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_A 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 0.000 176.603 176.600 0.004 0.000 0.988 6 K CA 0.000 56.290 56.287 0.004 0.000 0.838 6 K CB 0.000 32.503 32.500 0.005 0.000 1.064 7 K N 3.257 123.660 120.400 0.004 0.000 2.297 7 K HA 0.157 4.472 4.320 -0.009 0.000 0.286 7 K C -0.036 176.567 176.600 0.005 0.000 1.053 7 K CA -0.774 55.516 56.287 0.005 0.000 0.940 7 K CB 0.747 33.249 32.500 0.005 0.000 1.019 7 K HN 0.355 nan 8.250 nan 0.000 0.475 8 L N 3.588 124.814 121.223 0.005 0.000 2.499 8 L HA 0.023 4.358 4.340 -0.009 0.000 0.273 8 L C 0.041 176.917 176.870 0.009 0.000 1.195 8 L CA 0.980 55.824 54.840 0.005 0.000 0.882 8 L CB 0.355 42.417 42.059 0.004 0.000 1.133 8 L HN 0.803 nan 8.230 nan 0.000 0.483 9 T N 0.553 115.113 114.554 0.011 0.000 2.901 9 T HA 0.688 5.033 4.350 -0.009 0.000 0.293 9 T C 0.161 174.877 174.700 0.026 0.000 1.084 9 T CA -0.201 61.911 62.100 0.019 0.000 1.008 9 T CB 1.188 70.066 68.868 0.017 0.000 1.170 9 T HN 0.815 nan 8.240 nan 0.000 0.509 10 T N -0.651 113.933 114.554 0.052 0.000 2.754 10 T HA 0.268 4.613 4.350 -0.009 0.000 0.286 10 T C 1.018 175.758 174.700 0.066 0.000 0.997 10 T CA -0.432 61.717 62.100 0.081 0.000 0.982 10 T CB -0.130 68.850 68.868 0.186 0.000 1.027 10 T HN 0.662 nan 8.240 nan 0.000 0.529 11 N N 0.229 118.975 118.700 0.077 0.000 2.573 11 N HA -0.065 4.669 4.740 -0.009 0.000 0.187 11 N C 1.440 176.991 175.510 0.070 0.000 1.107 11 N CA 0.083 53.163 53.050 0.050 0.000 0.918 11 N CB 0.029 38.537 38.487 0.036 0.000 0.966 11 N HN 0.475 nan 8.380 nan 0.000 0.448 12 Q N -0.442 119.413 119.800 0.092 0.000 2.360 12 Q HA 0.119 4.454 4.340 -0.009 0.000 0.202 12 Q C 1.162 177.175 176.000 0.022 0.000 0.915 12 Q CA 0.148 55.980 55.803 0.047 0.000 0.943 12 Q CB 0.746 29.490 28.738 0.010 0.000 1.064 12 Q HN 0.415 nan 8.270 nan 0.000 0.511 13 G N 0.886 109.703 108.800 0.029 0.000 2.155 13 G HA2 -0.266 3.689 3.960 -0.009 0.000 0.257 13 G HA3 -0.266 3.689 3.960 -0.009 0.000 0.257 13 G C 0.227 175.135 174.900 0.013 0.000 0.983 13 G CA 0.383 45.493 45.100 0.017 0.000 0.676 13 G HN 0.248 nan 8.290 nan 0.000 0.528 14 V N 1.886 121.811 119.914 0.019 0.000 2.488 14 V HA 0.353 4.468 4.120 -0.009 0.000 0.277 14 V C -1.393 174.715 176.094 0.023 0.000 1.046 14 V CA -1.336 60.972 62.300 0.014 0.000 0.986 14 V CB 1.343 33.173 31.823 0.012 0.000 0.989 14 V HN 0.121 nan 8.190 nan 0.000 0.475 15 P HA 0.180 nan 4.420 nan 0.000 0.267 15 P C -0.316 176.996 177.300 0.019 0.000 1.205 15 P CA 0.089 63.198 63.100 0.014 0.000 0.765 15 P CB 0.396 32.101 31.700 0.008 0.000 0.828 16 I N 2.347 122.928 120.570 0.019 0.000 2.371 16 I HA 0.172 4.336 4.170 -0.009 0.000 0.290 16 I C 1.681 177.805 176.117 0.012 0.000 1.028 16 I CA 0.441 61.753 61.300 0.019 0.000 1.345 16 I CB 1.144 39.154 38.000 0.018 0.000 1.407 16 I HN 0.486 nan 8.210 nan 0.000 0.501 17 G N 3.915 112.723 108.800 0.012 0.000 2.510 17 G HA2 -0.067 3.887 3.960 -0.009 0.000 0.212 17 G HA3 -0.067 3.887 3.960 -0.009 0.000 0.212 17 G C 0.170 175.073 174.900 0.005 0.000 1.151 17 G CA 0.308 45.413 45.100 0.008 0.000 0.817 17 G HN 0.577 nan 8.290 nan 0.000 0.534 18 D N -0.428 119.975 120.400 0.006 0.000 2.402 18 D HA 0.158 4.793 4.640 -0.009 0.000 0.252 18 D C -0.495 175.805 176.300 -0.001 0.000 1.294 18 D CA -0.690 53.311 54.000 0.002 0.000 0.948 18 D CB 0.961 41.762 40.800 0.002 0.000 1.202 18 D HN -0.056 nan 8.370 nan 0.000 0.561 19 N N 2.241 120.938 118.700 -0.005 0.000 2.276 19 N HA 0.026 4.760 4.740 -0.009 0.000 0.212 19 N C 0.434 175.934 175.510 -0.018 0.000 1.127 19 N CA 0.314 53.357 53.050 -0.011 0.000 0.834 19 N CB 0.371 38.852 38.487 -0.010 0.000 1.014 19 N HN 0.324 nan 8.380 nan 0.000 0.491 20 Q N -1.243 118.548 119.800 -0.015 0.000 2.288 20 Q HA 0.282 4.617 4.340 -0.009 0.000 0.256 20 Q C -0.568 175.420 176.000 -0.019 0.000 0.835 20 Q CA 0.296 56.088 55.803 -0.019 0.000 0.958 20 Q CB 0.509 29.239 28.738 -0.014 0.000 1.125 20 Q HN 0.222 nan 8.270 nan 0.000 0.513 21 N N 0.859 119.550 118.700 -0.015 0.000 2.296 21 N HA 0.317 5.052 4.740 -0.009 0.000 0.294 21 N C -0.806 174.696 175.510 -0.012 0.000 1.033 21 N CA -0.162 52.880 53.050 -0.013 0.000 0.839 21 N CB 2.044 40.526 38.487 -0.008 0.000 1.395 21 N HN -0.136 nan 8.380 nan 0.000 0.479 22 S N 0.719 116.410 115.700 -0.014 0.000 2.584 22 S HA 0.129 4.594 4.470 -0.009 0.000 0.270 22 S C 0.698 175.296 174.600 -0.004 0.000 1.346 22 S CA -0.384 57.809 58.200 -0.011 0.000 1.018 22 S CB 1.004 64.195 63.200 -0.015 0.000 0.899 22 S HN 0.416 nan 8.310 nan 0.000 0.542 23 R N 1.684 122.185 120.500 0.002 0.000 2.248 23 R HA 0.264 4.599 4.340 -0.009 0.000 0.328 23 R C -0.202 176.101 176.300 0.005 0.000 1.067 23 R CA -0.072 56.032 56.100 0.006 0.000 0.924 23 R CB -0.046 30.262 30.300 0.014 0.000 1.013 23 R HN 0.806 nan 8.270 nan 0.000 0.454 24 T N 0.524 115.080 114.554 0.003 0.000 2.924 24 T HA 0.527 4.871 4.350 -0.009 0.000 0.291 24 T C 0.011 174.713 174.700 0.003 0.000 1.045 24 T CA -0.952 61.150 62.100 0.002 0.000 1.015 24 T CB 1.945 70.813 68.868 -0.001 0.000 1.103 24 T HN 0.511 nan 8.240 nan 0.000 0.496 25 A N 1.165 123.986 122.820 0.003 0.000 3.063 25 A HA 0.679 4.993 4.320 -0.009 0.000 0.263 25 A C 1.153 178.739 177.584 0.002 0.000 1.736 25 A CA 0.181 52.220 52.037 0.004 0.000 1.408 25 A CB -1.673 17.329 19.000 0.004 0.000 1.108 25 A HN 2.076 nan 8.150 nan 0.000 0.621 26 G N -0.092 108.709 108.800 0.002 0.000 2.570 26 G HA2 -0.122 3.833 3.960 -0.009 0.000 0.686 26 G HA3 -0.122 3.833 3.960 -0.009 0.000 0.686 26 G C 0.434 175.334 174.900 0.000 0.000 1.257 26 G CA -0.081 45.020 45.100 0.001 0.000 0.846 26 G HN 0.661 nan 8.290 nan 0.000 0.627 27 R N -0.126 120.374 120.500 -0.000 0.000 2.105 27 R HA -0.029 4.306 4.340 -0.009 0.000 0.239 27 R C 1.886 178.185 176.300 -0.002 0.000 1.135 27 R CA 1.879 57.978 56.100 -0.001 0.000 0.967 27 R CB -0.130 30.169 30.300 -0.001 0.000 0.861 27 R HN 0.494 nan 8.270 nan 0.000 0.442 28 R N -0.718 119.781 120.500 -0.001 0.000 2.662 28 R HA 0.230 4.564 4.340 -0.009 0.000 0.396 28 R C -0.114 176.185 176.300 -0.001 0.000 1.096 28 R CA -0.099 56.000 56.100 -0.002 0.000 1.081 28 R CB 1.723 32.022 30.300 -0.002 0.000 1.382 28 R HN 0.115 nan 8.270 nan 0.000 0.580 29 G N 1.700 110.499 108.800 -0.001 0.000 2.552 29 G HA2 0.468 4.423 3.960 -0.009 0.000 0.324 29 G HA3 0.468 4.423 3.960 -0.009 0.000 0.324 29 G C -2.491 172.409 174.900 -0.000 0.000 1.217 29 G CA -1.273 43.827 45.100 -0.000 0.000 0.989 29 G HN -0.143 nan 8.290 nan 0.000 0.490 30 P HA 0.194 nan 4.420 nan 0.000 0.272 30 P C 0.044 177.344 177.300 0.001 0.000 1.230 30 P CA -0.070 63.030 63.100 0.000 0.000 0.788 30 P CB 0.524 32.225 31.700 0.001 0.000 0.949 31 T N 1.609 116.163 114.554 0.000 0.000 2.918 31 T HA 0.241 4.586 4.350 -0.009 0.000 0.302 31 T C 0.465 175.167 174.700 0.004 0.000 1.045 31 T CA -0.133 61.967 62.100 0.000 0.000 1.114 31 T CB -0.031 68.835 68.868 -0.003 0.000 0.965 31 T HN 0.180 nan 8.240 nan 0.000 0.540 32 L N 3.394 124.621 121.223 0.007 0.000 2.312 32 L HA 0.278 4.612 4.340 -0.009 0.000 0.281 32 L C 1.422 178.301 176.870 0.015 0.000 1.070 32 L CA -0.708 54.139 54.840 0.012 0.000 0.805 32 L CB 0.945 43.013 42.059 0.015 0.000 1.174 32 L HN 0.537 nan 8.230 nan 0.000 0.434 33 L N 2.669 123.903 121.223 0.017 0.000 2.187 33 L HA -0.204 4.131 4.340 -0.009 0.000 0.213 33 L C 2.244 179.135 176.870 0.036 0.000 1.100 33 L CA 1.759 56.612 54.840 0.022 0.000 0.765 33 L CB -0.486 41.587 42.059 0.022 0.000 0.904 33 L HN 0.792 nan 8.230 nan 0.000 0.437 34 E N -1.892 118.331 120.200 0.039 0.000 2.511 34 E HA -0.144 4.201 4.350 -0.009 0.000 0.196 34 E C 0.398 177.042 176.600 0.074 0.000 1.066 34 E CA 0.172 56.606 56.400 0.057 0.000 0.871 34 E CB -0.463 29.263 29.700 0.044 0.000 0.863 34 E HN 0.329 nan 8.360 nan 0.000 0.520 35 D N 0.961 121.393 120.400 0.053 0.000 2.541 35 D HA -0.088 4.547 4.640 -0.009 0.000 0.231 35 D C 0.219 176.554 176.300 0.057 0.000 1.163 35 D CA -0.119 53.911 54.000 0.050 0.000 1.077 35 D CB -0.338 40.472 40.800 0.017 0.000 1.110 35 D HN 0.309 nan 8.370 nan 0.000 0.499 36 Y N 2.430 122.733 120.300 0.006 0.000 2.165 36 Y HA -0.289 4.255 4.550 -0.009 0.000 0.286 36 Y C 2.222 178.128 175.900 0.010 0.000 1.155 36 Y CA 2.265 60.371 58.100 0.009 0.000 1.164 36 Y CB 0.065 38.530 38.460 0.008 0.000 0.978 36 Y HN 0.406 nan 8.280 nan 0.000 0.513 37 Q N -0.129 119.699 119.800 0.047 0.000 2.050 37 Q HA -0.241 4.093 4.340 -0.009 0.000 0.202 37 Q C 2.266 178.201 176.000 -0.109 0.000 0.980 37 Q CA 1.989 57.781 55.803 -0.019 0.000 0.840 37 Q CB -0.413 28.360 28.738 0.058 0.000 0.898 37 Q HN 0.605 nan 8.270 nan 0.000 0.424 38 L N 0.651 121.828 121.223 -0.077 0.000 1.994 38 L HA -0.149 4.186 4.340 -0.009 0.000 0.208 38 L C 2.198 179.003 176.870 -0.108 0.000 1.071 38 L CA 1.703 56.497 54.840 -0.076 0.000 0.745 38 L CB -0.401 41.630 42.059 -0.047 0.000 0.892 38 L HN 0.334 nan 8.230 nan 0.000 0.431 39 I N -0.403 120.083 120.570 -0.140 0.000 2.226 39 I HA -0.272 3.892 4.170 -0.009 0.000 0.245 39 I C 2.575 178.575 176.117 -0.195 0.000 1.100 39 I CA 1.613 62.830 61.300 -0.138 0.000 1.374 39 I CB -0.501 37.429 38.000 -0.115 0.000 1.057 39 I HN 0.471 nan 8.210 nan 0.000 0.413 40 E N 1.525 121.490 120.200 -0.391 0.000 2.085 40 E HA -0.303 4.042 4.350 -0.009 0.000 0.194 40 E C 2.215 178.742 176.600 -0.122 0.000 0.994 40 E CA 1.499 57.685 56.400 -0.357 0.000 0.801 40 E CB 0.049 29.378 29.700 -0.619 0.000 0.743 40 E HN 0.361 nan 8.360 nan 0.000 0.453 41 K N 0.098 120.435 120.400 -0.104 0.000 2.001 41 K HA -0.120 4.194 4.320 -0.009 0.000 0.208 41 K C 2.197 178.825 176.600 0.046 0.000 1.048 41 K CA 1.237 57.511 56.287 -0.021 0.000 0.932 41 K CB -0.017 32.453 32.500 -0.049 0.000 0.715 41 K HN 0.128 nan 8.250 nan 0.000 0.437 42 I N 1.414 121.989 120.570 0.008 0.000 2.226 42 I HA -0.190 3.974 4.170 -0.009 0.000 0.245 42 I C 2.516 178.708 176.117 0.125 0.000 1.100 42 I CA 1.381 62.718 61.300 0.062 0.000 1.374 42 I CB -1.526 36.479 38.000 0.009 0.000 1.057 42 I HN 0.212 nan 8.210 nan 0.000 0.413 43 A N -0.131 122.722 122.820 0.056 0.000 1.933 43 A HA -0.257 4.058 4.320 -0.009 0.000 0.218 43 A C 2.371 179.995 177.584 0.066 0.000 1.175 43 A CA 1.654 53.719 52.037 0.046 0.000 0.628 43 A CB -1.027 17.978 19.000 0.009 0.000 0.814 43 A HN 0.501 nan 8.150 nan 0.000 0.444 44 H N -1.923 117.162 119.070 0.024 0.000 2.363 44 H HA -0.119 4.432 4.556 -0.009 0.000 0.301 44 H C 1.944 177.294 175.328 0.036 0.000 1.074 44 H CA 1.789 57.850 56.048 0.021 0.000 1.354 44 H CB -0.333 29.439 29.762 0.017 0.000 1.397 44 H HN 0.483 nan 8.280 nan 0.000 0.516 45 F N 2.400 122.362 119.950 0.021 0.000 2.087 45 F HA -0.255 4.267 4.527 -0.009 0.000 0.299 45 F C 1.894 177.640 175.800 -0.090 0.000 1.100 45 F CA 2.034 60.016 58.000 -0.031 0.000 1.226 45 F CB -0.408 38.587 39.000 -0.009 0.000 0.983 45 F HN 0.110 nan 8.300 nan 0.000 0.479 46 D N -0.051 120.323 120.400 -0.043 0.000 2.311 46 D HA -0.137 4.497 4.640 -0.009 0.000 0.212 46 D C 1.819 177.987 176.300 -0.219 0.000 0.972 46 D CA 1.122 55.041 54.000 -0.135 0.000 0.887 46 D CB -0.268 40.528 40.800 -0.005 0.000 0.915 46 D HN 0.405 nan 8.370 nan 0.000 0.497 47 R N -0.143 120.198 120.500 -0.266 0.000 2.543 47 R HA 0.175 4.510 4.340 -0.009 0.000 0.323 47 R C 1.354 177.438 176.300 -0.360 0.000 1.002 47 R CA -0.114 55.821 56.100 -0.276 0.000 1.106 47 R CB 0.613 30.763 30.300 -0.250 0.000 1.280 47 R HN 0.137 nan 8.270 nan 0.000 0.549 48 E N 0.604 120.550 120.200 -0.423 0.000 2.110 48 E HA -0.076 4.269 4.350 -0.009 0.000 0.193 48 E C 0.247 176.616 176.600 -0.386 0.000 0.988 48 E CA 0.871 57.004 56.400 -0.444 0.000 0.804 48 E CB 0.259 29.695 29.700 -0.441 0.000 0.745 48 E HN 0.059 nan 8.360 nan 0.000 0.458 49 R N 1.082 121.413 120.500 -0.280 0.000 2.441 49 R HA 0.214 4.549 4.340 -0.009 0.000 0.284 49 R C 0.208 176.467 176.300 -0.068 0.000 1.070 49 R CA -0.172 55.831 56.100 -0.161 0.000 1.047 49 R CB 0.992 31.206 30.300 -0.143 0.000 1.016 49 R HN -0.032 nan 8.270 nan 0.000 0.477 50 V N -0.656 119.274 119.914 0.026 0.000 3.074 50 V HA 0.634 4.749 4.120 -0.009 0.000 0.314 50 V C -2.332 173.760 176.094 -0.003 0.000 1.117 50 V CA -2.561 59.753 62.300 0.024 0.000 1.014 50 V CB 1.415 33.295 31.823 0.096 0.000 1.057 50 V HN 0.535 nan 8.190 nan 0.000 0.438 51 P HA 0.224 nan 4.420 nan 0.000 0.266 51 P C -0.265 177.019 177.300 -0.026 0.000 1.195 51 P CA 0.006 63.078 63.100 -0.047 0.000 0.768 51 P CB 0.241 31.874 31.700 -0.112 0.000 0.838 52 E N 2.353 122.555 120.200 0.004 0.000 2.391 52 E HA 0.188 4.533 4.350 -0.009 0.000 0.255 52 E C -0.421 176.188 176.600 0.016 0.000 1.187 52 E CA -0.841 55.571 56.400 0.020 0.000 0.941 52 E CB 0.576 30.295 29.700 0.031 0.000 1.010 52 E HN 0.229 nan 8.360 nan 0.000 0.458 53 R N 0.567 121.084 120.500 0.028 0.000 2.640 53 R HA -0.045 4.290 4.340 -0.009 0.000 0.270 53 R C 1.117 177.444 176.300 0.046 0.000 1.024 53 R CA 0.281 56.399 56.100 0.030 0.000 1.085 53 R CB 0.742 31.080 30.300 0.064 0.000 0.963 53 R HN 0.586 nan 8.270 nan 0.000 0.426 54 V N 4.241 124.178 119.914 0.037 0.000 2.332 54 V HA -0.137 3.978 4.120 -0.009 0.000 0.248 54 V C 0.603 176.733 176.094 0.060 0.000 1.055 54 V CA 2.061 64.389 62.300 0.046 0.000 1.038 54 V CB 0.174 32.022 31.823 0.041 0.000 0.651 54 V HN 0.530 nan 8.190 nan 0.000 0.450 55 V N -4.348 115.631 119.914 0.108 0.000 3.102 55 V HA 0.593 4.708 4.120 -0.009 0.000 0.312 55 V C 0.321 176.568 176.094 0.254 0.000 1.135 55 V CA -0.429 61.959 62.300 0.148 0.000 1.022 55 V CB 1.382 33.342 31.823 0.227 0.000 1.056 55 V HN 0.514 nan 8.190 nan 0.000 0.436 56 H N 0.106 119.232 119.070 0.093 0.000 2.862 56 H HA -0.214 4.337 4.556 -0.009 0.000 0.290 56 H C 1.506 176.891 175.328 0.096 0.000 1.211 56 H CA 0.796 56.906 56.048 0.103 0.000 1.140 56 H CB -1.197 28.623 29.762 0.096 0.000 1.341 56 H HN 1.179 nan 8.280 nan 0.000 0.392 57 A N 0.817 123.738 122.820 0.169 0.000 1.933 57 A HA -0.111 4.203 4.320 -0.009 0.000 0.218 57 A C 1.705 179.397 177.584 0.179 0.000 1.175 57 A CA 1.345 53.468 52.037 0.144 0.000 0.628 57 A CB -0.089 18.972 19.000 0.102 0.000 0.814 57 A HN 0.271 nan 8.150 nan 0.000 0.444 58 R N 0.367 120.986 120.500 0.197 0.000 2.267 58 R HA 0.495 4.829 4.340 -0.009 0.000 0.319 58 R C 0.010 176.474 176.300 0.273 0.000 1.067 58 R CA 0.773 57.022 56.100 0.248 0.000 0.936 58 R CB -0.003 30.447 30.300 0.251 0.000 1.006 58 R HN 0.397 nan 8.270 nan 0.000 0.452 59 G N 2.362 111.351 108.800 0.314 0.000 2.550 59 G HA2 0.482 4.436 3.960 -0.009 0.000 0.293 59 G HA3 0.482 4.436 3.960 -0.009 0.000 0.293 59 G C -2.107 173.014 174.900 0.368 0.000 1.402 59 G CA -0.678 44.571 45.100 0.249 0.000 0.784 59 G HN 0.450 nan 8.290 nan 0.000 0.482 60 F N 0.359 120.306 119.950 -0.005 0.000 2.573 60 F HA 0.715 5.237 4.527 -0.009 0.000 0.316 60 F C -0.050 175.644 175.800 -0.177 0.000 1.148 60 F CA -0.302 57.743 58.000 0.074 0.000 0.940 60 F CB 2.049 41.182 39.000 0.221 0.000 1.214 60 F HN 0.824 nan 8.300 nan 0.000 0.448 61 G N 3.209 111.391 108.800 -1.029 0.000 2.482 61 G HA2 0.828 4.783 3.960 -0.009 0.000 0.317 61 G HA3 0.828 4.783 3.960 -0.009 0.000 0.317 61 G C -1.945 172.214 174.900 -1.234 0.000 1.241 61 G CA -0.534 43.889 45.100 -1.129 0.000 0.967 61 G HN 1.109 nan 8.290 nan 0.000 0.482 62 A N 1.519 123.631 122.820 -1.179 0.000 2.587 62 A HA 0.782 5.096 4.320 -0.009 0.000 0.293 62 A C -0.900 176.303 177.584 -0.635 0.000 1.087 62 A CA -0.800 50.854 52.037 -0.638 0.000 0.692 62 A CB 1.186 20.052 19.000 -0.223 0.000 1.291 62 A HN 0.738 nan 8.150 nan 0.000 0.407 63 H N -0.243 118.774 119.070 -0.088 0.000 2.482 63 H HA 0.674 5.224 4.556 -0.009 0.000 0.344 63 H C 0.611 175.881 175.328 -0.096 0.000 1.151 63 H CA 0.837 56.891 56.048 0.009 0.000 1.300 63 H CB 1.825 31.623 29.762 0.061 0.000 1.494 63 H HN 1.103 nan 8.280 nan 0.000 0.542 64 G N 0.151 108.977 108.800 0.044 0.000 2.588 64 G HA2 0.359 4.313 3.960 -0.009 0.000 0.281 64 G HA3 0.359 4.313 3.960 -0.009 0.000 0.281 64 G C -1.580 173.316 174.900 -0.007 0.000 1.223 64 G CA -0.160 44.922 45.100 -0.030 0.000 0.871 64 G HN 0.565 nan 8.290 nan 0.000 0.492 65 V N -0.076 119.839 119.914 0.000 0.000 2.841 65 V HA 0.784 4.899 4.120 -0.009 0.000 0.310 65 V C -1.788 174.378 176.094 0.120 0.000 1.090 65 V CA -0.970 61.354 62.300 0.040 0.000 0.930 65 V CB 1.748 33.579 31.823 0.012 0.000 1.014 65 V HN 0.908 nan 8.190 nan 0.000 0.425 66 F N 5.857 125.827 119.950 0.034 0.000 2.443 66 F HA 0.785 5.306 4.527 -0.009 0.000 0.335 66 F C -0.249 175.666 175.800 0.193 0.000 1.104 66 F CA -0.494 57.602 58.000 0.160 0.000 1.013 66 F CB 1.547 40.711 39.000 0.274 0.000 1.136 66 F HN 0.503 nan 8.300 nan 0.000 0.470 67 K N 6.360 