1.261 159 D HN 0.247 nan 8.370 nan 0.000 0.567 160 P HA -0.085 nan 4.420 nan 0.000 0.219 160 P C 0.767 177.871 177.300 -0.327 0.000 1.146 160 P CA 0.850 63.459 63.100 -0.819 0.000 0.808 160 P CB 0.376 31.988 31.700 -0.146 0.000 0.779 161 D N -1.012 119.332 120.400 -0.094 0.000 2.218 161 D HA -0.147 4.494 4.640 0.002 0.000 0.204 161 D C 1.951 178.260 176.300 0.015 0.000 0.976 161 D CA 0.978 54.994 54.000 0.027 0.000 0.853 161 D CB 0.032 40.884 40.800 0.087 0.000 0.939 161 D HN 0.033 nan 8.370 nan 0.000 0.481 162 R N -1.117 119.364 120.500 -0.032 0.000 2.057 162 R HA -0.050 4.292 4.340 0.002 0.000 0.224 162 R C 2.380 178.724 176.300 0.073 0.000 1.136 162 R CA 1.289 57.401 56.100 0.019 0.000 0.968 162 R CB -0.545 29.775 30.300 0.032 0.000 0.863 162 R HN 0.420 nan 8.270 nan 0.000 0.433 163 Y N -1.742 118.587 120.300 0.049 0.000 2.373 163 Y HA -0.036 4.516 4.550 0.002 0.000 0.293 163 Y C 1.581 177.466 175.900 -0.025 0.000 1.129 163 Y CA 0.027 58.103 58.100 -0.041 0.000 1.226 163 Y CB -0.921 37.437 38.460 -0.171 0.000 1.000 163 Y HN 0.012 nan 8.280 nan 0.000 0.549 164 W N 1.425 122.752 121.300 0.046 0.000 2.402 164 W HA -0.077 4.585 4.660 0.002 0.000 0.286 164 W C 2.121 178.686 176.519 0.077 0.000 1.221 164 W CA 1.460 58.865 57.345 0.100 0.000 1.257 164 W CB -0.261 29.198 29.460 -0.001 0.000 1.120 164 W HN 0.164 nan 8.180 nan 0.000 0.551 165 D N -0.021 120.521 120.400 0.237 0.000 2.088 165 D HA -0.293 4.348 4.640 0.002 0.000 0.191 165 D C 1.889 178.270 176.300 0.135 0.000 0.992 165 D CA 1.692 55.772 54.000 0.134 0.000 0.831 165 D CB -0.782 40.051 40.800 0.054 0.000 0.973 165 D HN 0.086 nan 8.370 nan 0.000 0.447 166 F N 0.360 120.327 119.950 0.028 0.000 2.091 166 F HA -0.246 4.282 4.527 0.002 0.000 0.299 166 F C 2.266 178.071 175.800 0.009 0.000 1.103 166 F CA 1.705 59.706 58.000 0.001 0.000 1.228 166 F CB -0.237 38.742 39.000 -0.036 0.000 0.984 166 F HN -0.032 nan 8.300 nan 0.000 0.477 167 M N 0.474 120.172 119.600 0.164 0.000 2.099 167 M HA -0.150 4.332 4.480 0.002 0.000 0.262 167 M C 2.495 178.803 176.300 0.014 0.000 1.067 167 M CA 2.229 57.568 55.300 0.064 0.000 1.124 167 M CB -2.039 30.576 32.600 0.025 0.000 1.353 167 M HN 0.394 nan 8.290 nan 0.000 0.410 168 T N -0.872 113.762 114.554 0.133 0.000 2.759 168 T HA -0.117 4.234 4.350 0.002 0.000 0.269 168 T C 1.890 176.590 174.700 0.000 0.000 1.042 168 T CA 1.169 63.340 62.100 0.118 0.000 1.140 168 T CB -0.768 68.201 68.868 0.167 0.000 0.864 168 T HN 0.392 nan 8.240 nan 0.000 0.455 169 L N -0.605 120.572 121.223 -0.078 0.000 2.552 169 L HA 0.291 4.633 4.340 0.002 0.000 0.227 169 L C 1.613 178.349 176.870 -0.224 0.000 1.146 169 L CA 0.271 55.033 54.840 -0.130 0.000 0.858 169 L CB -0.081 41.897 42.059 -0.135 0.000 0.969 169 L HN 0.052 nan 8.230 nan 0.000 0.451 170 R N 0.309 120.618 120.500 -0.319 0.000 2.724 170 R HA 0.204 4.545 4.340 0.002 0.000 0.284 170 R C -1.776 174.425 176.300 -0.165 0.000 1.481 170 R CA -1.695 54.212 56.100 -0.321 0.000 1.652 170 R CB 0.555 30.470 30.300 -0.642 0.000 1.175 170 R HN -0.156 nan 8.270 nan 0.000 0.613 171 P HA -0.175 nan 4.420 nan 0.000 0.230 171 P C 0.416 177.583 177.300 -0.222 0.000 1.158 171 P CA 0.811 63.859 63.100 -0.086 0.000 0.769 171 P CB 0.387 32.102 31.700 0.025 0.000 0.807 172 E N 1.159 121.248 120.200 -0.186 0.000 2.331 172 E HA -0.145 4.206 4.350 0.002 0.000 0.199 172 E C 1.476 178.036 176.600 -0.067 0.000 1.008 172 E CA 1.491 57.798 56.400 -0.154 0.000 0.843 172 E CB -1.014 28.641 29.700 -0.076 0.000 0.761 172 E HN 0.357 nan 8.360 nan 0.000 0.507 173 S N 0.229 115.921 115.700 -0.014 0.000 2.515 173 S HA -0.064 4.407 4.470 0.002 0.000 0.231 173 S C 1.797 176.434 174.600 0.062 0.000 0.987 173 S CA 0.975 59.224 58.200 0.082 0.000 0.936 173 S CB -0.479 62.820 63.200 0.166 0.000 0.766 173 S HN 0.241 nan 8.310 nan 0.000 0.528 174 T N 3.088 117.641 114.554 -0.001 0.000 2.684 174 T HA -0.143 4.208 4.350 0.002 0.000 0.267 174 T C 1.820 176.605 174.700 0.142 0.000 1.036 174 T CA 1.726 63.834 62.100 0.013 0.000 1.148 174 T CB -0.799 68.060 68.868 -0.015 0.000 0.863 174 T HN 0.505 nan 8.240 nan 0.000 0.436 175 N N 0.828 119.590 118.700 0.104 0.000 2.061 175 N HA -0.114 4.627 4.740 0.002 0.000 0.193 175 N C 1.782 177.443 175.510 0.252 0.000 1.030 175 N CA 1.385 54.541 53.050 0.176 0.000 0.856 175 N CB -0.423 38.122 38.487 0.097 0.000 1.023 175 N HN 0.227 nan 8.380 nan 0.000 0.424 176 M N -0.161 119.464 119.600 0.041 0.000 2.117 176 M HA -0.012 4.469 4.480 0.002 0.000 0.262 176 M C 1.472 177.769 176.300 -0.005 0.000 1.065 176 M CA 1.071 56.269 55.300 -0.171 0.000 1.114 176 M CB -0.584 31.570 32.600 -0.743 0.000 1.361 176 M HN 0.096 nan 8.290 nan 0.000 0.408 177 L N 0.026 121.359 121.223 0.183 0.000 2.043 177 L HA -0.224 4.117 4.340 0.002 0.000 0.212 177 L C 2.332 179.539 176.870 0.561 0.000 1.075 177 L CA 1.751 56.891 54.840 0.500 0.000 0.752 177 L CB -1.285 41.190 42.059 0.692 0.000 0.891 177 L HN 0.385 nan 8.230 nan 0.000 0.432 178 M N -1.648 118.238 119.600 0.477 0.000 2.267 178 M HA -0.222 4.259 4.480 0.002 0.000 0.263 178 M C 2.213 178.609 176.300 0.160 0.000 1.063 178 M CA 1.590 57.086 55.300 0.327 0.000 1.090 178 M CB -1.141 31.602 32.600 0.238 0.000 1.392 178 M HN 0.359 nan 8.290 nan 0.000 0.422 179 H N -1.011 118.147 119.070 0.148 0.000 2.388 179 H HA 0.154 4.711 4.556 0.002 0.000 0.304 179 H C 2.007 177.363 175.328 0.047 0.000 1.049 179 H CA 0.741 56.837 56.048 0.079 0.000 1.371 179 H CB 0.369 30.136 29.762 0.009 0.000 1.436 179 H HN 0.092 nan 8.280 nan 0.000 0.544 180 I N 0.029 120.666 120.570 0.112 0.000 2.546 180 I HA -0.179 3.992 4.170 0.002 0.000 0.255 180 I C 0.650 176.662 176.117 -0.174 0.000 1.163 180 I CA 1.377 62.622 61.300 -0.091 0.000 1.457 180 I CB -0.301 37.555 38.000 -0.240 0.000 1.092 180 I HN 0.228 nan 8.210 nan 0.000 0.434 181 F N 0.676 120.722 119.950 0.161 0.000 2.765 181 F HA 0.006 4.534 4.527 0.002 0.000 0.302 181 F C 1.793 177.660 175.800 0.112 0.000 1.111 181 F CA -0.184 57.909 58.000 0.155 0.000 1.359 181 F CB -0.203 38.915 39.000 0.197 0.000 1.097 181 F HN 0.021 nan 8.300 nan 0.000 0.577 182 T N -3.044 111.636 114.554 0.211 0.000 2.689 182 T HA -0.005 4.346 4.350 0.002 0.000 0.308 182 T C 1.058 175.831 174.700 0.122 0.000 1.021 182 T CA -0.447 61.740 62.100 0.144 0.000 0.973 182 T CB 0.552 69.479 68.868 0.099 0.000 1.113 182 T HN -0.052 nan 8.240 nan 0.000 0.522 183 D N -0.497 119.961 120.400 0.096 0.000 2.348 183 D HA -0.022 4.620 4.640 0.002 0.000 0.216 183 D C 1.707 178.055 176.300 0.080 0.000 0.970 183 D CA 0.568 54.619 54.000 0.084 0.000 0.889 183 D CB -0.205 40.637 40.800 0.070 0.000 0.912 183 D HN 0.766 nan 8.370 nan 0.000 0.524 184 E N 0.299 120.550 120.200 0.085 0.000 2.409 184 E HA -0.068 4.283 4.350 0.002 0.000 0.198 184 E C 1.948 178.599 176.600 0.084 0.000 1.024 184 E CA 0.358 56.814 56.400 0.093 0.000 0.861 184 E CB -0.070 29.696 29.700 0.111 0.000 0.788 184 E HN 0.237 nan 8.360 nan 0.000 0.521 185 G N 0.813 109.647 108.800 0.057 0.000 2.470 185 G HA2 -0.152 3.810 3.960 0.002 0.000 0.220 185 G HA3 -0.152 3.810 3.960 0.002 0.000 0.220 185 G C 0.928 175.854 174.900 0.044 0.000 1.121 185 G CA 0.404 45.513 45.100 0.014 0.000 0.766 185 G HN 0.205 nan 8.290 nan 0.000 0.553 186 I N 1.242 121.852 120.570 0.067 0.000 2.698 186 I HA 0.240 4.411 4.170 0.002 0.000 0.276 186 I C -2.652 173.519 176.117 0.089 0.000 1.166 186 I CA -2.016 59.331 61.300 0.078 0.000 1.101 186 I CB 2.188 40.229 38.000 0.068 0.000 1.305 186 I HN -0.180 nan 8.210 nan 0.000 0.526 187 P HA 0.020 nan 4.420 nan 0.000 0.267 187 P C 0.774 178.136 177.300 0.102 0.000 1.200 187 P CA 0.178 63.341 63.100 0.105 0.000 0.772 187 P CB 1.098 32.868 31.700 0.118 0.000 0.855 188 A N 1.961 124.845 122.820 0.108 0.000 2.014 188 A HA 0.103 4.425 4.320 0.002 0.000 0.218 188 A C 0.803 178.453 177.584 0.111 0.000 1.163 188 A CA 1.835 53.944 52.037 0.119 0.000 0.652 188 A CB -0.601 18.450 19.000 0.085 0.000 0.808 188 A HN 0.670 nan 8.150 nan 0.000 0.449 189 S N -4.445 111.247 115.700 -0.013 0.000 2.636 189 S HA 0.441 4.912 4.470 0.002 0.000 0.266 189 S C 0.210 174.714 174.600 -0.159 0.000 1.147 189 S CA -0.331 57.736 58.200 -0.222 0.000 0.815 189 S CB -0.221 62.858 63.200 -0.202 0.000 1.119 189 S HN 0.094 nan 8.310 nan 0.000 0.470 190 Y N 1.801 122.013 120.300 -0.145 0.000 2.256 190 Y HA -0.052 4.499 4.550 0.002 0.000 0.288 190 Y C 2.636 178.396 175.900 -0.233 0.000 1.155 190 Y CA 1.846 59.779 58.100 -0.277 0.000 1.203 190 Y CB -0.604 37.656 38.460 -0.333 0.000 0.980 190 Y HN 0.782 nan 8.280 nan 0.000 0.530 191 R N 0.625 121.140 120.500 0.025 0.000 2.299 191 R HA 0.066 4.407 4.340 0.002 0.000 0.197 191 R C 0.422 176.692 176.300 -0.051 0.000 0.971 191 R CA 0.654 56.751 56.100 -0.006 0.000 1.030 191 R CB -0.260 29.987 30.300 -0.089 0.000 0.932 191 R HN 0.176 nan 8.270 nan 0.000 0.477 192 K N 1.711 122.146 120.400 0.058 0.000 3.010 192 K HA 0.273 4.594 4.320 0.002 0.000 0.211 192 K C -0.265 176.444 176.600 0.182 0.000 1.146 192 K CA -0.223 56.142 56.287 0.129 0.000 1.070 192 K CB 0.785 33.387 32.500 0.170 0.000 0.908 192 K HN 0.260 nan 8.250 nan 0.000 0.463 193 M N -1.434 118.326 119.600 0.267 0.000 2.618 193 M HA 0.502 4.983 4.480 0.002 0.000 0.281 193 M C -0.899 175.717 176.300 0.527 0.000 1.267 193 M CA -1.131 54.363 55.300 0.323 0.000 0.845 193 M CB 1.835 34.605 32.600 0.284 0.000 1.732 193 M HN -0.076 nan 8.290 nan 0.000 0.461 194 R N 0.659 121.411 120.500 0.420 0.000 2.541 194 R HA 0.944 5.285 4.340 0.002 0.000 0.254 194 R C -0.258 176.247 176.300 0.341 0.000 1.130 194 R CA -0.640 55.721 56.100 0.434 0.000 1.152 194 R CB 0.735 31.210 30.300 0.291 0.000 1.222 194 R HN 0.887 nan 8.270 nan 0.000 0.579 195 G N -0.635 108.194 108.800 0.048 0.000 2.563 195 G HA2 0.535 4.496 3.960 0.002 0.000 0.302 195 G HA3 0.535 4.496 3.960 0.002 0.000 0.302 195 G C -1.454 173.449 174.900 0.005 0.000 1.301 195 G CA -0.839 44.099 45.100 -0.270 0.000 0.965 195 G HN 0.475 nan 8.290 nan 0.000 0.480 196 S N -0.569 115.208 115.700 0.128 0.000 2.548 196 S HA 0.390 4.862 4.470 0.002 0.000 0.276 196 S C 1.023 175.713 174.600 0.149 0.000 1.129 196 S CA -0.135 58.117 58.200 0.086 0.000 0.931 196 S CB 1.891 65.081 63.200 -0.017 0.000 1.068 196 S HN 1.098 nan 8.310 nan 0.000 0.480 197 S N 1.697 117.469 115.700 0.120 0.000 2.474 197 S HA -0.052 4.419 4.470 0.002 0.000 0.235 197 S C 1.475 175.943 174.600 -0.220 0.000 0.997 197 S CA 0.866 59.042 58.200 -0.040 0.000 0.949 197 S CB -0.615 62.651 63.200 0.110 0.000 0.766 197 S HN 0.925 nan 8.310 nan 0.000 0.517 198 V N 0.344 120.091 119.914 -0.278 0.000 0.532 198 V HA -0.346 3.776 4.120 0.002 0.000 0.092 198 V C 0.749 176.558 176.094 -0.475 0.000 2.164 198 V CA 2.351 64.399 62.300 -0.420 0.000 3.538 198 V CB -1.999 29.516 31.823 -0.513 0.000 0.829 198 V HN 0.777 nan 8.190 nan 0.000 0.866 199 H N 1.456 120.391 119.070 -0.225 0.000 2.615 199 H HA 0.556 5.113 4.556 0.002 0.000 0.363 199 H C 0.667 175.809 175.328 -0.310 0.000 1.148 199 H CA 0.451 56.317 56.048 -0.304 0.000 1.401 199 H CB 0.993 30.491 29.762 -0.440 0.000 1.461 199 H HN 0.775 nan 8.280 nan 0.000 0.588 200 S N 1.402 116.965 115.700 -0.229 0.000 2.601 200 S HA 0.491 4.962 4.470 0.002 0.000 0.271 200 S C -0.337 174.199 174.600 -0.107 0.000 1.305 200 S CA -0.493 57.612 58.200 -0.158 0.000 1.022 200 S CB 0.665 63.854 63.200 -0.019 