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 3haz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPNIPPPFTA PYAPDDAEIA ARLLPASHLS PPQEARIHRT ATRLIEAIRK DATA SEQUENCE RXXRLGGVED MLREFALSTK EGLALMVLAE ALLRVPDART ADQFIEDKLG DATA SEQUENCE EGDFIHHETK STAFLVNASA WAXXXXARVI QPGETPDGTI GRLVKRLGAP DATA SEQUENCE AVRTATRQAM RLMGNHFVLG ETIEQALERG KPRSGQKTRY SFDMLGEGAR DATA SEQUENCE TAADARRYFD AYASAIETIG KAAGNHALPD RPGISVKLSA LHPRFEAISR DATA SEQUENCE ARVMVELVPQ LLDLAQRAKA HDLNFTVDAE EADRLELSLD VIAATLADPS DATA SEQUENCE LKGWDGFGLA IQAYQKRASA VIDYVDALAR AHDRKLMVRL VKGAYWDTEI DATA SEQUENCE KRAQERGLDG YPVFTRKAMT DLNYVACASK LLALRPRIFP QFATHNALTV DATA SEQUENCE ATVLEMAEGS SGFEFQRLHG MGEALYEQLA KDHADIAYRT YAPVGSHRDL DATA SEQUENCE LAYLVRRLLE NGANSSFVAQ AADYRVPVPA LLQRPADAIV RPQAAAHPRI DATA SEQUENCE PLPCDLFAPE RRNSRGVEFG ARTALDQLLT DVKAETGDLK PIADATPDQA DATA SEQUENCE HAAVAAARAG FAGWSRTPAG IRAAALEQAA HLLESRSAHF IALLQREGGK DATA SEQUENCE TLDDALSELR EAADFCRYYA AQGRKLFGSE TAMPGPTGES NALTMRGRGV DATA SEQUENCE FVAISPWNFP LAIFLGQVTA ALMAGNSVVA KPAEQTPRIA REAVALLHEA DATA SEQUENCE GIPKSALYLV TGDGRIGAAL TAHPDIAGVV FTGSTEVARS INRALAAKDG DATA SEQUENCE PIVPLIAETG GINAMIADAT ALPEQVADDV VTSAFRSAGQ RCSALRLLFV DATA SEQUENCE QEDVADRMIE MVAGAARELK IGDPSDVATH VGPVIDVEAK QRLDAHIARM DATA SEQUENCE KTEARLHFAG PAPEGCFVAP HIFELTEAGQ LTEEVFGPIL HVVRYRPENL DATA SEQUENCE ERVLRAIERT GYGLTLGVHS RIDDSIEAII DRVQVGNIYV NRNMIGAVVG DATA SEQUENCE VQPFGGNGLS GTGPKAGGPH YLARFATEQT VTINTAAAG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.267 176.300 -0.056 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.028 0.000 1.302 2 P HA 0.243 nan 4.420 nan 0.000 0.273 2 P C -1.176 176.070 177.300 -0.090 0.000 1.250 2 P CA -0.117 62.944 63.100 -0.065 0.000 0.793 2 P CB 0.242 31.904 31.700 -0.063 0.000 1.011 3 N N 0.600 119.257 118.700 -0.072 0.000 2.492 3 N HA 0.063 4.781 4.740 -0.036 0.000 0.262 3 N C 0.191 175.634 175.510 -0.111 0.000 1.202 3 N CA 0.060 53.065 53.050 -0.074 0.000 0.926 3 N CB -0.045 38.418 38.487 -0.040 0.000 1.078 3 N HN 0.337 nan 8.380 nan 0.000 0.454 4 I N 3.585 124.076 120.570 -0.132 0.000 2.741 4 I HA -0.034 4.114 4.170 -0.036 0.000 0.288 4 I C -1.416 174.664 176.117 -0.062 0.000 1.192 4 I CA -1.049 60.163 61.300 -0.145 0.000 1.426 4 I CB -0.051 37.895 38.000 -0.091 0.000 1.367 4 I HN 0.271 nan 8.210 nan 0.000 0.563 5 P HA 0.151 nan 4.420 nan 0.000 0.269 5 P C -2.484 174.896 177.300 0.133 0.000 1.209 5 P CA -0.970 62.136 