126.355 120.400 -0.676 0.000 2.450 67 K HA 0.482 4.796 4.320 -0.009 0.000 0.257 67 K C -1.750 174.523 176.600 -0.546 0.000 0.953 67 K CA -0.771 55.286 56.287 -0.383 0.000 0.844 67 K CB 1.449 33.842 32.500 -0.178 0.000 1.103 67 K HN 0.545 nan 8.250 nan 0.000 0.429 68 V N 4.603 124.423 119.914 -0.156 0.000 2.508 68 V HA 0.273 4.388 4.120 -0.009 0.000 0.281 68 V C 0.611 176.675 176.094 -0.049 0.000 1.041 68 V CA 0.388 62.671 62.300 -0.028 0.000 1.016 68 V CB 1.199 33.132 31.823 0.183 0.000 0.984 68 V HN 1.010 nan 8.190 nan 0.000 0.478 69 K N 4.921 125.282 120.400 -0.066 0.000 2.190 69 K HA 0.276 4.591 4.320 -0.009 0.000 0.202 69 K C 0.445 177.062 176.600 0.029 0.000 1.045 69 K CA 0.651 56.940 56.287 0.003 0.000 0.976 69 K CB 0.246 32.797 32.500 0.084 0.000 0.849 69 K HN 0.862 nan 8.250 nan 0.000 0.468 70 N N 0.252 118.961 118.700 0.014 0.000 2.407 70 N HA 0.134 4.868 4.740 -0.009 0.000 0.277 70 N C -1.594 173.919 175.510 0.006 0.000 0.995 70 N CA -0.379 52.689 53.050 0.030 0.000 0.903 70 N CB 2.030 40.556 38.487 0.065 0.000 1.218 70 N HN -0.016 nan 8.380 nan 0.000 0.487 71 S N 1.699 117.394 115.700 -0.008 0.000 2.561 71 S HA -0.023 4.442 4.470 -0.009 0.000 0.294 71 S C 0.705 175.284 174.600 -0.035 0.000 1.294 71 S CA 0.316 58.491 58.200 -0.041 0.000 1.055 71 S CB 0.199 63.373 63.200 -0.042 0.000 0.819 71 S HN 0.508 nan 8.310 nan 0.000 0.503 72 M N 3.914 123.469 119.600 -0.076 0.000 2.502 72 M HA 0.111 4.586 4.480 -0.009 0.000 0.351 72 M C 1.458 177.711 176.300 -0.078 0.000 1.118 72 M CA 0.004 55.294 55.300 -0.017 0.000 0.952 72 M CB -0.115 32.465 32.600 -0.033 0.000 1.424 72 M HN 0.840 nan 8.290 nan 0.000 0.529 73 K N 0.688 121.017 120.400 -0.119 0.000 2.152 73 K HA -0.167 4.148 4.320 -0.009 0.000 0.206 73 K C 1.747 178.278 176.600 -0.115 0.000 1.048 73 K CA 1.416 57.631 56.287 -0.120 0.000 0.933 73 K CB -0.190 32.250 32.500 -0.100 0.000 0.721 73 K HN 0.189 nan 8.250 nan 0.000 0.447 74 K N 0.224 120.511 120.400 -0.189 0.000 2.089 74 K HA -0.217 4.098 4.320 -0.009 0.000 0.210 74 K C 1.267 177.725 176.600 -0.237 0.000 1.048 74 K CA 1.977 58.079 56.287 -0.308 0.000 0.926 74 K CB -0.147 32.000 32.500 -0.588 0.000 0.714 74 K HN 0.474 nan 8.250 nan 0.000 0.448 75 Y N -1.546 118.793 120.300 0.066 0.000 2.558 75 Y HA 0.138 4.682 4.550 -0.010 0.000 0.273 75 Y C 0.897 176.860 175.900 0.105 0.000 1.100 75 Y CA -0.166 58.022 58.100 0.148 0.000 1.276 75 Y CB 1.196 39.847 38.460 0.318 0.000 1.196 75 Y HN -0.070 nan 8.280 nan 0.000 0.527 76 T N 0.153 114.746 114.554 0.066 0.000 2.916 76 T HA 0.258 4.602 4.350 -0.009 0.000 0.305 76 T C -0.460 174.097 174.700 -0.239 0.000 1.119 76 T CA -0.885 61.102 62.100 -0.188 0.000 1.008 76 T CB 1.401 69.847 68.868 -0.704 0.000 1.129 76 T HN 0.273 nan 8.240 nan 0.000 0.480 77 K N 2.168 122.433 120.400 -0.224 0.000 2.446 77 K HA 0.649 4.964 4.320 -0.009 0.000 0.203 77 K C 0.596 177.057 176.600 -0.233 0.000 1.027 77 K CA -0.452 55.719 56.287 -0.192 0.000 1.166 77 K CB 0.310 32.727 32.500 -0.138 0.000 0.869 77 K HN 0.483 nan 8.250 nan 0.000 0.504 78 A N 1.288 123.882 122.820 -0.377 0.000 2.545 78 A HA 0.332 4.647 4.320 -0.009 0.000 0.253 78 A C 1.545 178.949 177.584 -0.300 0.000 1.074 78 A CA 0.367 52.169 52.037 -0.392 0.000 0.760 78 A CB 0.122 18.695 19.000 -0.711 0.000 1.005 78 A HN 0.511 nan 8.150 nan 0.000 0.506 79 A N 3.462 126.224 122.820 -0.095 0.000 1.892 79 A HA -0.140 4.175 4.320 -0.009 0.000 0.218 79 A C 1.721 179.305 177.584 0.001 0.000 1.188 79 A CA 2.100 54.132 52.037 -0.010 0.000 0.631 79 A CB -0.921 18.133 19.000 0.090 0.000 0.822 79 A HN 1.737 nan 8.150 nan 0.000 0.447 80 F N -1.790 118.122 119.950 -0.064 0.000 2.451 80 F HA 0.130 4.651 4.527 -0.010 0.000 0.299 80 F C 1.138 176.927 175.800 -0.018 0.000 1.101 80 F CA 0.615 58.607 58.000 -0.013 0.000 1.436 80 F CB -0.253 38.773 39.000 0.043 0.000 1.074 80 F HN 0.068 nan 8.300 nan 0.000 0.553 81 L N 0.642 121.423 121.223 -0.736 0.000 2.667 81 L HA 0.207 4.541 4.340 -0.009 0.000 0.232 81 L C 1.796 178.475 176.870 -0.319 0.000 1.138 81 L CA 0.393 54.841 54.840 -0.653 0.000 0.921 81 L CB -0.712 40.755 42.059 -0.986 0.000 1.180 81 L HN 0.162 nan 8.230 nan 0.000 0.487 82 Q N 0.170 119.842 119.800 -0.213 0.000 2.083 82 Q HA 0.040 4.375 4.340 -0.009 0.000 0.198 82 Q C 0.096 176.050 176.000 -0.077 0.000 0.969 82 Q CA 0.977 56.702 55.803 -0.129 0.000 0.838 82 Q CB 0.318 29.001 28.738 -0.091 0.000 0.900 82 Q HN 0.381 nan 8.270 nan 0.000 0.436 83 E N 1.387 121.559 120.200 -0.046 0.000 2.234 83 E HA 0.163 4.508 4.350 -0.009 0.000 0.266 83 E C -0.518 176.081 176.600 -0.001 0.000 0.877 83 E CA -0.322 56.068 56.400 -0.017 0.000 0.758 83 E CB 1.560 31.259 29.700 -0.002 0.000 1.170 83 E HN 0.252 nan 8.360 nan 0.000 0.415 84 E N 0.415 120.615 120.200 0.001 0.000 2.415 84 E HA 0.285 4.629 4.350 -0.009 0.000 0.262 84 E C 0.668 177.278 176.600 0.017 0.000 1.038 84 E CA 0.263 56.670 56.400 0.010 0.000 0.921 84 E CB 0.457 30.165 29.700 0.013 0.000 0.950 84 E HN 0.712 nan 8.360 nan 0.000 0.438 85 G N 2.109 110.920 108.800 0.018 0.000 2.213 85 G HA2 -0.335 3.620 3.960 -0.009 0.000 0.236 85 G HA3 -0.335 3.620 3.960 -0.009 0.000 0.236 85 G C 0.455 175.375 174.900 0.034 0.000 0.991 85 G CA 0.303 45.415 45.100 0.020 0.000 0.629 85 G HN 1.021 nan 8.290 nan 0.000 0.517 86 T N 0.375 114.964 114.554 0.059 0.000 2.901 86 T HA 0.518 4.863 4.350 -0.009 0.000 0.301 86 T C -0.009 174.766 174.700 0.124 0.000 1.012 86 T CA 0.580 62.735 62.100 0.092 0.000 1.135 86 T CB 0.982 69.923 68.868 0.123 0.000 0.936 86 T HN 0.431 nan 8.240 nan 0.000 0.539 87 E N 2.214 122.475 120.200 0.100 0.000 2.199 87 E HA 0.555 4.899 4.350 -0.009 0.000 0.269 87 E C -0.959 175.708 176.600 0.111 0.000 0.899 87 E CA -1.142 55.320 56.400 0.102 0.000 0.772 87 E CB 2.344 32.070 29.700 0.042 0.000 1.155 87 E HN 0.547 nan 8.360 nan 0.000 0.408 88 V N 2.577 122.598 119.914 0.179 0.000 2.588 88 V HA 0.446 4.561 4.120 -0.009 0.000 0.304 88 V C -2.741 173.404 176.094 0.085 0.000 1.042 88 V CA -2.640 59.727 62.300 0.112 0.000 0.877 88 V CB 1.952 33.855 31.823 0.132 0.000 0.996 88 V HN 0.446 nan 8.190 nan 0.000 0.425 89 P HA 0.293 nan 4.420 nan 0.000 0.268 89 P C -0.796 176.602 177.300 0.163 0.000 1.205 89 P CA 0.233 63.377 63.100 0.074 0.000 0.771 89 P CB 0.954 32.663 31.700 0.015 0.000 0.858 90 V N 0.583 120.546 119.914 0.080 0.000 2.914 90 V HA 0.710 4.825 4.120 -0.009 0.000 0.314 90 V C -1.184 174.987 176.094 0.129 0.000 1.084 90 V CA -1.053 61.215 62.300 -0.053 0.000 0.963 90 V CB 2.152 33.689 31.823 -0.478 0.000 1.025 90 V HN 0.324 nan 8.190 nan 0.000 0.432 91 F N 2.654 122.565 119.950 -0.065 0.000 2.507 91 F HA 0.911 5.433 4.527 -0.009 0.000 0.325 91 F C 0.112 175.728 175.800 -0.308 0.000 1.116 91 F CA -0.253 57.623 58.000 -0.206 0.000 0.930 91 F CB 1.533 40.443 39.000 -0.149 0.000 1.146 91 F HN 1.045 nan 8.300 nan 0.000 0.447 92 A N 6.190 128.341 122.820 -1.115 0.000 2.356 92 A HA 0.871 5.186 4.320 -0.009 0.000 0.323 92 A C -1.206 175.540 177.584 -1.396 0.000 1.119 92 A CA -0.891 50.446 52.037 -1.166 0.000 0.790 92 A CB 1.471 19.742 19.000 -1.215 0.000 1.273 92 A HN 0.861 nan 8.150 nan 0.000 0.452 93 R N 1.393 121.111 120.500 -1.303 0.000 2.533 93 R HA 0.623 4.958 4.340 -0.009 0.000 0.288 93 R C -2.036 173.593 176.300 -1.119 0.000 1.039 93 R CA -0.347 55.152 56.100 -1.001 0.000 0.909 93 R CB 1.015 31.075 30.300 -0.400 0.000 1.195 93 R HN 0.621 nan 8.270 nan 0.000 0.438 94 F N 1.733 121.353 119.950 -0.552 0.000 2.507 94 F HA 0.639 5.161 4.527 -0.008 0.000 0.327 94 F C 0.265 175.706 175.800 -0.598 0.000 1.068 94 F CA -0.573 57.033 58.000 -0.657 0.000 0.965 94 F CB 2.420 40.861 39.000 -0.932 0.000 1.192 94 F HN 0.628 nan 8.300 nan 0.000 0.476 95 S N -0.985 114.640 115.700 -0.125 0.000 2.587 95 S HA 0.619 5.084 4.470 -0.009 0.000 0.269 95 S C -0.684 174.092 174.600 0.294 0.000 1.154 95 S CA -0.869 57.409 58.200 0.130 0.000 0.824 95 S CB 1.321 64.668 63.200 0.244 0.000 1.118 95 S HN 0.757 nan 8.310 nan 0.000 0.462 96 T N -1.065 113.649 114.554 0.267 0.000 2.891 96 T HA 0.719 5.064 4.350 -0.009 0.000 0.294 96 T C 0.874 175.515 174.700 -0.099 0.000 1.065 96 T CA -0.042 62.151 62.100 0.155 0.000 0.936 96 T CB 0.261 69.233 68.868 0.174 0.000 1.415 96 T HN 0.684 nan 8.240 nan 0.000 0.572 97 V N -0.647 119.155 119.914 -0.186 0.000 3.001 97 V HA 0.176 4.291 4.120 -0.009 0.000 0.228 97 V C 2.332 178.324 176.094 -0.169 0.000 1.204 97 V CA -0.104 61.936 62.300 -0.432 0.000 1.247 97 V CB -0.356 31.268 31.823 -0.331 0.000 1.093 97 V HN 0.688 nan 8.190 nan 0.000 0.504 98 I N -0.026 120.485 120.570 -0.099 0.000 2.277 98 I HA 0.038 4.203 4.170 -0.009 0.000 0.243 98 I C 1.345 177.351 176.117 -0.186 0.000 1.094 98 I CA 1.226 62.421 61.300 -0.176 0.000 1.393 98 I CB -1.042 36.800 38.000 -0.262 0.000 1.078 98 I HN 0.354 nan 8.210 nan 0.000 0.417 99 H N -0.406 118.663 119.070 -0.001 0.000 2.534 99 H HA 0.478 5.029 4.556 -0.009 0.000 0.364 99 H C 0.834 176.191 175.328 0.048 0.000 1.328 99 H CA 0.214 56.278 56.048 0.027 0.000 1.415 99 H CB 0.288 30.077 29.762 0.045 0.000 1.573 99 H HN 0.155 nan 8.280 nan 0.000 0.601 100 G N -0.948 107.966 108.800 0.191 0.000 2.531 100 G HA2 0.196 4.151 3.960 -0.009 0.000 0.281 100 G HA3 0.196 4.151 3.960 -0.009 0.000 0.281 100 G C -0.293 174.689 174.900 0.136 0.000 1.382 100 G CA -0.581 44.591 45.100 0.120 0.000 1.045 100 G HN 0.552 nan 8.290 nan 0.000 0.533 101 T N -0.331 114.270 114.554 0.078 0.000 2.928 101 T HA 0.179 4.524 4.350 -0.009 0.000 0.305 101 T C 0.714 175.480 174.700 0.111 0.000 1.035 101 T CA 1.059 63.186 62.100 0.044 0.000 1.145 101 T CB -0.382 68.413 68.868 -0.121 0.000 0.963 101 T HN 0.724 nan 8.240 nan 0.000 0.545 102 H N 0.096 119.274 119.070 0.180 0.000 3.237 102 H HA -0.147 4.404 4.556 -0.009 0.000 0.231 102 H C 0.605 176.083 175.328 0.249 0.000 1.148 102 H CA 0.261 56.463 56.048 0.256 0.000 1.155 102 H CB -1.321 28.570 29.762 0.214 0.000 1.210 102 H HN 0.485 nan 8.280 nan 0.000 0.317 103 S N 1.331 117.213 115.700 0.303 0.000 2.572 103 S HA 0.184 4.649 4.470 -0.009 0.000 0.279 103 S C -2.068 172.686 174.600 0.256 0.000 1.341 103 S CA -1.089 57.237 58.200 0.211 0.000 1.043 103 S CB 0.841 64.159 63.200 0.197 0.000 0.887 103 S HN 0.055 nan 8.310 nan 0.000 0.516 104 P HA 0.129 nan 4.420 nan 0.000 0.269 104 P C -0.277 177.132 177.300 0.183 0.000 1.209 104 P CA 0.034 63.276 63.100 0.236 0.000 0.776 104 P CB 0.282 32.074 31.700 0.153 0.000 0.876 105 E N 0.030 120.338 120.200 0.180 0.000 2.445 105 E HA -0.017 4.328 4.350 -0.009 0.000 0.189 105 E C 0.535 177.254 176.600 0.199 0.000 1.069 105 E CA 0.410 56.874 56.400 0.108 0.000 0.871 105 E CB -0.293 29.328 29.700 -0.130 0.000 0.991 105 E HN 0.546 nan 8.360 nan 0.000 0.481 106 T N -1.982 112.695 114.554 0.204 0.000 3.092 106 T HA 0.238 4.582 4.350 -0.009 0.000 0.258 106 T C 0.677 175.432 174.700 0.091 0.000 1.031 106 T CA -0.312 61.880 62.100 0.155 0.000 0.925 106 T CB 0.045 68.950 68.868 0.063 0.000 1.036 106 T HN -0.054 nan 8.240 nan 0.000 0.544 107 L N 1.547 122.821 121.223 0.084 0.000 2.418 107 L HA 0.459 4.793 4.340 -0.009 0.000 0.265 107 L C 0.863 177.774 176.870 0.069 0.000 1.143 107 L CA -1.151 53.724 54.840 0.058 0.000 0.809 107 L CB 0.673 42.746 42.059 0.023 0.000 1.124 107 L HN 0.116 nan 8.230 nan 0.000 0.456 108 R N 1.898 122.430 120.500 0.053 0.000 2.421 108 R HA 0.162 4.497 4.340 -0.009 0.000 0.305 108 R C -1.320 174.977 176.300 -0.006 0.000 1.039 108 R CA 0.360 56.468 56.100 0.013 0.000 1.003 108 R CB 0.243 30.532 30.300 -0.019 0.000 0.959 108 R HN 0.590 nan 8.270 nan 0.000 0.427 109 D N 3.801 124.202 120.400 0.002 0.000 2.720 109 D HA 0.221 4.856 4.640 -0.009 0.000 0.239 109 D C -2.792 173.540 176.300 0.054 0.000 1.218 109 D CA -1.200 52.810 54.000 0.016 0.000 0.748 109 D CB 1.917 42.745 40.800 0.047 0.000 1.387 109 D HN 0.241 nan 8.370 nan 0.000 0.438 110 P HA 0.307 nan 4.420 nan 0.000 0.270 110 P C -0.601 176.806 177.300 0.178 0.000 1.227 110 P CA -0.271 62.910 63.100 0.134 0.000 0.788 110 P CB 0.566 32.388 31.700 0.204 0.000 0.926 111 R N 0.592 121.232 120.500 0.234 0.000 2.343 111 R HA 0.559 4.894 4.340 -0.009 0.000 0.320 111 R C 0.310 176.822 176.300 0.354 0.000 0.956 111 R CA -0.360 55.918 56.100 0.297 0.000 0.836 111 R CB 0.625 31.115 30.300 0.317 0.000 1.151 111 R HN 0.596 nan 8.270 nan 0.000 0.450 112 G N 2.017 111.066 108.800 0.415 0.000 2.432 112 G HA2 0.232 4.187 3.960 -0.009 0.000 0.239 112 G HA3 0.232 4.187 3.960 -0.009 0.000 0.239 112 G C -1.070 173.977 174.900 0.245 0.000 1.291 112 G CA 0.096 45.392 45.100 0.327 0.000 0.863 112 G HN 0.467 nan 8.290 nan 0.000 0.560 113 F N 2.056 122.008 119.950 0.003 0.000 2.810 113 F HA 0.492 5.013 4.527 -0.009 0.000 0.373 113 F C -0.146 175.500 175.800 -0.256 0.000 1.174 113 F CA -1.125 56.870 58.000 -0.007 0.000 1.141 113 F CB 1.293 40.373 39.000 0.134 0.000 1.420 113 F HN 0.314 nan 8.300 nan 0.000 0.518 114 S N 3.655 119.063 115.700 -0.487 0.000 2.473 114 S HA 0.820 5.284 4.470 -0.009 0.000 0.307 114 S C -1.012 173.019 174.600 -0.949 0.000 1.094 114 S CA -0.681 57.018 58.200 -0.835 0.000 1.070 114 S CB 2.042 64.304 63.200 -1.562 0.000 1.019 114 S HN 0.263 nan 8.310 nan 0.000 0.480 115 V N 3.552 123.115 119.914 -0.587 0.000 2.524 115 V HA 0.411 4.525 4.120 -0.009 0.000 0.297 115 V C -0.260 175.693 176.094 -0.235 0.000 1.035 115 V CA -0.817 61.200 62.300 -0.472 0.000 0.867 115 V CB 1.726 33.272 31.823 -0.460 0.000 1.004 115 V HN 0.787 nan 8.190 nan 0.000 0.426 116 K N 4.315 124.660 120.400 -0.093 0.000 2.248 116 K HA 0.569 4.883 4.320 -0.009 0.000 0.281 116 K C -1.501 174.850 176.600 -0.414 0.000 1.054 116 K CA -0.393 55.813 56.287 -0.135 0.000 0.903 116 K CB 0.610 32.995 32.500 -0.192 0.000 1.077 116 K HN 0.443 nan 8.250 nan 0.000 0.474 117 F N 4.372 124.068 119.950 -0.423 0.000 2.388 117 F HA 0.255 4.776 4.527 -0.009 0.000 0.358 117 F C -0.592 175.021 175.800 -0.311 0.000 1.122 117 F CA -0.626 57.180 58.000 -0.324 0.000 1.056 117 F CB 0.807 39.599 39.000 -0.348 0.000 1.155 117 F HN 0.419 nan 8.300 nan 0.000 0.461 118 Y N 2.020 122.346 120.300 0.042 0.000 2.691 118 Y HA 0.278 4.822 4.550 -0.009 0.000 0.338 118 Y C 0.855 176.757 175.900 0.004 0.000 1.148 118 Y CA -0.445 57.687 58.100 0.053 0.000 1.430 118 Y CB -0.021 38.475 38.460 0.061 0.000 1.303 118 Y HN 0.461 nan 8.280 nan 0.000 0.499 119 T N 1.016 115.644 114.554 0.124 0.000 2.899 119 T HA 0.029 4.374 4.350 -0.009 0.000 0.284 119 T C 1.313 176.111 174.700 0.164 0.000 1.004 119 T CA -0.544 61.591 62.100 0.059 0.000 1.043 119 T CB 1.120 70.006 68.868 0.030 0.000 1.013 119 T HN 0.682 nan 8.240 nan 0.000 0.518 120 E N 0.690 120.972 120.200 0.138 0.000 2.265 120 E HA -0.104 4.240 4.350 -0.009 0.000 0.196 120 E C 0.843 177.562 176.600 0.199 0.000 0.996 120 E CA 1.132 57.682 56.400 0.250 0.000 0.832 120 E CB 0.205 30.015 29.700 0.184 0.000 0.756 120 E HN 0.561 nan 8.360 nan 0.000 0.491 121 E N -0.403 119.884 120.200 0.145 0.000 2.499 121 E HA 0.268 4.612 4.350 -0.009 0.000 0.207 121 E C -0.117 176.515 176.600 0.054 0.000 1.034 121 E CA 0.028 56.473 56.400 0.076 0.000 1.098 121 E CB 1.053 30.809 29.700 0.093 0.000 1.148 121 E HN 0.287 nan 8.360 nan 0.000 0.447 122 G N 1.307 110.161 108.800 0.091 0.000 2.541 122 G HA2 -0.181 3.774 3.960 -0.009 0.000 0.686 122 G HA3 -0.181 3.774 3.960 -0.009 0.000 0.686 122 G C -0.938 174.018 174.900 0.093 0.000 1.286 122 G CA -1.151 43.994 45.100 0.074 0.000 0.894 122 G HN 0.116 nan 8.290 nan 0.000 0.575 123 N N -0.450 118.289 118.700 0.065 0.000 2.514 123 N HA 0.511 5.245 4.740 -0.009 0.000 0.277 123 N C -0.695 174.888 175.510 0.121 0.000 1.126 123 N CA -0.071 53.000 53.050 0.034 0.000 0.978 123 N CB 1.129 39.578 38.487 -0.063 0.000 1.106 123 N HN 0.670 nan 8.380 nan 0.000 0.461 124 W N 2.700 123.950 121.300 -0.082 0.000 2.475 124 W HA 0.367 5.021 4.660 -0.009 0.000 0.317 124 W C -1.307 175.220 176.519 0.014 0.000 1.046 124 W CA -0.890 56.404 57.345 -0.085 0.000 1.215 124 W CB 0.736 30.067 29.460 -0.215 0.000 1.335 124 W HN 0.345 nan 8.180 nan 0.000 0.471 125 D N 5.988 126.274 120.400 -0.188 0.000 2.280 125 D HA 0.138 4.772 4.640 -0.009 0.000 0.236 125 D C -0.920 174.969 176.300 -0.684 0.000 1.082 125 D CA -0.250 53.561 54.000 -0.314 0.000 0.834 125 D CB 0.983 41.755 40.800 -0.046 0.000 1.100 125 D HN 0.275 nan 8.370 nan 0.000 0.486 126 F N 2.971 122.381 119.950 -0.900 0.000 2.424 126 F HA 0.309 4.830 4.527 -0.009 0.000 0.356 126 F C -0.533 175.017 175.800 -0.418 0.000 1.110 126 F CA -0.399 57.223 58.000 -0.630 0.000 1.161 126 F CB 0.664 39.390 39.000 -0.457 0.000 1.115 126 F HN 0.016 nan 8.300 nan 0.000 0.507 127 V N 7.079 126.446 119.914 -0.912 0.000 2.380 127 V HA 0.588 4.703 4.120 -0.009 