0.000 0.940 200 S HN 0.422 nan 8.310 nan 0.000 0.525 201 F N 0.041 119.990 119.950 -0.002 0.000 2.740 201 F HA 0.596 5.124 4.527 0.002 0.000 0.357 201 F C 0.357 176.192 175.800 0.059 0.000 1.141 201 F CA -1.203 56.825 58.000 0.047 0.000 1.044 201 F CB 1.828 40.848 39.000 0.034 0.000 1.430 201 F HN 0.427 nan 8.300 nan 0.000 0.518 202 K N 0.589 121.151 120.400 0.270 0.000 2.270 202 K HA 0.332 4.654 4.320 0.002 0.000 0.255 202 K C -1.882 174.919 176.600 0.334 0.000 0.936 202 K CA -0.673 55.687 56.287 0.121 0.000 0.809 202 K CB 1.840 34.339 32.500 -0.001 0.000 1.131 202 K HN 0.330 nan 8.250 nan 0.000 0.427 203 W N 2.065 123.339 121.300 -0.043 0.000 2.587 203 W HA 0.422 5.083 4.660 0.002 0.000 0.324 203 W C -0.763 175.733 176.519 -0.040 0.000 1.040 203 W CA -0.846 56.464 57.345 -0.059 0.000 1.222 203 W CB 1.595 31.018 29.460 -0.061 0.000 1.381 203 W HN 0.105 nan 8.180 nan 0.000 0.483 204 V N 5.021 125.010 119.914 0.125 0.000 2.487 204 V HA 0.297 4.418 4.120 0.002 0.000 0.298 204 V C 0.167 176.267 176.094 0.011 0.000 1.028 204 V CA -0.972 61.361 62.300 0.056 0.000 0.860 204 V CB 1.285 33.116 31.823 0.012 0.000 0.991 204 V HN 0.562 nan 8.190 nan 0.000 0.427 205 N N 4.200 122.921 118.700 0.034 0.000 2.448 205 N HA 0.439 5.180 4.740 0.002 0.000 0.274 205 N C 1.138 176.631 175.510 -0.028 0.000 1.239 205 N CA -0.093 52.958 53.050 0.002 0.000 0.982 205 N CB 0.962 39.471 38.487 0.037 0.000 1.199 205 N HN 0.551 nan 8.380 nan 0.000 0.576 206 A N -0.950 121.840 122.820 -0.050 0.000 2.076 206 A HA -0.186 4.136 4.320 0.002 0.000 0.220 206 A C 1.302 178.758 177.584 -0.213 0.000 1.160 206 A CA 1.462 53.422 52.037 -0.129 0.000 0.653 206 A CB -1.158 17.759 19.000 -0.138 0.000 0.801 206 A HN 0.810 nan 8.150 nan 0.000 0.455 207 H N -2.120 116.923 119.070 -0.043 0.000 2.551 207 H HA 0.350 4.907 4.556 0.002 0.000 0.271 207 H C 1.528 176.841 175.328 -0.026 0.000 0.984 207 H CA 0.716 56.744 56.048 -0.034 0.000 1.164 207 H CB 0.408 30.153 29.762 -0.028 0.000 1.437 207 H HN 0.583 nan 8.280 nan 0.000 0.550 208 G N 0.808 109.629 108.800 0.037 0.000 2.157 208 G HA2 -0.321 3.640 3.960 0.002 0.000 0.248 208 G HA3 -0.321 3.640 3.960 0.002 0.000 0.248 208 G C 0.028 174.951 174.900 0.039 0.000 0.979 208 G CA 0.103 45.216 45.100 0.021 0.000 0.650 208 G HN 0.455 nan 8.290 nan 0.000 0.529 209 N N 0.702 119.440 118.700 0.063 0.000 2.497 209 N HA 0.521 5.262 4.740 0.002 0.000 0.271 209 N C 0.290 175.836 175.510 0.061 0.000 1.142 209 N CA 0.967 54.052 53.050 0.059 0.000 0.965 209 N CB 0.922 39.451 38.487 0.069 0.000 1.077 209 N HN 0.365 nan 8.380 nan 0.000 0.462 210 T N 1.891 116.467 114.554 0.037 0.000 2.856 210 T HA 0.645 4.997 4.350 0.002 0.000 0.283 210 T C -0.559 174.138 174.700 -0.005 0.000 1.008 210 T CA -0.678 61.432 62.100 0.015 0.000 0.997 210 T CB 0.390 69.232 68.868 -0.044 0.000 0.992 210 T HN 0.266 nan 8.240 nan 0.000 0.454 211 V N 2.443 122.365 119.914 0.014 0.000 3.001 211 V HA 0.684 4.805 4.120 0.002 0.000 0.314 211 V C -1.292 174.738 176.094 -0.106 0.000 1.099 211 V CA -1.409 60.881 62.300 -0.017 0.000 0.989 211 V CB 1.092 32.950 31.823 0.057 0.000 1.040 211 V HN 0.871 nan 8.190 nan 0.000 0.434 212 Y N 3.417 123.752 120.300 0.059 0.000 2.335 212 Y HA 0.691 5.242 4.550 0.002 0.000 0.331 212 Y C 0.348 176.281 175.900 0.055 0.000 1.094 212 Y CA -0.216 57.941 58.100 0.095 0.000 1.253 212 Y CB 1.231 39.822 38.460 0.218 0.000 1.203 212 Y HN 0.807 nan 8.280 nan 0.000 0.508 213 I N 0.027 120.627 120.570 0.051 0.000 2.785 213 I HA 0.758 4.930 4.170 0.002 0.000 0.302 213 I C -1.119 174.837 176.117 -0.269 0.000 1.069 213 I CA -1.288 59.858 61.300 -0.256 0.000 1.045 213 I CB 2.255 39.636 38.000 -1.032 0.000 1.236 213 I HN 0.302 nan 8.210 nan 0.000 0.429 214 K N 3.397 123.577 120.400 -0.367 0.000 2.267 214 K HA 0.754 5.075 4.320 0.002 0.000 0.246 214 K C -1.618 174.759 176.600 -0.372 0.000 0.954 214 K CA -0.576 55.419 56.287 -0.487 0.000 0.824 214 K CB 1.467 33.453 32.500 -0.856 0.000 1.167 214 K HN 0.563 nan 8.250 nan 0.000 0.431 215 L N 2.471 123.536 121.223 -0.263 0.000 2.334 215 L HA 0.592 4.933 4.340 0.002 0.000 0.276 215 L C -0.942 175.738 176.870 -0.317 0.000 1.014 215 L CA -0.573 54.111 54.840 -0.260 0.000 0.815 215 L CB 1.640 43.669 42.059 -0.050 0.000 1.268 215 L HN 0.537 nan 8.230 nan 0.000 0.428 216 R N 1.847 122.054 120.500 -0.487 0.000 2.538 216 R HA 0.463 4.804 4.340 0.002 0.000 0.292 216 R C -1.824 174.250 176.300 -0.378 0.000 1.008 216 R CA -0.349 55.499 56.100 -0.419 0.000 0.896 216 R CB 1.349 31.248 30.300 -0.668 0.000 1.187 216 R HN 0.444 nan 8.270 nan 0.000 0.440 217 W N 3.396 124.588 121.300 -0.179 0.000 2.475 217 W HA 0.580 5.242 4.660 0.002 0.000 0.317 217 W C -0.551 176.129 176.519 0.269 0.000 1.046 217 W CA -0.807 56.517 57.345 -0.035 0.000 1.215 217 W CB 1.768 30.895 29.460 -0.554 0.000 1.335 217 W HN 0.090 nan 8.180 nan 0.000 0.471 218 V N 5.837 126.176 119.914 0.708 0.000 2.409 218 V HA 0.403 4.524 4.120 0.002 0.000 0.291 218 V C -1.998 174.400 176.094 0.507 0.000 1.020 218 V CA -2.303 60.328 62.300 0.551 0.000 0.848 218 V CB 1.579 33.684 31.823 0.470 0.000 0.990 218 V HN 0.265 nan 8.190 nan 0.000 0.430 219 P HA 0.237 nan 4.420 nan 0.000 0.285 219 P C 0.389 177.641 177.300 -0.080 0.000 1.259 219 P CA -0.500 62.506 63.100 -0.156 0.000 0.794 219 P CB 1.521 33.111 31.700 -0.184 0.000 0.940 220 K N 3.313 123.623 120.400 -0.150 0.000 2.063 220 K HA -0.178 4.143 4.320 0.002 0.000 0.208 220 K C 1.161 177.731 176.600 -0.051 0.000 1.048 220 K CA 1.432 57.688 56.287 -0.051 0.000 0.928 220 K CB -0.058 32.410 32.500 -0.053 0.000 0.713 220 K HN 0.294 nan 8.250 nan 0.000 0.442 221 E N 0.452 120.579 120.200 -0.121 0.000 2.401 221 E HA -0.030 4.322 4.350 0.002 0.000 0.199 221 E C 0.860 177.537 176.600 0.127 0.000 1.023 221 E CA 0.903 57.284 56.400 -0.031 0.000 0.859 221 E CB -0.295 29.347 29.700 -0.096 0.000 0.780 221 E HN 0.579 nan 8.360 nan 0.000 0.523 222 G N 0.192 109.025 108.800 0.056 0.000 2.758 222 G HA2 -0.248 3.713 3.960 0.002 0.000 0.686 222 G HA3 -0.248 3.713 3.960 0.002 0.000 0.686 222 G C -0.248 174.620 174.900 -0.052 0.000 1.389 222 G CA -0.334 44.763 45.100 -0.005 0.000 0.845 222 G HN 0.064 nan 8.290 nan 0.000 0.572 223 V N 3.691 123.503 119.914 -0.169 0.000 2.427 223 V HA 0.429 4.550 4.120 0.002 0.000 0.268 223 V C 0.392 176.279 176.094 -0.345 0.000 1.046 223 V CA -0.055 62.182 62.300 -0.105 0.000 0.970 223 V CB 0.780 32.593 31.823 -0.017 0.000 1.001 223 V HN 0.720 nan 8.190 nan 0.000 0.476 224 H N 4.067 123.167 119.070 0.050 0.000 2.609 224 H HA 0.490 5.047 4.556 0.002 0.000 0.344 224 H C -0.644 174.710 175.328 0.043 0.000 1.040 224 H CA -0.579 55.490 56.048 0.035 0.000 1.216 224 H CB 2.122 31.894 29.762 0.016 0.000 1.529 224 H HN 0.671 nan 8.280 nan 0.000 0.519 225 N N 1.707 120.489 118.700 0.135 0.000 2.531 225 N HA 0.581 5.322 4.740 0.002 0.000 0.290 225 N C -0.879 174.678 175.510 0.079 0.000 1.257 225 N CA -0.809 52.300 53.050 0.098 0.000 0.863 225 N CB 2.170 40.704 38.487 0.078 0.000 1.320 225 N HN 0.254 nan 8.380 nan 0.000 0.538 226 L N 0.691 121.950 121.223 0.060 0.000 2.365 226 L HA 0.512 4.853 4.340 0.002 0.000 0.273 226 L C 0.278 177.173 176.870 0.041 0.000 1.000 226 L CA -0.852 54.008 54.840 0.034 0.000 0.819 226 L CB 1.831 43.892 42.059 0.003 0.000 1.284 226 L HN 0.669 nan 8.230 nan 0.000 0.418 227 S N 1.513 117.235 115.700 0.036 0.000 2.617 227 S HA 0.367 4.838 4.470 0.002 0.000 0.259 227 S C 1.215 175.841 174.600 0.043 0.000 1.301 227 S CA 0.074 58.300 58.200 0.044 0.000 0.984 227 S CB 1.449 64.672 63.200 0.037 0.000 0.954 227 S HN 0.716 nan 8.310 nan 0.000 0.572 228 A N 0.784 123.638 122.820 0.057 0.000 1.902 228 A HA -0.084 4.238 4.320 0.002 0.000 0.217 228 A C 1.785 179.391 177.584 0.037 0.000 1.181 228 A CA 1.803 53.875 52.037 0.059 0.000 0.623 228 A CB -1.186 17.862 19.000 0.081 0.000 0.818 228 A HN 0.873 nan 8.150 nan 0.000 0.443 229 D N -0.441 119.977 120.400 0.029 0.000 2.144 229 D HA -0.092 4.549 4.640 0.002 0.000 0.200 229 D C 1.900 178.201 176.300 0.002 0.000 0.978 229 D CA 1.316 55.325 54.000 0.016 0.000 0.833 229 D CB -0.402 40.408 40.800 0.015 0.000 0.961 229 D HN 0.640 nan 8.370 nan 0.000 0.470 230 E N 0.631 120.830 120.200 -0.001 0.000 2.077 230 E HA -0.133 4.218 4.350 0.002 0.000 0.193 230 E C 2.084 178.656 176.600 -0.045 0.000 0.989 230 E CA 1.095 57.482 56.400 -0.022 0.000 0.800 230 E CB -0.027 29.662 29.700 -0.018 0.000 0.746 230 E HN 0.193 nan 8.360 nan 0.000 0.452 231 A N 0.514 123.316 122.820 -0.031 0.000 1.902 231 A HA -0.181 4.140 4.320 0.002 0.000 0.217 231 A C 2.356 179.919 177.584 -0.036 0.000 1.181 231 A CA 1.848 53.858 52.037 -0.046 0.000 0.623 231 A CB -0.850 18.148 19.000 -0.002 0.000 0.818 231 A HN 0.185 nan 8.150 nan 0.000 0.443 232 T N -0.308 114.241 114.554 -0.010 0.000 2.684 232 T HA -0.184 4.167 4.350 0.002 0.000 0.267 232 T C 1.895 176.587 174.700 -0.013 0.000 1.036 232 T CA 1.819 63.917 62.100 -0.002 0.000 1.148 232 T CB -0.263 68.612 68.868 0.010 0.000 0.863 232 T HN 0.798 nan 8.240 nan 0.000 0.436 233 E N 0.643 120.829 120.200 -0.022 0.000 2.058 233 E HA -0.136 4.216 4.350 0.002 0.000 0.194 233 E C 2.132 178.705 176.600 -0.045 0.000 0.997 233 E CA 1.312 57.695 56.400 -0.027 0.000 0.801 233 E CB -0.344 29.339 29.700 -0.028 0.000 0.746 233 E HN 0.266 nan 8.360 nan 0.000 0.450 234 V N 1.085 120.948 119.914 -0.085 0.000 2.343 234 V HA -0.285 3.836 4.120 0.002 0.000 0.247 234 V C 2.666 178.716 176.094 -0.074 0.000 1.051 234 V CA 2.233 64.453 62.300 -0.134 0.000 1.036 234 V CB -0.796 30.838 31.823 -0.315 0.000 0.654 234 V HN 0.424 nan 8.190 nan 0.000 0.451 235 Q N 0.132 119.906 119.800 -0.042 0.000 2.152 235 Q HA -0.210 4.132 4.340 0.002 0.000 0.206 235 Q C 2.221 178.254 176.000 0.055 0.000 0.985 235 Q CA 2.074 57.894 55.803 0.028 0.000 0.863 235 Q CB -0.480 28.274 28.738 0.028 0.000 0.904 235 Q HN 0.683 nan 8.270 nan 0.000 0.422 236 G N -0.040 108.776 108.800 0.027 0.000 2.422 236 G HA2 -0.221 3.741 3.960 0.002 0.000 0.218 236 G HA3 -0.221 3.741 3.960 0.002 0.000 0.218 236 G C 1.388 176.315 174.900 0.045 0.000 1.140 236 G CA 0.841 45.960 45.100 0.032 0.000 0.775 236 G HN 0.172 nan 8.290 nan 0.000 0.545 237 K N -0.717 119.703 120.400 0.032 0.000 2.166 237 K HA 0.135 4.456 4.320 0.002 0.000 0.201 237 K C -0.198 176.428 176.600 0.044 0.000 1.052 237 K CA 0.477 56.781 56.287 0.029 0.000 0.969 237 K CB 0.468 32.968 32.500 0.000 0.000 0.761 237 K HN 0.185 nan 8.250 nan 0.000 0.459 238 D N -0.780 119.652 120.400 0.053 0.000 2.616 238 D HA 0.048 4.689 4.640 0.002 0.000 0.238 238 D C -0.371 175.984 176.300 0.093 0.000 1.354 238 D CA -0.535 53.481 54.000 0.028 0.000 0.970 238 D CB 0.508 41.306 40.800 -0.003 0.000 1.369 238 D HN 0.005 nan 8.370 nan 0.000 0.585 239 F N 1.928 121.898 119.950 0.034 0.000 2.797 239 F HA 0.398 4.926 4.527 0.002 0.000 0.302 239 F C 0.446 176.285 175.800 0.065 0.000 1.130 239 F CA -0.257 57.774 58.000 0.051 0.000 1.387 239 F CB 0.106 39.120 39.000 0.024 0.000 1.107 239 F HN 0.049 nan 8.300 nan 0.000 0.577 240 N N 1.115 119.582 118.700 -0.387 0.000 2.401 240 N HA -0.040 4.702 4.740 0.002 0.000 0.264 240 N C 1.290 176.695 175.510 -0.174 0.000 1.238 240 N CA 0.063 52.938 53.050 -0.291 0.000 0.889 240 N CB -0.482 37.728 38.487 -0.462 0.000 1.196 240 N HN 0.565 nan 8.380 nan 0.000 0.511 241 H N 0.197 119.181 119.070 -0.144 0.000 2.389 241 H HA 0.051 4.608 4.556 0.002 0.000 0.299 241 H C 1.503 176.726 175.328 -0.175 0.000 1.081 241 H CA 1.485 57.450 56.048 -0.139 0.000 1.345 241 H CB 0.092 29.790 29.762 -0.107 0.000 1.393 241 H HN 0.135 nan 8.280 nan 0.000 0.520 242 A N 1.106 123.302 122.820 -1.041 0.000 1.897 242 A HA -0.070 4.251 4.320 0.002 0.000 0.215 242 A C 2.761 180.025 177.584 -0.534 0.000 1.181 242 A CA 1.303 52.745 52.037 -0.991 0.000 0.620 242 A CB -0.703 17.378 19.000 -1.530 0.000 0.821 242 A HN 0.477 nan 8.150 nan 0.000 0.443 243 S N 0.425 115.976 115.700 -0.247 0.000 2.359 243 S HA -0.202 4.269 4.470 0.002 0.000 0.224 243 S C 2.091 176.606 174.600 -0.141 0.000 1.035 243 S CA 1.501 59.659 58.200 -0.071 0.000 1.018 243 S CB -0.490 62.842 63.200 0.220 0.000 0.876 243 S HN 0.705 nan 8.310 nan 0.000 0.448 244 N N 1.670 120.300 118.700 -0.116 0.000 2.043 244 N HA -0.164 4.577 4.740 0.002 0.000 0.193 244 N C 1.443 176.930 175.510 -0.038 0.000 1.037 244 N CA 1.980 54.990 53.050 -0.067 0.000 0.851 244 N CB -0.703 37.732 38.487 -0.087 0.000 1.027 244 N HN 0.442 nan 8.380 nan 0.000 0.422 245 D N -1.420 118.916 120.400 -0.106 0.000 2.117 245 D HA -0.079 4.562 4.640 0.002 0.000 0.197 245 D C 1.481 177.725 176.300 -0.092 0.000 0.987 245 D CA 1.794 55.743 54.000 -0.084 0.000 0.829 245 D CB -0.215 40.522 40.800 -0.106 0.000 0.961 245 D HN 0.282 nan 8.370 nan 0.000 0.460 246 T N -0.718 113.704 114.554 -0.220 0.000 2.857 246 T HA -0.080 4.272 4.350 0.002 0.000 0.266 246 T C 1.542 176.184 174.700 -0.096 0.000 1.048 246 T CA 0.712 62.659 62.100 -0.254 0.000 1.139 246 T CB -0.526 68.009 68.868 -0.555 0.000 0.874 246 T HN 0.196 nan 8.240 nan 0.000 0.455 247 F N 2.189 122.014 119.950 -0.207 0.000 2.102 247 F HA -0.108 4.420 4.527 0.002 0.000 0.298 247 F C 2.520 178.397 175.800 0.129 0.000 1.105 247 F CA 1.193 59.300 58.000 0.179 0.000 1.239 247 F CB -0.276 38.895 39.000 0.285 0.000 0.991 247 F HN -0.043 nan 8.300 nan 0.000 0.474 248 Q N 0.540 120.539 119.800 0.332 0.000 2.084 248 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 248 Q C 2.547 178.603 176.000 0.092 0.000 0.978 248 Q CA 1.496 57.425 55.803 0.211 0.000 0.844 248 Q CB -1.261 27.557 28.738 0.133 0.000 0.898 248 Q HN 0.522 nan 8.270 nan 0.000 0.426 249 A N 0.968 123.821 122.820 0.055 0.000 1.892 249 A HA -0.207 4.114 4.320 0.002 0.000 0.218 249 A C 2.221 179.838 177.584 0.055 0.000 1.188 249 A CA 1.598 53.650 52.037 0.026 0.000 0.631 249 A CB -0.831 18.178 19.000 0.014 0.000 0.822 249 A HN 0.338 nan 8.150 nan 0.000 0.447 250 I N -1.087 119.555 120.570 0.120 0.000 2.226 250 I HA -0.214 3.958 4.170 0.002 0.000 0.245 250 I C 2.540 178.752 176.117 0.158 0.000 1.100 250 I CA 1.681 63.122 61.300 0.235 0.000 1.374 250 I CB -0.212 37.889 38.000 0.170 0.000 1.057 250 I HN 0.310 nan 8.210 nan 0.000 0.413 251 E N 1.034 121.244 120.200 0.017 0.000 2.150 251 E HA -0.165 4.186 4.350 0.002 0.000 0.193 251 E C 1.630 178.254 176.600 0.041 0.000 0.985 251 E CA 1.103 57.514 56.400 0.018 0.000 0.814 251 E CB -0.091 29.640 29.700 0.051 0.000 0.752 251 E HN 0.356 nan 8.360 nan 0.000 0.466 252 N N -0.662 118.045 118.700 0.012 0.000 2.467 252 N HA 0.047 4.788 4.740 0.002 0.000 0.184 252 N C 0.779 176.207 175.510 -0.137 0.000 1.106 252 N CA 0.970 53.998 53.050 -0.037 0.000 0.892 252 N CB 0.695 39.162 38.487 -0.033 0.000 0.969 252 N HN 0.268 nan 8.380 nan 0.000 0.454 253 G N 0.867 109.525 108.800 -0.236 0.000 2.141 253 G HA2 -0.247 3.714 3.960 0.002 0.000 0.242 253 G HA3 -0.247 3.714 3.960 0.002 0.000 0.242 253 G C -0.293 174.073 174.900 -0.890 0.000 0.982 253 G CA 0.126 44.806 45.100 -0.701 0.000 0.662 253 G HN 0.378 nan 8.290 nan 0.000 0.527 254 D N 0.586 120.706 120.400 -0.465 0.000 2.564 254 D HA 0.415 5.056 4.640 0.002 0.000 0.226 254 D C 0.555 176.777 176.300 -0.131 0.000 1.149 254 D CA -0.741 53.081 54.000 -0.295 0.000 0.994 254 D CB -0.842 39.870 40.800 -0.147 0.000 1.029 254 D HN 0.277 nan 8.370 nan 0.000 0.517 255 F N 2.667 122.614 119.950 -0.004 0.000 2.541 255 F HA 0.199 4.727 4.527 0.002 0.000 0.378 255 F C -1.255 174.537 175.800 -0.014 0.000 1.068 255 F CA -2.079 55.929 58.000 0.014 0.000 1.199 255 F CB 0.377 39.397 39.000 0.033 0.000 1.091 255 F HN 0.142 nan 8.300 nan 0.000 0.555 256 P HA 0.028 nan 4.420 nan 0.000 0.264 256 P C -0.912 176.375 177.300 -0.023 0.000 1.193 256 P CA 0.295 63.360 63.100 -0.058 0.000 0.763 256 P CB 0.556 32.280 31.700 0.041 0.000 0.810 257 E N 2.030 122.079 120.200 -0.253 0.000 2.266 257 E HA 0.440 4.792 4.350 0.002 0.000 0.268 257 E C -0.907 175.647 176.600 -0.078 0.000 0.879 257 E CA -0.507 55.905 56.400 0.020 0.000 0.762 257 E CB 1.934 31.686 29.700 0.086 0.000 1.199 257 E HN 0.464 nan 8.360 nan 0.000 0.422 258 W N 1.559 123.041 121.300 0.303 0.000 2.915 258 W HA 0.289 4.950 4.660 0.002 0.000 0.337 258 W C -0.697 176.137 176.519 0.525 0.000 1.102 258 W CA -0.687 56.926 57.345 0.447 0.000 1.224 258 W CB 1.849 31.661 29.460 0.588 0.000 1.416 258 W HN 0.379 nan 8.180 nan 0.000 0.503 259 D N 2.640 123.455 120.400 0.692 0.000 2.225 259 D HA 0.211 4.852 4.640 0.002 0.000 0.248 259 D C -0.518 176.035 176.300 0.423 0.000 1.096 259 D CA -0.453 53.862 54.000 0.525 0.000 0.863 259 D CB 2.761 43.870 40.800 0.514 0.000 1.156 259 D HN 0.017 nan 8.370 nan 0.000 0.450 260 L N 3.318 124.557 121.223 0.028 0.000 2.290 260 L HA 0.380 4.721 4.340 0.002 0.000 0.284 260 L C -1.331 175.273 176.870 -0.444 0.000 1.078 260 L CA 0.062 54.635 54.840 -0.445 0.000 0.815 260 L CB 0.145 41.839 42.059 -0.607 0.000 1.162 260 L HN 0.204 nan 8.230 nan 0.000 0.435 261 F N 3.840 123.616 119.950 -0.290 0.000 2.579 261 F HA 0.709 5.237 4.527 0.002 0.000 0.324 261 F C -0.218 175.384 175.800 -0.330 0.000 1.058 261 F CA -0.727 57.159 58.000 -0.190 0.000 0.944 261 F CB 2.144 41.078 39.000 -0.109 0.000 1.245 261 F HN 0.232 nan 8.300 nan 0.000 0.477 262 V N 1.981 121.877 119.914 -0.031 0.000 2.789 262 V HA 0.502 4.623 4.120 0.002 0.000 0.311 262 V C -1.311 174.718 176.094 -0.109 0.000 1.073 262 V CA -0.338 61.845 62.300 -0.195 0.000 0.921 262 V CB 2.159 33.821 31.823 -0.269 0.000 1.009 262 V HN 0.794 nan 8.190 nan 0.000 0.426 263 Q N 3.506 123.220 119.800 -0.143 0.000 2.312 263 Q HA 0.734 5.075 4.340 0.002 0.000 0.263 263 Q C -1.540 174.479 176.000 0.033 0.000 0.995 263 Q CA -0.679 55.161 55.803 0.062 0.000 0.853 263 Q CB 2.613 31.509 28.738 0.264 0.000 1.300 263 Q HN 0.610 nan 8.270 nan 0.000 0.448 264 V N 3.283 123.197 119.914 -0.000 0.000 2.531 264 V HA 0.475 4.597 4.120 0.002 0.000 0.301 264 V C -1.169 174.911 176.094 -0.022 0.000 1.034 264 V CA -0.779 61.450 62.300 -0.119 0.000 0.865 264 V CB 1.684 33.246 31.823 -0.434 0.000 0.995 264 V HN 0.552 nan 8.190 nan 0.000 0.424 265 L N 4.030 125.259 121.223 0.010 0.000 2.376 265 L HA 0.600 4.942 4.340 0.002 0.000 0.275 265 L C -0.344 176.589 176.870 0.106 0.000 0.987 265 L CA 0.008 54.828 54.840 -0.035 0.000 0.828 265 L CB 1.728 43.594 42.059 -0.322 0.000 1.249 265 L HN 0.718 nan 8.230 nan 0.000 0.409 266 D N 5.901 126.355 120.400 0.091 0.000 2.389 266 D HA 0.145 4.786 4.640 0.002 0.000 0.247 266 D C -1.832 174.569 176.300 0.168 0.000 1.128 266 D CA -1.304 52.764 54.000 0.113 0.000 0.884 266 D CB 2.222 43.070 40.800 0.081 0.000 1.194 266 D HN 0.425 nan 8.370 nan 0.000 0.441 267 P HA -0.110 nan 4.420 nan 0.000 0.218 267 P C 0.673 178.066 177.300 0.155 0.000 1.146 267 P CA 1.037 64.305 63.100 0.280 0.000 0.813 267 P CB 0.172 31.968 31.700 0.159 0.000 0.778 268 A N -0.789 122.084 122.820 0.089 0.000 2.209 268 A HA -0.096 4.226 4.320 0.002 0.000 0.212 268 A C 1.373 178.958 177.584 0.002 0.000 1.158 268 A CA 1.244 53.303 52.037 0.037 0.000 0.742 268 A CB -0.704 18.312 19.000 0.027 0.000 0.790 268 A HN 0.067 nan 8.150 nan 0.000 0.472 269 D N -0.732 119.677 120.400 0.015 0.000 2.398 269 D HA 0.055 4.697 4.640 0.002 0.000 0.210 269 D C 1.928 178.215 176.300 -0.023 0.000 1.094 269 D CA 0.859 54.833 54.000 -0.043 0.000 0.839 269 D CB 0.309 41.082 40.800 -0.044 0.000 0.963 269 D HN 0.364 nan 8.370 nan 0.000 0.506 270 V N -0.967 118.956 119.914 0.016 0.000 2.720 270 V HA -0.140 3.981 4.120 0.002 0.000 0.256 270 V C 1.498 177.582 176.094 -0.016 0.000 1.082 270 V CA 1.428 63.734 62.300 0.010 0.000 1.101 270 V CB -0.560 31.223 31.823 -0.066 0.000 0.693 270 V HN -0.002 nan 8.190 nan 0.000 0.479 271 E N 0.626 120.779 120.200 -0.077 0.000 2.489 271 E HA 0.029 4.380 4.350 0.002 0.000 0.193 271 E C 1.138 177.638 176.600 -0.168 0.000 1.057 271 E CA 0.307 56.646 56.400 -0.102 0.000 0.866 271 E CB -0.120 29.523 29.700 -0.095 0.000 0.916 271 E HN 0.599 nan 8.360 nan 0.000 0.500 272 N N -0.054 118.463 118.700 -0.306 0.000 2.461 272 N HA 0.040 4.781 4.740 0.002 0.000 0.188 272 N C -0.566 174.494 175.510 -0.751 0.000 1.134 272 N CA 0.534 53.250 53.050 -0.557 0.000 0.878 272 N CB 0.222 38.259 38.487 -0.750 0.000 0.972 272 N HN 0.026 nan 8.380 nan 0.000 0.456 273 F N -0.322 119.430 119.950 -0.331 0.000 2.594 273 F HA 0.224 4.753 4.527 0.002 0.000 0.335 273 F C 1.188 176.825 175.800 -0.272 0.000 1.058 273 F CA -1.335 56.414 58.000 -0.418 0.000 0.981 273 F CB 0.797 39.167 39.000 -1.051 0.000 1.289 273 F HN -0.142 nan 8.300 nan 0.000 0.490 274 D N -0.212 120.251 120.400 0.105 0.000 2.328 274 D HA 0.039 4.680 4.640 0.002 0.000 0.226 274 D C -0.419 176.019 176.300 0.230 0.000 1.066 274 D CA 0.263 54.355 54.000 0.154 0.000 0.861 274 D CB -0.766 40.154 40.800 0.200 0.000 0.912 274 D HN 0.263 nan 8.370 nan 0.000 0.521 275 F N -1.834 118.187 119.950 0.118 0.000 2.613 275 F HA 0.479 5.007 4.527 0.002 0.000 0.314 275 F C -0.597 175.225 175.800 0.037 0.000 1.075 275 F CA -1.723 56.308 58.000 0.053 0.000 0.945 275 F CB 1.029 40.037 39.000 0.014 0.000 1.310 275 F HN -0.354 nan 8.300 nan 0.000 0.467 276 D N 3.725 124.213 120.400 0.146 0.000 2.338 276 D HA 0.223 4.864 4.640 0.002 0.000 0.255 276 D C -1.653 174.750 176.300 0.171 0.000 1.237 276 D CA -2.111 51.922 54.000 0.055 0.000 0.883 276 D CB 1.524 42.357 40.800 0.056 0.000 1.087 276 D HN 0.296 nan 8.370 nan 0.000 0.485 277 P HA -0.100 nan 4.420 nan 0.000 0.228 277 P C 1.115 178.567 177.300 0.253 0.000 1.151 277 P CA 0.362 63.573 63.100 0.184 0.000 0.770 277 P CB 0.414 31.978 31.700 -0.227 0.000 0.786 278 L N -0.878 120.376 121.223 0.052 0.000 2.607 278 L HA 0.178 4.520 4.340 0.002 0.000 0.228 278 L C 0.658 177.544 176.870 0.026 0.000 1.123 278 L CA 0.321 55.154 54.840 -0.012 0.000 0.890 278 L CB -0.893 41.119 42.059 -0.078 0.000 1.103 278 L HN -0.136 nan 8.230 nan 0.000 0.468 279 D N -0.049 120.395 120.400 0.073 0.000 2.339 279 D HA 0.168 4.810 4.640 0.002 0.000 0.256 279 D C 1.179 177.499 176.300 0.033 0.000 1.214 279 D CA 0.285 54.323 54.000 0.063 0.000 0.877 279 D CB 1.587 42.441 40.800 0.089 0.000 1.111 279 D HN 0.131 nan 8.370 nan 0.000 0.478 280 A N 3.024 125.868 122.820 0.041 0.000 2.216 280 A HA -0.087 4.235 4.320 0.002 0.000 0.214 280 A C 1.789 179.369 177.584 -0.006 0.000 1.160 280 A CA 1.415 53.459 52.037 0.012 0.000 0.725 280 A CB -0.560 18.499 19.000 0.097 0.000 0.784 280 A HN 0.651 nan 8.150 nan 0.000 0.472 281 T N -3.066 111.490 114.554 0.003 0.000 3.129 281 T HA 0.158 4.510 4.350 0.002 0.000 0.251 281 T C 0.524 175.160 174.700 -0.107 0.000 1.117 281 T CA 0.037 62.116 62.100 -0.034 0.000 1.034 281 T CB -0.011 68.849 68.868 -0.013 0.000 0.968 281 T HN 0.109 nan 8.240 nan 0.000 0.526 