63.100 0.009 0.000 0.776 5 P CB -0.383 31.256 31.700 -0.101 0.000 0.876 6 P HA 0.220 nan 4.420 nan 0.000 0.270 6 P C -2.346 175.114 177.300 0.267 0.000 1.223 6 P CA -1.189 62.009 63.100 0.163 0.000 0.785 6 P CB -1.300 30.462 31.700 0.103 0.000 0.923 7 P HA -0.024 nan 4.420 nan 0.000 0.262 7 P C -0.342 177.028 177.300 0.117 0.000 1.182 7 P CA 0.218 63.423 63.100 0.175 0.000 0.761 7 P CB -0.050 31.707 31.700 0.094 0.000 0.795 8 F N 3.354 123.199 119.950 -0.175 0.000 2.578 8 F HA 0.180 4.687 4.527 -0.033 0.000 0.376 8 F C 1.121 176.847 175.800 -0.123 0.000 1.085 8 F CA 1.215 59.044 58.000 -0.286 0.000 1.260 8 F CB 0.452 39.058 39.000 -0.656 0.000 1.095 8 F HN 0.211 nan 8.300 nan 0.000 0.573 9 T N 5.709 119.833 114.554 -0.717 0.000 4.130 9 T HA 0.508 4.836 4.350 -0.036 0.000 0.262 9 T C -0.342 174.051 174.700 -0.511 0.000 0.951 9 T CA -0.033 61.795 62.100 -0.454 0.000 1.180 9 T CB -1.016 67.734 68.868 -0.197 0.000 1.009 9 T HN 0.875 nan 8.240 nan 0.000 0.536 10 A N 2.501 124.797 122.820 -0.874 0.000 2.425 10 A HA 0.630 4.929 4.320 -0.036 0.000 0.242 10 A C -2.211 175.267 177.584 -0.177 0.000 1.077 10 A CA -0.863 50.898 52.037 -0.461 0.000 0.781 10 A CB -0.230 18.527 19.000 -0.406 0.000 1.020 10 A HN 0.477 nan 8.150 nan 0.000 0.494 11 P HA 0.015 nan 4.420 nan 0.000 0.264 11 P C 0.029 177.348 177.300 0.033 0.000 1.193 11 P CA 0.340 63.433 63.100 -0.011 0.000 0.763 11 P CB 0.179 31.871 31.700 -0.013 0.000 0.810 12 Y N 3.890 124.156 120.300 -0.058 0.000 2.163 12 Y HA 0.034 4.564 4.550 -0.033 0.000 0.288 12 Y C 1.213 177.079 175.900 -0.058 0.000 1.136 12 Y CA 1.907 59.978 58.100 -0.048 0.000 1.147 12 Y CB 0.131 38.561 38.460 -0.049 0.000 0.987 12 Y HN 0.397 nan 8.280 nan 0.000 0.509 13 A N 0.849 123.706 122.820 0.062 0.000 3.355 13 A HA 0.384 4.682 4.320 -0.036 0.000 0.290 13 A C -2.597 174.981 177.584 -0.009 0.000 0.973 13 A CA -1.159 50.868 52.037 -0.017 0.000 0.933 13 A CB -0.528 18.488 19.000 0.027 0.000 1.138 13 A HN 0.103 nan 8.150 nan 0.000 0.490 14 P HA 0.149 nan 4.420 nan 0.000 0.271 14 P C -0.447 176.871 177.300 0.029 0.000 1.244 14 P CA 0.034 63.140 63.100 0.009 0.000 0.793 14 P CB 0.578 32.286 31.700 0.013 0.000 0.984 15 D N -0.301 120.128 120.400 0.047 0.000 2.383 15 D HA -0.006 4.612 4.640 -0.036 0.000 0.252 15 D C 0.427 176.792 176.300 0.108 0.000 1.166 15 D CA 0.228 54.269 54.000 0.069 0.000 0.879 15 D CB 0.073 40.907 40.800 0.057 0.000 1.164 15 D HN 0.110 nan 8.370 nan 0.000 0.462 16 D N 