0.000 0.272 127 V C 0.212 175.847 176.094 -0.764 0.000 1.011 127 V CA -0.266 61.609 62.300 -0.708 0.000 0.826 127 V CB 0.468 31.946 31.823 -0.576 0.000 1.040 127 V HN 1.017 nan 8.190 nan 0.000 0.441 128 G N 2.765 111.143 108.800 -0.704 0.000 3.140 128 G HA2 0.682 4.636 3.960 -0.009 0.000 0.271 128 G HA3 0.682 4.636 3.960 -0.009 0.000 0.271 128 G C -1.160 173.725 174.900 -0.025 0.000 1.370 128 G CA -0.603 44.246 45.100 -0.417 0.000 1.014 128 G HN 0.431 nan 8.290 nan 0.000 0.541 129 N N -0.541 118.198 118.700 0.066 0.000 2.453 129 N HA 0.226 4.961 4.740 -0.009 0.000 0.290 129 N C 1.127 176.763 175.510 0.210 0.000 1.250 129 N CA -0.715 52.452 53.050 0.195 0.000 0.815 129 N CB 1.781 40.388 38.487 0.199 0.000 1.381 129 N HN 0.535 nan 8.380 nan 0.000 0.510 130 N N 0.438 119.291 118.700 0.255 0.000 2.120 130 N HA -0.101 4.633 4.740 -0.009 0.000 0.188 130 N C 0.264 175.858 175.510 0.140 0.000 1.024 130 N CA 1.109 54.300 53.050 0.235 0.000 0.852 130 N CB -0.387 38.257 38.487 0.262 0.000 1.003 130 N HN 0.456 nan 8.380 nan 0.000 0.424 131 L N 1.875 123.154 121.223 0.093 0.000 2.380 131 L HA 0.194 4.529 4.340 -0.009 0.000 0.273 131 L C -1.185 175.633 176.870 -0.087 0.000 1.138 131 L CA -1.375 53.462 54.840 -0.006 0.000 0.832 131 L CB 0.878 42.907 42.059 -0.051 0.000 1.124 131 L HN 0.063 nan 8.230 nan 0.000 0.454 132 P HA -0.009 nan 4.420 nan 0.000 0.245 132 P C -0.016 177.120 177.300 -0.274 0.000 1.206 132 P CA 0.511 63.498 63.100 -0.187 0.000 0.781 132 P CB 0.318 31.946 31.700 -0.120 0.000 0.994 133 V N -4.620 115.090 119.914 -0.340 0.000 3.158 133 V HA 0.684 4.799 4.120 -0.009 0.000 0.311 133 V C -0.924 175.099 176.094 -0.118 0.000 1.181 133 V CA -1.420 60.722 62.300 -0.263 0.000 1.054 133 V CB 2.112 33.751 31.823 -0.306 0.000 1.085 133 V HN -0.136 nan 8.190 nan 0.000 0.446 134 F N -0.680 119.121 119.950 -0.249 0.000 2.618 134 F HA 0.657 5.179 4.527 -0.008 0.000 0.332 134 F C 0.685 176.417 175.800 -0.113 0.000 1.061 134 F CA -0.910 56.986 58.000 -0.173 0.000 0.974 134 F CB 2.217 41.206 39.000 -0.018 0.000 1.310 134 F HN 0.523 nan 8.300 nan 0.000 0.491 135 F N 2.159 121.831 119.950 -0.463 0.000 2.293 135 F HA 0.047 4.568 4.527 -0.009 0.000 0.300 135 F C 0.612 176.429 175.800 0.029 0.000 1.086 135 F CA 0.704 58.572 58.000 -0.219 0.000 1.375 135 F CB -0.322 38.494 39.000 -0.307 0.000 1.045 135 F HN 0.109 nan 8.300 nan 0.000 0.516 136 I N -2.338 118.469 120.570 0.395 0.000 3.174 136 I HA 0.494 4.659 4.170 -0.009 0.000 0.313 136 I C 0.478 176.791 176.117 0.327 0.000 1.155 136 I CA -1.141 60.376 61.300 0.362 0.000 0.977 136 I CB 2.408 40.670 38.000 0.436 0.000 1.248 136 I HN -0.043 nan 8.210 nan 0.000 0.453 137 R N 0.313 120.944 120.500 0.218 0.000 2.549 137 R HA 0.425 4.760 4.340 -0.009 0.000 0.344 137 R C -0.842 175.531 176.300 0.121 0.000 0.979 137 R CA -0.293 55.900 56.100 0.155 0.000 1.140 137 R CB 0.494 30.854 30.300 0.098 0.000 1.377 137 R HN 0.730 nan 8.270 nan 0.000 0.541 138 D N -0.078 120.409 120.400 0.144 0.000 2.934 138 D HA 0.301 4.936 4.640 -0.009 0.000 0.230 138 D C 0.223 176.605 176.300 0.137 0.000 1.204 138 D CA -0.350 53.714 54.000 0.106 0.000 0.873 138 D CB 2.434 43.287 40.800 0.088 0.000 1.645 138 D HN 0.023 nan 8.370 nan 0.000 0.502 139 A N 3.363 126.237 122.820 0.090 0.000 2.070 139 A HA -0.185 4.129 4.320 -0.009 0.000 0.220 139 A C 1.890 179.560 177.584 0.144 0.000 1.159 139 A CA 1.266 53.364 52.037 0.101 0.000 0.656 139 A CB -0.392 18.630 19.000 0.037 0.000 0.800 139 A HN 0.607 nan 8.150 nan 0.000 0.453 140 M N -0.435 119.233 119.600 0.112 0.000 2.260 140 M HA -0.124 4.350 4.480 -0.009 0.000 0.261 140 M C 1.171 177.545 176.300 0.124 0.000 1.066 140 M CA 1.611 56.971 55.300 0.100 0.000 1.082 140 M CB -0.158 32.489 32.600 0.078 0.000 1.388 140 M HN 0.134 nan 8.290 nan 0.000 0.419 141 K N -1.641 118.865 120.400 0.178 0.000 2.367 141 K HA 0.086 4.400 4.320 -0.009 0.000 0.194 141 K C 1.627 178.316 176.600 0.148 0.000 1.027 141 K CA 0.317 56.729 56.287 0.209 0.000 1.075 141 K CB -0.613 32.079 32.500 0.319 0.000 0.845 141 K HN 0.362 nan 8.250 nan 0.000 0.529 142 F N 3.155 123.123 119.950 0.029 0.000 2.102 142 F HA -0.077 4.445 4.527 -0.008 0.000 0.298 142 F C -1.017 174.693 175.800 -0.149 0.000 1.105 142 F CA 0.958 58.954 58.000 -0.007 0.000 1.239 142 F CB -0.895 38.129 39.000 0.040 0.000 0.991 142 F HN 0.006 nan 8.300 nan 0.000 0.474 143 P HA -0.163 nan 4.420 nan 0.000 0.215 143 P C 1.238 178.119 177.300 -0.699 0.000 1.153 143 P CA 2.039 64.847 63.100 -0.487 0.000 0.853 143 P CB -0.106 31.391 31.700 -0.339 0.000 0.788 144 D N -0.926 119.202 120.400 -0.453 0.000 2.104 144 D HA -0.185 4.449 4.640 -0.009 0.000 0.194 144 D C 1.889 177.694 176.300 -0.826 0.000 0.994 144 D CA 1.189 54.932 54.000 -0.428 0.000 0.830 144 D CB -0.614 40.126 40.800 -0.101 0.000 0.959 144 D HN 0.160 nan 8.370 nan 0.000 0.452 145 M N 0.967 119.895 119.600 -1.119 0.000 2.065 145 M HA -0.178 4.296 4.480 -0.009 0.000 0.259 145 M C 2.261 178.029 176.300 -0.888 0.000 1.069 145 M CA 1.395 55.836 55.300 -1.431 0.000 1.110 145 M CB -0.102 31.963 32.600 -0.892 0.000 1.328 145 M HN -0.154 nan 8.290 nan 0.000 0.405 146 V N 0.282 119.726 119.914 -0.784 0.000 2.287 146 V HA -0.335 3.779 4.120 -0.009 0.000 0.248 146 V C 2.142 178.061 176.094 -0.292 0.000 1.053 146 V CA 2.264 64.218 62.300 -0.577 0.000 1.027 146 V CB -1.312 30.113 31.823 -0.664 0.000 0.646 146 V HN 0.579 nan 8.190 nan 0.000 0.447 147 H N 0.010 118.852 119.070 -0.380 0.000 2.387 147 H HA -0.154 4.397 4.556 -0.009 0.000 0.299 147 H C 2.538 177.735 175.328 -0.219 0.000 1.099 147 H CA 1.441 57.339 56.048 -0.249 0.000 1.315 147 H CB 0.050 29.698 29.762 -0.190 0.000 1.380 147 H HN 0.595 nan 8.280 nan 0.000 0.513 148 S N 0.529 116.132 115.700 -0.163 0.000 2.402 148 S HA -0.079 4.385 4.470 -0.009 0.000 0.229 148 S C 2.019 176.592 174.600 -0.046 0.000 1.021 148 S CA 0.689 58.823 58.200 -0.109 0.000 0.974 148 S CB -0.277 62.826 63.200 -0.160 0.000 0.800 148 S HN 0.303 nan 8.310 nan 0.000 0.484 149 L N 0.254 121.369 121.223 -0.180 0.000 2.298 149 L HA 0.235 4.570 4.340 -0.009 0.000 0.209 149 L C 1.123 177.911 176.870 -0.135 0.000 1.084 149 L CA 0.261 54.995 54.840 -0.178 0.000 0.816 149 L CB -0.139 41.657 42.059 -0.439 0.000 0.967 149 L HN 0.090 nan 8.230 nan 0.000 0.460 150 K N 0.996 121.293 120.400 -0.172 0.000 2.380 150 K HA 0.107 4.422 4.320 -0.009 0.000 0.267 150 K C -2.149 174.379 176.600 -0.119 0.000 0.990 150 K CA -1.453 54.720 56.287 -0.190 0.000 0.946 150 K CB -0.230 32.172 32.500 -0.162 0.000 0.937 150 K HN -0.193 nan 8.250 nan 0.000 0.491 151 P HA -0.181 nan 4.420 nan 0.000 0.263 151 P C -0.250 177.030 177.300 -0.033 0.000 1.168 151 P CA 0.422 63.502 63.100 -0.034 0.000 0.759 151 P CB 0.310 31.998 31.700 -0.020 0.000 0.782 152 D N 5.659 126.058 120.400 -0.001 0.000 2.586 152 D HA -0.089 4.546 4.640 -0.009 0.000 0.234 152 D C -1.150 175.133 176.300 -0.028 0.000 1.132 152 D CA -0.864 53.130 54.000 -0.010 0.000 0.860 152 D CB 0.614 41.420 40.800 0.010 0.000 1.159 152 D HN 0.236 nan 8.370 nan 0.000 0.490 153 P HA -0.075 nan 4.420 nan 0.000 0.230 153 P C 1.121 178.399 177.300 -0.038 0.000 1.158 153 P CA 0.757 63.820 63.100 -0.062 0.000 0.769 153 P CB 0.365 32.011 31.700 -0.089 0.000 0.807 154 R N 0.202 120.689 120.500 -0.022 0.000 2.102 154 R HA 0.007 4.342 4.340 -0.009 0.000 0.208 154 R C 2.284 178.582 176.300 -0.003 0.000 1.131 154 R CA 1.587 57.680 56.100 -0.011 0.000 1.054 154 R CB -0.589 29.708 30.300 -0.005 0.000 0.954 154 R HN 0.109 nan 8.270 nan 0.000 0.465 155 T N -1.884 112.671 114.554 0.003 0.000 3.043 155 T HA 0.004 4.349 4.350 -0.009 0.000 0.263 155 T C 0.705 175.413 174.700 0.015 0.000 1.094 155 T CA 0.788 62.895 62.100 0.011 0.000 1.127 155 T CB -0.130 68.749 68.868 0.019 0.000 0.905 155 T HN 0.409 nan 8.240 nan 0.000 0.490 156 N N 0.351 119.057 118.700 0.010 0.000 2.741 156 N HA -0.128 4.606 4.740 -0.009 0.000 0.250 156 N C -1.015 174.523 175.510 0.047 0.000 1.115 156 N CA 0.590 53.650 53.050 0.018 0.000 0.724 156 N CB -1.868 36.628 38.487 0.016 0.000 1.090 156 N HN 0.763 nan 8.380 nan 0.000 0.558 157 I N 0.379 120.982 120.570 0.055 0.000 2.533 157 I HA 0.163 4.327 4.170 -0.009 0.000 0.290 157 I C 0.525 176.707 176.117 0.108 0.000 1.056 157 I CA -0.772 60.583 61.300 0.092 0.000 1.057 157 I CB 1.964 40.006 38.000 0.070 0.000 1.240 157 I HN 0.076 nan 8.210 nan 0.000 0.423 158 Q N 4.340 124.251 119.800 0.185 0.000 2.330 158 Q HA 0.014 4.349 4.340 -0.009 0.000 0.279 158 Q C -1.131 174.970 176.000 0.168 0.000 1.024 158 Q CA 0.530 56.453 55.803 0.200 0.000 0.900 158 Q CB 0.805 29.743 28.738 0.333 0.000 1.221 158 Q HN 0.459 nan 8.270 nan 0.000 0.396 159 D N 4.780 125.252 120.400 0.119 0.000 2.542 159 D HA 0.295 4.930 4.640 -0.009 0.000 0.252 159 D C -2.281 173.900 176.300 -0.200 0.000 1.222 159 D CA -2.265 51.745 54.000 0.018 0.000 0.895 159 D CB 1.912 42.723 40.800 0.018 0.000 1.207 159 D HN 0.260 nan 8.370 nan 0.000 0.558 160 P HA -0.094 nan 4.420 nan 0.000 0.219 160 P C 0.800 177.892 177.300 -0.346 0.000 1.146 160 P CA 0.856 63.424 63.100 -0.886 0.000 0.808 160 P CB 0.367 31.970 31.700 -0.161 0.000 0.779 161 D N -0.821 119.515 120.400 -0.107 0.000 2.182 161 D HA -0.182 4.453 4.640 -0.009 0.000 0.201 161 D C 1.925 178.227 176.300 0.003 0.000 0.986 161 D CA 1.115 55.125 54.000 0.016 0.000 0.847 161 D CB -0.005 40.838 40.800 0.072 0.000 0.942 161 D HN 0.060 nan 8.370 nan 0.000 0.467 162 R N -1.085 119.385 120.500 -0.052 0.000 2.062 162 R HA -0.072 4.262 4.340 -0.009 0.000 0.226 162 R C 2.488 178.831 176.300 0.073 0.000 1.125 162 R CA 1.384 57.487 56.100 0.005 0.000 0.966 162 R CB -0.639 29.669 30.300 0.014 0.000 0.861 162 R HN 0.442 nan 8.270 nan 0.000 0.433 163 Y N -1.616 118.716 120.300 0.055 0.000 2.263 163 Y HA -0.017 4.528 4.550 -0.009 0.000 0.292 163 Y C 1.736 177.638 175.900 0.003 0.000 1.130 163 Y CA -0.100 57.985 58.100 -0.026 0.000 1.179 163 Y CB -1.065 37.298 38.460 -0.163 0.000 0.998 163 Y HN -0.012 nan 8.280 nan 0.000 0.532 164 W N 1.548 122.947 121.300 0.165 0.000 2.374 164 W HA -0.136 4.519 4.660 -0.008 0.000 0.288 164 W C 2.110 178.690 176.519 0.101 0.000 1.218 164 W CA 1.575 59.019 57.345 0.165 0.000 1.245 164 W CB -0.260 29.233 29.460 0.056 0.000 1.126 164 W HN 0.186 nan 8.180 nan 0.000 0.545 165 D N -0.168 120.388 120.400 0.260 0.000 2.088 165 D HA -0.286 4.349 4.640 -0.009 0.000 0.191 165 D C 1.875 178.256 176.300 0.135 0.000 0.992 165 D CA 1.668 55.754 54.000 0.143 0.000 0.831 165 D CB -0.786 40.052 40.800 0.065 0.000 0.973 165 D HN 0.087 nan 8.370 nan 0.000 0.447 166 F N 0.428 120.401 119.950 0.039 0.000 2.065 166 F HA -0.253 4.268 4.527 -0.009 0.000 0.298 166 F C 2.274 178.085 175.800 0.019 0.000 1.112 166 F CA 1.737 59.742 58.000 0.009 0.000 1.212 166 F CB -0.232 38.749 39.000 -0.032 0.000 0.975 166 F HN -0.032 nan 8.300 nan 0.000 0.476 167 M N 0.417 120.105 119.600 0.147 0.000 2.086 167 M HA -0.151 4.324 4.480 -0.009 0.000 0.261 167 M C 2.435 178.747 176.300 0.020 0.000 1.067 167 M CA 2.196 57.533 55.300 0.062 0.000 1.116 167 M CB -2.074 30.558 32.600 0.054 0.000 1.348 167 M HN 0.389 nan 8.290 nan 0.000 0.407 168 T N -1.044 113.587 114.554 0.129 0.000 2.788 168 T HA -0.092 4.253 4.350 -0.009 0.000 0.268 168 T C 1.899 176.600 174.700 0.001 0.000 1.044 168 T CA 1.073 63.240 62.100 0.112 0.000 1.139 168 T CB -0.660 68.299 68.868 0.152 0.000 0.867 168 T HN 0.375 nan 8.240 nan 0.000 0.454 169 L N -0.412 120.761 121.223 -0.082 0.000 2.554 169 L HA 0.246 4.581 4.340 -0.009 0.000 0.226 169 L C 1.486 178.223 176.870 -0.223 0.000 1.137 169 L CA 0.230 54.991 54.840 -0.132 0.000 0.863 169 L CB 0.015 41.991 42.059 -0.139 0.000 0.985 169 L HN 0.017 nan 8.230 nan 0.000 0.451 170 R N 0.566 120.873 120.500 -0.322 0.000 2.860 170 R HA 0.217 4.552 4.340 -0.009 0.000 0.282 170 R C -1.839 174.368 176.300 -0.155 0.000 1.408 170 R CA -1.595 54.318 56.100 -0.311 0.000 1.636 170 R CB 0.547 30.482 30.300 -0.607 0.000 1.187 170 R HN -0.034 nan 8.270 nan 0.000 0.611 171 P HA -0.147 nan 4.420 nan 0.000 0.228 171 P C 0.986 178.148 177.300 -0.229 0.000 1.151 171 P CA 0.792 63.839 63.100 -0.088 0.000 0.770 171 P CB 0.303 32.020 31.700 0.029 0.000 0.786 172 E N 1.121 121.207 120.200 -0.189 0.000 2.331 172 E HA -0.159 4.185 4.350 -0.009 0.000 0.199 172 E C 1.437 177.997 176.600 -0.067 0.000 1.008 172 E CA 1.573 57.881 56.400 -0.154 0.000 0.843 172 E CB -1.090 28.568 29.700 -0.070 0.000 0.761 172 E HN 0.360 nan 8.360 nan 0.000 0.507 173 S N 0.148 115.841 115.700 -0.012 0.000 2.555 173 S HA -0.056 4.409 4.470 -0.009 0.000 0.230 173 S C 1.713 176.344 174.600 0.051 0.000 0.978 173 S CA 0.899 59.147 58.200 0.080 0.000 0.934 173 S CB -0.456 62.846 63.200 0.170 0.000 0.766 173 S HN 0.249 nan 8.310 nan 0.000 0.533 174 T N 3.154 117.696 114.554 -0.020 0.000 2.622 174 T HA -0.156 4.189 4.350 -0.009 0.000 0.266 174 T C 1.809 176.581 174.700 0.120 0.000 1.047 174 T CA 1.763 63.852 62.100 -0.020 0.000 1.159 174 T CB -0.866 67.980 68.868 -0.037 0.000 0.863 174 T HN 0.510 nan 8.240 nan 0.000 0.422 175 N N 0.779 119.537 118.700 0.098 0.000 2.060 175 N HA -0.138 4.596 4.740 -0.009 0.000 0.195 175 N C 1.781 177.448 175.510 0.261 0.000 1.028 175 N CA 1.471 54.627 53.050 0.176 0.000 0.861 175 N CB -0.444 38.105 38.487 0.105 0.000 1.029 175 N HN 0.190 nan 8.380 nan 0.000 0.428 176 M N -0.125 119.505 119.600 0.050 0.000 2.117 176 M HA -0.019 4.455 4.480 -0.009 0.000 0.262 176 M C 1.525 177.825 176.300 0.000 0.000 1.065 176 M CA 1.100 56.303 55.300 -0.161 0.000 1.114 176 M CB -0.723 31.445 32.600 -0.720 0.000 1.361 176 M HN 0.124 nan 8.290 nan 0.000 0.408 177 L N -0.041 121.285 121.223 0.171 0.000 2.043 177 L HA -0.243 4.092 4.340 -0.009 0.000 0.212 177 L C 2.355 179.567 176.870 0.570 0.000 1.075 177 L CA 1.766 56.900 54.840 0.491 0.000 0.752 177 L CB -1.266 41.182 42.059 0.649 0.000 0.891 177 L HN 0.375 nan 8.230 nan 0.000 0.432 178 M N -1.512 118.373 119.600 0.474 0.000 2.149 178 M HA -0.223 4.251 4.480 -0.009 0.000 0.261 178 M C 2.313 178.698 176.300 0.142 0.000 1.064 178 M CA 1.657 57.150 55.300 0.322 0.000 1.102 178 M CB -1.220 31.505 32.600 0.208 0.000 1.369 178 M HN 0.354 nan 8.290 nan 0.000 0.408 179 H N -0.872 118.286 119.070 0.147 0.000 2.384 179 H HA 0.126 4.677 4.556 -0.009 0.000 0.300 179 H C 2.073 177.427 175.328 0.045 0.000 1.057 179 H CA 0.872 56.966 56.048 0.077 0.000 1.370 179 H CB 0.233 30.000 29.762 0.008 0.000 1.417 179 H HN 0.144 nan 8.280 nan 0.000 0.527 180 I N -0.022 120.615 120.570 0.112 0.000 2.439 180 I HA -0.185 3.980 4.170 -0.009 0.000 0.251 180 I C 0.638 176.647 176.117 -0.181 0.000 1.139 180 I CA 1.326 62.568 61.300 -0.096 0.000 1.438 180 I CB -0.193 37.657 38.000 -0.251 0.000 1.085 180 I HN 0.225 nan 8.210 nan 0.000 0.427 181 F N 0.666 120.712 119.950 0.160 0.000 2.732 181 F HA 0.017 4.539 4.527 -0.009 0.000 0.303 181 F C 1.763 177.631 175.800 0.114 0.000 1.110 181 F CA -0.225 57.870 58.000 0.158 0.000 1.355 181 F CB -0.264 38.860 39.000 0.208 0.000 1.081 181 F HN 0.015 nan 8.300 nan 0.000 0.565 182 T N -3.111 111.570 114.554 0.212 0.000 2.698 182 T HA 0.005 4.350 4.350 -0.009 0.000 0.295 182 T C 1.022 175.793 174.700 0.118 0.000 1.007 182 T CA -0.465 61.719 62.100 0.141 0.000 0.980 182 T CB 0.622 69.547 68.868 0.094 0.000 1.036 182 T HN -0.047 nan 8.240 nan 0.000 0.526 183 D N -0.540 119.916 120.400 0.093 0.000 2.348 183 D HA -0.018 4.617 4.640 -0.009 0.000 0.216 183 D C 1.692 178.038 176.300 0.077 0.000 0.970 183 D CA 0.552 54.601 54.000 0.081 0.000 0.889 183 D CB -0.248 40.593 40.800 0.068 0.000 0.912 183 D HN 0.796 nan 8.370 nan 0.000 0.524 184 E N 0.320 120.569 120.200 0.082 0.000 2.409 184 E HA -0.078 4.266 4.350 -0.009 0.000 0.198 184 E C 1.926 178.576 176.600 0.083 0.000 1.024 184 E CA 0.492 56.946 56.400 0.090 0.000 0.861 184 E CB -0.086 29.678 29.700 0.107 0.000 0.788 184 E HN 0.254 nan 8.360 nan 0.000 0.521 185 G N 0.634 109.469 108.800 0.058 0.000 2.471 185 G HA2 -0.103 3.852 3.960 -0.009 0.000 0.219 185 G HA3 -0.103 3.852 3.960 -0.009 0.000 0.219 185 G C 0.860 175.786 174.900 0.044 0.000 1.125 185 G CA 0.272 45.383 45.100 0.018 0.000 0.775 185 G HN 0.179 nan 8.290 nan 0.000 0.548 186 I N 1.434 122.043 120.570 0.065 0.000 2.668 186 I HA 0.255 4.420 4.170 -0.009 0.000 0.276 186 I C -2.585 173.586 176.117 0.089 0.000 1.139 186 I CA -2.088 59.259 61.300 0.078 0.000 1.133 186 I CB 2.269 40.310 38.000 0.068 0.000 1.327 186 I HN -0.191 nan 8.210 nan 0.000 0.520 187 P HA -0.003 nan 4.420 nan 0.000 0.267 187 P C 0.702 178.065 177.300 0.105 0.000 1.200 187 P CA 0.198 63.361 63.100 0.104 0.000 0.772 187 P CB 1.058 32.828 31.700 0.116 0.000 0.855 188 A N 2.001 124.886 122.820 