282 K N 2.281 122.592 120.400 -0.147 0.000 2.206 282 K HA 0.485 4.806 4.320 0.002 0.000 0.264 282 K C -0.911 175.466 176.600 -0.373 0.000 0.967 282 K CA -0.632 55.467 56.287 -0.313 0.000 0.844 282 K CB 1.834 34.129 32.500 -0.342 0.000 1.099 282 K HN 0.159 nan 8.250 nan 0.000 0.441 283 D N 0.865 120.960 120.400 -0.509 0.000 2.294 283 D HA 0.283 4.924 4.640 0.002 0.000 0.250 283 D C -0.822 175.184 176.300 -0.489 0.000 1.058 283 D CA -0.295 53.420 54.000 -0.474 0.000 0.950 283 D CB 0.655 41.192 40.800 -0.438 0.000 1.158 283 D HN 0.204 nan 8.370 nan 0.000 0.453 284 W N 3.311 124.321 121.300 -0.482 0.000 2.322 284 W HA 0.352 5.013 4.660 0.002 0.000 0.321 284 W C -0.458 175.987 176.519 -0.123 0.000 0.991 284 W CA -1.185 55.971 57.345 -0.315 0.000 1.448 284 W CB -0.632 28.748 29.460 -0.133 0.000 1.239 284 W HN 0.201 nan 8.180 nan 0.000 0.399 285 F N 1.621 121.706 119.950 0.227 0.000 2.563 285 F HA -0.069 4.459 4.527 0.002 0.000 0.363 285 F C 1.963 177.868 175.800 0.175 0.000 1.123 285 F CA 0.231 58.331 58.000 0.166 0.000 1.307 285 F CB 0.809 39.871 39.000 0.104 0.000 1.115 285 F HN 0.412 nan 8.300 nan 0.000 0.592 286 E N 1.835 122.202 120.200 0.277 0.000 2.160 286 E HA -0.265 4.086 4.350 0.002 0.000 0.195 286 E C 1.636 178.253 176.600 0.029 0.000 0.991 286 E CA 1.698 58.090 56.400 -0.014 0.000 0.810 286 E CB -0.082 29.240 29.700 -0.630 0.000 0.742 286 E HN 0.791 nan 8.360 nan 0.000 0.466 287 D N 0.285 120.729 120.400 0.072 0.000 2.317 287 D HA -0.124 4.517 4.640 0.002 0.000 0.211 287 D C 1.988 178.369 176.300 0.134 0.000 0.966 287 D CA 1.081 55.119 54.000 0.064 0.000 0.876 287 D CB 0.150 40.964 40.800 0.023 0.000 0.927 287 D HN 0.324 nan 8.370 nan 0.000 0.519 288 V N -0.766 119.283 119.914 0.225 0.000 2.575 288 V HA 0.237 4.358 4.120 0.002 0.000 0.242 288 V C 0.933 177.145 176.094 0.196 0.000 1.045 288 V CA 0.251 62.694 62.300 0.238 0.000 1.065 288 V CB -0.107 31.922 31.823 0.343 0.000 0.717 288 V HN 0.004 nan 8.190 nan 0.000 0.467 289 I N 2.644 123.338 120.570 0.207 0.000 2.410 289 I HA 0.483 4.654 4.170 0.002 0.000 0.286 289 I C -2.651 173.624 176.117 0.264 0.000 1.009 289 I CA -2.280 59.134 61.300 0.190 0.000 1.111 289 I CB 2.145 40.219 38.000 0.124 0.000 1.262 289 I HN 0.164 nan 8.210 nan 0.000 0.443 290 P HA 0.090 nan 4.420 nan 0.000 0.271 290 P C -0.736 176.811 177.300 0.411 0.000 1.218 290 P CA -0.099 63.141 63.100 0.234 0.000 0.780 290 P CB 0.321 32.124 31.700 0.171 0.000 0.901 291 F N 1.328 121.335 119.950 0.095 0.000 2.427 291 F HA 0.242 4.770 4.527 0.002 0.000 0.352 291 F C 1.147 177.135 175.800 0.314 0.000 1.100 291 F CA -0.007 58.077 58.000 0.140 0.000 1.191 291 F CB 0.069 39.005 39.000 -0.107 0.000 1.128 291 F HN 0.215 nan 8.300 nan 0.000 0.533 292 Q N 2.341 122.452 119.800 0.519 0.000 2.333 292 Q HA 0.178 4.519 4.340 0.002 0.000 0.268 292 Q C -0.316 175.906 176.000 0.370 0.000 1.007 292 Q CA -0.669 55.403 55.803 0.448 0.000 0.810 292 Q CB 2.095 31.011 28.738 0.297 0.000 1.264 292 Q HN 0.573 nan 8.270 nan 0.000 0.452 293 H N 2.417 121.578 119.070 0.153 0.000 3.034 293 H HA -0.006 4.552 4.556 0.002 0.000 0.324 293 H C 0.034 175.251 175.328 -0.185 0.000 1.015 293 H CA 0.493 56.297 56.048 -0.407 0.000 1.429 293 H CB 0.871 30.451 29.762 -0.303 0.000 1.429 293 H HN 0.487 nan 8.280 nan 0.000 0.585 294 V N 4.075 123.582 119.914 -0.678 0.000 2.854 294 V HA 0.288 4.409 4.120 0.002 0.000 0.236 294 V C 1.213 177.070 176.094 -0.394 0.000 1.157 294 V CA 0.941 63.050 62.300 -0.318 0.000 1.187 294 V CB 0.614 32.391 31.823 -0.078 0.000 0.949 294 V HN 0.977 nan 8.190 nan 0.000 0.488 295 G N -0.381 108.071 108.800 -0.581 0.000 2.428 295 G HA2 0.497 4.458 3.960 0.002 0.000 0.305 295 G HA3 0.497 4.458 3.960 0.002 0.000 0.305 295 G C -1.048 173.653 174.900 -0.331 0.000 1.260 295 G CA 0.379 45.175 45.100 -0.506 0.000 0.853 295 G HN 0.335 nan 8.290 nan 0.000 0.480 296 T N -1.883 112.455 114.554 -0.360 0.000 2.893 296 T HA 0.667 5.018 4.350 0.002 0.000 0.293 296 T C -0.415 174.336 174.700 0.085 0.000 1.027 296 T CA -0.422 61.706 62.100 0.046 0.000 0.988 296 T CB 1.723 70.678 68.868 0.145 0.000 1.043 296 T HN 0.892 nan 8.240 nan 0.000 0.461 297 M N 3.158 123.077 119.600 0.531 0.000 2.238 297 M HA 0.544 5.025 4.480 0.002 0.000 0.350 297 M C -1.161 175.358 176.300 0.364 0.000 1.138 297 M CA -0.153 55.445 55.300 0.497 0.000 1.040 297 M CB 1.406 34.336 32.600 0.550 0.000 1.639 297 M HN 0.773 nan 8.290 nan 0.000 0.451 298 T N 5.531 120.216 114.554 0.219 0.000 2.812 298 T HA 0.516 4.867 4.350 0.002 0.000 0.282 298 T C -1.042 173.710 174.700 0.085 0.000 0.990 298 T CA -0.564 61.638 62.100 0.169 0.000 0.960 298 T CB 1.127 70.052 68.868 0.096 0.000 0.948 298 T HN 0.436 nan 8.240 nan 0.000 0.438 299 L N 5.053 126.354 121.223 0.130 0.000 2.264 299 L HA 0.428 4.769 4.340 0.002 0.000 0.287 299 L C 0.866 177.645 176.870 -0.153 0.000 1.039 299 L CA -0.399 54.466 54.840 0.042 0.000 0.829 299 L CB 0.537 42.711 42.059 0.192 0.000 1.211 299 L HN 0.707 nan 8.230 nan 0.000 0.427 300 N N 1.561 120.012 118.700 -0.416 0.000 2.159 300 N HA 0.099 4.840 4.740 0.002 0.000 0.217 300 N C -0.071 175.145 175.510 -0.490 0.000 1.223 300 N CA -0.230 52.179 53.050 -1.068 0.000 0.896 300 N CB 0.559 38.196 38.487 -1.418 0.000 1.064 300 N HN 0.394 nan 8.380 nan 0.000 0.518 301 K N 0.493 120.789 120.400 -0.173 0.000 2.615 301 K HA 0.279 4.601 4.320 0.002 0.000 0.249 301 K C -1.167 175.450 176.600 0.028 0.000 0.977 301 K CA -0.561 55.694 56.287 -0.053 0.000 0.833 301 K CB 1.081 33.551 32.500 -0.050 0.000 1.208 301 K HN -0.099 nan 8.250 nan 0.000 0.443 302 N N 1.462 120.141 118.700 -0.035 0.000 2.371 302 N HA 0.030 4.771 4.740 0.002 0.000 0.243 302 N C 0.160 175.747 175.510 0.128 0.000 1.287 302 N CA -0.059 52.959 53.050 -0.053 0.000 0.911 302 N CB 0.831 39.074 38.487 -0.407 0.000 1.142 302 N HN 0.446 nan 8.380 nan 0.000 0.451 303 V N -0.859 119.164 119.914 0.182 0.000 2.999 303 V HA 0.054 4.175 4.120 0.002 0.000 0.307 303 V C 0.864 177.082 176.094 0.207 0.000 1.084 303 V CA -0.031 62.415 62.300 0.244 0.000 1.155 303 V CB 0.632 32.563 31.823 0.181 0.000 0.975 303 V HN 0.483 nan 8.190 nan 0.000 0.490 304 D N 1.321 121.810 120.400 0.148 0.000 2.162 304 D HA 0.011 4.652 4.640 0.002 0.000 0.203 304 D C 0.657 177.044 176.300 0.145 0.000 0.967 304 D CA 1.398 55.471 54.000 0.122 0.000 0.840 304 D CB 0.044 40.878 40.800 0.057 0.000 0.972 304 D HN 0.783 nan 8.370 nan 0.000 0.482 305 N N -0.667 118.116 118.700 0.138 0.000 2.519 305 N HA -0.041 4.700 4.740 0.002 0.000 0.291 305 N C -0.153 175.466 175.510 0.181 0.000 1.107 305 N CA -0.320 52.830 53.050 0.166 0.000 0.904 305 N CB 1.296 39.861 38.487 0.130 0.000 1.500 305 N HN -0.155 nan 8.380 nan 0.000 0.510 306 Y N 4.103 124.482 120.300 0.132 0.000 2.128 306 Y HA -0.227 4.324 4.550 0.002 0.000 0.284 306 Y C 1.818 177.780 175.900 0.102 0.000 1.154 306 Y CA 1.874 60.046 58.100 0.119 0.000 1.149 306 Y CB -0.090 38.457 38.460 0.145 0.000 0.976 306 Y HN 0.686 nan 8.280 nan 0.000 0.505 307 F N 0.250 120.351 119.950 0.252 0.000 2.102 307 F HA -0.209 4.320 4.527 0.002 0.000 0.298 307 F C 2.283 178.081 175.800 -0.002 0.000 1.105 307 F CA 1.802 59.889 58.000 0.145 0.000 1.239 307 F CB -0.548 38.525 39.000 0.121 0.000 0.991 307 F HN 0.056 nan 8.300 nan 0.000 0.474 308 A N -0.947 121.869 122.820 -0.007 0.000 2.119 308 A HA 0.004 4.325 4.320 0.002 0.000 0.216 308 A C 1.810 179.225 177.584 -0.282 0.000 1.152 308 A CA 1.359 53.303 52.037 -0.155 0.000 0.708 308 A CB -0.401 18.590 19.000 -0.015 0.000 0.805 308 A HN 0.577 nan 8.150 nan 0.000 0.460 309 E N -1.541 118.484 120.200 -0.292 0.000 2.357 309 E HA 0.010 4.361 4.350 0.002 0.000 0.190 309 E C 1.866 178.187 176.600 -0.465 0.000 1.022 309 E CA 0.724 56.845 56.400 -0.464 0.000 1.068 309 E CB -0.145 29.321 29.700 -0.389 0.000 1.465 309 E HN 0.348 nan 8.360 nan 0.000 0.503 310 T N 1.433 115.771 114.554 -0.360 0.000 2.720 310 T HA -0.179 4.173 4.350 0.002 0.000 0.268 310 T C 1.796 176.244 174.700 -0.420 0.000 1.037 310 T CA 1.757 63.621 62.100 -0.392 0.000 1.144 310 T CB -0.158 68.126 68.868 -0.973 0.000 0.864 310 T HN 0.030 nan 8.240 nan 0.000 0.444 311 E N 1.093 121.008 120.200 -0.475 0.000 2.107 311 E HA 0.019 4.370 4.350 0.002 0.000 0.191 311 E C 2.164 178.550 176.600 -0.356 0.000 0.982 311 E CA 0.900 57.116 56.400 -0.307 0.000 0.809 311 E CB -0.266 29.321 29.700 -0.190 0.000 0.756 311 E HN 0.323 nan 8.360 nan 0.000 0.459 312 S N -0.674 114.749 115.700 -0.462 0.000 2.548 312 S HA 0.126 4.597 4.470 0.002 0.000 0.215 312 S C 0.427 174.840 174.600 -0.311 0.000 0.976 312 S CA -0.082 57.871 58.200 -0.411 0.000 0.908 312 S CB 0.457 63.376 63.200 -0.470 0.000 0.781 312 S HN 0.180 nan 8.310 nan 0.000 0.519 313 V N 2.385 122.098 119.914 -0.336 0.000 2.763 313 V HA 0.513 4.634 4.120 0.002 0.000 0.306 313 V C 0.418 176.293 176.094 -0.366 0.000 1.059 313 V CA 0.251 62.312 62.300 -0.398 0.000 1.138 313 V CB 0.694 32.237 31.823 -0.467 0.000 0.940 313 V HN 0.313 nan 8.190 nan 0.000 0.489 314 G N 5.641 114.214 108.800 -0.378 0.000 2.530 314 G HA2 0.676 4.637 3.960 0.002 0.000 0.316 314 G HA3 0.676 4.637 3.960 0.002 0.000 0.316 314 G C -1.372 173.307 174.900 -0.369 0.000 1.298 314 G CA -0.550 44.389 45.100 -0.269 0.000 0.948 314 G HN 0.581 nan 8.290 nan 0.000 0.486 315 F N 0.997 120.928 119.950 -0.033 0.000 2.538 315 F HA 0.600 5.128 4.527 0.002 0.000 0.325 315 F C 0.184 175.923 175.800 -0.103 0.000 1.066 315 F CA -1.169 56.778 58.000 -0.089 0.000 0.946 315 F CB 2.711 41.608 39.000 -0.171 0.000 1.199 315 F HN 0.360 nan 8.300 nan 0.000 0.473 316 N N 2.052 120.748 118.700 -0.006 0.000 2.478 316 N HA 0.322 5.063 4.740 0.002 0.000 0.291 316 N C -2.351 173.006 175.510 -0.254 0.000 1.090 316 N CA -2.359 50.549 53.050 -0.237 0.000 0.911 316 N CB 2.625 41.099 38.487 -0.023 0.000 1.546 316 N HN 0.094 nan 8.380 nan 0.000 0.500 317 P HA 0.022 nan 4.420 nan 0.000 0.225 317 P C 0.883 178.247 177.300 0.107 0.000 1.148 317 P CA 0.811 63.817 63.100 -0.157 0.000 0.779 317 P CB 0.186 31.808 31.700 -0.131 0.000 0.780 318 G N -0.310 108.514 108.800 0.041 0.000 3.141 318 G HA2 0.098 4.060 3.960 0.002 0.000 0.218 318 G HA3 0.098 4.060 3.960 0.002 0.000 0.218 318 G C 0.317 175.286 174.900 0.116 0.000 1.170 318 G CA -0.035 45.133 45.100 0.114 0.000 0.769 318 G HN 0.148 nan 8.290 nan 0.000 0.546 319 V N 2.214 122.189 119.914 0.103 0.000 2.338 319 V HA 0.377 4.498 4.120 0.002 0.000 0.255 319 V C -0.054 176.178 176.094 0.230 0.000 1.082 319 V CA 0.049 62.420 62.300 0.119 0.000 0.951 319 V CB 0.210 32.076 31.823 0.072 0.000 1.102 319 V HN 0.144 nan 8.190 nan 0.000 0.489 320 L N 5.091 126.431 121.223 0.194 0.000 2.323 320 L HA 0.730 5.072 4.340 0.002 0.000 0.265 320 L C -0.103 176.803 176.870 0.059 0.000 1.012 320 L CA -1.093 53.851 54.840 0.174 0.000 0.820 320 L CB 2.302 44.427 42.059 0.109 0.000 1.334 320 L HN 0.422 nan 8.230 nan 0.000 0.427 321 V N -1.249 118.630 119.914 -0.058 0.000 2.973 321 V HA 0.563 4.685 4.120 0.002 0.000 0.314 321 V C -2.472 173.580 176.094 -0.069 0.000 1.066 321 V CA -2.499 59.776 62.300 -0.042 0.000 1.021 321 V CB 0.589 32.399 31.823 -0.021 0.000 1.076 321 V HN 0.525 nan 8.190 nan 0.000 0.462 322 P HA 0.317 nan 4.420 nan 0.000 0.264 322 P C 0.896 178.140 177.300 -0.094 0.000 1.183 322 P CA 1.790 64.901 63.100 0.018 0.000 0.763 322 P CB 0.620 32.428 31.700 0.180 0.000 