2.974 123.459 120.400 0.143 0.000 2.123 16 D HA -0.170 4.449 4.640 -0.036 0.000 0.196 16 D C 1.911 178.310 176.300 0.165 0.000 0.992 16 D CA 1.735 55.866 54.000 0.218 0.000 0.833 16 D CB -0.174 40.773 40.800 0.246 0.000 0.954 16 D HN 0.518 nan 8.370 nan 0.000 0.455 17 A N 0.888 123.775 122.820 0.113 0.000 1.883 17 A HA -0.261 4.037 4.320 -0.036 0.000 0.217 17 A C 2.017 179.644 177.584 0.071 0.000 1.186 17 A CA 1.706 53.790 52.037 0.079 0.000 0.624 17 A CB -0.652 18.385 19.000 0.062 0.000 0.822 17 A HN 0.228 nan 8.150 nan 0.000 0.444 18 E N -0.448 119.796 120.200 0.073 0.000 2.153 18 E HA -0.141 4.188 4.350 -0.036 0.000 0.194 18 E C 1.875 178.520 176.600 0.075 0.000 0.988 18 E CA 1.120 57.558 56.400 0.063 0.000 0.811 18 E CB -0.289 29.445 29.700 0.057 0.000 0.746 18 E HN 0.722 nan 8.360 nan 0.000 0.466 19 I N 1.111 121.748 120.570 0.111 0.000 2.202 19 I HA -0.230 3.918 4.170 -0.036 0.000 0.242 19 I C 2.565 178.734 176.117 0.086 0.000 1.091 19 I CA 0.864 62.245 61.300 0.134 0.000 1.368 19 I CB -0.307 37.848 38.000 0.259 0.000 1.058 19 I HN 0.067 nan 8.210 nan 0.000 0.410 20 A N 0.783 123.646 122.820 0.071 0.000 1.978 20 A HA -0.157 4.141 4.320 -0.036 0.000 0.220 20 A C 2.475 180.072 177.584 0.021 0.000 1.170 20 A CA 1.749 53.800 52.037 0.023 0.000 0.636 20 A CB -0.709 18.303 19.000 0.019 0.000 0.810 20 A HN 0.450 nan 8.150 nan 0.000 0.448 21 A N -0.458 122.382 122.820 0.033 0.000 2.067 21 A HA -0.098 4.201 4.320 -0.036 0.000 0.219 21 A C 2.225 179.823 177.584 0.023 0.000 1.158 21 A CA 1.368 53.420 52.037 0.025 0.000 0.661 21 A CB -0.300 18.717 19.000 0.028 0.000 0.801 21 A HN 0.602 nan 8.150 nan 0.000 0.452 22 R N -0.813 119.705 120.500 0.030 0.000 2.087 22 R HA 0.231 4.549 4.340 -0.036 0.000 0.216 22 R C 1.883 178.196 176.300 0.021 0.000 1.114 22 R CA 0.854 56.971 56.100 0.028 0.000 1.002 22 R CB -0.382 29.942 30.300 0.040 0.000 0.903 22 R HN 0.427 nan 8.270 nan 0.000 0.445 23 L N 0.925 122.158 121.223 0.017 0.000 2.141 23 L HA -0.104 4.214 4.340 -0.036 0.000 0.209 23 L C 2.331 179.200 176.870 -0.002 0.000 1.094 23 L CA 0.994 55.835 54.840 0.002 0.000 0.763 23 L CB -0.434 41.611 42.059 -0.024 0.000 0.908 23 L HN 0.167 nan 8.230 nan 0.000 0.437 24 L N -0.156 121.066 121.223 -0.001 0.000 1.994 24 L HA -0.136 4.183 4.340 -0.036 0.000 0.208 24 L C 0.033 176.914 176.870 0.018 0.000 1.071 24 L CA 1.515 56.357 54.840 0.002 0.000 0.745 24 L CB -1.663 40.396 42.059 -0.000 0.000 0.892 24 L HN 0.227 nan 8.230 