0.109 0.000 1.968 188 A HA 0.106 4.420 4.320 -0.009 0.000 0.217 188 A C 0.775 178.435 177.584 0.127 0.000 1.169 188 A CA 1.803 53.913 52.037 0.123 0.000 0.638 188 A CB -0.559 18.490 19.000 0.082 0.000 0.812 188 A HN 0.662 nan 8.150 nan 0.000 0.446 189 S N -4.452 111.246 115.700 -0.002 0.000 2.636 189 S HA 0.455 4.920 4.470 -0.009 0.000 0.266 189 S C 0.213 174.731 174.600 -0.137 0.000 1.147 189 S CA -0.371 57.705 58.200 -0.207 0.000 0.815 189 S CB -0.146 62.931 63.200 -0.206 0.000 1.119 189 S HN 0.075 nan 8.310 nan 0.000 0.470 190 Y N 1.872 122.085 120.300 -0.144 0.000 2.193 190 Y HA -0.101 4.444 4.550 -0.009 0.000 0.285 190 Y C 2.703 178.453 175.900 -0.249 0.000 1.166 190 Y CA 1.958 59.898 58.100 -0.267 0.000 1.181 190 Y CB -0.633 37.653 38.460 -0.291 0.000 0.976 190 Y HN 0.787 nan 8.280 nan 0.000 0.520 191 R N 0.626 121.127 120.500 0.002 0.000 2.275 191 R HA 0.043 4.378 4.340 -0.009 0.000 0.199 191 R C 0.455 176.692 176.300 -0.105 0.000 0.989 191 R CA 0.723 56.789 56.100 -0.057 0.000 1.016 191 R CB -0.265 29.971 30.300 -0.107 0.000 0.918 191 R HN 0.175 nan 8.270 nan 0.000 0.473 192 K N 1.822 122.232 120.400 0.017 0.000 2.981 192 K HA 0.268 4.582 4.320 -0.009 0.000 0.213 192 K C -0.194 176.491 176.600 0.141 0.000 1.154 192 K CA -0.213 56.124 56.287 0.084 0.000 1.111 192 K CB 0.734 33.322 32.500 0.146 0.000 0.975 192 K HN 0.277 nan 8.250 nan 0.000 0.462 193 M N -1.377 118.357 119.600 0.222 0.000 2.575 193 M HA 0.497 4.971 4.480 -0.009 0.000 0.284 193 M C -1.057 175.553 176.300 0.516 0.000 1.253 193 M CA -1.082 54.397 55.300 0.299 0.000 0.861 193 M CB 1.881 34.645 32.600 0.274 0.000 1.733 193 M HN -0.058 nan 8.290 nan 0.000 0.462 194 R N 0.743 121.501 120.500 0.431 0.000 2.541 194 R HA 0.947 5.282 4.340 -0.009 0.000 0.254 194 R C -0.144 176.399 176.300 0.405 0.000 1.130 194 R CA -0.607 55.777 56.100 0.473 0.000 1.152 194 R CB 0.572 31.059 30.300 0.311 0.000 1.222 194 R HN 0.876 nan 8.270 nan 0.000 0.579 195 G N -0.829 108.041 108.800 0.118 0.000 2.563 195 G HA2 0.551 4.506 3.960 -0.009 0.000 0.302 195 G HA3 0.551 4.506 3.960 -0.009 0.000 0.302 195 G C -1.427 173.488 174.900 0.024 0.000 1.301 195 G CA -0.854 44.087 45.100 -0.265 0.000 0.965 195 G HN 0.452 nan 8.290 nan 0.000 0.480 196 S N -0.641 115.149 115.700 0.150 0.000 2.572 196 S HA 0.354 4.818 4.470 -0.009 0.000 0.274 196 S C 1.000 175.686 174.600 0.143 0.000 1.150 196 S CA -0.124 58.139 58.200 0.105 0.000 0.944 196 S CB 1.849 65.044 63.200 -0.008 0.000 1.071 196 S HN 1.089 nan 8.310 nan 0.000 0.479 197 S N 1.876 117.650 115.700 0.124 0.000 2.419 197 S HA -0.078 4.387 4.470 -0.009 0.000 0.233 197 S C 1.500 175.968 174.600 -0.221 0.000 1.016 197 S CA 1.022 59.189 58.200 -0.054 0.000 0.974 197 S CB -0.560 62.718 63.200 0.130 0.000 0.786 197 S HN 0.993 nan 8.310 nan 0.000 0.492 198 V N 0.320 120.068 119.914 -0.275 0.000 0.524 198 V HA -0.337 3.778 4.120 -0.009 0.000 0.092 198 V C 0.725 176.517 176.094 -0.503 0.000 2.204 198 V CA 2.322 64.367 62.300 -0.424 0.000 3.556 198 V CB -1.926 29.597 31.823 -0.500 0.000 0.846 198 V HN 0.787 nan 8.190 nan 0.000 0.884 199 H N 1.393 120.311 119.070 -0.253 0.000 2.607 199 H HA 0.557 5.108 4.556 -0.008 0.000 0.367 199 H C 0.666 175.768 175.328 -0.376 0.000 1.181 199 H CA 0.389 56.228 56.048 -0.348 0.000 1.402 199 H CB 0.956 30.419 29.762 -0.497 0.000 1.474 199 H HN 0.745 nan 8.280 nan 0.000 0.596 200 S N 1.316 116.855 115.700 -0.268 0.000 2.580 200 S HA 0.415 4.879 4.470 -0.009 0.000 0.274 200 S C -0.320 174.149 174.600 -0.218 0.000 1.329 200 S CA -0.495 57.588 58.200 -0.194 0.000 1.036 200 S CB 0.446 63.647 63.200 0.001 0.000 0.919 200 S HN 0.401 nan 8.310 nan 0.000 0.515 201 F N 0.314 120.254 119.950 -0.016 0.000 2.712 201 F HA 0.589 5.110 4.527 -0.010 0.000 0.367 201 F C 0.514 176.338 175.800 0.040 0.000 1.132 201 F CA -1.223 56.795 58.000 0.031 0.000 1.066 201 F CB 1.691 40.704 39.000 0.022 0.000 1.416 201 F HN 0.415 nan 8.300 nan 0.000 0.515 202 K N 0.610 121.165 120.400 0.258 0.000 2.244 202 K HA 0.314 4.629 4.320 -0.009 0.000 0.260 202 K C -1.827 174.962 176.600 0.316 0.000 0.951 202 K CA -0.611 55.743 56.287 0.111 0.000 0.826 202 K CB 1.507 34.009 32.500 0.003 0.000 1.108 202 K HN 0.332 nan 8.250 nan 0.000 0.433 203 W N 2.411 123.680 121.300 -0.051 0.000 2.587 203 W HA 0.398 5.052 4.660 -0.009 0.000 0.324 203 W C -0.738 175.751 176.519 -0.049 0.000 1.040 203 W CA -0.868 56.435 57.345 -0.070 0.000 1.222 203 W CB 1.475 30.890 29.460 -0.074 0.000 1.381 203 W HN 0.108 nan 8.180 nan 0.000 0.483 204 V N 4.930 124.917 119.914 0.122 0.000 2.495 204 V HA 0.316 4.430 4.120 -0.009 0.000 0.298 204 V C 0.208 176.311 176.094 0.015 0.000 1.031 204 V CA -0.963 61.370 62.300 0.054 0.000 0.871 204 V CB 1.247 33.075 31.823 0.009 0.000 0.988 204 V HN 0.569 nan 8.190 nan 0.000 0.432 205 N N 4.074 122.797 118.700 0.037 0.000 2.476 205 N HA 0.450 5.184 4.740 -0.009 0.000 0.287 205 N C 1.065 176.566 175.510 -0.015 0.000 1.262 205 N CA -0.093 52.960 53.050 0.005 0.000 0.980 205 N CB 0.713 39.218 38.487 0.031 0.000 1.163 205 N HN 0.555 nan 8.380 nan 0.000 0.592 206 A N -1.371 121.437 122.820 -0.018 0.000 2.070 206 A HA -0.140 4.174 4.320 -0.009 0.000 0.220 206 A C 1.303 178.833 177.584 -0.090 0.000 1.159 206 A CA 1.292 53.295 52.037 -0.057 0.000 0.656 206 A CB -1.082 17.894 19.000 -0.040 0.000 0.800 206 A HN 0.790 nan 8.150 nan 0.000 0.453 207 H N -1.911 117.131 119.070 -0.046 0.000 2.551 207 H HA 0.346 4.897 4.556 -0.008 0.000 0.271 207 H C 1.464 176.775 175.328 -0.028 0.000 0.984 207 H CA 0.657 56.683 56.048 -0.036 0.000 1.164 207 H CB 0.369 30.114 29.762 -0.029 0.000 1.437 207 H HN 0.559 nan 8.280 nan 0.000 0.550 208 G N 0.903 109.724 108.800 0.035 0.000 2.132 208 G HA2 -0.320 3.635 3.960 -0.009 0.000 0.234 208 G HA3 -0.320 3.635 3.960 -0.009 0.000 0.234 208 G C -0.007 174.915 174.900 0.037 0.000 0.989 208 G CA 0.123 45.232 45.100 0.015 0.000 0.676 208 G HN 0.470 nan 8.290 nan 0.000 0.522 209 N N 0.781 119.517 118.700 0.060 0.000 2.470 209 N HA 0.488 5.223 4.740 -0.009 0.000 0.268 209 N C 0.318 175.862 175.510 0.057 0.000 1.136 209 N CA 0.938 54.022 53.050 0.057 0.000 0.961 209 N CB 0.888 39.416 38.487 0.069 0.000 1.067 209 N HN 0.333 nan 8.380 nan 0.000 0.468 210 T N 2.577 117.147 114.554 0.027 0.000 2.794 210 T HA 0.578 4.923 4.350 -0.009 0.000 0.280 210 T C -0.347 174.339 174.700 -0.025 0.000 0.987 210 T CA -0.695 61.405 62.100 0.001 0.000 0.993 210 T CB 0.194 69.030 68.868 -0.054 0.000 0.939 210 T HN 0.271 nan 8.240 nan 0.000 0.449 211 V N 3.160 123.075 119.914 0.001 0.000 2.815 211 V HA 0.670 4.785 4.120 -0.009 0.000 0.314 211 V C -1.124 174.895 176.094 -0.126 0.000 1.064 211 V CA -1.365 60.915 62.300 -0.033 0.000 0.952 211 V CB 0.945 32.789 31.823 0.035 0.000 1.020 211 V HN 0.839 nan 8.190 nan 0.000 0.439 212 Y N 3.741 124.072 120.300 0.051 0.000 2.335 212 Y HA 0.669 5.214 4.550 -0.009 0.000 0.331 212 Y C 0.326 176.262 175.900 0.060 0.000 1.094 212 Y CA -0.218 57.936 58.100 0.090 0.000 1.253 212 Y CB 1.182 39.764 38.460 0.204 0.000 1.203 212 Y HN 0.821 nan 8.280 nan 0.000 0.508 213 I N 0.279 120.888 120.570 0.064 0.000 2.730 213 I HA 0.742 4.907 4.170 -0.009 0.000 0.298 213 I C -1.211 174.727 176.117 -0.299 0.000 1.089 213 I CA -1.271 59.880 61.300 -0.249 0.000 1.041 213 I CB 2.184 39.605 38.000 -0.965 0.000 1.235 213 I HN 0.219 nan 8.210 nan 0.000 0.423 214 K N 3.888 124.034 120.400 -0.423 0.000 2.259 214 K HA 0.773 5.087 4.320 -0.009 0.000 0.249 214 K C -1.536 174.842 176.600 -0.370 0.000 0.942 214 K CA -0.526 55.450 56.287 -0.518 0.000 0.816 214 K CB 1.460 33.438 32.500 -0.871 0.000 1.155 214 K HN 0.605 nan 8.250 nan 0.000 0.428 215 L N 2.299 123.375 121.223 -0.246 0.000 2.342 215 L HA 0.607 4.941 4.340 -0.009 0.000 0.271 215 L C -1.005 175.693 176.870 -0.287 0.000 1.008 215 L CA -0.602 54.099 54.840 -0.230 0.000 0.818 215 L CB 1.738 43.802 42.059 0.008 0.000 1.296 215 L HN 0.518 nan 8.230 nan 0.000 0.427 216 R N 1.731 121.953 120.500 -0.464 0.000 2.510 216 R HA 0.435 4.770 4.340 -0.009 0.000 0.294 216 R C -1.866 174.230 176.300 -0.341 0.000 1.056 216 R CA -0.311 55.543 56.100 -0.410 0.000 0.918 216 R CB 1.207 31.075 30.300 -0.720 0.000 1.187 216 R HN 0.440 nan 8.270 nan 0.000 0.437 217 W N 3.542 124.740 121.300 -0.171 0.000 2.433 217 W HA 0.593 5.247 4.660 -0.010 0.000 0.315 217 W C -0.472 176.224 176.519 0.296 0.000 1.087 217 W CA -0.780 56.566 57.345 0.001 0.000 1.205 217 W CB 1.675 30.872 29.460 -0.437 0.000 1.288 217 W HN 0.087 nan 8.180 nan 0.000 0.504 218 V N 5.473 125.830 119.914 0.738 0.000 2.407 218 V HA 0.384 4.498 4.120 -0.009 0.000 0.291 218 V C -2.006 174.392 176.094 0.508 0.000 1.018 218 V CA -2.311 60.328 62.300 0.565 0.000 0.842 218 V CB 1.627 33.745 31.823 0.492 0.000 0.996 218 V HN 0.283 nan 8.190 nan 0.000 0.426 219 P HA 0.226 nan 4.420 nan 0.000 0.280 219 P C 0.250 177.494 177.300 -0.094 0.000 1.244 219 P CA -0.495 62.484 63.100 -0.201 0.000 0.784 219 P CB 1.534 33.075 31.700 -0.265 0.000 0.913 220 K N 3.245 123.552 120.400 -0.155 0.000 2.209 220 K HA -0.134 4.181 4.320 -0.009 0.000 0.204 220 K C 1.157 177.725 176.600 -0.054 0.000 1.048 220 K CA 1.453 57.713 56.287 -0.046 0.000 0.940 220 K CB -0.167 32.320 32.500 -0.021 0.000 0.729 220 K HN 0.227 nan 8.250 nan 0.000 0.451 221 E N 0.711 120.837 120.200 -0.123 0.000 2.511 221 E HA 0.065 4.410 4.350 -0.009 0.000 0.196 221 E C 0.688 177.345 176.600 0.095 0.000 1.066 221 E CA 0.815 57.195 56.400 -0.034 0.000 0.871 221 E CB -0.098 29.550 29.700 -0.087 0.000 0.863 221 E HN 0.539 nan 8.360 nan 0.000 0.520 222 G N 0.589 109.403 108.800 0.024 0.000 2.755 222 G HA2 -0.252 3.703 3.960 -0.009 0.000 0.686 222 G HA3 -0.252 3.703 3.960 -0.009 0.000 0.686 222 G C -0.198 174.649 174.900 -0.088 0.000 1.427 222 G CA -0.371 44.706 45.100 -0.039 0.000 0.873 222 G HN 0.064 nan 8.290 nan 0.000 0.580 223 V N 4.144 123.955 119.914 -0.172 0.000 2.415 223 V HA 0.342 4.457 4.120 -0.009 0.000 0.267 223 V C 0.448 176.339 176.094 -0.338 0.000 1.042 223 V CA 0.074 62.303 62.300 -0.117 0.000 1.000 223 V CB 0.541 32.348 31.823 -0.026 0.000 1.015 223 V HN 0.702 nan 8.190 nan 0.000 0.478 224 H N 4.191 123.287 119.070 0.043 0.000 2.609 224 H HA 0.489 5.039 4.556 -0.009 0.000 0.344 224 H C -0.528 174.823 175.328 0.039 0.000 1.040 224 H CA -0.557 55.509 56.048 0.030 0.000 1.216 224 H CB 1.997 31.765 29.762 0.010 0.000 1.529 224 H HN 0.662 nan 8.280 nan 0.000 0.519 225 N N 1.770 120.551 118.700 0.134 0.000 2.457 225 N HA 0.535 5.269 4.740 -0.009 0.000 0.290 225 N C -0.777 174.779 175.510 0.077 0.000 1.232 225 N CA -0.800 52.308 53.050 0.097 0.000 0.852 225 N CB 2.187 40.720 38.487 0.077 0.000 1.313 225 N HN 0.249 nan 8.380 nan 0.000 0.522 226 L N 0.803 122.061 121.223 0.058 0.000 2.329 226 L HA 0.498 4.832 4.340 -0.009 0.000 0.279 226 L C 0.418 177.312 176.870 0.040 0.000 1.014 226 L CA -0.857 54.002 54.840 0.032 0.000 0.814 226 L CB 1.705 43.764 42.059 0.000 0.000 1.257 226 L HN 0.661 nan 8.230 nan 0.000 0.424 227 S N 1.494 117.215 115.700 0.034 0.000 2.608 227 S HA 0.299 4.763 4.470 -0.009 0.000 0.261 227 S C 1.252 175.877 174.600 0.041 0.000 1.314 227 S CA 0.016 58.241 58.200 0.042 0.000 0.992 227 S CB 1.438 64.659 63.200 0.034 0.000 0.935 227 S HN 0.726 nan 8.310 nan 0.000 0.564 228 A N 1.032 123.886 122.820 0.057 0.000 1.917 228 A HA -0.135 4.180 4.320 -0.009 0.000 0.219 228 A C 1.770 179.377 177.584 0.037 0.000 1.182 228 A CA 1.977 54.050 52.037 0.059 0.000 0.633 228 A CB -1.184 17.865 19.000 0.081 0.000 0.819 228 A HN 0.884 nan 8.150 nan 0.000 0.448 229 D N -0.618 119.799 120.400 0.029 0.000 2.183 229 D HA -0.067 4.567 4.640 -0.009 0.000 0.203 229 D C 1.915 178.215 176.300 0.001 0.000 0.969 229 D CA 1.208 55.217 54.000 0.016 0.000 0.842 229 D CB -0.365 40.444 40.800 0.015 0.000 0.957 229 D HN 0.657 nan 8.370 nan 0.000 0.484 230 E N 0.744 120.941 120.200 -0.004 0.000 2.077 230 E HA -0.114 4.231 4.350 -0.009 0.000 0.193 230 E C 2.113 178.683 176.600 -0.050 0.000 0.989 230 E CA 1.009 57.394 56.400 -0.026 0.000 0.800 230 E CB -0.026 29.661 29.700 -0.023 0.000 0.746 230 E HN 0.178 nan 8.360 nan 0.000 0.452 231 A N 0.707 123.507 122.820 -0.034 0.000 1.908 231 A HA -0.206 4.109 4.320 -0.009 0.000 0.218 231 A C 2.371 179.934 177.584 -0.035 0.000 1.181 231 A CA 1.988 53.998 52.037 -0.045 0.000 0.627 231 A CB -0.922 18.078 19.000 0.001 0.000 0.818 231 A HN 0.191 nan 8.150 nan 0.000 0.445 232 T N -0.582 113.966 114.554 -0.010 0.000 2.708 232 T HA -0.156 4.188 4.350 -0.009 0.000 0.266 232 T C 1.878 176.570 174.700 -0.013 0.000 1.037 232 T CA 1.603 63.702 62.100 -0.001 0.000 1.146 232 T CB -0.236 68.638 68.868 0.011 0.000 0.865 232 T HN 0.753 nan 8.240 nan 0.000 0.435 233 E N 0.566 120.752 120.200 -0.023 0.000 2.058 233 E HA -0.146 4.199 4.350 -0.009 0.000 0.194 233 E C 2.184 178.757 176.600 -0.044 0.000 0.997 233 E CA 1.310 57.693 56.400 -0.028 0.000 0.801 233 E CB -0.186 29.495 29.700 -0.031 0.000 0.746 233 E HN 0.259 nan 8.360 nan 0.000 0.450 234 V N 1.137 121.001 119.914 -0.084 0.000 2.343 234 V HA -0.288 3.827 4.120 -0.009 0.000 0.247 234 V C 2.644 178.697 176.094 -0.068 0.000 1.051 234 V CA 2.249 64.471 62.300 -0.130 0.000 1.036 234 V CB -0.770 30.866 31.823 -0.312 0.000 0.654 234 V HN 0.412 nan 8.190 nan 0.000 0.451 235 Q N 0.213 119.992 119.800 -0.035 0.000 2.112 235 Q HA -0.204 4.130 4.340 -0.009 0.000 0.206 235 Q C 2.223 178.257 176.000 0.057 0.000 0.987 235 Q CA 2.123 57.946 55.803 0.034 0.000 0.858 235 Q CB -0.509 28.248 28.738 0.033 0.000 0.905 235 Q HN 0.669 nan 8.270 nan 0.000 0.420 236 G N 0.000 108.817 108.800 0.027 0.000 2.422 236 G HA2 -0.225 3.730 3.960 -0.009 0.000 0.218 236 G HA3 -0.225 3.730 3.960 -0.009 0.000 0.218 236 G C 1.316 176.241 174.900 0.042 0.000 1.140 236 G CA 0.875 45.994 45.100 0.031 0.000 0.775 236 G HN 0.227 nan 8.290 nan 0.000 0.545 237 K N -0.944 119.474 120.400 0.030 0.000 2.202 237 K HA 0.127 4.441 4.320 -0.009 0.000 0.201 237 K C -0.200 176.427 176.600 0.045 0.000 1.051 237 K CA 0.542 56.845 56.287 0.027 0.000 0.977 237 K CB 0.533 33.033 32.500 -0.000 0.000 0.792 237 K HN 0.133 nan 8.250 nan 0.000 0.469 238 D N -0.586 119.845 120.400 0.053 0.000 2.478 238 D HA 0.042 4.677 4.640 -0.009 0.000 0.240 238 D C -0.290 176.062 176.300 0.087 0.000 1.364 238 D CA -0.554 53.464 54.000 0.029 0.000 0.987 238 D CB 0.548 41.347 40.800 -0.003 0.000 1.328 238 D HN 0.019 nan 8.370 nan 0.000 0.584 239 F N 1.835 121.800 119.950 0.025 0.000 2.811 239 F HA 0.356 4.878 4.527 -0.009 0.000 0.301 239 F C 0.501 176.330 175.800 0.049 0.000 1.151 239 F CA -0.153 57.871 58.000 0.040 0.000 1.412 239 F CB 0.084 39.094 39.000 0.017 0.000 1.113 239 F HN 0.029 nan 8.300 nan 0.000 0.579 240 N N 1.063 119.507 118.700 -0.427 0.000 2.467 240 N HA -0.036 4.698 4.740 -0.009 0.000 0.278 240 N C 1.306 176.697 175.510 -0.199 0.000 1.306 240 N CA 0.052 52.899 53.050 -0.339 0.000 0.905 240 N CB -0.527 37.645 38.487 -0.524 0.000 1.236 240 N HN 0.578 nan 8.380 nan 0.000 0.509 241 H N 0.077 119.049 119.070 -0.164 0.000 2.357 241 H HA 0.072 4.623 4.556 -0.009 0.000 0.301 241 H C 1.510 176.721 175.328 -0.195 0.000 1.082 241 H CA 1.415 57.371 56.048 -0.154 0.000 1.342 241 H CB 0.052 29.743 29.762 -0.118 0.000 1.389 241 H HN 0.120 nan 8.280 nan 0.000 0.511 242 A N 1.189 123.353 122.820 -1.094 0.000 1.898 242 A HA -0.100 4.215 4.320 -0.009 0.000 0.216 242 A C 2.768 180.012 177.584 -0.566 0.000 1.181 242 A CA 1.483 52.908 52.037 -1.020 0.000 0.620 242 A CB -0.768 17.273 19.000 -1.598 0.000 0.819 242 A HN 0.490 nan 8.150 nan 0.000 0.442 243 S N 0.306 115.824 115.700 -0.303 0.000 2.353 243 S HA -0.208 4.256 4.470 -0.009 0.000 0.222 243 S C 2.092 176.573 174.600 -0.198 0.000 1.035 243 S CA 1.471 59.591 58.200 -0.133 0.000 1.025 243 S CB -0.534 62.764 63.200 0.165 0.000 0.902 243 S HN 0.702 nan 8.310 nan 0.000 0.440 244 N N 1.638 120.260 118.700 -0.131 0.000 2.037 244 N HA -0.193 4.541 4.740 -0.009 0.000 0.196 244 N C 1.427 176.912 175.510 -0.042 0.000 1.034 244 N CA 2.093 55.100 53.050 -0.072 0.000 0.861 244 N CB -0.735 37.697 38.487 -0.091 0.000 1.039 244 N HN 0.477 nan 8.380 nan 0.000 0.427 245 D N -1.540 118.793 120.400 -0.111 0.000 2.117 245 D HA -0.073 4.562 4.640 -0.009 0.000 0.197 245 D C 1.501 177.739 176.300 -0.103 0.000 0.987 245 D CA 1.833 55.780 54.000 -0.087 0.000 0.829 245 D CB -0.243 40.499 40.800 -0.098 0.000 0.961 245 D HN 0.299 nan 8.370 nan 0.000 0.460 246 T N -0.713 113.698 114.554 -0.238 0.000 2.857 246 T HA -0.080 4.265 4.350 -0.009 0.000 0.266 246 T C 1.555 176.162 174.700 -0.155 0.000 1.048 246 T CA 0.689 62.619 62.100 -0.284 0.000 1.139 246 T CB -0.548 67.975 68.868 -0.575 0.000 0.874 246 T HN 0.194 