0.807 323 G N 1.463 110.192 108.800 -0.119 0.000 2.201 323 G HA2 -0.189 3.772 3.960 0.002 0.000 0.212 323 G HA3 -0.189 3.772 3.960 0.002 0.000 0.212 323 G C -0.084 174.664 174.900 -0.253 0.000 0.994 323 G CA -0.313 44.658 45.100 -0.215 0.000 0.644 323 G HN 0.472 nan 8.290 nan 0.000 0.508 324 M N 0.320 119.813 119.600 -0.177 0.000 2.393 324 M HA 0.768 5.250 4.480 0.002 0.000 0.299 324 M C -0.693 175.639 176.300 0.053 0.000 1.103 324 M CA -0.550 54.704 55.300 -0.076 0.000 0.910 324 M CB 2.643 35.086 32.600 -0.261 0.000 1.659 324 M HN 0.062 nan 8.290 nan 0.000 0.445 325 L N 2.943 124.264 121.223 0.162 0.000 2.424 325 L HA 0.685 5.026 4.340 0.002 0.000 0.258 325 L C -2.455 174.549 176.870 0.223 0.000 0.995 325 L CA -1.881 53.048 54.840 0.149 0.000 0.821 325 L CB 3.173 45.282 42.059 0.083 0.000 1.383 325 L HN 0.392 nan 8.230 nan 0.000 0.410 326 P HA 0.125 nan 4.420 nan 0.000 0.277 326 P C -0.757 176.528 177.300 -0.024 0.000 1.240 326 P CA -0.340 62.779 63.100 0.032 0.000 0.798 326 P CB 1.307 32.991 31.700 -0.026 0.000 0.979 327 S N 0.682 116.297 115.700 -0.141 0.000 2.632 327 S HA 0.112 4.584 4.470 0.002 0.000 0.267 327 S C 1.135 175.714 174.600 -0.035 0.000 1.276 327 S CA -0.499 57.715 58.200 0.022 0.000 0.998 327 S CB 0.374 63.606 63.200 0.053 0.000 0.953 327 S HN 0.524 nan 8.310 nan 0.000 0.547 328 E N 0.223 120.457 120.200 0.057 0.000 2.516 328 E HA -0.081 4.271 4.350 0.002 0.000 0.199 328 E C -0.054 176.523 176.600 -0.038 0.000 1.069 328 E CA -0.008 56.400 56.400 0.015 0.000 0.876 328 E CB -0.870 28.871 29.700 0.068 0.000 0.843 328 E HN 0.734 nan 8.360 nan 0.000 0.530 329 D N 2.455 122.802 120.400 -0.088 0.000 2.793 329 D HA -0.133 4.508 4.640 0.002 0.000 0.230 329 D C 0.576 176.799 176.300 -0.128 0.000 1.139 329 D CA 0.400 54.330 54.000 -0.117 0.000 0.838 329 D CB 0.686 41.368 40.800 -0.196 0.000 1.149 329 D HN 0.105 nan 8.370 nan 0.000 0.526 330 K N 3.303 123.669 120.400 -0.057 0.000 2.283 330 K HA -0.146 4.175 4.320 0.002 0.000 0.202 330 K C 1.719 178.292 176.600 -0.045 0.000 1.048 330 K CA 0.253 56.518 56.287 -0.036 0.000 0.948 330 K CB 0.228 32.731 32.500 0.006 0.000 0.742 330 K HN 0.335 nan 8.250 nan 0.000 0.458 331 L N 1.195 122.392 121.223 -0.044 0.000 2.023 331 L HA -0.109 4.232 4.340 0.002 0.000 0.205 331 L C 2.102 178.837 176.870 -0.224 0.000 1.073 331 L CA 1.172 55.990 54.840 -0.037 0.000 0.745 331 L CB -0.481 41.642 42.059 0.107 0.000 0.900 331 L HN 0.064 nan 8.230 nan 0.000 0.435 332 L N -0.654 120.246 121.223 -0.538 0.000 2.079 332 L HA -0.234 4.107 4.340 0.002 0.000 0.210 332 L C 2.446 179.097 176.870 -0.366 0.000 1.081 332 L CA 1.740 56.095 54.840 -0.808 0.000 0.752 332 L CB -0.855 40.507 42.059 -1.162 0.000 0.896 332 L HN 0.381 nan 8.230 nan 0.000 0.433 333 Q N -0.149 119.509 119.800 -0.236 0.000 2.061 333 Q HA -0.162 4.179 4.340 0.002 0.000 0.204 333 Q C 2.137 178.114 176.000 -0.038 0.000 0.984 333 Q CA 1.804 57.538 55.803 -0.114 0.000 0.846 333 Q CB -0.861 27.831 28.738 -0.076 0.000 0.902 333 Q HN 0.696 nan 8.270 nan 0.000 0.421 334 G N 0.692 109.476 108.800 -0.027 0.000 2.422 334 G HA2 -0.233 3.728 3.960 0.002 0.000 0.218 334 G HA3 -0.233 3.728 3.960 0.002 0.000 0.218 334 G C 1.521 176.462 174.900 0.068 0.000 1.140 334 G CA 0.345 45.474 45.100 0.048 0.000 0.775 334 G HN 0.274 nan 8.290 nan 0.000 0.545 335 R N 0.009 120.503 120.500 -0.010 0.000 2.096 335 R HA 0.045 4.386 4.340 0.002 0.000 0.235 335 R C 2.533 178.911 176.300 0.131 0.000 1.127 335 R CA 0.829 56.989 56.100 0.101 0.000 0.968 335 R CB -0.515 29.811 30.300 0.042 0.000 0.861 335 R HN 0.343 nan 8.270 nan 0.000 0.440 336 L N -0.209 121.038 121.223 0.040 0.000 2.043 336 L HA -0.240 4.101 4.340 0.002 0.000 0.212 336 L C 2.392 179.350 176.870 0.147 0.000 1.075 336 L CA 1.436 56.315 54.840 0.065 0.000 0.752 336 L CB -0.618 41.469 42.059 0.047 0.000 0.891 336 L HN 0.153 nan 8.230 nan 0.000 0.432 337 F N 0.265 120.236 119.950 0.034 0.000 2.098 337 F HA -0.158 4.370 4.527 0.002 0.000 0.294 337 F C 2.823 178.656 175.800 0.055 0.000 1.107 337 F CA 1.575 59.597 58.000 0.037 0.000 1.234 337 F CB -0.561 38.446 39.000 0.012 0.000 1.002 337 F HN -0.048 nan 8.300 nan 0.000 0.472 338 S N -0.588 114.958 115.700 -0.256 0.000 2.359 338 S HA -0.243 4.228 4.470 0.002 0.000 0.224 338 S C 2.122 176.492 174.600 -0.385 0.000 1.035 338 S CA 1.714 59.635 58.200 -0.465 0.000 1.018 338 S CB -0.851 62.209 63.200 -0.233 0.000 0.876 338 S HN 0.534 nan 8.310 nan 0.000 0.448 339 Y N 1.651 121.795 120.300 -0.259 0.000 2.097 339 Y HA -0.127 4.424 4.550 0.002 0.000 0.282 339 Y C 3.142 178.902 175.900 -0.234 0.000 1.152 339 Y CA 1.711 59.692 58.100 -0.199 0.000 1.136 339 Y CB -0.647 37.739 38.460 -0.124 0.000 0.975 339 Y HN 0.248 nan 8.280 nan 0.000 0.498 340 S N -0.606 115.076 115.700 -0.031 0.000 2.423 340 S HA -0.190 4.281 4.470 0.002 0.000 0.231 340 S C 1.536 176.026 174.600 -0.183 0.000 1.014 340 S CA 1.349 59.514 58.200 -0.059 0.000 0.965 340 S CB -0.382 62.874 63.200 0.093 0.000 0.785 340 S HN 0.503 nan 8.310 nan 0.000 0.495 341 D N 1.131 121.328 120.400 -0.338 0.000 2.084 341 D HA -0.107 4.534 4.640 0.002 0.000 0.196 341 D C 2.122 178.267 176.300 -0.259 0.000 0.985 341 D CA 1.665 55.422 54.000 -0.406 0.000 0.826 341 D CB -0.481 39.715 40.800 -1.006 0.000 0.978 341 D HN 0.229 nan 8.370 nan 0.000 0.456 342 T N -1.009 113.378 114.554 -0.277 0.000 2.788 342 T HA -0.154 4.198 4.350 0.002 0.000 0.268 342 T C 1.892 176.504 174.700 -0.146 0.000 1.044 342 T CA 1.566 63.573 62.100 -0.154 0.000 1.139 342 T CB -0.198 68.565 68.868 -0.174 0.000 0.867 342 T HN 0.196 nan 8.240 nan 0.000 0.454 343 Q N 0.043 119.652 119.800 -0.317 0.000 2.124 343 Q HA -0.020 4.321 4.340 0.002 0.000 0.202 343 Q C 2.552 178.261 176.000 -0.485 0.000 0.977 343 Q CA 1.315 56.795 55.803 -0.538 0.000 0.850 343 Q CB -0.109 28.021 28.738 -1.013 0.000 0.901 343 Q HN 0.439 nan 8.270 nan 0.000 0.429 344 R N -0.636 119.679 120.500 -0.308 0.000 2.139 344 R HA -0.225 4.116 4.340 0.002 0.000 0.243 344 R C 2.112 178.416 176.300 0.007 0.000 1.145 344 R CA 1.833 57.909 56.100 -0.040 0.000 0.976 344 R CB -0.275 30.055 30.300 0.050 0.000 0.866 344 R HN 0.453 nan 8.270 nan 0.000 0.449 345 H N -0.058 118.951 119.070 -0.100 0.000 2.344 345 H HA 0.062 4.619 4.556 0.002 0.000 0.307 345 H C 2.153 177.440 175.328 -0.068 0.000 1.057 345 H CA 1.317 57.327 56.048 -0.063 0.000 1.373 345 H CB 0.043 29.769 29.762 -0.061 0.000 1.421 345 H HN -0.040 nan 8.280 nan 0.000 0.532 346 R N -0.033 120.238 120.500 -0.382 0.000 2.092 346 R HA -0.010 4.331 4.340 0.002 0.000 0.231 346 R C 1.519 177.668 176.300 -0.252 0.000 1.119 346 R CA 2.032 57.895 56.100 -0.396 0.000 0.970 346 R CB -0.004 30.172 30.300 -0.207 0.000 0.864 346 R HN 0.506 nan 8.270 nan 0.000 0.440 347 I N -1.357 119.088 120.570 -0.207 0.000 3.194 347 I HA 0.322 4.493 4.170 0.002 0.000 0.271 347 I C 0.703 176.797 176.117 -0.038 0.000 1.150 347 I CA 0.452 61.675 61.300 -0.128 0.000 1.440 347 I CB 0.879 38.799 38.000 -0.133 0.000 1.276 347 I HN 0.332 nan 8.210 nan 0.000 0.457 348 G N 0.330 109.127 108.800 -0.005 0.000 2.312 348 G HA2 0.048 4.009 3.960 0.002 0.000 0.347 348 G HA3 0.048 4.009 3.960 0.002 0.000 0.347 348 G C -2.713 172.279 174.900 0.154 0.000 1.564 348 G CA -0.815 44.322 45.100 0.063 0.000 0.981 348 G HN -0.263 nan 8.290 nan 0.000 0.678 349 P HA -0.083 nan 4.420 nan 0.000 0.217 349 P C 1.057 178.442 177.300 0.142 0.000 1.148 349 P CA 1.119 64.305 63.100 0.144 0.000 0.828 349 P CB 0.199 31.952 31.700 0.089 0.000 0.783 350 N N -1.269 117.495 118.700 0.107 0.000 2.376 350 N HA 0.035 4.776 4.740 0.002 0.000 0.249 350 N C 1.026 176.544 175.510 0.013 0.000 1.140 350 N CA -0.178 52.895 53.050 0.037 0.000 0.870 350 N CB -0.388 38.130 38.487 0.052 0.000 1.124 350 N HN 0.356 nan 8.380 nan 0.000 0.505 351 Y N 0.321 120.606 120.300 -0.026 0.000 2.207 351 Y HA -0.091 4.460 4.550 0.002 0.000 0.287 351 Y C 1.813 177.668 175.900 -0.076 0.000 1.156 351 Y CA 1.149 59.212 58.100 -0.060 0.000 1.182 351 Y CB -0.255 38.158 38.460 -0.077 0.000 0.979 351 Y HN -0.067 nan 8.280 nan 0.000 0.521 352 Q N 0.993 120.323 119.800 -0.784 0.000 2.508 352 Q HA -0.148 4.193 4.340 0.002 0.000 0.214 352 Q C 1.639 177.485 176.000 -0.257 0.000 0.979 352 Q CA 1.287 56.753 55.803 -0.561 0.000 0.911 352 Q CB -0.229 28.150 28.738 -0.599 0.000 0.969 352 Q HN 0.781 nan 8.270 nan 0.000 0.504 353 Q N -0.690 119.006 119.800 -0.173 0.000 2.398 353 Q HA 0.134 4.476 4.340 0.002 0.000 0.204 353 Q C 0.163 176.094 176.000 -0.115 0.000 0.932 353 Q CA -0.114 55.627 55.803 -0.104 0.000 0.916 353 Q CB 0.449 29.169 28.738 -0.031 0.000 1.024 353 Q HN 0.293 nan 8.270 nan 0.000 0.504 354 L N 2.037 123.186 121.223 -0.123 0.000 2.453 354 L HA 0.026 4.368 4.340 0.002 0.000 0.272 354 L C -1.504 175.269 176.870 -0.163 0.000 1.182 354 L CA -1.398 53.349 54.840 -0.155 0.000 0.858 354 L CB 0.157 42.133 42.059 -0.139 0.000 1.120 354 L HN -0.101 nan 8.230 nan 0.000 0.474 355 P HA -0.264 nan 4.420 nan 0.000 0.218 355 P C 1.546 178.737 177.300 -0.183 0.000 1.154 355 P CA 1.365 64.357 63.100 -0.180 0.000 0.872 355 P CB 0.195 31.782 31.700 -0.190 0.000 0.790 356 I N -1.201 119.236 120.570 -0.221 0.000 2.493 356 I HA -0.135 4.037 4.170 0.002 0.000 0.254 356 I C 1.428 177.463 176.117 -0.137 0.000 1.160 356 I CA 1.587 62.725 61.300 -0.271 0.000 1.445 356 I CB -0.464 37.259 38.000 -0.462 0.000 1.086 356 I HN -0.111 nan 8.210 nan 0.000 0.433 357 N N -0.898 117.726 118.700 -0.126 0.000 2.356 357 N HA 0.030 4.771 4.740 0.002 0.000 0.178 357 N C 0.467 175.963 175.510 -0.024 0.000 1.075 357 N CA 0.138 53.132 53.050 -0.093 0.000 0.889 357 N CB -0.367 38.051 38.487 -0.116 0.000 0.999 357 N HN 0.262 nan 8.380 nan 0.000 0.464 358 C N 3.705 122.992 119.300 -0.022 0.000 2.634 358 C HA 0.165 4.626 4.460 0.002 0.000 0.418 358 C C -1.890 173.159 174.990 0.098 0.000 1.373 358 C CA -1.095 57.909 59.018 -0.023 0.000 1.756 358 C CB -0.152 27.542 27.740 -0.077 0.000 2.589 358 C HN 0.239 nan 8.230 nan 0.000 0.602 359 P HA 0.059 nan 4.420 nan 0.000 0.270 359 P C 0.403 177.800 177.300 0.162 0.000 1.223 359 P CA 0.024 63.217 63.100 0.154 0.000 0.785 359 P CB 0.255 31.984 31.700 0.048 0.000 0.923 360 F N 2.380 122.404 119.950 0.122 0.000 2.113 360 F HA 0.042 4.571 4.527 0.002 0.000 0.297 360 F C 1.102 176.905 175.800 0.004 0.000 1.103 360 F CA 1.015 59.035 58.000 0.033 0.000 1.248 360 F CB -0.625 38.413 39.000 0.063 0.000 0.999 360 F HN 0.298 nan 8.300 nan 0.000 0.475 361 A N 0.975 123.843 122.820 0.080 0.000 2.483 361 A HA 0.156 4.477 4.320 0.002 0.000 0.238 361 A C -0.053 177.448 177.584 -0.138 0.000 1.070 361 A CA -0.296 51.713 52.037 -0.047 0.000 0.770 361 A CB -0.116 18.919 19.000 0.058 0.000 1.008 361 A HN 0.523 nan 8.150 nan 0.000 0.497 362 Q N 0.843 120.544 119.800 -0.164 0.000 2.373 362 Q HA 0.415 4.756 4.340 0.002 0.000 0.255 362 Q C -0.877 175.052 176.000 -0.119 0.000 0.980 362 Q CA 0.254 55.965 55.803 -0.153 0.000 0.882 362 Q CB 0.841 29.487 28.738 -0.152 0.000 1.249 362 Q HN 0.466 nan 8.270 nan 0.000 0.438 363 V N 5.429 125.272 119.914 -0.117 0.000 2.370 363 V HA 0.451 4.573 4.120 0.002 0.000 0.279 363 V C -0.601 175.416 176.094 -0.127 0.000 1.029 363 V CA -0.666 61.567 62.300 -0.112 0.000 0.870 363 V CB 1.119 32.880 31.823 -0.104 0.000 0.984 363 V HN 0.816 nan 8.190 nan 0.000 0.451 364 N N 5.109 123.725 118.700 -0.140 0.000 2.549 364 N HA 0.446 5.187 4.740 0.002 0.000 0.281 364 N C -1.052 174.319 175.510 -0.230 0.000 1.084 364 N CA -0.395 52.545 53.050 -0.183 0.000 0.862 364 N CB 2.306 40.693 38.487 -0.167 0.000 1.333 364 N HN 0.929 nan 8.380 nan 0.000 0.523 365 N N -0.261 118.259 118.700 -0.300 0.000 3.449 365 N HA 0.232 4.974 4.740 0.002 0.000 0.312 365 N C -0.958 174.250 175.510 -0.503 0.000 1.582 365 N CA -0.518 52.313 53.050 -0.366 0.000 0.850 365 N CB 0.501 38.922 38.487 -0.110 0.000 1.822 365 N HN 0.137 nan 8.380 nan 0.000 0.577 366 Y N -0.577 119.705 120.300 -0.031 0.000 2.458 366 Y HA 0.359 4.910 4.550 0.002 0.000 0.256 366 Y C 0.283 176.181 175.900 -0.004 0.000 1.159 366 Y CA -0.414 57.673 58.100 -0.022 0.000 1.261 366 Y CB 0.258 38.709 38.460 -0.015 0.000 1.119 366 Y HN 0.227 nan 8.280 nan 0.000 0.524 367 Q N 1.443 121.290 119.800 0.078 0.000 2.392 367 Q HA 0.282 4.623 4.340 0.002 0.000 0.262 367 Q C -0.121 175.895 176.000 0.027 0.000 1.003 367 Q CA 0.154 55.988 55.803 0.051 0.000 0.888 367 Q CB 0.746 29.497 28.738 0.021 0.000 1.260 367 Q HN 0.096 nan 8.270 nan 0.000 0.435 368 R N 1.521 122.041 120.500 0.033 0.000 2.774 368 R HA 0.339 4.680 4.340 0.002 0.000 0.272 368 R C -0.716 175.595 176.300 0.018 0.000 1.000 368 R CA -0.637 55.477 56.100 0.022 0.000 0.906 368 R CB 1.296 31.618 30.300 0.036 0.000 1.227 368 R HN 0.718 nan 8.270 nan 0.000 0.468 369 D N -0.128 120.277 120.400 0.009 0.000 3.507 369 D HA -0.157 4.484 4.640 0.002 0.000 0.195 369 D C 0.239 176.545 176.300 0.010 0.000 1.323 369 D CA 1.994 55.998 54.000 0.006 0.000 1.106 369 D CB -1.116 39.692 40.800 0.012 0.000 0.619 369 D HN 0.920 nan 8.370 nan 0.000 0.732 370 G N -0.829 107.981 108.800 0.016 0.000 2.731 370 G HA2 0.382 4.344 3.960 0.002 0.000 0.686 370 G HA3 0.382 4.344 3.960 0.002 0.000 0.686 370 G C 0.128 175.039 174.900 0.017 0.000 1.395 370 G CA 0.417 45.531 45.100 0.024 0.000 0.870 370 G HN 1.540 nan 8.290 nan 0.000 0.591 371 A N 2.944 125.779 122.820 0.025 0.000 2.540 371 A HA 0.573 4.894 4.320 0.002 0.000 0.239 371 A C 1.452 179.050 177.584 0.024 0.000 1.061 371 A CA 1.405 53.453 52.037 0.019 0.000 0.758 371 A CB -0.155 18.862 19.000 0.030 0.000 0.991 371 A HN 2.162 nan 8.150 nan 0.000 0.502 372 M N 1.722 121.315 119.600 -0.012 0.000 2.632 372 M HA -0.100 4.382 4.480 0.002 0.000 0.184 372 M C -2.251 174.036 176.300 -0.022 0.000 0.976 372 M CA 0.397 55.673 55.300 -0.039 0.000 0.612 372 M CB -2.103 30.554 32.600 0.096 0.000 1.181 372 M HN 0.577 nan 8.290 nan 0.000 0.840 373 P HA 0.177 nan 4.420 nan 0.000 0.218 373 P C 1.002 178.277 177.300 -0.041 0.000 1.793 373 P CA -0.129 62.949 63.100 -0.037 0.000 0.941 373 P CB -0.520 31.150 31.700 -0.050 0.000 1.919 374 F N 1.171 121.109 119.950 -0.020 0.000 2.120 374 F HA -0.164 4.365 4.527 0.003 0.000 0.300 374 F C 1.936 177.714 175.800 -0.037 0.000 1.095 374 F CA 1.407 59.392 58.000 -0.025 0.000 1.249 374 F CB -0.075 38.909 39.000 -0.026 0.000 0.995 374 F HN -0.011 nan 8.300 nan 0.000 0.480 375 K N 0.564 121.060 120.400 0.160 0.000 2.576 375 K HA 0.088 4.409 4.320 0.002 0.000 0.209 375 K C -0.129 176.475 176.600 0.008 0.000 1.049 375 K CA -0.216 56.105 56.287 0.057 0.000 1.140 375 K CB 0.033 32.543 32.500 0.017 0.000 0.871 375 K HN 0.165 nan 8.250 nan 0.000 0.479 376 Q N 2.027 121.830 119.800 0.005 0.000 2.398 376 Q HA -0.136 4.205 4.340 0.002 0.000 0.329 376 Q C -0.623 175.357 176.000 -0.033 0.000 1.079 376 Q CA 0.978 56.770 55.803 -0.019 0.000 1.041 376 Q CB 0.310 29.032 28.738 -0.025 0.000 1.084 376 Q HN 0.133 nan 8.270 nan 0.000 0.386 377 Q N 2.347 122.118 119.800 -0.047 0.000 2.293 377 Q HA 0.083 4.424 4.340 0.002 0.000 0.263 377 Q C 0.873 176.839 176.000 -0.057 0.000 1.002 377 Q CA 0.523 56.286 55.803 -0.067 0.000 0.910 377 Q CB 0.836 29.515 28.738 -0.100 0.000 1.185 377 Q HN 0.887 nan 8.270 nan 0.000 0.401 378 T N -1.828 112.691 114.554 -0.058 0.000 3.067 378 T HA -0.024 4.327 4.350 0.002 0.000 0.261 378 T C 1.114 175.783 174.700 -0.052 0.000 1.110 378 T CA -0.038 62.034 62.100 -0.048 0.000 1.113 378 T CB 0.287 69.129 68.868 -0.043 0.000 0.917 378 T HN 0.381 nan 8.240 nan 0.000 0.499 379 S N 2.131 117.788 115.700 -0.073 0.000 2.563 379 S HA 0.099 4.571 4.470 0.002 0.000 0.294 379 S C 1.585 176.154 174.600 -0.052 0.000 1.279 379 S CA 0.117 58.266 58.200 -0.085 0.000 1.069 379 S CB 0.407 63.535 63.200 -0.120 0.000 0.828 379 S HN 0.631 nan 8.310 nan 0.000 0.497 380 S N 3.716 119.387 115.700 -0.049 0.000 2.522 380 S HA 0.021 4.493 4.470 0.002 0.000 0.227 380 S C 0.491 175.120 174.600 0.048 0.000 0.986 380 S CA 0.063 58.264 58.200 0.002 0.000 0.929 380 S CB -0.286 62.916 63.200 0.003 0.000 0.769 380 S HN 0.547 nan 8.310 nan 0.000 0.529 381 V N 4.717 124.613 119.914 -0.030 0.000 2.302 381 V HA 0.166 4.287 4.120 0.002 0.000 0.244 381 V C 0.594 176.736 176.094 0.079 0.000 1.160 381 V CA -0.087 62.183 62.300 -0.050 0.000 1.127 381 V CB -0.844 30.852 31.823 -0.212 0.000 1.253 381 V HN 0.695 nan 8.190 nan 0.000 0.496 382 N N 3.067 121.884 118.700 0.196 0.000 2.238 382 N HA 0.110 4.851 4.740 0.002 0.000 0.222 382 N C -0.391 175.300 175.510 0.301 0.000 1.133 382 N CA -0.418 52.813 53.050 0.301 0.000 0.854 382 N CB 0.079 38.687 38.487 0.202 0.000 1.041 382 N HN 0.644 nan 8.380 nan 0.000 0.510 383 Y N -2.712 117.595 120.300 0.011 0.000 2.545 383 Y HA 0.808 5.359 4.550 0.002 0.000 0.348 383 Y C -0.705 174.837 175.900 -0.596 0.000 1.002 383 Y CA -1.285 56.682 58.100 -0.222 0.000 1.039 383 Y CB 1.582 39.989 38.460 -0.090 0.000 1.271 383 Y HN -0.148 nan 8.280 nan 0.000 0.467 384 E N 3.290 123.153 120.200 -0.562 0.000 2.308 384 E HA 0.394 4.745 4.350 0.002 0.000 0.275 384 E C -2.805 173.693 176.600 -0.172 0.000 0.890 384 E CA -1.973 54.085 56.400 -0.570 0.000 0.754 384 E CB 2.310 31.493 29.700 -0.862 0.000 1.207 384 E HN 0.810 nan 8.360 nan 0.000 0.426 385 P HA 0.249 nan 4.420 nan 0.000 0.272 385 P C -0.847 176.438 177.300 -0.024 0.000 1.223 385 P CA -0.147 62.914 63.100 -0.066 0.000 0.784 385 P CB 0.727 32.419 31.700 -0.013 0.000 0.923 386 N N -0.696 117.964 118.700 -0.066 0.000 2.972 386 N HA 0.318 5.059 4.740 0.002 0.000 0.262 386 N C 0.444 175.921 175.510 -0.055 0.000 1.478 386 N CA -1.129 51.905 53.050 -0.027 0.000 0.841 386 N CB 1.016 39.339 38.487 -0.273 0.000 1.512 386 N HN 0.348 nan 8.380 nan 0.000 0.548 387 R N -1.490 118.882 120.500 -0.214 0.000 2.297 387 R HA 0.196 4.537 4.340 0.002 0.000 0.197 387 R C -0.534 175.525 176.300 -0.402 0.000 0.943 387 R CA 0.240 56.115 56.100 -0.375 0.000 1.038 387 R CB -0.428 29.562 30.300 -0.517 0.000 0.957 387 R HN 0.502 nan 8.270 nan 0.000 0.484 388 Y N 1.470 121.765 120.300 -0.009 0.000 2.326 388 Y HA 0.246 4.798 4.550 0.002 0.000 0.337 388 Y C 1.179 177.078 175.900 -0.002 0.000 1.023 388 Y CA -0.861 57.236 58.100 -0.005 0.000 1.143 388 Y CB 1.630 40.084 38.460 -0.011 0.000 1.183 388 Y HN -0.091 nan 8.280 nan 0.000 0.485 389 Q N 1.001 120.876 119.800 0.124 0.000 2.378 389 Q HA -0.111 4.230 4.340 0.002 0.000 0.205 389 Q C 0.295 176.339 176.000 0.072 0.000 0.954 389 Q CA 0.938 56.786 55.803 0.074 0.000 0.901 389 Q CB 0.271 29.035 28.738 0.043 0.000 0.981 389 Q HN 0.825 nan 8.270 nan 0.000 0.483 390 D N 0.134 120.587 120.400 0.088 0.000 2.354 390 D HA -0.000 4.641 4.640 0.002 0.000 0.209 390 D C 0.167 176.482 176.300 0.025 0.000 1.015 390 D CA 0.437 54.463 54.000 0.043 0.000 0.867 390 D CB 0.294 41.111 40.800 0.028 0.000 0.933 390 D HN 0.097 nan 8.370 nan 0.000 0.520 391 E N 1.180 121.417 120.200 0.062 0.000 2.345 391 E HA 0.239 4.590 4.350 0.002 0.000 0.259 391 E C -2.242 174.387 176.600 0.049 0.000 1.117 391 E CA -2.107 54.317 56.400 0.040 0.000 0.913 391 E CB -0.107 29.658 29.700 0.110 0.000 1.057 391 E HN -0.041 nan 8.360 nan 0.000 0.432 392 P HA -0.008 nan 4.420 nan 0.000 0.262 392 P C -0.410 176.964 177.300 0.123 0.000 1.182 392 P CA 0.590 63.672 63.100 -0.029 0.000 0.761 392 P CB 0.437 32.000 31.700 -0.229 0.000 0.795 393 K N 2.373 122.818 120.400 0.075 0.000 2.328 393 K HA 0.257 4.579 4.320 0.002 0.000 0.246 393 K C 0.269 176.910 176.600 0.068 0.000 0.955 393 K CA -0.855 55.484 56.287 0.086 0.000 0.817 393 K CB 1.682 34.219 32.500 0.062 0.000 1.208 393 K HN 0.519 nan 8.250 nan 0.000 0.432 394 Q N -0.050 119.793 119.800 0.071 0.000 2.421 394 Q HA 0.218 4.559 4.340 0.002 0.000 0.255 394 Q C -0.858 175.187 176.000 0.074 0.000 1.013 394 Q CA 0.248 56.090 55.803 0.065 0.000 0.895 394 Q CB 0.198 28.971 28.738 0.060 0.000 1.271 394 Q HN 0.370 nan 8.270 nan 0.000 0.460 395 T N 3.411 118.031 114.554 0.110 0.000 3.250 395 T HA 0.230 4.582 4.350 0.002 0.000 0.391 395 T C -2.223 172.584 174.700 0.179 0.000 1.502 395 T CA -1.303 60.898 62.100 0.170 0.000 1.320 395 T CB 1.171 70.208 68.868 0.282 0.000 1.102 395 T HN 0.502 nan 8.240 nan 0.000 0.610 396 P HA -0.219 nan 4.420 nan 0.000 0.218 396 P C 1.663 178.969 177.300 0.010 0.000 1.146 396 P CA 0.974 64.103 63.100 0.048 0.000 0.820 396 P CB 0.182 31.895 31.700 0.021 0.000 0.778 397 E N -1.169 119.007 120.200 -0.040 0.000 2.265 397 E HA -0.218 4.133 4.350 0.002 0.000 0.196 397 E C 0.966 177.406 176.600 -0.265 0.000 0.996 397 E CA 1.139 57.429 56.400 -0.183 0.000 0.832 397 E CB -0.962 28.571 29.700 -0.278 0.000 0.756 397 E HN 0.344 nan 8.360 nan 0.000 0.491 398 Y N 1.830 122.120 120.300 -0.018 0.000 2.490 398 Y HA 0.112 4.663 4.550 0.002 0.000 0.281 398 Y C 0.761 176.653 175.900 -0.014 0.000 1.174 398 Y CA 0.234 58.324 58.100 -0.017 0.000 1.295 398 Y CB 0.441 38.895 38.460 -0.010 0.000 1.062 398 Y HN -0.139 nan 8.280 nan 0.000 0.522 399 T N 1.942 116.548 114.554 0.086 0.000 2.902 399 T HA -0.001 4.350 4.350 0.002 0.000 0.301 399 T C 0.034 174.754 174.700 0.033 0.000 1.012 399 T CA -0.251 61.883 62.100 0.056 0.000 1.151 399 T CB 0.205 69.091 68.868 0.029 0.000 0.946 399 T HN 0.181 nan 8.240 nan 0.000 0.542 400 E N 2.987 123.209 120.200 0.037 0.000 2.351 400 E HA 0.178 4.529 4.350 0.002 0.000 0.266 400 E C 0.148 176.754 176.600 0.009 0.000 1.031 400 E CA -0.313 56.101 56.400 0.024 0.000 0.911 400 E CB 0.086 29.803 29.700 0.030 0.000 0.986 400 E HN 0.652 nan 8.360 nan 0.000 0.446 401 D N 1.195 121.595 120.400 -0.001 0.000 2.400 401 D HA 0.021 4.662 4.640 0.002 0.000 0.238 401 D C -0.045 176.253 176.300 -0.004 0.000 1.157 401 D CA -0.545 53.450 54.000 -0.007 0.000 0.889 401 D CB 0.372 41.165 40.800 -0.012 0.000 1.199 401 D HN 0.381 nan 8.370 nan 0.000 0.436 402 T N -0.317 114.232 114.554 -0.007 0.000 2.903 402 T HA 0.171 4.522 4.350 0.002 0.000 0.314 402 T C -0.018 174.674 174.700 -0.014 0.000 1.078 402 T CA -0.669 61.425 62.100 -0.010 0.000 1.114 402 T CB 0.873 69.733 68.868 -0.013 0.000 0.987 402 T HN 0.419 nan 8.240 nan 0.000 0.548 403 Q N 0.980 120.769 119.800 -0.019 0.000 2.496 403 Q HA 0.542 4.884 4.340 0.002 0.000 0.286 403 Q C -2.522 173.448 176.000 -0.051 0.000 1.103 403 Q CA -1.916 53.873 55.803 -0.023 0.000 0.813 403 Q CB 1.324 30.055 28.738 -0.011 0.000 1.444 403 Q HN 0.628 nan 8.270 nan 0.000 0.443 404 P HA 0.357 nan 4.420 nan 0.000 0.278 404 P C -0.709 176.420 177.300 -0.284 0.000 1.238 404 P CA -0.324 62.647 63.100 -0.215 0.000 0.794 404 P CB 0.620 32.146 31.700 -0.290 0.000 0.955 405 L N 2.431 123.461 121.223 -0.321 0.000 2.331 405 L HA 0.355 4.696 4.340 0.002 0.000 0.275 405 L C 0.821 177.461 176.870 -0.383 0.000 1.022 405 L CA -0.640 54.057 54.840 -0.239 0.000 0.812 