nan 0.000 0.431 25 P HA -0.116 nan 4.420 nan 0.000 0.216 25 P C 1.346 178.671 177.300 0.042 0.000 1.153 25 P CA 1.522 64.632 63.100 0.018 0.000 0.844 25 P CB -0.019 31.682 31.700 0.002 0.000 0.787 26 A N 0.183 123.022 122.820 0.032 0.000 2.121 26 A HA -0.131 4.167 4.320 -0.036 0.000 0.218 26 A C 2.218 179.827 177.584 0.041 0.000 1.154 26 A CA 1.808 53.866 52.037 0.035 0.000 0.679 26 A CB -1.469 17.543 19.000 0.021 0.000 0.795 26 A HN 0.341 nan 8.150 nan 0.000 0.458 27 S N -0.896 114.827 115.700 0.039 0.000 2.522 27 S HA -0.065 4.384 4.470 -0.036 0.000 0.227 27 S C 0.786 175.407 174.600 0.034 0.000 0.986 27 S CA 0.288 58.500 58.200 0.021 0.000 0.929 27 S CB -0.727 62.476 63.200 0.005 0.000 0.769 27 S HN 0.704 nan 8.310 nan 0.000 0.529 28 H N 1.244 120.304 119.070 -0.017 0.000 3.001 28 H HA 0.442 4.976 4.556 -0.036 0.000 0.334 28 H C -0.471 174.848 175.328 -0.016 0.000 1.034 28 H CA 0.433 56.472 56.048 -0.016 0.000 1.420 28 H CB 0.149 29.903 29.762 -0.013 0.000 1.405 28 H HN 0.308 nan 8.280 nan 0.000 0.593 29 L N 3.575 124.387 121.223 -0.684 0.000 2.371 29 L HA 0.328 4.646 4.340 -0.036 0.000 0.262 29 L C 0.046 176.540 176.870 -0.628 0.000 1.006 29 L CA -1.124 53.419 54.840 -0.495 0.000 0.818 29 L CB 2.193 44.112 42.059 -0.233 0.000 1.354 29 L HN 0.795 nan 8.230 nan 0.000 0.415 30 S N 0.526 116.047 115.700 -0.298 0.000 2.584 30 S HA 0.217 4.666 4.470 -0.036 0.000 0.270 30 S C -2.049 172.482 174.600 -0.114 0.000 1.346 30 S CA -0.917 57.196 58.200 -0.146 0.000 1.018 30 S CB 0.725 63.899 63.200 -0.044 0.000 0.899 30 S HN 0.424 nan 8.310 nan 0.000 0.542 31 P HA -0.021 nan 4.420 nan 0.000 0.216 31 P C -1.550 175.726 177.300 -0.041 0.000 1.150 31 P CA 1.308 64.380 63.100 -0.046 0.000 0.843 31 P CB -1.126 30.561 31.700 -0.022 0.000 0.787 32 P HA -0.076 nan 4.420 nan 0.000 0.220 32 P C 1.649 178.937 177.300 -0.021 0.000 1.152 32 P CA 1.285 64.374 63.100 -0.019 0.000 0.812 32 P CB -0.346 31.348 31.700 -0.011 0.000 0.792 33 Q N -0.355 119.423 119.800 -0.038 0.000 2.046 33 Q HA -0.160 4.159 4.340 -0.036 0.000 0.200 33 Q C 2.045 178.022 176.000 -0.038 0.000 0.975 33 Q CA 1.059 56.837 55.803 -0.042 0.000 0.836 33 Q CB -0.368 28.329 28.738 -0.068 0.000 0.896 33 Q HN 0.249 nan 8.270 nan 0.000 0.428 34 E N 0.396 120.565 120.200 -0.052 0.000 2.153 34 E HA -0.152 4.177 4.350 -0.036 0.000 0.194 34 E C 1.861 178.466 176.600 0.009 0.000 0.988 34 E CA 1.052 57.432 56.400 -0.033 0.000 0.811 34 E CB -0.154 29.512 29.700 -0.057 0.000 0.746 34 E HN 0.342 nan 8.360 nan 0.000 0.466 35 A N 1.447 124.265 122.820 -0.004 0.000 1.898 35 A HA -0.163 4.135 4.320 -0.036 0.000 0.216 35 A C 2.194 179.809 177.584 0.052 0.000 1.181 35 A CA 1.218 53.264 52.037 0.015 0.000 0.620 35 A CB -0.368 18.627 19.000 -0.008 0.000 0.819 35 A HN 0.101 nan 8.150 nan 0.000 0.442 36 R N -0.625 119.894 120.500 0.033 0.000 2.081 36 R HA -0.042 4.276 4.340 -0.036 0.000 0.235 36 R C 2.011 178.337 176.300 0.043 0.000 1.131 36 R CA 1.571 57.695 56.100 0.041 0.000 0.960 36 R CB -0.499 29.820 30.300 0.031 0.000 0.856 36 R HN 0.559 nan 8.270 nan 0.000 0.436 37 I N -0.564 120.024 120.570 0.029 0.000 2.179 37 I HA -0.301 3.848 4.170 -0.036 0.000 0.242 37 I C 2.424 178.555 176.117 0.024 0.000 1.088 37 I CA 1.495 62.800 61.300 0.009 0.000 1.357 37 I CB -0.313 37.681 38.000 -0.009 0.000 1.051 37 I HN 0.225 nan 8.210 nan 0.000 0.409 38 H N 0.853 119.906 119.070 -0.028 0.000 2.352 38 H HA -0.198 4.336 4.556 -0.036 0.000 0.299 38 H C 2.432 177.750 175.328 -0.017 0.000 1.097 38 H CA 1.957 57.991 56.048 -0.023 0.000 1.311 38 H CB 0.029 29.777 29.762 -0.022 0.000 1.377 38 H HN 0.093 nan 8.280 nan 0.000 0.504 39 R N -0.520 120.037 120.500 0.095 0.000 2.062 39 R HA -0.120 4.198 4.340 -0.036 0.000 0.231 39 R C 2.018 178.314 176.300 -0.008 0.000 1.136 39 R CA 1.958 58.085 56.100 0.044 0.000 0.948 39 R CB -0.520 29.817 30.300 0.062 0.000 0.845 39 R HN 0.326 nan 8.270 nan 0.000 0.430 40 T N 0.962 115.523 114.554 0.012 0.000 2.665 40 T HA -0.202 4.127 4.350 -0.036 0.000 0.268 40 T C 1.821 176.489 174.700 -0.052 0.000 1.035 40 T CA 1.770 63.878 62.100 0.014 0.000 1.151 40 T CB -0.388 68.504 68.868 0.040 0.000 0.862 40 T HN 0.518 nan 8.240 nan 0.000 0.438 41 A N 1.008 123.772 122.820 -0.094 0.000 1.898 41 A HA -0.101 4.198 4.320 -0.036 0.000 0.216 41 A C 2.576 180.083 177.584 -0.128 0.000 1.181 41 A CA 2.042 54.002 52.037 -0.129 0.000 0.620 41 A CB -1.190 17.723 19.000 -0.144 0.000 0.819 41 A HN 0.486 nan 8.150 nan 0.000 0.442 42 T N -0.146 114.303 114.554 -0.176 0.000 2.720 42 T HA -0.159 4.170 4.350 -0.036 0.000 0.268 42 T C 2.040 176.688 174.700 -0.086 0.000 1.037 42 T CA 1.659 63.666 62.100 -0.154 0.000 1.144 42 T CB -0.251 68.513 68.868 -0.174 0.000 0.864 42 T HN 0.524 nan 8.240 nan 0.000 0.444 43 R N 0.458 120.917 120.500 -0.068 0.000 2.096 43 R HA 0.060 4.379 4.340 -0.036 0.000 0.235 43 R C 2.465 178.733 176.300 -0.053 0.000 1.127 43 R CA 0.967 57.038 56.100 -0.049 