nan 8.240 nan 0.000 0.455 247 F N 2.181 121.962 119.950 -0.282 0.000 2.102 247 F HA -0.135 4.387 4.527 -0.009 0.000 0.298 247 F C 2.538 178.405 175.800 0.112 0.000 1.105 247 F CA 1.253 59.330 58.000 0.128 0.000 1.239 247 F CB -0.240 38.897 39.000 0.227 0.000 0.991 247 F HN -0.038 nan 8.300 nan 0.000 0.474 248 Q N 0.472 120.439 119.800 0.277 0.000 2.050 248 Q HA -0.136 4.198 4.340 -0.009 0.000 0.202 248 Q C 2.546 178.585 176.000 0.064 0.000 0.980 248 Q CA 1.532 57.442 55.803 0.179 0.000 0.840 248 Q CB -1.294 27.517 28.738 0.122 0.000 0.898 248 Q HN 0.515 nan 8.270 nan 0.000 0.424 249 A N 0.796 123.637 122.820 0.035 0.000 1.917 249 A HA -0.191 4.123 4.320 -0.009 0.000 0.219 249 A C 2.197 179.813 177.584 0.054 0.000 1.182 249 A CA 1.513 53.561 52.037 0.018 0.000 0.633 249 A CB -0.742 18.263 19.000 0.009 0.000 0.819 249 A HN 0.345 nan 8.150 nan 0.000 0.448 250 I N -1.228 119.399 120.570 0.095 0.000 2.353 250 I HA -0.162 4.003 4.170 -0.009 0.000 0.248 250 I C 2.485 178.688 176.117 0.144 0.000 1.119 250 I CA 1.432 62.859 61.300 0.212 0.000 1.417 250 I CB -0.207 37.876 38.000 0.139 0.000 1.078 250 I HN 0.251 nan 8.210 nan 0.000 0.421 251 E N 1.124 121.308 120.200 -0.027 0.000 2.150 251 E HA -0.154 4.190 4.350 -0.009 0.000 0.193 251 E C 1.627 178.243 176.600 0.027 0.000 0.985 251 E CA 1.090 57.480 56.400 -0.016 0.000 0.814 251 E CB -0.107 29.588 29.700 -0.009 0.000 0.752 251 E HN 0.334 nan 8.360 nan 0.000 0.466 252 N N -0.657 118.045 118.700 0.002 0.000 2.467 252 N HA 0.053 4.788 4.740 -0.009 0.000 0.184 252 N C 0.704 176.131 175.510 -0.138 0.000 1.106 252 N CA 0.941 53.967 53.050 -0.040 0.000 0.892 252 N CB 0.690 39.157 38.487 -0.034 0.000 0.969 252 N HN 0.250 nan 8.380 nan 0.000 0.454 253 G N 1.055 109.717 108.800 -0.231 0.000 2.136 253 G HA2 -0.260 3.694 3.960 -0.009 0.000 0.242 253 G HA3 -0.260 3.694 3.960 -0.009 0.000 0.242 253 G C -0.262 174.181 174.900 -0.762 0.000 0.989 253 G CA 0.197 44.870 45.100 -0.711 0.000 0.682 253 G HN 0.383 nan 8.290 nan 0.000 0.522 254 D N 0.411 120.584 120.400 -0.378 0.000 2.639 254 D HA 0.405 5.040 4.640 -0.009 0.000 0.233 254 D C 0.715 176.969 176.300 -0.077 0.000 1.161 254 D CA -0.723 53.140 54.000 -0.229 0.000 1.003 254 D CB -0.827 39.902 40.800 -0.118 0.000 1.034 254 D HN 0.301 nan 8.370 nan 0.000 0.514 255 F N 2.154 122.102 119.950 -0.003 0.000 2.571 255 F HA 0.155 4.677 4.527 -0.008 0.000 0.384 255 F C -1.330 174.469 175.800 -0.001 0.000 1.058 255 F CA -1.990 56.019 58.000 0.016 0.000 1.200 255 F CB 0.280 39.300 39.000 0.034 0.000 1.077 255 F HN 0.140 nan 8.300 nan 0.000 0.558 256 P HA 0.053 nan 4.420 nan 0.000 0.267 256 P C -0.975 176.357 177.300 0.054 0.000 1.205 256 P CA 0.244 63.340 63.100 -0.007 0.000 0.765 256 P CB 0.591 32.349 31.700 0.098 0.000 0.828 257 E N 2.060 122.154 120.200 -0.176 0.000 2.317 257 E HA 0.431 4.776 4.350 -0.009 0.000 0.270 257 E C -0.988 175.620 176.600 0.013 0.000 0.885 257 E CA -0.553 55.909 56.400 0.104 0.000 0.760 257 E CB 2.130 31.902 29.700 0.120 0.000 1.227 257 E HN 0.461 nan 8.360 nan 0.000 0.434 258 W N 1.101 122.582 121.300 0.301 0.000 3.032 258 W HA 0.277 4.932 4.660 -0.008 0.000 0.335 258 W C -0.901 175.932 176.519 0.523 0.000 1.154 258 W CA -0.635 56.975 57.345 0.441 0.000 1.204 258 W CB 2.109 31.928 29.460 0.598 0.000 1.416 258 W HN 0.497 nan 8.180 nan 0.000 0.521 259 D N 1.731 122.557 120.400 0.709 0.000 2.210 259 D HA 0.326 4.961 4.640 -0.009 0.000 0.249 259 D C -0.683 175.853 176.300 0.393 0.000 1.078 259 D CA -0.355 53.960 54.000 0.525 0.000 0.875 259 D CB 1.663 42.764 40.800 0.500 0.000 1.175 259 D HN -0.030 nan 8.370 nan 0.000 0.440 260 L N 3.534 124.743 121.223 -0.024 0.000 2.264 260 L HA 0.490 4.824 4.340 -0.009 0.000 0.289 260 L C -1.608 175.001 176.870 -0.434 0.000 1.044 260 L CA -0.024 54.550 54.840 -0.444 0.000 0.807 260 L CB -0.039 41.634 42.059 -0.642 0.000 1.192 260 L HN 0.314 nan 8.230 nan 0.000 0.425 261 F N 3.827 123.618 119.950 -0.264 0.000 2.575 261 F HA 0.708 5.230 4.527 -0.009 0.000 0.330 261 F C -0.226 175.391 175.800 -0.306 0.000 1.056 261 F CA -0.823 57.078 58.000 -0.165 0.000 0.964 261 F CB 2.111 41.067 39.000 -0.074 0.000 1.258 261 F HN 0.203 nan 8.300 nan 0.000 0.484 262 V N 2.007 121.919 119.914 -0.003 0.000 2.638 262 V HA 0.453 4.568 4.120 -0.009 0.000 0.306 262 V C -1.244 174.794 176.094 -0.093 0.000 1.052 262 V CA -0.328 61.869 62.300 -0.171 0.000 0.885 262 V CB 1.974 33.663 31.823 -0.222 0.000 0.999 262 V HN 0.782 nan 8.190 nan 0.000 0.424 263 Q N 4.128 123.850 119.800 -0.129 0.000 2.293 263 Q HA 0.699 5.033 4.340 -0.009 0.000 0.261 263 Q C -1.336 174.717 176.000 0.088 0.000 0.960 263 Q CA -0.607 55.253 55.803 0.095 0.000 0.882 263 Q CB 2.480 31.413 28.738 0.324 0.000 1.275 263 Q HN 0.629 nan 8.270 nan 0.000 0.445 264 V N 3.690 123.623 119.914 0.032 0.000 2.487 264 V HA 0.455 4.570 4.120 -0.009 0.000 0.298 264 V C -1.096 174.988 176.094 -0.017 0.000 1.028 264 V CA -0.783 61.454 62.300 -0.104 0.000 0.860 264 V CB 1.615 33.158 31.823 -0.466 0.000 0.991 264 V HN 0.545 nan 8.190 nan 0.000 0.427 265 L N 4.293 125.527 121.223 0.018 0.000 2.404 265 L HA 0.570 4.905 4.340 -0.009 0.000 0.272 265 L C -0.329 176.606 176.870 0.109 0.000 0.980 265 L CA -0.006 54.809 54.840 -0.042 0.000 0.836 265 L CB 1.652 43.499 42.059 -0.353 0.000 1.238 265 L HN 0.727 nan 8.230 nan 0.000 0.408 266 D N 6.081 126.533 120.400 0.086 0.000 2.425 266 D HA 0.120 4.755 4.640 -0.009 0.000 0.247 266 D C -1.794 174.608 176.300 0.170 0.000 1.147 266 D CA -1.227 52.839 54.000 0.109 0.000 0.879 266 D CB 2.161 43.006 40.800 0.075 0.000 1.179 266 D HN 0.422 nan 8.370 nan 0.000 0.456 267 P HA -0.125 nan 4.420 nan 0.000 0.218 267 P C 0.688 178.079 177.300 0.151 0.000 1.146 267 P CA 1.129 64.401 63.100 0.287 0.000 0.813 267 P CB 0.172 31.967 31.700 0.157 0.000 0.778 268 A N -0.997 121.871 122.820 0.080 0.000 2.206 268 A HA -0.092 4.223 4.320 -0.009 0.000 0.211 268 A C 1.493 179.071 177.584 -0.010 0.000 1.158 268 A CA 1.239 53.292 52.037 0.026 0.000 0.761 268 A CB -0.684 18.326 19.000 0.018 0.000 0.801 268 A HN 0.046 nan 8.150 nan 0.000 0.473 269 D N -0.706 119.694 120.400 -0.000 0.000 2.395 269 D HA 0.079 4.714 4.640 -0.009 0.000 0.213 269 D C 1.913 178.174 176.300 -0.065 0.000 1.110 269 D CA 0.815 54.776 54.000 -0.064 0.000 0.835 269 D CB 0.549 41.313 40.800 -0.061 0.000 0.965 269 D HN 0.344 nan 8.370 nan 0.000 0.505 270 V N -1.210 118.692 119.914 -0.020 0.000 2.626 270 V HA -0.112 4.002 4.120 -0.009 0.000 0.252 270 V C 1.497 177.564 176.094 -0.045 0.000 1.067 270 V CA 1.251 63.539 62.300 -0.020 0.000 1.081 270 V CB -0.611 31.163 31.823 -0.082 0.000 0.686 270 V HN -0.018 nan 8.190 nan 0.000 0.468 271 E N 0.986 121.126 120.200 -0.099 0.000 2.511 271 E HA -0.002 4.343 4.350 -0.009 0.000 0.196 271 E C 1.234 177.721 176.600 -0.188 0.000 1.066 271 E CA 0.439 56.770 56.400 -0.116 0.000 0.871 271 E CB -0.272 29.366 29.700 -0.104 0.000 0.863 271 E HN 0.577 nan 8.360 nan 0.000 0.520 272 N N 0.036 118.530 118.700 -0.344 0.000 2.521 272 N HA 0.031 4.766 4.740 -0.009 0.000 0.188 272 N C -0.540 174.501 175.510 -0.781 0.000 1.146 272 N CA 0.582 53.272 53.050 -0.601 0.000 0.893 272 N CB 0.197 38.212 38.487 -0.786 0.000 0.975 272 N HN 0.052 nan 8.380 nan 0.000 0.451 273 F N -0.496 119.268 119.950 -0.310 0.000 2.639 273 F HA 0.232 4.754 4.527 -0.009 0.000 0.339 273 F C 1.046 176.716 175.800 -0.217 0.000 1.071 273 F CA -1.338 56.449 58.000 -0.354 0.000 0.994 273 F CB 0.705 39.137 39.000 -0.946 0.000 1.341 273 F HN -0.161 nan 8.300 nan 0.000 0.498 274 D N -0.359 120.150 120.400 0.182 0.000 2.325 274 D HA 0.085 4.720 4.640 -0.009 0.000 0.225 274 D C -0.518 175.940 176.300 0.263 0.000 1.096 274 D CA 0.172 54.287 54.000 0.190 0.000 0.844 274 D CB -0.735 40.196 40.800 0.218 0.000 0.925 274 D HN 0.266 nan 8.370 nan 0.000 0.513 275 F N -1.878 118.143 119.950 0.118 0.000 2.613 275 F HA 0.465 4.986 4.527 -0.009 0.000 0.310 275 F C -0.731 175.093 175.800 0.040 0.000 1.085 275 F CA -1.687 56.345 58.000 0.053 0.000 0.945 275 F CB 1.132 40.139 39.000 0.012 0.000 1.298 275 F HN -0.334 nan 8.300 nan 0.000 0.455 276 D N 4.431 124.890 120.400 0.098 0.000 2.338 276 D HA 0.198 4.833 4.640 -0.009 0.000 0.255 276 D C -1.550 174.804 176.300 0.090 0.000 1.237 276 D CA -2.120 51.882 54.000 0.004 0.000 0.883 276 D CB 1.547 42.367 40.800 0.032 0.000 1.087 276 D HN 0.357 nan 8.370 nan 0.000 0.485 277 P HA -0.130 nan 4.420 nan 0.000 0.223 277 P C 1.307 178.717 177.300 0.183 0.000 1.144 277 P CA 0.268 63.431 63.100 0.103 0.000 0.783 277 P CB 0.498 32.040 31.700 -0.263 0.000 0.771 278 L N -0.358 120.867 121.223 0.003 0.000 2.591 278 L HA 0.140 4.474 4.340 -0.009 0.000 0.228 278 L C 0.717 177.598 176.870 0.018 0.000 1.133 278 L CA 0.557 55.377 54.840 -0.033 0.000 0.880 278 L CB -1.166 40.844 42.059 -0.081 0.000 1.033 278 L HN -0.125 nan 8.230 nan 0.000 0.450 279 D N -0.392 120.049 120.400 0.069 0.000 2.339 279 D HA 0.158 4.793 4.640 -0.009 0.000 0.256 279 D C 1.156 177.481 176.300 0.041 0.000 1.214 279 D CA 0.361 54.401 54.000 0.067 0.000 0.877 279 D CB 1.551 42.406 40.800 0.093 0.000 1.111 279 D HN 0.132 nan 8.370 nan 0.000 0.478 280 A N 2.991 125.838 122.820 0.045 0.000 2.209 280 A HA -0.076 4.238 4.320 -0.009 0.000 0.212 280 A C 1.750 179.334 177.584 -0.000 0.000 1.158 280 A CA 1.333 53.377 52.037 0.011 0.000 0.742 280 A CB -0.553 18.496 19.000 0.081 0.000 0.790 280 A HN 0.651 nan 8.150 nan 0.000 0.472 281 T N -2.854 111.709 114.554 0.015 0.000 3.148 281 T HA 0.173 4.518 4.350 -0.009 0.000 0.253 281 T C 0.475 175.121 174.700 -0.089 0.000 1.134 281 T CA 0.067 62.155 62.100 -0.020 0.000 1.051 281 T CB -0.005 68.861 68.868 -0.003 0.000 0.959 281 T HN 0.096 nan 8.240 nan 0.000 0.525 282 K N 1.964 122.289 120.400 -0.125 0.000 2.270 282 K HA 0.535 4.850 4.320 -0.009 0.000 0.255 282 K C -1.015 175.383 176.600 -0.335 0.000 0.936 282 K CA -0.671 55.456 56.287 -0.267 0.000 0.809 282 K CB 2.021 34.382 32.500 -0.232 0.000 1.131 282 K HN 0.126 nan 8.250 nan 0.000 0.427 283 D N 0.652 120.753 120.400 -0.499 0.000 2.268 283 D HA 0.356 4.991 4.640 -0.009 0.000 0.249 283 D C -0.868 175.153 176.300 -0.466 0.000 1.008 283 D CA -0.349 53.369 54.000 -0.470 0.000 0.939 283 D CB 0.717 41.257 40.800 -0.435 0.000 1.170 283 D HN 0.194 nan 8.370 nan 0.000 0.468 284 W N 2.993 124.012 121.300 -0.468 0.000 2.322 284 W HA 0.364 5.018 4.660 -0.010 0.000 0.321 284 W C -0.485 175.961 176.519 -0.122 0.000 0.991 284 W CA -1.225 55.942 57.345 -0.297 0.000 1.448 284 W CB -0.596 28.795 29.460 -0.116 0.000 1.239 284 W HN 0.195 nan 8.180 nan 0.000 0.399 285 F N 1.693 121.775 119.950 0.220 0.000 2.572 285 F HA -0.067 4.455 4.527 -0.008 0.000 0.370 285 F C 1.944 177.845 175.800 0.168 0.000 1.103 285 F CA 0.236 58.331 58.000 0.157 0.000 1.286 285 F CB 0.821 39.876 39.000 0.093 0.000 1.105 285 F HN 0.417 nan 8.300 nan 0.000 0.583 286 E N 1.468 121.833 120.200 0.276 0.000 2.160 286 E HA -0.255 4.090 4.350 -0.009 0.000 0.195 286 E C 1.426 178.053 176.600 0.046 0.000 0.991 286 E CA 1.464 57.870 56.400 0.010 0.000 0.810 286 E CB 0.037 29.395 29.700 -0.570 0.000 0.742 286 E HN 0.662 nan 8.360 nan 0.000 0.466 287 D N -0.158 120.297 120.400 0.090 0.000 2.149 287 D HA -0.163 4.471 4.640 -0.009 0.000 0.198 287 D C 1.992 178.375 176.300 0.139 0.000 0.990 287 D CA 1.750 55.798 54.000 0.081 0.000 0.839 287 D CB 0.141 40.977 40.800 0.061 0.000 0.948 287 D HN 0.325 nan 8.370 nan 0.000 0.460 288 V N -1.517 118.534 119.914 0.228 0.000 2.949 288 V HA 0.214 4.328 4.120 -0.009 0.000 0.245 288 V C 0.868 177.077 176.094 0.193 0.000 1.086 288 V CA 0.322 62.762 62.300 0.233 0.000 1.097 288 V CB 0.404 32.429 31.823 0.336 0.000 0.762 288 V HN -0.052 nan 8.190 nan 0.000 0.470 289 I N 2.405 123.098 120.570 0.205 0.000 2.468 289 I HA 0.478 4.643 4.170 -0.009 0.000 0.284 289 I C -2.736 173.544 176.117 0.272 0.000 1.038 289 I CA -2.136 59.282 61.300 0.195 0.000 1.083 289 I CB 2.219 40.298 38.000 0.133 0.000 1.223 289 I HN 0.108 nan 8.210 nan 0.000 0.443 290 P HA 0.065 nan 4.420 nan 0.000 0.269 290 P C -0.718 176.840 177.300 0.431 0.000 1.215 290 P CA -0.026 63.215 63.100 0.236 0.000 0.780 290 P CB 0.314 32.120 31.700 0.178 0.000 0.898 291 F N 1.304 121.318 119.950 0.107 0.000 2.412 291 F HA 0.259 4.781 4.527 -0.008 0.000 0.348 291 F C 1.114 177.112 175.800 0.329 0.000 1.102 291 F CA -0.075 58.024 58.000 0.164 0.000 1.196 291 F CB 0.056 39.007 39.000 -0.082 0.000 1.144 291 F HN 0.217 nan 8.300 nan 0.000 0.541 292 Q N 2.137 122.256 119.800 0.532 0.000 2.325 292 Q HA 0.184 4.518 4.340 -0.009 0.000 0.270 292 Q C -0.391 175.833 176.000 0.373 0.000 1.020 292 Q CA -0.676 55.391 55.803 0.440 0.000 0.785 292 Q CB 2.267 31.189 28.738 0.307 0.000 1.259 292 Q HN 0.576 nan 8.270 nan 0.000 0.452 293 H N 2.430 121.591 119.070 0.152 0.000 2.964 293 H HA 0.021 4.572 4.556 -0.009 0.000 0.328 293 H C 0.059 175.303 175.328 -0.142 0.000 1.030 293 H CA 0.433 56.278 56.048 -0.339 0.000 1.445 293 H CB 0.913 30.509 29.762 -0.276 0.000 1.449 293 H HN 0.483 nan 8.280 nan 0.000 0.581 294 V N 4.087 123.638 119.914 -0.605 0.000 2.743 294 V HA 0.276 4.391 4.120 -0.009 0.000 0.237 294 V C 1.225 177.107 176.094 -0.352 0.000 1.113 294 V CA 0.989 63.127 62.300 -0.270 0.000 1.141 294 V CB 0.604 32.402 31.823 -0.043 0.000 0.873 294 V HN 0.992 nan 8.190 nan 0.000 0.486 295 G N -0.631 107.815 108.800 -0.591 0.000 2.348 295 G HA2 0.479 4.433 3.960 -0.009 0.000 0.296 295 G HA3 0.479 4.433 3.960 -0.009 0.000 0.296 295 G C -1.091 173.622 174.900 -0.312 0.000 1.258 295 G CA 0.402 45.223 45.100 -0.465 0.000 0.868 295 G HN 0.289 nan 8.290 nan 0.000 0.488 296 T N -1.420 112.915 114.554 -0.365 0.000 2.971 296 T HA 0.612 4.956 4.350 -0.009 0.000 0.304 296 T C -0.598 174.147 174.700 0.075 0.000 1.038 296 T CA -0.302 61.828 62.100 0.050 0.000 1.007 296 T CB 1.467 70.428 68.868 0.156 0.000 1.055 296 T HN 0.985 nan 8.240 nan 0.000 0.451 297 M N 3.844 123.758 119.600 0.523 0.000 2.238 297 M HA 0.570 5.045 4.480 -0.009 0.000 0.350 297 M C -1.132 175.384 176.300 0.360 0.000 1.138 297 M CA -0.116 55.471 55.300 0.478 0.000 1.040 297 M CB 1.334 34.256 32.600 0.536 0.000 1.639 297 M HN 0.700 nan 8.290 nan 0.000 0.451 298 T N 5.797 120.477 114.554 0.211 0.000 2.809 298 T HA 0.474 4.818 4.350 -0.009 0.000 0.284 298 T C -0.901 173.841 174.700 0.071 0.000 0.992 298 T CA -0.574 61.625 62.100 0.165 0.000 0.957 298 T CB 0.933 69.859 68.868 0.098 0.000 0.942 298 T HN 0.440 nan 8.240 nan 0.000 0.439 299 L N 5.176 126.471 121.223 0.119 0.000 2.268 299 L HA 0.400 4.734 4.340 -0.009 0.000 0.289 299 L C 0.982 177.744 176.870 -0.179 0.000 1.064 299 L CA -0.318 54.532 54.840 0.016 0.000 0.824 299 L CB 0.269 42.416 42.059 0.148 0.000 1.202 299 L HN 0.693 nan 8.230 nan 0.000 0.433 300 N N 1.515 119.955 118.700 -0.434 0.000 2.170 300 N HA 0.098 4.833 4.740 -0.009 0.000 0.222 300 N C -0.084 175.111 175.510 -0.525 0.000 1.218 300 N CA -0.285 52.096 53.050 -1.115 0.000 0.889 300 N CB 0.558 38.145 38.487 -1.501 0.000 1.083 300 N HN 0.413 nan 8.380 nan 0.000 0.520 301 K N 0.392 120.677 120.400 -0.191 0.000 2.581 301 K HA 0.300 4.615 4.320 -0.009 0.000 0.249 301 K C -1.148 175.470 176.600 0.031 0.000 0.966 301 K CA -0.579 55.674 56.287 -0.058 0.000 0.811 301 K CB 1.137 33.606 32.500 -0.051 0.000 1.223 301 K HN -0.113 nan 8.250 nan 0.000 0.438 302 N N 1.525 120.217 118.700 -0.013 0.000 2.371 302 N HA 0.026 4.761 4.740 -0.009 0.000 0.243 302 N C 0.092 175.707 175.510 0.175 0.000 1.287 302 N CA -0.018 53.033 53.050 0.002 0.000 0.911 302 N CB 0.793 39.119 38.487 -0.268 0.000 1.142 302 N HN 0.461 nan 8.380 nan 0.000 0.451 303 V N -0.768 119.280 119.914 0.224 0.000 2.999 303 V HA 0.023 4.137 4.120 -0.009 0.000 0.307 303 V C 0.892 177.123 176.094 0.227 0.000 1.084 303 V CA -0.011 62.450 62.300 0.269 0.000 1.155 303 V CB 0.587 32.528 31.823 0.197 0.000 0.975 303 V HN 0.476 nan 8.190 nan 0.000 0.490 304 D N 1.320 121.815 120.400 0.159 0.000 2.194 304 D HA 0.022 4.656 4.640 -0.009 0.000 0.204 304 D C 0.691 177.077 176.300 0.142 0.000 0.964 304 D CA 1.434 55.508 54.000 0.123 0.000 0.846 304 D CB 0.042 40.875 40.800 0.054 0.000 0.962 304 D HN 0.813 nan 8.370 nan 0.000 0.490 305 N N -0.841 117.942 118.700 0.139 0.000 2.425 305 N HA -0.046 4.689 4.740 -0.009 0.000 0.289 305 N C -0.298 175.323 175.510 0.184 0.000 1.074 305 N CA -0.337 52.812 53.050 0.164 0.000 0.905 305 N CB 1.239 39.801 38.487 0.125 0.000 1.586 305 N HN -0.156 nan 8.380 nan 0.000 0.490 306 Y N 4.214 124.591 120.300 0.129 0.000 2.133 306 Y HA -0.131 4.414 4.550 -0.009 0.000 0.287 306 Y C 1.887 177.850 175.900 0.106 0.000 1.134 306 Y CA 1.610 59.782 58.100 0.120 0.000 1.133 306 Y CB -0.124 38.420 