405 L CB 1.396 43.400 42.059 -0.092 0.000 1.257 405 L HN 0.570 nan 8.230 nan 0.000 0.435 406 H N -0.337 118.755 119.070 0.037 0.000 3.052 406 H HA 0.300 4.858 4.556 0.002 0.000 0.257 406 H C -0.960 174.385 175.328 0.029 0.000 1.193 406 H CA -0.179 55.890 56.048 0.034 0.000 1.072 406 H CB 1.251 31.036 29.762 0.039 0.000 1.685 406 H HN 0.481 nan 8.280 nan 0.000 0.630 407 D N 0.663 121.129 120.400 0.110 0.000 2.523 407 D HA 0.088 4.730 4.640 0.002 0.000 0.236 407 D C 0.096 176.428 176.300 0.053 0.000 1.094 407 D CA -0.352 53.696 54.000 0.080 0.000 0.942 407 D CB 2.216 43.062 40.800 0.078 0.000 1.447 407 D HN 0.115 nan 8.370 nan 0.000 0.479 408 D N 0.230 120.653 120.400 0.038 0.000 2.395 408 D HA 0.142 4.784 4.640 0.002 0.000 0.213 408 D C 0.610 176.916 176.300 0.010 0.000 1.110 408 D CA -0.041 53.973 54.000 0.024 0.000 0.835 408 D CB -0.179 40.631 40.800 0.017 0.000 0.965 408 D HN 0.463 nan 8.370 nan 0.000 0.505 409 I N -1.984 118.594 120.570 0.013 0.000 2.865 409 I HA 0.690 4.862 4.170 0.002 0.000 0.302 409 I C -1.304 174.830 176.117 0.029 0.000 1.140 409 I CA -1.484 59.799 61.300 -0.030 0.000 1.021 409 I CB 2.124 40.093 38.000 -0.052 0.000 1.233 409 I HN -0.151 nan 8.210 nan 0.000 0.427 410 H N 2.039 121.114 119.070 0.009 0.000 2.569 410 H HA 1.003 5.561 4.556 0.002 0.000 0.357 410 H C -0.252 175.080 175.328 0.007 0.000 1.153 410 H CA -0.341 55.711 56.048 0.008 0.000 1.193 410 H CB 1.939 31.703 29.762 0.004 0.000 1.602 410 H HN 1.157 nan 8.280 nan 0.000 0.523 411 G N 1.003 109.900 108.800 0.161 0.000 2.333 411 G HA2 0.173 4.134 3.960 0.002 0.000 0.288 411 G HA3 0.173 4.134 3.960 0.002 0.000 0.288 411 G C -1.430 173.513 174.900 0.073 0.000 1.286 411 G CA -1.384 43.775 45.100 0.099 0.000 0.865 411 G HN 0.657 nan 8.290 nan 0.000 0.506 412 R N 0.276 120.805 120.500 0.048 0.000 2.248 412 R HA 0.478 4.819 4.340 0.002 0.000 0.337 412 R C -0.813 175.506 176.300 0.032 0.000 1.106 412 R CA -0.035 56.089 56.100 0.038 0.000 0.959 412 R CB 0.089 30.409 30.300 0.032 0.000 1.075 412 R HN 0.286 nan 8.270 nan 0.000 0.480 413 L N 2.558 123.802 121.223 0.034 0.000 2.485 413 L HA 0.257 4.598 4.340 0.002 0.000 0.260 413 L C -0.039 176.848 176.870 0.030 0.000 0.998 413 L CA -0.467 54.391 54.840 0.030 0.000 0.883 413 L CB 1.874 43.953 42.059 0.033 0.000 1.196 413 L HN 0.534 nan 8.230 nan 0.000 0.443 414 E N 3.910 124.126 120.200 0.026 0.000 2.415 414 E HA 0.156 4.507 4.350 0.002 0.000 0.263 414 E C 0.170 176.785 176.600 0.025 0.000 0.995 414 E CA -0.556 55.859 56.400 0.026 0.000 0.915 414 E CB 0.936 30.650 29.700 0.022 0.000 0.951 414 E HN 0.535 nan 8.360 nan 0.000 0.449 415 I N 1.593 122.178 120.570 0.026 0.000 2.932 415 I HA -0.091 4.080 4.170 0.002 0.000 0.295 415 I C 0.732 176.863 176.117 0.023 0.000 1.227 415 I CA 0.104 61.419 61.300 0.025 0.000 1.429 415 I CB 0.664 38.679 38.000 0.027 0.000 1.339 415 I HN 0.633 nan 8.210 nan 0.000 0.589 416 E N 3.907 124.120 120.200 0.022 0.000 2.060 416 E HA -0.070 4.281 4.350 0.002 0.000 0.189 416 E C 0.189 176.806 176.600 0.027 0.000 0.974 416 E CA 0.825 57.238 56.400 0.022 0.000 0.808 416 E CB 0.026 29.737 29.700 0.018 0.000 0.768 416 E HN 0.717 nan 8.360 nan 0.000 0.453 417 K N 1.998 122.416 120.400 0.030 0.000 2.184 417 K HA 0.181 4.502 4.320 0.002 0.000 0.259 417 K C 0.700 177.333 176.600 0.055 0.000 1.119 417 K CA 0.010 56.323 56.287 0.044 0.000 0.991 417 K CB 0.785 33.313 32.500 0.046 0.000 1.522 417 K HN -0.109 nan 8.250 nan 0.000 0.405 418 T N -0.950 113.627 114.554 0.038 0.000 2.896 418 T HA -0.165 4.187 4.350 0.002 0.000 0.263 418 T C 0.948 175.653 174.700 0.008 0.000 1.050 418 T CA 0.417 62.525 62.100 0.014 0.000 1.140 418 T CB -0.488 68.371 68.868 -0.016 0.000 0.877 418 T HN 0.728 nan 8.240 nan 0.000 0.457 419 N N 2.225 120.943 118.700 0.030 0.000 2.689 419 N HA -0.179 4.562 4.740 0.002 0.000 0.263 419 N C 0.107 175.586 175.510 -0.052 0.000 0.987 419 N CA 0.497 53.576 53.050 0.049 0.000 0.782 419 N CB -1.698 36.866 38.487 0.129 0.000 0.903 419 N HN 0.431 nan 8.380 nan 0.000 0.547 420 N N -0.291 118.261 118.700 -0.246 0.000 2.381 420 N HA -0.050 4.691 4.740 0.002 0.000 0.182 420 N C 0.719 175.845 175.510 -0.639 0.000 1.025 420 N CA 1.207 53.918 53.050 -0.566 0.000 0.888 420 N CB -0.107 37.796 38.487 -0.973 0.000 0.965 420 N HN 0.535 nan 8.380 nan 0.000 0.438 421 F N -1.334 118.651 119.950 0.057 0.000 2.747 421 F HA 0.378 4.906 4.527 0.002 0.000 0.305 421 F C 2.231 178.081 175.800 0.085 0.000 1.065 421 F CA -0.229 57.807 58.000 0.059 0.000 1.230 421 F CB -0.649 38.380 39.000 0.050 0.000 1.027 421 F HN -0.105 nan 8.300 nan 0.000 0.607 422 G N -0.105 108.841 108.800 0.243 0.000 2.464 422 G HA2 -0.247 3.714 3.960 0.002 0.000 0.214 422 G HA3 -0.247 3.714 3.960 0.002 0.000 0.214 422 G C 1.516 176.535 174.900 0.198 0.000 1.218 422 G CA 0.836 46.061 45.100 0.208 0.000 0.794 422 G HN 0.328 nan 8.290 nan 0.000 0.542 423 Q N 0.076 119.978 119.800 0.171 0.000 2.084 423 Q HA -0.060 4.282 4.340 0.002 0.000 0.202 423 Q C 2.854 178.987 176.000 0.221 0.000 0.978 423 Q CA 1.464 57.376 55.803 0.182 0.000 0.844 423 Q CB -0.327 28.429 28.738 0.029 0.000 0.898 423 Q HN 0.412 nan 8.270 nan 0.000 0.426 424 A N 0.443 123.377 122.820 0.189 0.000 1.917 424 A HA -0.205 4.116 4.320 0.002 0.000 0.219 424 A C 2.200 179.932 177.584 0.247 0.000 1.182 424 A CA 1.880 54.051 52.037 0.224 0.000 0.633 424 A CB -1.413 17.719 19.000 0.220 0.000 0.819 424 A HN 0.614 nan 8.150 nan 0.000 0.448 425 G N -0.461 108.477 108.800 0.230 0.000 2.433 425 G HA2 -0.232 3.730 3.960 0.002 0.000 0.216 425 G HA3 -0.232 3.730 3.960 0.002 0.000 0.216 425 G C 1.391 176.414 174.900 0.206 0.000 1.186 425 G CA 1.013 46.241 45.100 0.212 0.000 0.779 425 G HN 0.674 nan 8.290 nan 0.000 0.543 426 E N 0.000 120.309 120.200 0.181 0.000 2.118 426 E HA -0.104 4.247 4.350 0.002 0.000 0.195 426 E C 2.688 179.320 176.600 0.053 0.000 0.992 426 E CA 0.990 57.455 56.400 0.108 0.000 0.804 426 E CB -0.195 29.594 29.700 0.149 0.000 0.741 426 E HN 0.300 nan 8.360 nan 0.000 0.458 427 V N 0.765 120.779 119.914 0.167 0.000 2.295 427 V HA -0.294 3.827 4.120 0.002 0.000 0.246 427 V C 2.054 178.183 176.094 0.057 0.000 1.049 427 V CA 2.027 64.395 62.300 0.113 0.000 1.024 427 V CB -0.587 31.326 31.823 0.151 0.000 0.648 427 V HN 0.331 nan 8.190 nan 0.000 0.447 428 Y N 1.052 121.360 120.300 0.014 0.000 2.128 428 Y HA -0.253 4.298 4.550 0.002 0.000 0.284 428 Y C 2.746 178.633 175.900 -0.021 0.000 1.154 428 Y CA 1.837 59.939 58.100 0.003 0.000 1.149 428 Y CB -0.088 38.398 38.460 0.043 0.000 0.976 428 Y HN 0.069 nan 8.280 nan 0.000 0.505 429 R N -0.169 120.307 120.500 -0.040 0.000 2.189 429 R HA -0.086 4.255 4.340 0.002 0.000 0.223 429 R C 2.124 178.318 176.300 -0.176 0.000 1.092 429 R CA 1.081 57.100 56.100 -0.134 0.000 0.989 429 R CB -0.147 30.144 30.300 -0.014 0.000 0.876 429 R HN 0.342 nan 8.270 nan 0.000 0.457 430 R N -0.282 120.116 120.500 -0.170 0.000 2.276 430 R HA 0.098 4.440 4.340 0.002 0.000 0.203 430 R C 0.542 176.740 176.300 -0.171 0.000 1.017 430 R CA 0.333 56.320 56.100 -0.188 0.000 1.010 430 R CB 0.115 30.270 30.300 -0.243 0.000 0.900 430 R HN 0.099 nan 8.270 nan 0.000 0.469 431 M N 0.913 120.390 119.600 -0.204 0.000 2.243 431 M HA 0.021 4.502 4.480 0.002 0.000 0.341 431 M C 0.829 177.021 176.300 -0.180 0.000 1.130 431 M CA 0.081 55.269 55.300 -0.187 0.000 1.162 431 M CB 1.049 33.510 32.600 -0.233 0.000 1.497 431 M HN 0.103 nan 8.290 nan 0.000 0.456 432 T N -1.790 112.691 114.554 -0.123 0.000 2.748 432 T HA 0.026 4.377 4.350 0.002 0.000 0.304 432 T C 0.967 175.598 174.700 -0.115 0.000 1.041 432 T CA -0.294 61.744 62.100 -0.103 0.000 1.033 432 T CB 0.661 69.489 68.868 -0.066 0.000 0.995 432 T HN 0.863 nan 8.240 nan 0.000 0.536 433 E N 0.438 120.585 120.200 -0.089 0.000 2.110 433 E HA -0.218 4.133 4.350 0.002 0.000 0.193 433 E C 1.627 178.200 176.600 -0.044 0.000 0.988 433 E CA 1.397 57.752 56.400 -0.074 0.000 0.804 433 E CB -0.181 29.488 29.700 -0.052 0.000 0.745 433 E HN 0.810 nan 8.360 nan 0.000 0.458 434 E N 1.231 121.411 120.200 -0.032 0.000 2.047 434 E HA -0.174 4.177 4.350 0.002 0.000 0.191 434 E C 1.993 178.590 176.600 -0.005 0.000 0.987 434 E CA 1.607 58.000 56.400 -0.012 0.000 0.799 434 E CB -0.153 29.542 29.700 -0.008 0.000 0.752 434 E HN 0.409 nan 8.360 nan 0.000 0.449 435 E N 0.807 120.996 120.200 -0.019 0.000 2.085 435 E HA -0.259 4.092 4.350 0.002 0.000 0.194 435 E C 2.205 178.809 176.600 0.007 0.000 0.994 435 E CA 1.322 57.718 56.400 -0.007 0.000 0.801 435 E CB -0.147 29.534 29.700 -0.030 0.000 0.743 435 E HN 0.336 nan 8.360 nan 0.000 0.453 436 Q N -0.104 119.674 119.800 -0.036 0.000 2.124 436 Q HA -0.142 4.200 4.340 0.002 0.000 0.202 436 Q C 2.189 178.240 176.000 0.084 0.000 0.977 436 Q CA 1.289 57.101 55.803 0.015 0.000 0.850 436 Q CB -0.064 28.590 28.738 -0.139 0.000 0.901 436 Q HN 0.362 nan 8.270 nan 0.000 0.429 437 M N -0.134 119.490 119.600 0.040 0.000 2.099 437 M HA -0.128 4.353 4.480 0.002 0.000 0.262 437 M C 2.435 178.763 176.300 0.047 0.000 1.067 437 M CA 1.404 56.728 55.300 0.040 0.000 1.124 437 M CB -0.380 32.233 32.600 0.023 0.000 1.353 437 M HN 0.227 nan 8.290 nan 0.000 0.410 438 A N 0.703 123.553 122.820 0.050 0.000 1.892 438 A HA -0.218 4.103 4.320 0.002 0.000 0.218 438 A C 2.148 179.786 177.584 0.090 0.000 1.188 438 A CA 1.849 53.925 52.037 0.066 0.000 0.631 438 A CB -1.055 17.984 19.000 0.066 0.000 0.822 438 A HN 0.466 nan 8.150 nan 0.000 0.447 439 L N -0.835 120.449 121.223 0.102 0.000 2.013 439 L HA -0.167 4.174 4.340 0.002 0.000 0.212 439 L C 2.276 179.173 176.870 0.046 0.000 1.073 439 L CA 2.357 57.269 54.840 0.120 0.000 0.753 439 L CB -0.595 41.554 42.059 0.150 0.000 0.890 439 L HN 0.381 nan 8.230 nan 0.000 0.432 440 L N -0.212 121.026 121.223 0.025 0.000 2.027 440 L HA -0.194 4.148 4.340 0.002 0.000 0.206 440 L C 2.176 179.026 176.870 -0.033 0.000 1.074 440 L CA 2.015 56.832 54.840 -0.038 0.000 0.745 440 L CB -1.006 41.047 42.059 -0.010 0.000 0.898 440 L HN 0.441 nan 8.230 nan 0.000 0.433 441 N N -0.509 118.197 118.700 0.010 0.000 2.069 441 N HA -0.213 4.529 4.740 0.002 0.000 0.191 441 N C 1.383 176.914 175.510 0.034 0.000 1.031 441 N CA 1.406 54.468 53.050 0.019 0.000 0.852 441 N CB -0.193 38.316 38.487 0.037 0.000 1.018 441 N HN 0.455 nan 8.380 nan 0.000 0.423 442 N N 1.262 120.012 118.700 0.083 0.000 2.106 442 N HA -0.053 4.688 4.740 0.002 0.000 0.188 442 N C 1.916 177.459 175.510 0.055 0.000 1.029 442 N CA 0.658 53.812 53.050 0.173 0.000 0.848 442 N CB -0.490 38.203 38.487 0.344 0.000 1.007 442 N HN 0.226 nan 8.380 nan 0.000 0.423 443 L N 0.514 121.663 121.223 -0.124 0.000 2.042 443 L HA -0.144 4.198 4.340 0.002 0.000 0.210 443 L C 2.261 178.963 176.870 -0.280 0.000 1.076 443 L CA 0.874 55.485 54.840 -0.382 0.000 0.749 443 L CB -0.460 41.338 42.059 -0.436 0.000 0.893 443 L HN -0.020 nan 8.230 nan 0.000 0.432 444 V N -0.008 119.802 119.914 -0.173 0.000 2.270 444 V HA -0.297 3.825 4.120 0.002 0.000 0.245 444 V C 2.352 178.390 176.094 -0.094 0.000 1.043 444 V CA 2.048 64.264 62.300 -0.140 0.000 1.014 444 V CB -0.776 30.991 31.823 -0.093 0.000 0.645 444 V HN 0.585 nan 8.190 nan 0.000 0.447 445 N N 0.120 118.800 118.700 -0.032 0.000 2.091 445 N HA -0.270 4.471 4.740 0.002 0.000 0.193 445 N C 1.590 177.121 175.510 0.035 0.000 1.021 445 N CA 2.305 55.366 53.050 0.018 0.000 0.862 445 