0.000 0.968 43 R CB -0.508 29.771 30.300 -0.033 0.000 0.861 43 R HN 0.370 nan 8.270 nan 0.000 0.440 44 L N 0.228 121.411 121.223 -0.068 0.000 2.027 44 L HA -0.165 4.153 4.340 -0.036 0.000 0.206 44 L C 2.346 179.189 176.870 -0.046 0.000 1.074 44 L CA 1.299 56.088 54.840 -0.086 0.000 0.745 44 L CB -0.381 41.589 42.059 -0.149 0.000 0.898 44 L HN 0.169 nan 8.230 nan 0.000 0.433 45 I N -0.394 120.163 120.570 -0.022 0.000 2.315 45 I HA -0.231 3.917 4.170 -0.036 0.000 0.248 45 I C 2.456 178.558 176.117 -0.025 0.000 1.117 45 I CA 1.070 62.375 61.300 0.007 0.000 1.404 45 I CB -0.225 37.781 38.000 0.009 0.000 1.071 45 I HN 0.270 nan 8.210 nan 0.000 0.419 46 E N 0.993 121.167 120.200 -0.044 0.000 2.058 46 E HA -0.254 4.074 4.350 -0.036 0.000 0.194 46 E C 2.375 178.955 176.600 -0.032 0.000 0.997 46 E CA 1.434 57.805 56.400 -0.050 0.000 0.801 46 E CB -0.199 29.470 29.700 -0.051 0.000 0.746 46 E HN 0.529 nan 8.360 nan 0.000 0.450 47 A N 1.195 123.999 122.820 -0.026 0.000 1.902 47 A HA -0.183 4.116 4.320 -0.036 0.000 0.217 47 A C 2.173 179.757 177.584 -0.000 0.000 1.181 47 A CA 1.126 53.155 52.037 -0.014 0.000 0.623 47 A CB -0.615 18.372 19.000 -0.022 0.000 0.818 47 A HN 0.155 nan 8.150 nan 0.000 0.443 48 I N -0.971 119.599 120.570 0.001 0.000 2.286 48 I HA -0.236 3.913 4.170 -0.036 0.000 0.248 48 I C 2.246 178.393 176.117 0.049 0.000 1.115 48 I CA 1.270 62.582 61.300 0.020 0.000 1.392 48 I CB -0.211 37.809 38.000 0.033 0.000 1.065 48 I HN 0.255 nan 8.210 nan 0.000 0.418 49 R N 0.247 120.778 120.500 0.052 0.000 2.356 49 R HA 0.001 4.320 4.340 -0.036 0.000 0.234 49 R C 1.818 178.167 176.300 0.081 0.000 0.929 49 R CA -0.038 56.135 56.100 0.122 0.000 1.084 49 R CB 0.061 30.369 30.300 0.014 0.000 1.105 49 R HN 0.294 nan 8.270 nan 0.000 0.515 50 K N 1.829 122.255 120.400 0.043 0.000 1.965 50 K HA -0.167 4.132 4.320 -0.036 0.000 0.214 50 K C 0.461 177.099 176.600 0.064 0.000 1.046 50 K CA 1.778 58.084 56.287 0.031 0.000 0.944 50 K CB 0.066 32.577 32.500 0.019 0.000 0.726 50 K HN 0.137 nan 8.250 nan 0.000 0.441 55 L N -0.885 120.364 121.223 0.043 0.000 2.471 55 L HA 0.949 5.267 4.340 -0.036 0.000 0.186 55 L C 1.527 178.421 176.870 0.039 0.000 1.191 55 L CA 1.931 56.795 54.840 0.040 0.000 0.835 55 L CB -0.960 41.125 42.059 0.043 0.000 1.092 55 L HN 2.580 nan 8.230 nan 0.000 0.495 56 G N -3.585 105.249 108.800 0.057 0.000 2.359 56 G HA2 0.578 4.516 3.960 -0.036 0.000 0.293 56 G HA3 0.578 4.516 3.960 -0.036 0.000 0.293 