38.460 0.141 0.000 0.987 306 Y HN 0.680 nan 8.280 nan 0.000 0.502 307 F N 0.573 120.677 119.950 0.257 0.000 2.069 307 F HA -0.264 4.257 4.527 -0.009 0.000 0.298 307 F C 2.292 178.086 175.800 -0.009 0.000 1.113 307 F CA 1.999 60.082 58.000 0.139 0.000 1.214 307 F CB -0.585 38.484 39.000 0.115 0.000 0.978 307 F HN 0.080 nan 8.300 nan 0.000 0.474 308 A N -0.960 121.843 122.820 -0.028 0.000 2.119 308 A HA -0.034 4.281 4.320 -0.009 0.000 0.217 308 A C 1.836 179.249 177.584 -0.285 0.000 1.153 308 A CA 1.585 53.521 52.037 -0.169 0.000 0.692 308 A CB -0.428 18.559 19.000 -0.021 0.000 0.799 308 A HN 0.606 nan 8.150 nan 0.000 0.458 309 E N -1.824 118.203 120.200 -0.289 0.000 2.329 309 E HA 0.010 4.354 4.350 -0.009 0.000 0.189 309 E C 1.883 178.222 176.600 -0.436 0.000 0.997 309 E CA 0.735 56.867 56.400 -0.447 0.000 1.062 309 E CB -0.107 29.364 29.700 -0.382 0.000 1.260 309 E HN 0.353 nan 8.360 nan 0.000 0.490 310 T N 1.380 115.717 114.554 -0.362 0.000 2.746 310 T HA -0.160 4.185 4.350 -0.009 0.000 0.267 310 T C 1.809 176.251 174.700 -0.430 0.000 1.039 310 T CA 1.715 63.563 62.100 -0.421 0.000 1.142 310 T CB -0.130 68.132 68.868 -1.010 0.000 0.866 310 T HN 0.024 nan 8.240 nan 0.000 0.444 311 E N 0.967 120.882 120.200 -0.476 0.000 2.158 311 E HA 0.038 4.383 4.350 -0.009 0.000 0.191 311 E C 2.180 178.549 176.600 -0.383 0.000 0.982 311 E CA 0.769 56.984 56.400 -0.309 0.000 0.823 311 E CB -0.232 29.377 29.700 -0.152 0.000 0.766 311 E HN 0.283 nan 8.360 nan 0.000 0.468 312 S N -0.745 114.659 115.700 -0.492 0.000 2.503 312 S HA 0.119 4.583 4.470 -0.009 0.000 0.217 312 S C 0.462 174.859 174.600 -0.339 0.000 0.999 312 S CA -0.030 57.900 58.200 -0.449 0.000 0.914 312 S CB 0.374 63.270 63.200 -0.507 0.000 0.782 312 S HN 0.193 nan 8.310 nan 0.000 0.520 313 V N 2.278 121.975 119.914 -0.361 0.000 2.763 313 V HA 0.471 4.586 4.120 -0.009 0.000 0.306 313 V C 0.439 176.278 176.094 -0.424 0.000 1.059 313 V CA 0.377 62.419 62.300 -0.431 0.000 1.138 313 V CB 0.641 32.157 31.823 -0.511 0.000 0.940 313 V HN 0.317 nan 8.190 nan 0.000 0.489 314 G N 5.496 114.029 108.800 -0.445 0.000 2.566 314 G HA2 0.688 4.643 3.960 -0.009 0.000 0.311 314 G HA3 0.688 4.643 3.960 -0.009 0.000 0.311 314 G C -1.432 173.206 174.900 -0.436 0.000 1.322 314 G CA -0.560 44.334 45.100 -0.343 0.000 0.969 314 G HN 0.574 nan 8.290 nan 0.000 0.490 315 F N 0.801 120.726 119.950 -0.043 0.000 2.579 315 F HA 0.624 5.146 4.527 -0.009 0.000 0.324 315 F C 0.133 175.861 175.800 -0.120 0.000 1.058 315 F CA -1.182 56.759 58.000 -0.099 0.000 0.944 315 F CB 2.774 41.666 39.000 -0.181 0.000 1.245 315 F HN 0.373 nan 8.300 nan 0.000 0.477 316 N N 1.745 120.429 118.700 -0.026 0.000 2.478 316 N HA 0.316 5.051 4.740 -0.009 0.000 0.291 316 N C -2.432 172.919 175.510 -0.265 0.000 1.090 316 N CA -2.284 50.611 53.050 -0.258 0.000 0.911 316 N CB 2.569 41.037 38.487 -0.031 0.000 1.546 316 N HN 0.075 nan 8.380 nan 0.000 0.500 317 P HA 0.027 nan 4.420 nan 0.000 0.225 317 P C 0.846 178.191 177.300 0.073 0.000 1.148 317 P CA 0.874 63.870 63.100 -0.175 0.000 0.779 317 P CB 0.173 31.786 31.700 -0.146 0.000 0.780 318 G N -0.484 108.333 108.800 0.028 0.000 3.284 318 G HA2 0.150 4.104 3.960 -0.009 0.000 0.236 318 G HA3 0.150 4.104 3.960 -0.009 0.000 0.236 318 G C 0.162 175.122 174.900 0.100 0.000 1.158 318 G CA -0.031 45.134 45.100 0.109 0.000 0.774 318 G HN 0.122 nan 8.290 nan 0.000 0.545 319 V N 2.334 122.299 119.914 0.085 0.000 2.313 319 V HA 0.375 4.490 4.120 -0.009 0.000 0.252 319 V C -0.033 176.183 176.094 0.204 0.000 1.112 319 V CA 0.039 62.401 62.300 0.104 0.000 0.984 319 V CB 0.150 32.011 31.823 0.065 0.000 1.157 319 V HN 0.161 nan 8.190 nan 0.000 0.493 320 L N 5.023 126.345 121.223 0.166 0.000 2.323 320 L HA 0.736 5.071 4.340 -0.009 0.000 0.265 320 L C -0.094 176.802 176.870 0.043 0.000 1.012 320 L CA -1.110 53.812 54.840 0.136 0.000 0.820 320 L CB 2.282 44.382 42.059 0.068 0.000 1.334 320 L HN 0.411 nan 8.230 nan 0.000 0.427 321 V N -1.289 118.589 119.914 -0.059 0.000 2.973 321 V HA 0.567 4.681 4.120 -0.009 0.000 0.314 321 V C -2.483 173.570 176.094 -0.067 0.000 1.066 321 V CA -2.481 59.797 62.300 -0.036 0.000 1.021 321 V CB 0.607 32.426 31.823 -0.006 0.000 1.076 321 V HN 0.527 nan 8.190 nan 0.000 0.462 322 P HA 0.357 nan 4.420 nan 0.000 0.265 322 P C 0.858 178.102 177.300 -0.094 0.000 1.193 322 P CA 1.632 64.744 63.100 0.020 0.000 0.765 322 P CB 0.725 32.537 31.700 0.186 0.000 0.823 323 G N 1.360 110.089 108.800 -0.118 0.000 2.201 323 G HA2 -0.185 3.769 3.960 -0.009 0.000 0.212 323 G HA3 -0.185 3.769 3.960 -0.009 0.000 0.212 323 G C -0.088 174.665 174.900 -0.245 0.000 0.994 323 G CA -0.371 44.605 45.100 -0.207 0.000 0.644 323 G HN 0.469 nan 8.290 nan 0.000 0.508 324 M N 0.455 119.948 119.600 -0.177 0.000 2.393 324 M HA 0.745 5.219 4.480 -0.009 0.000 0.299 324 M C -0.679 175.646 176.300 0.041 0.000 1.103 324 M CA -0.527 54.719 55.300 -0.089 0.000 0.910 324 M CB 2.537 34.968 32.600 -0.282 0.000 1.659 324 M HN 0.066 nan 8.290 nan 0.000 0.445 325 L N 3.431 124.744 121.223 0.151 0.000 2.424 325 L HA 0.692 5.026 4.340 -0.009 0.000 0.258 325 L C -2.397 174.614 176.870 0.234 0.000 0.995 325 L CA -1.914 53.013 54.840 0.145 0.000 0.821 325 L CB 3.045 45.152 42.059 0.080 0.000 1.383 325 L HN 0.392 nan 8.230 nan 0.000 0.410 326 P HA 0.109 nan 4.420 nan 0.000 0.274 326 P C -0.727 176.576 177.300 0.004 0.000 1.231 326 P CA -0.322 62.833 63.100 0.092 0.000 0.790 326 P CB 1.266 32.978 31.700 0.020 0.000 0.951 327 S N 0.887 116.515 115.700 -0.120 0.000 2.632 327 S HA 0.146 4.611 4.470 -0.009 0.000 0.267 327 S C 1.029 175.606 174.600 -0.038 0.000 1.276 327 S CA -0.295 57.911 58.200 0.012 0.000 0.998 327 S CB 0.375 63.608 63.200 0.055 0.000 0.953 327 S HN 0.309 nan 8.310 nan 0.000 0.547 328 E N 0.343 120.574 120.200 0.051 0.000 2.401 328 E HA -0.033 4.312 4.350 -0.009 0.000 0.199 328 E C 0.144 176.721 176.600 -0.038 0.000 1.023 328 E CA 0.543 56.953 56.400 0.017 0.000 0.859 328 E CB -0.304 29.440 29.700 0.074 0.000 0.780 328 E HN 0.691 nan 8.360 nan 0.000 0.523 329 D N 1.360 121.712 120.400 -0.081 0.000 2.982 329 D HA -0.173 4.461 4.640 -0.009 0.000 0.222 329 D C 0.460 176.688 176.300 -0.120 0.000 1.124 329 D CA 0.605 54.539 54.000 -0.109 0.000 0.810 329 D CB 0.552 41.245 40.800 -0.178 0.000 1.152 329 D HN 0.119 nan 8.370 nan 0.000 0.538 330 K N 3.167 123.535 120.400 -0.053 0.000 2.288 330 K HA -0.127 4.188 4.320 -0.009 0.000 0.201 330 K C 1.700 178.273 176.600 -0.044 0.000 1.048 330 K CA 0.204 56.469 56.287 -0.037 0.000 0.956 330 K CB 0.204 32.706 32.500 0.004 0.000 0.746 330 K HN 0.352 nan 8.250 nan 0.000 0.461 331 L N 0.945 122.142 121.223 -0.044 0.000 2.068 331 L HA -0.090 4.244 4.340 -0.009 0.000 0.204 331 L C 2.009 178.741 176.870 -0.230 0.000 1.076 331 L CA 1.109 55.923 54.840 -0.043 0.000 0.753 331 L CB -0.365 41.746 42.059 0.087 0.000 0.910 331 L HN 0.056 nan 8.230 nan 0.000 0.439 332 L N -0.570 120.336 121.223 -0.528 0.000 2.042 332 L HA -0.226 4.109 4.340 -0.009 0.000 0.210 332 L C 2.440 179.092 176.870 -0.363 0.000 1.076 332 L CA 1.766 56.121 54.840 -0.807 0.000 0.749 332 L CB -0.907 40.471 42.059 -1.135 0.000 0.893 332 L HN 0.376 nan 8.230 nan 0.000 0.432 333 Q N -0.189 119.469 119.800 -0.237 0.000 2.152 333 Q HA -0.172 4.163 4.340 -0.009 0.000 0.206 333 Q C 2.085 178.059 176.000 -0.043 0.000 0.985 333 Q CA 1.731 57.465 55.803 -0.115 0.000 0.863 333 Q CB -0.718 27.973 28.738 -0.079 0.000 0.904 333 Q HN 0.719 nan 8.270 nan 0.000 0.422 334 G N 0.579 109.355 108.800 -0.039 0.000 2.403 334 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.216 334 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.216 334 G C 1.519 176.458 174.900 0.064 0.000 1.154 334 G CA 0.240 45.360 45.100 0.034 0.000 0.784 334 G HN 0.256 nan 8.290 nan 0.000 0.538 335 R N 0.057 120.552 120.500 -0.010 0.000 2.091 335 R HA -0.019 4.315 4.340 -0.009 0.000 0.238 335 R C 2.566 178.955 176.300 0.149 0.000 1.136 335 R CA 1.102 57.269 56.100 0.111 0.000 0.959 335 R CB -0.603 29.725 30.300 0.047 0.000 0.856 335 R HN 0.340 nan 8.270 nan 0.000 0.437 336 L N -0.349 120.905 121.223 0.051 0.000 2.051 336 L HA -0.258 4.077 4.340 -0.009 0.000 0.214 336 L C 2.382 179.343 176.870 0.152 0.000 1.076 336 L CA 1.496 56.380 54.840 0.073 0.000 0.758 336 L CB -0.584 41.509 42.059 0.056 0.000 0.890 336 L HN 0.173 nan 8.230 nan 0.000 0.433 337 F N -0.011 119.962 119.950 0.039 0.000 2.149 337 F HA -0.123 4.398 4.527 -0.010 0.000 0.294 337 F C 2.792 178.626 175.800 0.056 0.000 1.095 337 F CA 1.450 59.474 58.000 0.040 0.000 1.276 337 F CB -0.420 38.589 39.000 0.014 0.000 1.023 337 F HN -0.059 nan 8.300 nan 0.000 0.480 338 S N -0.589 115.015 115.700 -0.159 0.000 2.356 338 S HA -0.234 4.230 4.470 -0.009 0.000 0.223 338 S C 2.089 176.480 174.600 -0.349 0.000 1.032 338 S CA 1.707 59.697 58.200 -0.351 0.000 1.005 338 S CB -0.770 62.318 63.200 -0.187 0.000 0.867 338 S HN 0.528 nan 8.310 nan 0.000 0.449 339 Y N 1.565 121.720 120.300 -0.242 0.000 2.089 339 Y HA -0.097 4.448 4.550 -0.010 0.000 0.282 339 Y C 3.166 178.927 175.900 -0.231 0.000 1.139 339 Y CA 1.700 59.684 58.100 -0.192 0.000 1.123 339 Y CB -0.691 37.695 38.460 -0.123 0.000 0.980 339 Y HN 0.234 nan 8.280 nan 0.000 0.493 340 S N -0.462 115.225 115.700 -0.023 0.000 2.399 340 S HA -0.216 4.248 4.470 -0.009 0.000 0.231 340 S C 1.599 176.090 174.600 -0.182 0.000 1.022 340 S CA 1.505 59.674 58.200 -0.052 0.000 0.983 340 S CB -0.452 62.803 63.200 0.091 0.000 0.803 340 S HN 0.525 nan 8.310 nan 0.000 0.480 341 D N 0.896 121.093 120.400 -0.339 0.000 2.097 341 D HA -0.108 4.527 4.640 -0.009 0.000 0.197 341 D C 2.062 178.202 176.300 -0.267 0.000 0.984 341 D CA 1.641 55.386 54.000 -0.424 0.000 0.826 341 D CB -0.430 39.734 40.800 -1.059 0.000 0.973 341 D HN 0.256 nan 8.370 nan 0.000 0.460 342 T N -1.187 113.203 114.554 -0.273 0.000 2.904 342 T HA -0.098 4.247 4.350 -0.009 0.000 0.267 342 T C 1.810 176.415 174.700 -0.160 0.000 1.059 342 T CA 1.256 63.267 62.100 -0.147 0.000 1.137 342 T CB -0.152 68.619 68.868 -0.162 0.000 0.879 342 T HN 0.193 nan 8.240 nan 0.000 0.467 343 Q N -0.020 119.583 119.800 -0.328 0.000 2.172 343 Q HA 0.061 4.396 4.340 -0.009 0.000 0.200 343 Q C 2.485 178.188 176.000 -0.496 0.000 0.964 343 Q CA 1.051 56.516 55.803 -0.564 0.000 0.855 343 Q CB -0.019 28.091 28.738 -1.048 0.000 0.918 343 Q HN 0.416 nan 8.270 nan 0.000 0.444 344 R N -0.722 119.611 120.500 -0.277 0.000 2.152 344 R HA -0.168 4.167 4.340 -0.009 0.000 0.232 344 R C 1.983 178.288 176.300 0.008 0.000 1.117 344 R CA 1.545 57.626 56.100 -0.032 0.000 0.981 344 R CB -0.161 30.175 30.300 0.060 0.000 0.870 344 R HN 0.413 nan 8.270 nan 0.000 0.451 345 H N 0.192 119.201 119.070 -0.102 0.000 2.344 345 H HA 0.074 4.624 4.556 -0.009 0.000 0.307 345 H C 2.122 177.406 175.328 -0.074 0.000 1.057 345 H CA 1.248 57.256 56.048 -0.067 0.000 1.373 345 H CB 0.032 29.756 29.762 -0.065 0.000 1.421 345 H HN -0.062 nan 8.280 nan 0.000 0.532 346 R N -0.000 120.209 120.500 -0.484 0.000 2.075 346 R HA -0.018 4.317 4.340 -0.009 0.000 0.232 346 R C 1.432 177.559 176.300 -0.289 0.000 1.126 346 R CA 2.190 58.002 56.100 -0.480 0.000 0.963 346 R CB -0.036 30.092 30.300 -0.288 0.000 0.858 346 R HN 0.528 nan 8.270 nan 0.000 0.435 347 I N -1.389 119.040 120.570 -0.235 0.000 3.718 347 I HA 0.337 4.502 4.170 -0.009 0.000 0.297 347 I C 0.642 176.723 176.117 -0.059 0.000 1.220 347 I CA 0.380 61.589 61.300 -0.152 0.000 1.381 347 I CB 1.136 39.039 38.000 -0.163 0.000 1.238 347 I HN 0.366 nan 8.210 nan 0.000 0.448 348 G N 0.783 109.563 108.800 -0.033 0.000 2.334 348 G HA2 -0.010 3.944 3.960 -0.009 0.000 0.566 348 G HA3 -0.010 3.944 3.960 -0.009 0.000 0.566 348 G C -2.719 172.265 174.900 0.140 0.000 1.413 348 G CA -0.848 44.278 45.100 0.044 0.000 0.993 348 G HN -0.254 nan 8.290 nan 0.000 0.642 349 P HA -0.049 nan 4.420 nan 0.000 0.218 349 P C 1.050 178.421 177.300 0.117 0.000 1.148 349 P CA 1.132 64.310 63.100 0.130 0.000 0.822 349 P CB 0.160 31.908 31.700 0.081 0.000 0.784 350 N N -1.132 117.617 118.700 0.080 0.000 2.376 350 N HA 0.036 4.771 4.740 -0.009 0.000 0.249 350 N C 1.006 176.505 175.510 -0.018 0.000 1.140 350 N CA -0.198 52.857 53.050 0.007 0.000 0.870 350 N CB -0.487 38.012 38.487 0.020 0.000 1.124 350 N HN 0.348 nan 8.380 nan 0.000 0.505 351 Y N 0.302 120.574 120.300 -0.046 0.000 2.241 351 Y HA -0.107 4.438 4.550 -0.009 0.000 0.286 351 Y C 1.786 177.632 175.900 -0.090 0.000 1.166 351 Y CA 1.200 59.253 58.100 -0.080 0.000 1.203 351 Y CB -0.232 38.171 38.460 -0.095 0.000 0.977 351 Y HN -0.059 nan 8.280 nan 0.000 0.529 352 Q N 0.961 120.329 119.800 -0.719 0.000 2.500 352 Q HA -0.119 4.215 4.340 -0.009 0.000 0.213 352 Q C 1.635 177.486 176.000 -0.249 0.000 0.974 352 Q CA 1.205 56.682 55.803 -0.543 0.000 0.918 352 Q CB -0.185 28.196 28.738 -0.596 0.000 0.980 352 Q HN 0.788 nan 8.270 nan 0.000 0.505 353 Q N -0.626 119.071 119.800 -0.173 0.000 2.424 353 Q HA 0.126 4.461 4.340 -0.009 0.000 0.204 353 Q C 0.210 176.145 176.000 -0.108 0.000 0.933 353 Q CA -0.109 55.633 55.803 -0.102 0.000 0.929 353 Q CB 0.418 29.130 28.738 -0.043 0.000 1.037 353 Q HN 0.284 nan 8.270 nan 0.000 0.511 354 L N 2.388 123.540 121.223 -0.118 0.000 2.453 354 L HA -0.003 4.332 4.340 -0.009 0.000 0.272 354 L C -1.458 175.320 176.870 -0.154 0.000 1.182 354 L CA -1.270 53.484 54.840 -0.144 0.000 0.858 354 L CB 0.202 42.181 42.059 -0.133 0.000 1.120 354 L HN -0.085 nan 8.230 nan 0.000 0.474 355 P HA -0.273 nan 4.420 nan 0.000 0.220 355 P C 1.520 178.715 177.300 -0.174 0.000 1.155 355 P CA 1.377 64.373 63.100 -0.173 0.000 0.880 355 P CB 0.179 31.768 31.700 -0.186 0.000 0.790 356 I N -1.386 119.056 120.570 -0.214 0.000 2.676 356 I HA -0.119 4.045 4.170 -0.009 0.000 0.259 356 I C 1.362 177.402 176.117 -0.129 0.000 1.194 356 I CA 1.569 62.710 61.300 -0.265 0.000 1.473 356 I CB -0.442 37.283 38.000 -0.457 0.000 1.096 356 I HN -0.108 nan 8.210 nan 0.000 0.443 357 N N -0.990 117.643 118.700 -0.112 0.000 2.322 357 N HA 0.050 4.784 4.740 -0.009 0.000 0.181 357 N C 0.440 175.944 175.510 -0.010 0.000 1.088 357 N CA 0.105 53.107 53.050 -0.080 0.000 0.885 357 N CB -0.287 38.134 38.487 -0.109 0.000 1.013 357 N HN 0.247 nan 8.380 nan 0.000 0.472 358 C N 3.869 123.164 119.300 -0.008 0.000 2.596 358 C HA 0.136 4.591 4.460 -0.009 0.000 0.414 358 C C -1.841 173.221 174.990 0.119 0.000 1.396 358 C CA -0.965 58.050 59.018 -0.006 0.000 1.698 358 C CB -0.106 27.599 27.740 -0.057 0.000 2.572 358 C HN 0.254 nan 8.230 nan 0.000 0.604 359 P HA 0.099 nan 4.420 nan 0.000 0.272 359 P C 0.336 177.748 177.300 0.186 0.000 1.240 359 P CA -0.096 63.111 63.100 0.178 0.000 0.791 359 P CB 0.267 32.011 31.700 0.073 0.000 0.978 360 F N 1.375 121.399 119.950 0.123 0.000 2.234 360 F HA 0.197 4.718 4.527 -0.009 0.000 0.296 360 F C 0.907 176.717 175.800 0.015 0.000 1.089 360 F CA 0.436 58.462 58.000 0.043 0.000 1.343 360 F CB -0.363 38.679 39.000 0.069 0.000 1.040 360 F HN 0.259 nan 8.300 nan 0.000 0.498 361 A N 1.424 124.302 122.820 0.097 0.000 2.440 361 A HA 0.200 4.514 4.320 -0.009 0.000 0.251 361 A C -0.090 177.422 177.584 -0.119 0.000 1.089 361 A CA -0.408 51.608 52.037 -0.035 0.000 0.779 361 A CB -0.025 19.015 19.000 0.067 0.000 1.022 361 A HN 0.471 nan 8.150 nan 0.000 0.492 362 Q N 1.273 120.977 119.800 -0.160 0.000 2.361 362 Q HA 0.315 4.650 4.340 -0.009 0.000 0.276 362 Q C -0.732 175.203 176.000 -0.107 0.000 1.022 362 Q CA 0.562 56.280 55.803 -0.141 0.000 0.898 362 Q CB 0.564 29.218 28.738 -0.141 0.000 1.246 362 Q HN 0.477 nan 8.270 nan 0.000 0.410 363 V N 5.619 125.470 119.914 -0.105 0.000 2.370 363 V HA 0.429 4.544 4.120 -0.009 0.000 0.279 363 V C -0.496 175.528 176.094 -0.115 0.000 1.029 363 V CA -0.688 61.552 62.300 -0.099 0.000 0.870 363 V CB 1.218 32.986 31.823 -0.092 0.000 0.984 363 V HN 0.786 nan 8.190 nan 0.000 0.451 364 N N 5.010 123.635 118.700 -0.125 0.000 2.577 364 N HA 0.424 5.159 4.740 -0.009 0.000 0.275 364 N C -0.996 174.391 175.510 -0.205 0.000 1.091 364 N CA -0.372 52.578 53.050 -0.166 0.000 0.843 364 N CB 2.148 40.543 38.487 -0.153 0.000 1.295 364 N HN 0.938 nan 8.380 nan 0.000 0.530 365 N N -0.406 118.137 118.700 -0.261 0.000 3.344 365 N HA 0.266 5.000 4.740 -0.009 0.000 0.296 365 N C -0.884 174.364 175.510 -0.436 0.000 1.571 365 N CA -0.546 52.323 53.050 -0.302 0.000 0.844 365 N CB 0.499 38.947 38.487 -0.066 0.000 1.718 365 N HN 0.096 nan 8.380 nan 0.000 0.589 366 Y N -0.715 119.569 120.300 -0.026 0.000 2.485 366 Y HA 0.351 4.909 4.550 0.012 0.000 0.260 366 Y C 0.248 176.148 175.900 0.000 0.000 1.173 366 Y CA -0.399 57.692 58.100 -0.016 0.000 1.252 366 Y CB 0.207 38.664 38.460 -0.005 0.000 1.123 366 Y HN 0.240 nan 8.280 