N CB -0.093 38.436 38.487 0.069 0.000 1.018 445 N HN 0.554 nan 8.380 nan 0.000 0.429 446 D N -0.038 120.384 120.400 0.037 0.000 2.123 446 D HA 0.043 4.685 4.640 0.002 0.000 0.200 446 D C 2.041 178.303 176.300 -0.063 0.000 0.976 446 D CA 0.584 54.656 54.000 0.120 0.000 0.831 446 D CB 0.074 41.035 40.800 0.268 0.000 0.974 446 D HN 0.233 nan 8.370 nan 0.000 0.469 447 L N 0.194 121.247 121.223 -0.282 0.000 2.395 447 L HA -0.009 4.333 4.340 0.002 0.000 0.218 447 L C 2.059 178.787 176.870 -0.237 0.000 1.130 447 L CA 0.534 55.110 54.840 -0.440 0.000 0.826 447 L CB -0.163 41.549 42.059 -0.579 0.000 0.941 447 L HN 0.036 nan 8.230 nan 0.000 0.451 448 Q N -0.269 119.446 119.800 -0.141 0.000 2.364 448 Q HA -0.179 4.162 4.340 0.002 0.000 0.207 448 Q C 1.624 177.589 176.000 -0.059 0.000 0.970 448 Q CA 0.918 56.669 55.803 -0.087 0.000 0.888 448 Q CB 0.102 28.807 28.738 -0.054 0.000 0.951 448 Q HN 0.593 nan 8.270 nan 0.000 0.469 449 Q N -0.532 119.240 119.800 -0.047 0.000 2.319 449 Q HA 0.103 4.444 4.340 0.002 0.000 0.202 449 Q C -0.191 175.796 176.000 -0.021 0.000 0.896 449 Q CA -0.179 55.617 55.803 -0.012 0.000 0.942 449 Q CB 0.957 29.716 28.738 0.035 0.000 1.083 449 Q HN 0.067 nan 8.270 nan 0.000 0.510 450 V N 1.407 121.282 119.914 -0.065 0.000 2.686 450 V HA 0.078 4.199 4.120 0.002 0.000 0.295 450 V C 0.959 177.043 176.094 -0.017 0.000 1.055 450 V CA 0.330 62.608 62.300 -0.037 0.000 1.050 450 V CB 1.272 33.030 31.823 -0.108 0.000 0.984 450 V HN 0.266 nan 8.190 nan 0.000 0.482 451 R N 1.293 121.817 120.500 0.039 0.000 2.472 451 R HA 0.256 4.597 4.340 0.002 0.000 0.279 451 R C -0.570 175.607 176.300 -0.205 0.000 0.953 451 R CA -0.158 55.905 56.100 -0.062 0.000 1.088 451 R CB 0.319 30.575 30.300 -0.074 0.000 1.197 451 R HN 0.758 nan 8.270 nan 0.000 0.536 452 H N -0.116 118.936 119.070 -0.029 0.000 2.589 452 H HA 0.088 4.645 4.556 0.002 0.000 0.335 452 H C 0.508 175.812 175.328 -0.040 0.000 1.019 452 H CA -0.494 55.539 56.048 -0.024 0.000 1.213 452 H CB 1.977 31.733 29.762 -0.010 0.000 1.472 452 H HN 0.026 nan 8.280 nan 0.000 0.508 453 E N 3.147 123.363 120.200 0.026 0.000 2.085 453 E HA -0.293 4.058 4.350 0.002 0.000 0.194 453 E C 1.632 178.222 176.600 -0.016 0.000 0.994 453 E CA 1.311 57.706 56.400 -0.009 0.000 0.801 453 E CB 0.142 29.832 29.700 -0.016 0.000 0.743 453 E HN 0.649 nan 8.360 nan 0.000 0.453 454 N N -0.671 118.034 118.700 0.009 0.000 2.166 454 N HA -0.135 4.607 4.740 0.002 0.000 0.186 454 N C 1.478 176.963 175.510 -0.040 0.000 1.019 454 N CA 1.791 54.822 53.050 -0.032 0.000 0.856 454 N CB -0.026 38.455 38.487 -0.010 0.000 0.993 454 N HN 0.208 nan 8.380 nan 0.000 0.426 455 T N 0.626 115.183 114.554 0.006 0.000 2.737 455 T HA -0.055 4.296 4.350 0.002 0.000 0.265 455 T C 2.115 176.793 174.700 -0.037 0.000 1.038 455 T CA 1.026 63.135 62.100 0.015 0.000 1.144 455 T CB -0.267 68.640 68.868 0.064 0.000 0.866 455 T HN 0.022 nan 8.240 nan 0.000 0.434 456 V N 1.941 121.808 119.914 -0.078 0.000 2.287 456 V HA -0.138 3.984 4.120 0.002 0.000 0.248 456 V C 2.472 178.492 176.094 -0.124 0.000 1.053 456 V CA 1.368 63.581 62.300 -0.146 0.000 1.027 456 V CB -0.789 30.950 31.823 -0.140 0.000 0.646 456 V HN 0.416 nan 8.190 nan 0.000 0.447 457 L N -0.718 120.433 121.223 -0.120 0.000 2.012 457 L HA -0.217 4.124 4.340 0.002 0.000 0.210 457 L C 2.438 179.209 176.870 -0.165 0.000 1.073 457 L CA 1.969 56.709 54.840 -0.168 0.000 0.748 457 L CB -0.305 41.602 42.059 -0.254 0.000 0.891 457 L HN 0.340 nan 8.230 nan 0.000 0.431 458 L N -0.652 120.494 121.223 -0.128 0.000 2.017 458 L HA -0.219 4.122 4.340 0.002 0.000 0.208 458 L C 2.758 179.609 176.870 -0.031 0.000 1.073 458 L CA 1.393 56.181 54.840 -0.086 0.000 0.745 458 L CB -0.436 41.599 42.059 -0.039 0.000 0.894 458 L HN 0.333 nan 8.230 nan 0.000 0.432 459 A N 0.337 123.158 122.820 0.001 0.000 1.865 459 A HA -0.249 4.073 4.320 0.002 0.000 0.217 459 A C 2.082 179.735 177.584 0.114 0.000 1.191 459 A CA 1.874 53.947 52.037 0.060 0.000 0.623 459 A CB -0.760 18.188 19.000 -0.086 0.000 0.826 459 A HN 0.431 nan 8.150 nan 0.000 0.444 460 I N -0.459 120.148 120.570 0.060 0.000 2.163 460 I HA -0.354 3.817 4.170 0.002 0.000 0.243 460 I C 2.564 178.738 176.117 0.095 0.000 1.085 460 I CA 1.374 62.736 61.300 0.102 0.000 1.347 460 I CB -0.588 37.416 38.000 0.006 0.000 1.044 460 I HN 0.397 nan 8.210 nan 0.000 0.408 461 C N 0.744 120.033 119.300 -0.018 0.000 2.413 461 C HA -0.147 4.314 4.460 0.002 0.000 0.277 461 C C 2.635 177.571 174.990 -0.090 0.000 1.265 461 C CA 0.833 59.813 59.018 -0.063 0.000 1.752 461 C CB -1.503 26.145 27.740 -0.152 0.000 1.998 461 C HN 0.553 nan 8.230 nan 0.000 0.489 462 N N 0.638 119.280 118.700 -0.098 0.000 2.120 462 N HA -0.066 4.676 4.740 0.002 0.000 0.188 462 N C 1.442 176.870 175.510 -0.137 0.000 1.024 462 N CA 1.423 54.391 53.050 -0.136 0.000 0.852 462 N CB -0.594 37.866 38.487 -0.044 0.000 1.003 462 N HN 0.528 nan 8.380 nan 0.000 0.424 463 F N -0.200 119.802 119.950 0.086 0.000 2.146 463 F HA -0.139 4.389 4.527 0.002 0.000 0.298 463 F C 2.333 178.123 175.800 -0.016 0.000 1.096 463 F CA 0.694 58.720 58.000 0.044 0.000 1.275 463 F CB -0.600 38.399 39.000 -0.001 0.000 1.008 463 F HN 0.033 nan 8.300 nan 0.000 0.480 464 Y N 1.373 121.705 120.300 0.053 0.000 2.114 464 Y HA -0.306 4.245 4.550 0.002 0.000 0.282 464 Y C 2.522 178.379 175.900 -0.071 0.000 1.165 464 Y CA 1.694 59.781 58.100 -0.023 0.000 1.148 464 Y CB -0.325 38.111 38.460 -0.041 0.000 0.972 464 Y HN -0.114 nan 8.280 nan 0.000 0.504 465 R N -0.324 120.174 120.500 -0.004 0.000 2.127 465 R HA -0.178 4.163 4.340 0.002 0.000 0.238 465 R C 2.401 178.661 176.300 -0.066 0.000 1.134 465 R CA 0.993 56.983 56.100 -0.185 0.000 0.975 465 R CB -0.493 29.320 30.300 -0.812 0.000 0.865 465 R HN 0.468 nan 8.270 nan 0.000 0.447 466 A N 0.292 123.132 122.820 0.034 0.000 1.855 466 A HA -0.067 4.254 4.320 0.002 0.000 0.213 466 A C 0.797 178.411 177.584 0.050 0.000 1.195 466 A CA 0.869 52.992 52.037 0.143 0.000 0.610 466 A CB 0.263 19.401 19.000 0.231 0.000 0.837 466 A HN 0.218 nan 8.150 nan 0.000 0.444 467 D N -2.327 118.041 120.400 -0.054 0.000 2.763 467 D HA 0.495 5.136 4.640 0.002 0.000 0.235 467 D C 0.677 176.793 176.300 -0.306 0.000 1.334 467 D CA 0.327 54.256 54.000 -0.117 0.000 0.950 467 D CB 1.884 42.664 40.800 -0.033 0.000 1.433 467 D HN 0.090 nan 8.370 nan 0.000 0.580 468 A N 2.844 125.399 122.820 -0.442 0.000 1.865 468 A HA -0.203 4.118 4.320 0.002 0.000 0.217 468 A C 2.099 179.485 177.584 -0.332 0.000 1.191 468 A CA 2.465 54.043 52.037 -0.766 0.000 0.623 468 A CB -0.693 17.957 19.000 -0.585 0.000 0.826 468 A HN 0.663 nan 8.150 nan 0.000 0.444 469 S N -0.342 115.275 115.700 -0.139 0.000 2.399 469 S HA -0.164 4.307 4.470 0.002 0.000 0.231 469 S C 1.836 176.409 174.600 -0.046 0.000 1.022 469 S CA 1.487 59.668 58.200 -0.030 0.000 0.983 469 S CB -0.663 62.563 63.200 0.044 0.000 0.803 469 S HN 0.474 nan 8.310 nan 0.000 0.480 470 L N 2.806 123.929 121.223 -0.166 0.000 2.017 470 L HA 0.176 4.517 4.340 0.002 0.000 0.208 470 L C 2.502 179.294 176.870 -0.131 0.000 1.073 470 L CA 2.030 56.693 54.840 -0.295 0.000 0.745 470 L CB -1.458 40.157 42.059 -0.741 0.000 0.894 470 L HN 0.357 nan 8.230 nan 0.000 0.432 471 G N -1.123 107.646 108.800 -0.051 0.000 2.440 471 G HA2 -0.280 3.681 3.960 0.002 0.000 0.218 471 G HA3 -0.280 3.681 3.960 0.002 0.000 0.218 471 G C 1.436 176.440 174.900 0.173 0.000 1.154 471 G CA 0.977 46.174 45.100 0.162 0.000 0.767 471 G HN 0.554 nan 8.290 nan 0.000 0.552 472 E N 0.269 120.555 120.200 0.144 0.000 2.047 472 E HA -0.049 4.302 4.350 0.002 0.000 0.191 472 E C 2.559 179.185 176.600 0.043 0.000 0.987 472 E CA 0.909 57.377 56.400 0.112 0.000 0.799 472 E CB -0.071 29.690 29.700 0.102 0.000 0.752 472 E HN 0.348 nan 8.360 nan 0.000 0.449 473 K N 0.720 121.128 120.400 0.014 0.000 2.032 473 K HA -0.147 4.174 4.320 0.002 0.000 0.209 473 K C 2.219 178.801 176.600 -0.029 0.000 1.048 473 K CA 1.060 57.343 56.287 -0.007 0.000 0.927 473 K CB -0.192 32.303 32.500 -0.008 0.000 0.712 473 K HN 0.076 nan 8.250 nan 0.000 0.441 474 L N 0.530 121.722 121.223 -0.053 0.000 2.012 474 L HA -0.252 4.089 4.340 0.002 0.000 0.210 474 L C 2.714 179.557 176.870 -0.045 0.000 1.073 474 L CA 1.323 56.118 54.840 -0.076 0.000 0.748 474 L CB -0.560 41.440 42.059 -0.098 0.000 0.891 474 L HN 0.262 nan 8.230 nan 0.000 0.431 475 S N -0.298 115.397 115.700 -0.009 0.000 2.359 475 S HA -0.241 4.230 4.470 0.002 0.000 0.224 475 S C 1.816 176.410 174.600 -0.010 0.000 1.035 475 S CA 1.804 60.002 58.200 -0.004 0.000 1.018 475 S CB -0.131 63.083 63.200 0.023 0.000 0.876 475 S HN 0.447 nan 8.310 nan 0.000 0.448 476 E N 0.716 120.914 120.200 -0.004 0.000 2.051 476 E HA -0.042 4.309 4.350 0.002 0.000 0.192 476 E C 2.394 178.984 176.600 -0.017 0.000 0.991 476 E CA 1.144 57.540 56.400 -0.006 0.000 0.799 476 E CB -0.352 29.349 29.700 0.001 0.000 0.748 476 E HN 0.644 nan 8.360 nan 0.000 0.449 477 A N 0.740 123.544 122.820 -0.027 0.000 2.067 477 A HA -0.109 4.212 4.320 0.002 0.000 0.219 477 A C 1.968 179.525 177.584 -0.045 0.000 1.158 477 A CA 0.757 52.773 52.037 -0.035 0.000 0.661 477 A CB -0.143 18.831 19.000 -0.044 0.000 0.801 477 A HN 0.108 nan 8.150 nan 0.000 0.452 478 L N -0.454 120.738 121.223 -0.051 0.000 2.131 478 L HA 0.057 4.399 4.340 0.002 0.000 0.206 478 L C -0.179 176.660 176.870 -0.052 0.000 1.087 478 L CA 1.134 55.935 54.840 -0.063 0.000 0.767 478 L CB -1.384 40.625 42.059 -0.085 0.000 0.917 478 L HN 0.339 nan 8.230 nan 0.000 0.441 479 N N -0.844 117.834 118.700 -0.037 0.000 2.457 479 N HA 0.369 5.110 4.740 0.002 0.000 0.250 479 N C -0.884 174.613 175.510 -0.022 0.000 0.982 479 N CA -0.007 53.027 53.050 -0.027 0.000 0.941 479 N CB 1.752 40.227 38.487 -0.019 0.000 1.120 479 N HN -0.240 nan 8.380 nan 0.000 0.505 480 V N 1.292 121.194 119.914 -0.021 0.000 2.531 480 V HA 0.242 4.363 4.120 0.002 0.000 0.301 480 V C -0.581 175.517 176.094 0.006 0.000 1.034 480 V CA -0.875 61.418 62.300 -0.012 0.000 0.865 480 V CB 1.989 33.793 31.823 -0.032 0.000 0.995 480 V HN 0.535 nan 8.190 nan 0.000 0.424 481 D N 3.632 124.049 120.400 0.028 0.000 2.325 481 D HA 0.306 4.948 4.640 0.002 0.000 0.251 481 D C 0.885 177.242 176.300 0.096 0.000 1.196 481 D CA -0.167 53.858 54.000 0.041 0.000 0.866 481 D CB 1.108 41.925 40.800 0.029 0.000 1.101 481 D HN 0.565 nan 8.370 nan 0.000 0.476 482 I N 0.576 121.181 120.570 0.058 0.000 3.968 482 I HA 0.165 4.336 4.170 0.002 0.000 0.328 482 I C 1.691 177.837 176.117 0.049 0.000 1.290 482 I CA -0.402 60.947 61.300 0.082 0.000 1.163 482 I CB 0.181 38.141 38.000 -0.068 0.000 1.024 482 I HN 0.069 nan 8.210 nan 0.000 0.413 483 K N 2.034 122.426 120.400 -0.015 0.000 2.009 483 K HA -0.083 4.239 4.320 0.002 0.000 0.210 483 K C -0.309 176.222 176.600 -0.115 0.000 1.049 483 K CA 1.954 58.200 56.287 -0.068 0.000 0.929 483 K CB -1.468 31.000 32.500 -0.053 0.000 0.714 483 K HN 0.305 nan 8.250 nan 0.000 0.440 484 P HA -0.148 nan 4.420 nan 0.000 0.219 484 P C -0.129 176.795 177.300 -0.626 0.000 1.144 484 P CA 1.229 64.061 63.100 -0.447 0.000 0.806 484 P CB 0.066 31.380 31.700 -0.644 0.000 0.771 485 F N 0.000 119.889 119.950 -0.102 0.000 2.286 485 F HA 0.000 4.528 4.527 0.002 0.000 0.279 485 F CA 0.000 57.932 58.000 -0.114 0.000 1.383 485 F CB 0.000 38.933 39.000 -0.112 0.000 1.145 485 F HN 0.000 nan 8.300 nan 0.000 0.574