56 G C -0.287 174.661 174.900 0.080 0.000 1.300 56 G CA 0.185 45.312 45.100 0.044 0.000 0.888 56 G HN 1.520 nan 8.290 nan 0.000 0.541 57 G N -2.001 106.821 108.800 0.037 0.000 3.140 57 G HA2 0.649 4.587 3.960 -0.036 0.000 0.271 57 G HA3 0.649 4.587 3.960 -0.036 0.000 0.271 57 G C 1.005 175.937 174.900 0.054 0.000 1.370 57 G CA 0.537 45.657 45.100 0.033 0.000 1.014 57 G HN 1.255 nan 8.290 nan 0.000 0.541 58 V N 0.753 120.701 119.914 0.057 0.000 2.332 58 V HA -0.104 3.994 4.120 -0.036 0.000 0.248 58 V C 3.401 179.518 176.094 0.038 0.000 1.055 58 V CA 3.193 65.536 62.300 0.071 0.000 1.038 58 V CB -1.099 30.774 31.823 0.084 0.000 0.651 58 V HN 0.947 nan 8.190 nan 0.000 0.450 59 E N -0.076 120.127 120.200 0.005 0.000 2.118 59 E HA -0.332 3.996 4.350 -0.036 0.000 0.195 59 E C 1.830 178.418 176.600 -0.020 0.000 0.992 59 E CA 1.728 58.120 56.400 -0.014 0.000 0.804 59 E CB -0.686 28.991 29.700 -0.038 0.000 0.741 59 E HN 0.739 nan 8.360 nan 0.000 0.458 60 D N -0.501 119.888 120.400 -0.019 0.000 2.117 60 D HA -0.115 4.504 4.640 -0.036 0.000 0.197 60 D C 2.084 178.390 176.300 0.011 0.000 0.987 60 D CA 1.579 55.560 54.000 -0.030 0.000 0.829 60 D CB -0.237 40.546 40.800 -0.027 0.000 0.961 60 D HN 0.515 nan 8.370 nan 0.000 0.460 61 M N 0.343 119.983 119.600 0.066 0.000 2.099 61 M HA -0.116 4.342 4.480 -0.036 0.000 0.262 61 M C 2.092 178.490 176.300 0.164 0.000 1.067 61 M CA 1.101 56.493 55.300 0.154 0.000 1.124 61 M CB 0.025 32.710 32.600 0.141 0.000 1.353 61 M HN -0.061 nan 8.290 nan 0.000 0.410 62 L N -0.420 120.856 121.223 0.088 0.000 2.042 62 L HA -0.229 4.090 4.340 -0.036 0.000 0.210 62 L C 2.756 179.655 176.870 0.049 0.000 1.076 62 L CA 1.528 56.410 54.840 0.070 0.000 0.749 62 L CB -0.820 41.260 42.059 0.035 0.000 0.893 62 L HN 0.401 nan 8.230 nan 0.000 0.432 63 R N 0.423 120.925 120.500 0.004 0.000 2.062 63 R HA -0.159 4.159 4.340 -0.036 0.000 0.229 63 R C 2.479 178.735 176.300 -0.073 0.000 1.128 63 R CA 1.621 57.696 56.100 -0.042 0.000 0.960 63 R CB -0.221 30.030 30.300 -0.081 0.000 0.855 63 R HN 0.356 nan 8.270 nan 0.000 0.432 64 E N 0.353 120.493 120.200 -0.101 0.000 2.085 64 E HA -0.194 4.134 4.350 -0.036 0.000 0.194 64 E C 1.541 177.883 176.600 -0.430 0.000 0.994 64 E CA 1.721 57.952 56.400 -0.282 0.000 0.801 64 E CB -0.658 28.838 29.700 -0.339 0.000 0.743 64 E HN 0.536 nan 8.360 nan 0.000 0.453 65 F N -0.785 119.151 119.950 -0.023 0.000 2.664 65 F HA 0.590 5.096 4.527 -0.036 0.000 0.303 65 F C 1.505 