nan 0.000 0.524 367 Q N 1.319 121.168 119.800 0.081 0.000 2.373 367 Q HA 0.337 4.672 4.340 -0.009 0.000 0.255 367 Q C -0.131 175.885 176.000 0.026 0.000 0.980 367 Q CA 0.006 55.841 55.803 0.053 0.000 0.882 367 Q CB 0.835 29.587 28.738 0.023 0.000 1.249 367 Q HN 0.084 nan 8.270 nan 0.000 0.438 368 R N 1.556 122.076 120.500 0.033 0.000 2.739 368 R HA 0.334 4.669 4.340 -0.009 0.000 0.271 368 R C -0.742 175.571 176.300 0.021 0.000 1.010 368 R CA -0.604 55.509 56.100 0.023 0.000 0.897 368 R CB 1.332 31.655 30.300 0.038 0.000 1.236 368 R HN 0.719 nan 8.270 nan 0.000 0.466 369 D N -0.089 120.319 120.400 0.013 0.000 3.632 369 D HA -0.159 4.475 4.640 -0.009 0.000 0.193 369 D C 0.198 176.510 176.300 0.021 0.000 1.293 369 D CA 1.962 55.972 54.000 0.016 0.000 1.100 369 D CB -1.152 39.661 40.800 0.021 0.000 0.619 369 D HN 0.917 nan 8.370 nan 0.000 0.733 370 G N -0.626 108.190 108.800 0.027 0.000 2.757 370 G HA2 0.371 4.325 3.960 -0.009 0.000 0.686 370 G HA3 0.371 4.325 3.960 -0.009 0.000 0.686 370 G C 0.180 175.102 174.900 0.036 0.000 1.452 370 G CA 0.464 45.585 45.100 0.034 0.000 0.922 370 G HN 1.552 nan 8.290 nan 0.000 0.588 371 A N 3.097 125.942 122.820 0.042 0.000 2.565 371 A HA 0.545 4.859 4.320 -0.009 0.000 0.237 371 A C 1.496 179.112 177.584 0.055 0.000 1.053 371 A CA 1.457 53.521 52.037 0.045 0.000 0.755 371 A CB -0.138 18.890 19.000 0.046 0.000 0.980 371 A HN 2.170 nan 8.150 nan 0.000 0.506 372 M N 1.697 121.333 119.600 0.060 0.000 2.632 372 M HA -0.104 4.371 4.480 -0.009 0.000 0.184 372 M C -2.078 174.283 176.300 0.101 0.000 0.976 372 M CA 0.516 55.870 55.300 0.090 0.000 0.612 372 M CB -1.990 30.673 32.600 0.106 0.000 1.181 372 M HN 0.619 nan 8.290 nan 0.000 0.840 373 P HA 0.077 nan 4.420 nan 0.000 0.228 373 P C 1.009 178.336 177.300 0.046 0.000 1.748 373 P CA -0.101 63.024 63.100 0.042 0.000 0.909 373 P CB -0.522 31.180 31.700 0.004 0.000 1.882 374 F N 1.794 121.733 119.950 -0.019 0.000 2.154 374 F HA -0.151 4.371 4.527 -0.010 0.000 0.301 374 F C 1.624 177.403 175.800 -0.036 0.000 1.087 374 F CA 1.383 59.368 58.000 -0.024 0.000 1.274 374 F CB 0.295 39.281 39.000 -0.022 0.000 1.009 374 F HN -0.091 nan 8.300 nan 0.000 0.485 375 K N 0.817 121.326 120.400 0.181 0.000 2.832 375 K HA 0.087 4.402 4.320 -0.009 0.000 0.211 375 K C -0.317 176.285 176.600 0.005 0.000 1.112 375 K CA -0.250 56.087 56.287 0.083 0.000 1.108 375 K CB 0.165 32.702 32.500 0.061 0.000 0.899 375 K HN 0.213 nan 8.250 nan 0.000 0.464 376 Q N 1.910 121.701 119.800 -0.015 0.000 2.320 376 Q HA -0.108 4.227 4.340 -0.009 0.000 0.311 376 Q C -0.574 175.396 176.000 -0.050 0.000 1.083 376 Q CA 0.906 56.689 55.803 -0.034 0.000 1.001 376 Q CB 0.368 29.079 28.738 -0.044 0.000 1.074 376 Q HN 0.151 nan 8.270 nan 0.000 0.379 377 Q N 2.298 122.063 119.800 -0.059 0.000 2.297 377 Q HA 0.088 4.422 4.340 -0.009 0.000 0.267 377 Q C 0.752 176.709 176.000 -0.072 0.000 1.006 377 Q CA 0.587 56.343 55.803 -0.079 0.000 0.896 377 Q CB 0.805 29.477 28.738 -0.110 0.000 1.186 377 Q HN 0.866 nan 8.270 nan 0.000 0.392 378 T N -2.206 112.303 114.554 -0.075 0.000 3.065 378 T HA 0.022 4.366 4.350 -0.009 0.000 0.252 378 T C 1.021 175.680 174.700 -0.068 0.000 1.099 378 T CA -0.242 61.819 62.100 -0.065 0.000 1.063 378 T CB 0.398 69.228 68.868 -0.063 0.000 0.948 378 T HN 0.370 nan 8.240 nan 0.000 0.506 379 S N 2.221 117.867 115.700 -0.089 0.000 2.552 379 S HA 0.115 4.580 4.470 -0.009 0.000 0.289 379 S C 1.650 176.209 174.600 -0.069 0.000 1.304 379 S CA 0.120 58.259 58.200 -0.101 0.000 1.063 379 S CB 0.427 63.543 63.200 -0.139 0.000 0.848 379 S HN 0.621 nan 8.310 nan 0.000 0.499 380 S N 3.666 119.328 115.700 -0.063 0.000 2.481 380 S HA -0.012 4.452 4.470 -0.009 0.000 0.231 380 S C 0.572 175.194 174.600 0.036 0.000 0.996 380 S CA 0.235 58.430 58.200 -0.008 0.000 0.942 380 S CB -0.379 62.818 63.200 -0.005 0.000 0.768 380 S HN 0.551 nan 8.310 nan 0.000 0.520 381 V N 4.731 124.621 119.914 -0.040 0.000 2.302 381 V HA 0.153 4.268 4.120 -0.009 0.000 0.244 381 V C 0.621 176.745 176.094 0.049 0.000 1.160 381 V CA -0.035 62.228 62.300 -0.061 0.000 1.127 381 V CB -0.937 30.772 31.823 -0.189 0.000 1.253 381 V HN 0.689 nan 8.190 nan 0.000 0.496 382 N N 3.129 121.938 118.700 0.182 0.000 2.273 382 N HA 0.116 4.851 4.740 -0.009 0.000 0.231 382 N C -0.458 175.277 175.510 0.375 0.000 1.134 382 N CA -0.448 52.782 53.050 0.299 0.000 0.856 382 N CB 0.084 38.688 38.487 0.195 0.000 1.068 382 N HN 0.646 nan 8.380 nan 0.000 0.510 383 Y N -2.759 117.632 120.300 0.153 0.000 2.524 383 Y HA 0.777 5.312 4.550 -0.025 0.000 0.347 383 Y C -0.803 174.779 175.900 -0.529 0.000 1.005 383 Y CA -1.257 56.753 58.100 -0.150 0.000 1.025 383 Y CB 1.539 39.967 38.460 -0.053 0.000 1.275 383 Y HN -0.144 nan 8.280 nan 0.000 0.460 384 E N 3.806 123.644 120.200 -0.603 0.000 2.292 384 E HA 0.426 4.771 4.350 -0.009 0.000 0.272 384 E C -2.681 173.807 176.600 -0.187 0.000 0.881 384 E CA -2.018 54.032 56.400 -0.583 0.000 0.754 384 E CB 2.246 31.378 29.700 -0.946 0.000 1.201 384 E HN 0.809 nan 8.360 nan 0.000 0.425 385 P HA 0.217 nan 4.420 nan 0.000 0.270 385 P C -0.897 176.409 177.300 0.010 0.000 1.223 385 P CA -0.131 62.932 63.100 -0.062 0.000 0.785 385 P CB 0.689 32.379 31.700 -0.017 0.000 0.923 386 N N -0.843 117.835 118.700 -0.037 0.000 2.902 386 N HA 0.331 5.065 4.740 -0.009 0.000 0.268 386 N C 0.466 175.944 175.510 -0.052 0.000 1.450 386 N CA -1.137 51.913 53.050 -0.001 0.000 0.819 386 N CB 1.002 39.346 38.487 -0.238 0.000 1.540 386 N HN 0.354 nan 8.380 nan 0.000 0.545 387 R N -1.466 118.910 120.500 -0.206 0.000 2.297 387 R HA 0.184 4.519 4.340 -0.009 0.000 0.197 387 R C -0.506 175.589 176.300 -0.342 0.000 0.943 387 R CA 0.231 56.128 56.100 -0.339 0.000 1.038 387 R CB -0.433 29.575 30.300 -0.488 0.000 0.957 387 R HN 0.508 nan 8.270 nan 0.000 0.484 388 Y N 1.404 121.700 120.300 -0.007 0.000 2.327 388 Y HA 0.192 4.738 4.550 -0.006 0.000 0.336 388 Y C 1.363 177.261 175.900 -0.004 0.000 1.035 388 Y CA -0.734 57.362 58.100 -0.007 0.000 1.165 388 Y CB 1.619 40.068 38.460 -0.018 0.000 1.181 388 Y HN -0.070 nan 8.280 nan 0.000 0.494 389 Q N 1.438 121.316 119.800 0.131 0.000 2.311 389 Q HA -0.126 4.209 4.340 -0.009 0.000 0.203 389 Q C 0.793 176.834 176.000 0.069 0.000 0.954 389 Q CA 1.207 57.054 55.803 0.074 0.000 0.885 389 Q CB 0.236 29.002 28.738 0.047 0.000 0.963 389 Q HN 0.898 nan 8.270 nan 0.000 0.471 390 D N -0.534 119.912 120.400 0.077 0.000 2.339 390 D HA -0.016 4.619 4.640 -0.009 0.000 0.217 390 D C 0.066 176.374 176.300 0.013 0.000 1.050 390 D CA 0.152 54.172 54.000 0.034 0.000 0.856 390 D CB 0.163 40.973 40.800 0.016 0.000 0.922 390 D HN -0.000 nan 8.370 nan 0.000 0.518 391 E N 1.310 121.538 120.200 0.046 0.000 2.312 391 E HA 0.338 4.682 4.350 -0.009 0.000 0.259 391 E C -2.289 174.333 176.600 0.036 0.000 1.122 391 E CA -2.232 54.178 56.400 0.017 0.000 0.922 391 E CB 0.065 29.808 29.700 0.071 0.000 1.109 391 E HN 0.045 nan 8.360 nan 0.000 0.442 392 P HA 0.016 nan 4.420 nan 0.000 0.264 392 P C -0.484 176.907 177.300 0.152 0.000 1.193 392 P CA 0.522 63.620 63.100 -0.003 0.000 0.763 392 P CB 0.432 32.031 31.700 -0.168 0.000 0.810 393 K N 2.365 122.819 120.400 0.091 0.000 2.328 393 K HA 0.250 4.564 4.320 -0.009 0.000 0.246 393 K C 0.186 176.828 176.600 0.070 0.000 0.955 393 K CA -0.890 55.452 56.287 0.091 0.000 0.817 393 K CB 1.679 34.217 32.500 0.062 0.000 1.208 393 K HN 0.519 nan 8.250 nan 0.000 0.432 394 Q N 0.095 119.936 119.800 0.068 0.000 2.395 394 Q HA 0.144 4.479 4.340 -0.009 0.000 0.271 394 Q C -0.841 175.201 176.000 0.069 0.000 1.026 394 Q CA 0.430 56.270 55.803 0.061 0.000 0.900 394 Q CB -0.050 28.720 28.738 0.052 0.000 1.266 394 Q HN 0.341 nan 8.270 nan 0.000 0.430 395 T N 4.155 118.770 114.554 0.101 0.000 3.053 395 T HA 0.219 4.563 4.350 -0.009 0.000 0.363 395 T C -2.115 172.687 174.700 0.170 0.000 1.239 395 T CA -1.390 60.805 62.100 0.158 0.000 1.071 395 T CB 1.213 70.238 68.868 0.261 0.000 1.089 395 T HN 0.501 nan 8.240 nan 0.000 0.527 396 P HA -0.220 nan 4.420 nan 0.000 0.217 396 P C 1.563 178.875 177.300 0.019 0.000 1.148 396 P CA 0.989 64.118 63.100 0.048 0.000 0.834 396 P CB 0.170 31.882 31.700 0.020 0.000 0.783 397 E N -1.547 118.641 120.200 -0.020 0.000 2.409 397 E HA -0.200 4.144 4.350 -0.009 0.000 0.198 397 E C 0.868 177.317 176.600 -0.251 0.000 1.024 397 E CA 0.916 57.223 56.400 -0.155 0.000 0.861 397 E CB -0.735 28.826 29.700 -0.232 0.000 0.788 397 E HN 0.354 nan 8.360 nan 0.000 0.521 398 Y N 1.476 121.765 120.300 -0.018 0.000 2.457 398 Y HA 0.132 4.675 4.550 -0.012 0.000 0.263 398 Y C 0.700 176.591 175.900 -0.015 0.000 1.164 398 Y CA 0.049 58.138 58.100 -0.017 0.000 1.274 398 Y CB 0.689 39.143 38.460 -0.009 0.000 1.097 398 Y HN -0.115 nan 8.280 nan 0.000 0.523 399 T N 1.882 116.492 114.554 0.093 0.000 2.934 399 T HA -0.017 4.328 4.350 -0.009 0.000 0.306 399 T C 0.007 174.726 174.700 0.031 0.000 1.042 399 T CA -0.174 61.959 62.100 0.055 0.000 1.145 399 T CB 0.299 69.183 68.868 0.027 0.000 0.982 399 T HN 0.155 nan 8.240 nan 0.000 0.544 400 E N 2.794 123.014 120.200 0.033 0.000 2.351 400 E HA 0.205 4.550 4.350 -0.009 0.000 0.266 400 E C 0.033 176.636 176.600 0.005 0.000 1.031 400 E CA -0.408 56.004 56.400 0.020 0.000 0.911 400 E CB 0.138 29.853 29.700 0.026 0.000 0.986 400 E HN 0.617 nan 8.360 nan 0.000 0.446 401 D N 1.113 121.510 120.400 -0.006 0.000 2.400 401 D HA 0.039 4.674 4.640 -0.009 0.000 0.238 401 D C -0.038 176.257 176.300 -0.009 0.000 1.157 401 D CA -0.593 53.400 54.000 -0.012 0.000 0.889 401 D CB 0.250 41.038 40.800 -0.019 0.000 1.199 401 D HN 0.377 nan 8.370 nan 0.000 0.436 402 T N -0.566 113.980 114.554 -0.012 0.000 2.937 402 T HA 0.117 4.461 4.350 -0.009 0.000 0.316 402 T C 0.017 174.707 174.700 -0.018 0.000 1.079 402 T CA -0.543 61.548 62.100 -0.015 0.000 1.131 402 T CB 0.600 69.458 68.868 -0.017 0.000 1.000 402 T HN 0.367 nan 8.240 nan 0.000 0.549 403 Q N 1.388 121.174 119.800 -0.024 0.000 2.416 403 Q HA 0.553 4.888 4.340 -0.009 0.000 0.279 403 Q C -2.443 173.522 176.000 -0.059 0.000 1.101 403 Q CA -1.941 53.844 55.803 -0.029 0.000 0.830 403 Q CB 1.516 30.244 28.738 -0.018 0.000 1.402 403 Q HN 0.642 nan 8.270 nan 0.000 0.445 404 P HA 0.389 nan 4.420 nan 0.000 0.277 404 P C -0.792 176.298 177.300 -0.350 0.000 1.240 404 P CA -0.349 62.616 63.100 -0.224 0.000 0.798 404 P CB 0.646 32.188 31.700 -0.262 0.000 0.979 405 L N 2.423 123.416 121.223 -0.383 0.000 2.346 405 L HA 0.343 4.678 4.340 -0.009 0.000 0.276 405 L C 0.718 177.350 176.870 -0.397 0.000 1.006 405 L CA -0.650 54.003 54.840 -0.311 0.000 0.817 405 L CB 1.637 43.624 42.059 -0.120 0.000 1.272 405 L HN 0.532 nan 8.230 nan 0.000 0.421 406 H N 0.187 119.277 119.070 0.034 0.000 2.662 406 H HA 0.336 4.888 4.556 -0.008 0.000 0.268 406 H C -0.903 174.441 175.328 0.027 0.000 1.152 406 H CA -0.184 55.882 56.048 0.031 0.000 1.072 406 H CB 1.048 30.831 29.762 0.034 0.000 1.660 406 H HN 0.469 nan 8.280 nan 0.000 0.584 407 D N 0.828 121.287 120.400 0.099 0.000 2.645 407 D HA 0.050 4.685 4.640 -0.009 0.000 0.228 407 D C 0.218 176.547 176.300 0.049 0.000 1.148 407 D CA -0.372 53.672 54.000 0.074 0.000 0.860 407 D CB 2.283 43.127 40.800 0.074 0.000 1.548 407 D HN 0.115 nan 8.370 nan 0.000 0.460 408 D N 0.852 121.274 120.400 0.037 0.000 2.349 408 D HA 0.084 4.719 4.640 -0.009 0.000 0.214 408 D C 0.887 177.194 176.300 0.012 0.000 1.063 408 D CA 0.147 54.161 54.000 0.023 0.000 0.847 408 D CB 0.108 40.917 40.800 0.016 0.000 0.933 408 D HN 0.487 nan 8.370 nan 0.000 0.513 409 I N -1.775 118.804 120.570 0.015 0.000 2.828 409 I HA 0.666 4.831 4.170 -0.009 0.000 0.302 409 I C -1.209 174.929 176.117 0.035 0.000 1.101 409 I CA -1.497 59.791 61.300 -0.020 0.000 1.031 409 I CB 2.150 40.126 38.000 -0.041 0.000 1.231 409 I HN -0.183 nan 8.210 nan 0.000 0.427 410 H N 1.984 121.058 119.070 0.007 0.000 2.569 410 H HA 0.993 5.544 4.556 -0.008 0.000 0.357 410 H C -0.308 175.022 175.328 0.005 0.000 1.153 410 H CA -0.371 55.680 56.048 0.005 0.000 1.193 410 H CB 1.905 31.668 29.762 0.001 0.000 1.602 410 H HN 1.150 nan 8.280 nan 0.000 0.523 411 G N 1.225 110.129 108.800 0.174 0.000 2.323 411 G HA2 0.175 4.130 3.960 -0.009 0.000 0.291 411 G HA3 0.175 4.130 3.960 -0.009 0.000 0.291 411 G C -1.406 173.539 174.900 0.075 0.000 1.278 411 G CA -1.386 43.778 45.100 0.107 0.000 0.860 411 G HN 0.655 nan 8.290 nan 0.000 0.504 412 R N 0.346 120.877 120.500 0.051 0.000 2.308 412 R HA 0.433 4.768 4.340 -0.009 0.000 0.325 412 R C -0.802 175.518 176.300 0.033 0.000 1.161 412 R CA 0.009 56.133 56.100 0.040 0.000 1.022 412 R CB -0.088 30.233 30.300 0.034 0.000 1.091 412 R HN 0.280 nan 8.270 nan 0.000 0.497 413 L N 2.204 123.448 121.223 0.036 0.000 2.471 413 L HA 0.286 4.620 4.340 -0.009 0.000 0.263 413 L C 0.077 176.966 176.870 0.031 0.000 0.985 413 L CA -0.492 54.367 54.840 0.032 0.000 0.868 413 L CB 1.889 43.969 42.059 0.034 0.000 1.203 413 L HN 0.487 nan 8.230 nan 0.000 0.429 414 E N 3.890 124.107 120.200 0.029 0.000 2.384 414 E HA 0.173 4.518 4.350 -0.009 0.000 0.266 414 E C 0.123 176.740 176.600 0.027 0.000 1.012 414 E CA -0.531 55.886 56.400 0.028 0.000 0.901 414 E CB 1.006 30.722 29.700 0.026 0.000 0.967 414 E HN 0.553 nan 8.360 nan 0.000 0.435 415 I N 1.386 121.973 120.570 0.028 0.000 2.948 415 I HA -0.069 4.096 4.170 -0.009 0.000 0.290 415 I C 0.937 177.070 176.117 0.025 0.000 1.226 415 I CA -0.203 61.113 61.300 0.027 0.000 1.413 415 I CB 0.655 38.671 38.000 0.027 0.000 1.352 415 I HN 0.592 nan 8.210 nan 0.000 0.597 416 E N 4.117 124.331 120.200 0.023 0.000 2.033 416 E HA -0.100 4.244 4.350 -0.009 0.000 0.189 416 E C 0.262 176.880 176.600 0.029 0.000 0.979 416 E CA 1.271 57.685 56.400 0.023 0.000 0.802 416 E CB -0.026 29.685 29.700 0.018 0.000 0.763 416 E HN 0.718 nan 8.360 nan 0.000 0.449 417 K N 1.842 122.261 120.400 0.031 0.000 2.244 417 K HA 0.230 4.545 4.320 -0.009 0.000 0.263 417 K C 0.782 177.416 176.600 0.056 0.000 1.103 417 K CA -0.036 56.278 56.287 0.046 0.000 0.966 417 K CB 0.892 33.422 32.500 0.050 0.000 1.429 417 K HN -0.113 nan 8.250 nan 0.000 0.434 418 T N -1.118 113.460 114.554 0.041 0.000 2.851 418 T HA -0.160 4.184 4.350 -0.009 0.000 0.262 418 T C 0.984 175.692 174.700 0.012 0.000 1.043 418 T CA 0.373 62.485 62.100 0.019 0.000 1.140 418 T CB -0.435 68.427 68.868 -0.010 0.000 0.872 418 T HN 0.727 nan 8.240 nan 0.000 0.446 419 N N 2.187 120.906 118.700 0.031 0.000 2.669 419 N HA -0.176 4.559 4.740 -0.009 0.000 0.266 419 N C 0.081 175.559 175.510 -0.054 0.000 1.024 419 N CA 0.495 53.573 53.050 0.048 0.000 0.766 419 N CB -1.756 36.804 38.487 0.123 0.000 0.898 419 N HN 0.434 nan 8.380 nan 0.000 0.548 420 N N -0.267 118.289 118.700 -0.240 0.000 2.381 420 N HA -0.056 4.679 4.740 -0.009 0.000 0.182 420 N C 0.813 175.930 175.510 -0.654 0.000 1.025 420 N CA 1.297 53.999 53.050 -0.580 0.000 0.888 420 N CB -0.118 37.747 38.487 -1.037 0.000 0.965 420 N HN 0.546 nan 8.380 nan 0.000 0.438 421 F N -1.713 118.269 119.950 0.054 0.000 2.778 421 F HA 0.383 4.904 4.527 -0.009 0.000 0.314 421 F C 2.197 178.043 175.800 0.077 0.000 1.073 421 F CA -0.239 57.793 58.000 0.054 0.000 1.218 421 F CB -0.545 38.482 39.000 0.045 0.000 1.037 421 F HN -0.112 nan 8.300 nan 0.000 0.594 422 G N -0.107 108.830 108.800 0.228 0.000 2.414 422 G HA2 -0.233 3.721 3.960 -0.009 0.000 0.215 422 G HA3 -0.233 3.721 3.960 -0.009 0.000 0.215 422 G C 1.507 176.515 174.900 0.181 0.000 1.188 422 G CA 0.819 46.036 45.100 0.194 0.000 0.783 422 G HN 0.351 nan 8.290 nan 0.000 0.537 423 Q N 0.018 119.907 119.800 0.149 0.000 2.123 423 Q HA 0.070 4.404 4.340 -0.009 0.000 0.199 423 Q C 2.830 178.952 176.000 0.204 0.000 0.966 423 Q CA 1.229 57.125 55.803 0.156 0.000 0.845 423 Q CB -0.280 28.456 28.738 -0.003 0.000 0.907 423 Q HN 0.388 nan 8.270 nan 0.000 0.439 424 A N 0.623 123.548 122.820 0.174 0.000 1.892 424 A HA -0.206 4.109 4.320 -0.009 0.000 0.218 424 A C 2.226 179.951 177.584 0.235 0.000 1.188 424 A CA 1.910 54.073 52.037 0.210 0.000 0.631 424 A CB -1.521 17.602 19.000 0.204 0.000 0.822 424 A HN 0.608 nan 8.150 nan 0.000 0.447 425 G N -0.593 108.338 108.800 0.219 0.000 2.459 425 G HA2 -0.245 3.709 3.960 -0.009 0.000 0.217 425 G HA3 -0.245 3.709 3.960 -0.009 0.000 0.217 425 G C 1.405 176.423 174.900 0.198 0.000 1.183 425 G CA 1.055 46.276 45.100 0.202 0.000 0.776 425 G HN 0.674 nan 8.290 nan 0.000 0.552 426 E N -0.074 120.228 120.200 0.171 0.000 2.070 426 E HA -0.129 4.215 4.350 -0.009 0.000 0.197 426 E C 2.728 179.360 176.600 0.054 0.000 1.004 426 E CA 1.162 57.625 56.400 0.105 0.000 0.805 426 E CB -0.243 29.548 29.700 0.151 0.000 0.744 426 E HN 0.292 nan 8.360 nan 0.000 0.451 427 V N 0.802 120.814 119.914 0.163 0.000 2.287 427 V HA -0.306 3.809 4.120 -0.009 0.000 0.248 427 V C 2.064 178.185 176.094 0.045 0.000 1.053 427 V CA 2.122 64.485 62.300 0.106 0.000 1.027 427 V CB -0.634 31.265 31.823 0.127 0.000 0.646 427 V HN 0.334 nan 8.190 nan 0.000 0.447 428 Y N 1.180 121.485 120.300 0.009 0.000 2.097 428 Y HA -0.285 4.259 4.550 -0.009 0.000 0.282 428 Y C 2.745 178.630 175.900 -0.025 0.000 1.152 428 Y CA 1.999 60.098 58.100 -0.001 0.000 1.136 428 Y CB -0.134 38.347 38.460 0.037 0.000 0.975 428 Y HN 0.079 nan 8.280 nan 0.000 0.498 429 R N -0.209 120.276 120.500 -0.026 0.000 2.189 429 R HA -0.068 4.266 4.340 -0.009 0.000 0.218 429 R C 2.146 178.344 176.300 -0.170 0.000 1.074 429 R CA 1.022 57.051 56.100 -0.118 0.000 0.991 429 R CB -0.170 30.133 30.300 0.005 0.000 0.883 429 R HN 0.329 nan 8.270 nan 0.000 0.457 430 R N -0.138 120.261 120.500 -0.169 0.000 2.280 430 R HA 0.065 4.400 4.340 -0.009 0.000 0.207 430 R C 0.451 176.648 176.300 -0.172 0.000 1.043 430 R CA 0.455 56.443 56.100 -0.188 0.000 1.006 430 R CB 0.068 30.220 30.300 -0.247 0.000 0.885 430 R HN 0.113 nan 8.270 nan 0.000 0.467 431 M N 0.654 120.127 119.600 -0.212 0.000 2.242 431 M HA 0.055 4.530 4.480 -0.009 0.000 0.344 431 M C 0.788 176.977 176.300 -0.185 0.000 1.140 431 M CA -0.115 55.067 55.300 -0.197 0.000 1.160 431 M CB 1.265 33.712 32.600 -0.255 0.000 1.491 431 M HN 0.068 nan 8.290 nan 0.000 0.459 432 T N -1.943 112.535 114.554 -0.127 0.000 2.748 432 T HA 0.066 4.411 4.350 -0.009 0.000 0.304 432 T C 0.888 175.520 174.700 -0.114 0.000 1.041 432 T CA -0.462 61.576 62.100 -0.103 0.000 1.033 432 T CB 0.833 69.660 68.868 -0.067 0.000 0.995 432 T HN 0.820 nan 8.240 nan 0.000 0.536 433 E N 0.386 120.535 120.200 -0.086 0.000 2.085 433 E HA -0.196 4.149 4.350 -0.009 0.000 0.194 433 E C 1.921 178.492 176.600 -0.047 0.000 0.994 433 E CA 1.584 57.941 56.400 -0.070 0.000 0.801 433 E CB -0.095 29.578 29.700 -0.045 0.000 0.743 433 E HN 0.837 nan 8.360 nan 0.000 0.453 434 E N 0.718 120.897 120.200 -0.035 0.000 2.058 434 E HA -0.220 4.124 4.350 -0.009 0.000 0.194 434 E C 1.960 178.552 176.600 -0.013 0.000 0.997 434 E CA 1.615 58.005 56.400 -0.017 0.000 0.801 434 E CB -0.144 29.549 29.700 -0.011 0.000 0.746 434 E HN 0.347 nan 8.360 nan 0.000 0.450 435 E N 0.739 120.921 120.200 -0.030 0.000 2.077 435 E HA -0.223 4.121 4.350 -0.009 0.000 0.193 435 E C 2.228 178.817 176.600 -0.019 0.000 0.989 435 E CA 1.158 57.544 56.400 -0.023 0.000 0.800 435 E CB -0.122 29.551 29.700 -0.046 0.000 0.746 435 E HN 0.336 nan 8.360 nan 0.000 0.452 436 Q N -0.233 119.524 119.800 -0.072 0.000 2.170 436 Q HA -0.160 4.174 4.340 -0.009 0.000 0.203 436 Q C 2.070 178.104 176.000 0.057 0.000 0.976 436 Q CA 1.087 56.864 55.803 -0.042 0.000 0.858 436 Q CB -0.071 28.554 28.738 -0.188 0.000 0.907 436 Q HN 0.199 nan 8.270 nan 0.000 0.433 437 M N 0.305 119.920 119.600 0.024 0.000 2.236 437 M HA 0.031 4.506 4.480 -0.009 0.000 0.266 437 M C 1.928 178.252 176.300 0.040 0.000 1.070 437 M CA 1.394 56.714 55.300 0.032 0.000 1.137 437 M CB -0.415 32.195 32.600 0.018 0.000 1.378 437 M HN 0.122 nan 8.290 nan 0.000 0.426 438 A N 0.077 122.923 122.820 0.042 0.000 1.908 438 A HA -0.159 4.156 4.320 -0.009 0.000 0.218 438 A C 2.153 179.788 177.584 0.086 0.000 1.181 438 A CA 1.918 53.992 52.037 0.061 0.000 0.627 438 A CB -1.263 17.773 19.000 0.060 0.000 0.818 438 A HN 0.571 nan 8.150 nan 0.000 0.445 439 L N -0.851 120.428 121.223 0.093 0.000 2.046 439 L HA -0.128 4.207 4.340 -0.009 0.000 0.208 439 L C 2.254 179.152 176.870 0.047 0.000 1.077 439 L CA 2.109 57.019 54.840 0.116 0.000 0.747 439 L CB -0.527 41.615 42.059 0.140 0.000 0.896 439 L HN 0.351 nan 8.230 nan 0.000 0.432 440 L N 0.013 121.251 121.223 0.026 0.000 2.017 440 L HA -0.207 4.127 4.340 -0.009 0.000 0.208 440 L C 2.267 179.119 176.870 -0.030 0.000 1.073 440 L CA 1.880 56.700 54.840 -0.034 0.000 0.745 440 L CB -1.090 40.965 42.059 -0.007 0.000 0.894 440 L HN 0.417 nan 8.230 nan 0.000 0.432 441 N N -0.186 118.522 118.700 0.012 0.000 2.166 441 N HA -0.167 4.568 4.740 -0.009 0.000 0.186 441 N C 1.387 176.923 175.510 0.043 0.000 1.019 441 N CA 1.406 54.468 53.050 0.021 0.000 0.856 441 N CB -0.287 38.219 38.487 0.033 0.000 0.993 441 N HN 0.499 nan 8.380 nan 0.000 0.426 442 N N 1.511 120.266 118.700 0.091 0.000 2.171 442 N HA -0.029 4.706 4.740 -0.009 0.000 0.184 442 N C 2.059 177.621 175.510 0.085 0.000 1.021 442 N CA 0.468 53.630 53.050 0.185 0.000 0.854 442 N CB -0.510 38.184 38.487 0.346 0.000 0.994 442 N HN 0.231 nan 8.380 nan 0.000 0.426 443 L N 0.583 121.752 121.223 -0.091 0.000 2.012 443 L HA -0.141 4.194 4.340 -0.009 0.000 0.210 443 L C 2.281 178.997 176.870 -0.256 0.000 1.073 443 L CA 0.881 55.516 54.840 -0.341 0.000 0.748 443 L CB -0.476 41.334 42.059 -0.416 0.000 0.891 443 L HN -0.030 nan 8.230 nan 0.000 0.431 444 V N 0.155 119.972 119.914 -0.161 0.000 2.237 444 V HA -0.343 3.771 4.120 -0.009 0.000 0.245 444 V C 2.349 178.393 176.094 -0.083 0.000 1.046 444 V CA 2.236 64.458 62.300 -0.130 0.000 1.007 444 V CB -0.825 30.947 31.823 -0.086 0.000 0.638 444 V HN 0.609 nan 8.190 nan 0.000 0.445 445 N N -0.095 118.593 118.700 -0.020 0.000 2.132 445 N HA -0.280 4.455 4.740 -0.009 0.000 0.191 445 N C 1.577 177.120 175.510 0.056 0.000 1.015 445 N CA 2.303 55.371 53.050 0.030 0.000 0.864 445 N CB -0.093 38.441 38.487 0.079 0.000 1.006 445 N HN 0.602 nan 8.380 nan 0.000 0.430 446 D N -0.255 120.184 120.400 0.065 0.000 2.162 446 D HA 0.073 4.708 4.640 -0.009 0.000 0.205 446 D C 2.099 178.384 176.300 -0.025 0.000 0.964 446 D CA 0.450 54.549 54.000 0.165 0.000 0.847 446 D CB 0.152 41.169 40.800 0.362 0.000 0.988 446 D HN 0.216 nan 8.370 nan 0.000 0.480 447 L N 0.225 121.296 121.223 -0.254 0.000 2.291 447 L HA -0.032 4.303 4.340 -0.009 0.000 0.214 447 L C 2.157 178.897 176.870 -0.216 0.000 1.120 447 L CA 0.626 55.217 54.840 -0.415 0.000 0.799 447 L CB -0.207 41.526 42.059 -0.544 0.000 0.925 447 L HN 0.038 nan 8.230 nan 0.000 0.446 448 Q N -0.282 119.443 119.800 -0.126 0.000 2.364 448 Q HA -0.214 4.121 4.340 -0.009 0.000 0.209 448 Q C 1.816 177.788 176.000 -0.047 0.000 0.977 448 Q CA 1.096 56.855 55.803 -0.074 0.000 0.885 448 Q CB 0.066 28.778 28.738 -0.043 0.000 0.941 448 Q HN 0.577 nan 8.270 nan 0.000 0.464 449 Q N -0.666 119.114 119.800 -0.032 0.000 2.392 449 Q HA 0.085 4.419 4.340 -0.009 0.000 0.203 449 Q C -0.228 175.766 176.000 -0.010 0.000 0.917 449 Q CA -0.181 55.621 55.803 -0.001 0.000 0.939 449 Q CB 0.911 29.675 28.738 0.044 0.000 1.063 449 Q HN 0.088 nan 8.270 nan 0.000 0.516 450 V N 1.409 121.295 119.914 -0.046 0.000 2.614 450 V HA 0.056 4.171 4.120 -0.009 0.000 0.291 450 V C 0.950 177.040 176.094 -0.005 0.000 1.049 450 V CA 0.426 62.714 62.300 -0.020 0.000 1.038 450 V CB 1.218 32.993 31.823 -0.080 0.000 0.980 450 V HN 0.268 nan 8.190 nan 0.000 0.481 451 R N 1.369 121.900 120.500 0.050 0.000 2.508 451 R HA 0.256 4.590 4.340 -0.009 0.000 0.300 451 R C -0.569 175.636 176.300 -0.158 0.000 0.970 451 R CA -0.168 55.910 56.100 -0.037 0.000 1.102 451 R CB 0.330 30.602 30.300 -0.046 0.000 1.246 451 R HN 0.758 nan 8.270 nan 0.000 0.539 452 H N 0.144 119.198 119.070 -0.026 0.000 2.646 452 H HA 0.128 4.679 4.556 -0.009 0.000 0.328 452 H C 0.394 175.699 175.328 -0.037 0.000 0.998 452 H CA -0.475 55.561 56.048 -0.021 0.000 1.225 452 H CB 1.779 31.537 29.762 -0.007 0.000 1.457 452 H HN -0.001 nan 8.280 nan 0.000 0.505 453 E N 3.219 123.434 120.200 0.025 0.000 2.058 453 E HA -0.317 4.028 4.350 -0.009 0.000 0.194 453 E C 1.782 178.369 176.600 -0.021 0.000 0.997 453 E CA 1.041 57.434 56.400 -0.012 0.000 0.801 453 E CB 0.168 29.855 29.700 -0.021 0.000 0.746 453 E HN 0.657 nan 8.360 nan 0.000 0.450 454 N N -0.446 118.254 118.700 0.002 0.000 2.137 454 N HA -0.156 4.579 4.740 -0.009 0.000 0.190 454 N C 1.636 177.119 175.510 -0.044 0.000 1.017 454 N CA 1.874 54.901 53.050 -0.038 0.000 0.859 454 N CB -0.058 38.422 38.487 -0.011 0.000 1.002 454 N HN 0.148 nan 8.380 nan 0.000 0.428 455 T N 0.775 115.333 114.554 0.006 0.000 2.708 455 T HA -0.077 4.268 4.350 -0.009 0.000 0.266 455 T C 2.108 176.788 174.700 -0.033 0.000 1.037 455 T CA 1.231 63.340 62.100 0.016 0.000 1.146 455 T CB -0.309 68.598 68.868 0.064 0.000 0.865 455 T HN 0.042 nan 8.240 nan 0.000 0.435 456 V N 1.976 121.845 119.914 -0.074 0.000 2.255 456 V HA -0.157 3.958 4.120 -0.009 0.000 0.247 456 V C 2.468 178.486 176.094 -0.127 0.000 1.051 456 V CA 1.478 63.694 62.300 -0.141 0.000 1.018 456 V CB -0.857 30.885 31.823 -0.135 0.000 0.641 456 V HN 0.421 nan 8.190 nan 0.000 0.445 457 L N -0.650 120.495 121.223 -0.131 0.000 2.021 457 L HA -0.254 4.081 4.340 -0.009 0.000 0.215 457 L C 2.455 179.218 176.870 -0.177 0.000 1.074 457 L CA 2.118 56.845 54.840 -0.188 0.000 0.760 457 L CB -0.348 41.536 42.059 -0.292 0.000 0.889 457 L HN 0.340 nan 8.230 nan 0.000 0.433 458 L N -0.693 120.446 121.223 -0.140 0.000 2.083 458 L HA -0.207 4.128 4.340 -0.009 0.000 0.209 458 L C 2.732 179.584 176.870 -0.031 0.000 1.083 458 L CA 1.308 56.093 54.840 -0.091 0.000 0.752 458 L CB -0.412 41.618 42.059 -0.047 0.000 0.899 458 L HN 0.362 nan 8.230 nan 0.000 0.433 459 A N 0.332 123.146 122.820 -0.010 0.000 1.877 459 A HA -0.226 4.089 4.320 -0.009 0.000 0.216 459 A C 2.061 179.715 177.584 0.116 0.000 1.186 459 A CA 1.710 53.775 52.037 0.046 0.000 0.620 459 A CB -0.674 18.269 19.000 -0.096 0.000 0.822 459 A HN 0.426 nan 8.150 nan 0.000 0.443 460 I N -0.571 120.036 120.570 0.062 0.000 2.226 460 I HA -0.322 3.843 4.170 -0.009 0.000 0.245 460 I C 2.526 178.707 176.117 0.107 0.000 1.100 460 I CA 1.097 62.463 61.300 0.111 0.000 1.374 460 I CB -0.557 37.447 38.000 0.007 0.000 1.057 460 I HN 0.379 nan 8.210 nan 0.000 0.413 461 C N 0.828 120.123 119.300 -0.007 0.000 2.413 461 C HA -0.148 4.306 4.460 -0.009 0.000 0.276 461 C C 2.684 177.635 174.990 -0.066 0.000 1.236 461 C CA 0.932 59.920 59.018 -0.050 0.000 1.735 461 C CB -1.432 26.226 27.740 -0.137 0.000 2.031 461 C HN 0.552 nan 8.230 nan 0.000 0.474 462 N N 0.769 119.425 118.700 -0.074 0.000 2.069 462 N HA -0.102 4.633 4.740 -0.009 0.000 0.191 462 N C 1.444 176.912 175.510 -0.069 0.000 1.031 462 N CA 1.525 54.523 53.050 -0.087 0.000 0.852 462 N CB -0.752 37.748 38.487 0.022 0.000 1.018 462 N HN 0.530 nan 8.380 nan 0.000 0.423 463 F N -0.157 119.857 119.950 0.106 0.000 2.171 463 F HA -0.194 4.327 4.527 -0.009 0.000 0.300 463 F C 2.351 178.144 175.800 -0.012 0.000 1.090 463 F CA 0.865 58.898 58.000 0.056 0.000 1.293 463 F CB -0.504 38.503 39.000 0.012 0.000 1.013 463 F HN 0.067 nan 8.300 nan 0.000 0.486 464 Y N 1.266 121.600 120.300 0.056 0.000 2.128 464 Y HA -0.262 4.283 4.550 -0.009 0.000 0.284 464 Y C 2.502 178.360 175.900 -0.069 0.000 1.154 464 Y CA 1.623 59.708 58.100 -0.025 0.000 1.149 464 Y CB -0.358 38.075 38.460 -0.045 0.000 0.976 464 Y HN -0.133 nan 8.280 nan 0.000 0.505 465 R N -0.209 120.285 120.500 -0.010 0.000 2.159 465 R HA -0.183 4.152 4.340 -0.009 0.000 0.237 465 R C 2.389 178.654 176.300 -0.058 0.000 1.131 465 R CA 1.010 57.008 56.100 -0.170 0.000 0.982 465 R CB -0.493 29.381 30.300 -0.711 0.000 0.868 465 R HN 0.465 nan 8.270 nan 0.000 0.453 466 A N 0.598 123.440 122.820 0.038 0.000 1.855 466 A HA -0.087 4.228 4.320 -0.009 0.000 0.213 466 A C 0.422 178.026 177.584 0.034 0.000 1.195 466 A CA 1.080 53.201 52.037 0.141 0.000 0.610 466 A CB 0.170 19.310 19.000 0.233 0.000 0.837 466 A HN 0.287 nan 8.150 nan 0.000 0.444 467 D N -3.457 116.894 120.400 -0.082 0.000 2.890 467 D HA 0.588 5.223 4.640 -0.009 0.000 0.233 467 D C 0.462 176.548 176.300 -0.357 0.000 1.306 467 D CA 0.223 54.122 54.000 -0.169 0.000 0.929 467 D CB 1.528 42.231 40.800 -0.162 0.000 1.512 467 D HN 0.126 nan 8.370 nan 0.000 0.568 468 A N 2.523 125.048 122.820 -0.491 0.000 1.902 468 A HA -0.131 4.183 4.320 -0.009 0.000 0.217 468 A C 2.106 179.442 177.584 -0.412 0.000 1.181 468 A CA 2.077 53.579 52.037 -0.891 0.000 0.623 468 A CB -0.713 17.870 19.000 -0.696 0.000 0.818 468 A HN 0.631 nan 8.150 nan 0.000 0.443 469 S N -0.396 115.184 115.700 -0.199 0.000 2.387 469 S HA -0.115 4.350 4.470 -0.009 0.000 0.226 469 S C 1.886 176.431 174.600 -0.092 0.000 1.026 469 S CA 1.293 59.450 58.200 -0.073 0.000 0.972 469 S CB -0.618 62.586 63.200 0.006 0.000 0.814 469 S HN 0.494 nan 8.310 nan 0.000 0.477 470 L N 2.790 123.868 121.223 -0.242 0.000 2.017 470 L HA 0.160 4.495 4.340 -0.009 0.000 0.208 470 L C 2.466 179.238 176.870 -0.163 0.000 1.073 470 L CA 2.174 56.805 54.840 -0.348 0.000 0.745 470 L CB -1.436 40.116 42.059 -0.844 0.000 0.894 470 L HN 0.376 nan 8.230 nan 0.000 0.432 471 G N -1.253 107.502 108.800 -0.075 0.000 2.422 471 G HA2 -0.255 3.700 3.960 -0.009 0.000 0.218 471 G HA3 -0.255 3.700 3.960 -0.009 0.000 0.218 471 G C 1.437 176.437 174.900 0.167 0.000 1.146 471 G CA 0.851 46.036 45.100 0.142 0.000 0.769 471 G HN 0.556 nan 8.290 nan 0.000 0.547 472 E N 0.326 120.620 120.200 0.155 0.000 2.051 472 E HA -0.090 4.255 4.350 -0.009 0.000 0.192 472 E C 2.551 179.175 176.600 0.040 0.000 0.991 472 E CA 1.032 57.502 56.400 0.117 0.000 0.799 472 E CB -0.063 29.703 29.700 0.109 0.000 0.748 472 E HN 0.367 nan 8.360 nan 0.000 0.449 473 K N 0.605 121.009 120.400 0.008 0.000 2.026 473 K HA -0.124 4.191 4.320 -0.009 0.000 0.208 473 K C 2.192 178.773 176.600 -0.033 0.000 1.048 473 K CA 0.972 57.252 56.287 -0.012 0.000 0.929 473 K CB -0.139 32.352 32.500 -0.015 0.000 0.713 473 K HN 0.073 nan 8.250 nan 0.000 0.439 474 L N 0.573 121.763 121.223 -0.055 0.000 2.046 474 L HA -0.230 4.105 4.340 -0.009 0.000 0.208 474 L C 2.680 179.518 176.870 -0.052 0.000 1.077 474 L CA 1.170 55.962 54.840 -0.081 0.000 0.747 474 L CB -0.511 41.482 42.059 -0.110 0.000 0.896 474 L HN 0.251 nan 8.230 nan 0.000 0.432 475 S N -0.435 115.254 115.700 -0.018 0.000 2.370 475 S HA -0.228 4.236 4.470 -0.009 0.000 0.226 475 S C 1.873 176.463 174.600 -0.017 0.000 1.033 475 S CA 1.569 59.761 58.200 -0.013 0.000 1.011 475 S CB -0.123 63.083 63.200 0.010 0.000 0.852 475 S HN 0.414 nan 8.310 nan 0.000 0.457 476 E N 0.554 120.748 120.200 -0.010 0.000 2.047 476 E HA -0.055 4.290 4.350 -0.009 0.000 0.191 476 E C 2.377 178.965 176.600 -0.020 0.000 0.987 476 E CA 1.027 57.421 56.400 -0.010 0.000 0.799 476 E CB -0.351 29.347 29.700 -0.003 0.000 0.752 476 E HN 0.641 nan 8.360 nan 0.000 0.449 477 A N 0.735 123.537 122.820 -0.029 0.000 2.121 477 A HA -0.112 4.203 4.320 -0.009 0.000 0.218 477 A C 1.898 179.455 177.584 -0.045 0.000 1.154 477 A CA 0.832 52.847 52.037 -0.036 0.000 0.679 477 A CB -0.067 18.906 19.000 -0.044 0.000 0.795 477 A HN 0.095 nan 8.150 nan 0.000 0.458 478 L N -0.595 120.597 121.223 -0.050 0.000 2.477 478 L HA 0.171 4.505 4.340 -0.009 0.000 0.220 478 L C -0.387 176.453 176.870 -0.050 0.000 1.106 478 L CA 0.422 55.225 54.840 -0.062 0.000 0.851 478 L CB -0.903 41.105 42.059 -0.086 0.000 0.994 478 L HN 0.304 nan 8.230 nan 0.000 0.462 479 N N -0.589 118.090 118.700 -0.036 0.000 2.406 479 N HA 0.347 5.082 4.740 -0.009 0.000 0.251 479 N C -0.816 174.679 175.510 -0.024 0.000 1.069 479 N CA 0.000 53.034 53.050 -0.028 0.000 0.947 479 N CB 1.439 39.915 38.487 -0.019 0.000 1.111 479 N HN -0.242 nan 8.380 nan 0.000 0.497 480 V N 2.208 122.107 119.914 -0.025 0.000 2.482 480 V HA 0.207 4.322 4.120 -0.009 0.000 0.295 480 V C -0.760 175.333 176.094 -0.002 0.000 1.026 480 V CA -1.084 61.206 62.300 -0.017 0.000 0.856 480 V CB 1.550 33.349 31.823 -0.039 0.000 1.001 480 V HN 0.689 nan 8.190 nan 0.000 0.424 481 D N 5.140 125.552 120.400 0.020 0.000 2.317 481 D HA 0.162 4.796 4.640 -0.009 0.000 0.252 481 D C 0.883 177.228 176.300 0.076 0.000 1.174 481 D CA -0.367 53.650 54.000 0.028 0.000 0.866 481 D CB 1.683 42.494 40.800 0.018 0.000 1.127 481 D HN 0.597 nan 8.370 nan 0.000 0.467 482 I N -1.472 119.118 120.570 0.034 0.000 3.860 482 I HA 0.082 4.247 4.170 -0.009 0.000 0.319 482 I C 1.838 177.976 176.117 0.035 0.000 1.279 482 I CA -0.602 60.730 61.300 0.054 0.000 1.220 482 I CB -0.012 37.922 38.000 -0.109 0.000 1.027 482 I HN 0.078 nan 8.210 nan 0.000 0.428 483 K N 2.026 122.415 120.400 -0.018 0.000 2.044 483 K HA -0.109 4.206 4.320 -0.009 0.000 0.210 483 K C -0.222 176.329 176.600 -0.081 0.000 1.049 483 K CA 2.172 58.425 56.287 -0.058 0.000 0.927 483 K CB -1.224 31.249 32.500 -0.044 0.000 0.713 483 K HN 0.342 nan 8.250 nan 0.000 0.443 484 P HA -0.131 nan 4.420 nan 0.000 0.218 484 P C -0.042 176.984 177.300 -0.458 0.000 1.146 484 P CA 1.157 64.061 63.100 -0.326 0.000 0.813 484 P CB 0.106 31.515 31.700 -0.486 0.000 0.778 485 F N 0.000 119.892 119.950 -0.096 0.000 2.286 485 F HA 0.000 4.522 4.527 -0.009 0.000 0.279 485 F CA 0.000 57.938 58.000 -0.103 0.000 1.383 485 F CB 0.000 38.938 39.000 -0.104 0.000 1.145 485 F HN 0.000 nan 8.300 nan 0.000 0.574