177.295 175.800 -0.018 0.000 1.092 65 F CA 0.039 58.028 58.000 -0.017 0.000 1.305 65 F CB 0.359 39.353 39.000 -0.010 0.000 1.054 65 F HN 0.296 nan 8.300 nan 0.000 0.565 66 A N 1.089 123.956 122.820 0.079 0.000 2.560 66 A HA -0.237 4.062 4.320 -0.036 0.000 0.299 66 A C -0.049 177.575 177.584 0.066 0.000 1.484 66 A CA 0.296 52.361 52.037 0.046 0.000 0.749 66 A CB -2.440 16.573 19.000 0.021 0.000 1.072 66 A HN 0.391 nan 8.150 nan 0.000 0.426 67 L N 1.040 122.311 121.223 0.081 0.000 2.326 67 L HA 0.489 4.808 4.340 -0.036 0.000 0.278 67 L C 1.342 178.234 176.870 0.035 0.000 1.092 67 L CA 0.040 54.917 54.840 0.061 0.000 0.810 67 L CB 1.534 43.633 42.059 0.067 0.000 1.153 67 L HN 0.743 nan 8.230 nan 0.000 0.439 68 S N -0.258 115.457 115.700 0.025 0.000 2.596 68 S HA 0.024 4.472 4.470 -0.036 0.000 0.260 68 S C 1.342 175.954 174.600 0.019 0.000 1.336 68 S CA -0.064 58.148 58.200 0.019 0.000 0.993 68 S CB 1.013 64.222 63.200 0.015 0.000 0.923 68 S HN 0.813 nan 8.310 nan 0.000 0.567 69 T N -1.220 113.344 114.554 0.018 0.000 2.788 69 T HA -0.168 4.161 4.350 -0.036 0.000 0.268 69 T C 1.591 176.301 174.700 0.017 0.000 1.044 69 T CA 1.386 63.496 62.100 0.017 0.000 1.139 69 T CB -0.504 68.375 68.868 0.017 0.000 0.867 69 T HN 0.699 nan 8.240 nan 0.000 0.454 70 K N 1.145 121.555 120.400 0.017 0.000 2.097 70 K HA -0.135 4.163 4.320 -0.036 0.000 0.206 70 K C 2.312 178.920 176.600 0.013 0.000 1.049 70 K CA 1.565 57.862 56.287 0.017 0.000 0.933 70 K CB -0.130 32.381 32.500 0.017 0.000 0.717 70 K HN 0.552 nan 8.250 nan 0.000 0.442 71 E N -0.691 119.515 120.200 0.012 0.000 2.072 71 E HA -0.100 4.229 4.350 -0.036 0.000 0.190 71 E C 1.979 178.579 176.600 -0.000 0.000 0.982 71 E CA 0.903 57.307 56.400 0.006 0.000 0.803 71 E CB -0.141 29.564 29.700 0.007 0.000 0.755 71 E HN 0.500 nan 8.360 nan 0.000 0.453 72 G N 1.641 110.445 108.800 0.007 0.000 2.446 72 G HA2 -0.276 3.662 3.960 -0.036 0.000 0.217 72 G HA3 -0.276 3.662 3.960 -0.036 0.000 0.217 72 G C 1.591 176.488 174.900 -0.005 0.000 1.168 72 G CA 0.601 45.704 45.100 0.006 0.000 0.771 72 G HN 0.179 nan 8.290 nan 0.000 0.551 73 L N 0.681 121.904 121.223 0.001 0.000 2.017 73 L HA 0.044 4.362 4.340 -0.036 0.000 0.208 73 L C 3.183 180.043 176.870 -0.017 0.000 1.073 73 L CA 1.875 56.711 54.840 -0.006 0.000 0.745 73 L CB -0.275 41.788 42.059 0.007 0.000 0.894 73 L HN 0.255 nan 8.230 nan 0.000 0.432 74 A N -0.332 122.484 122.820 -0.007 0.000 1.933 74 A HA -0.160 4.138 4.320 -0.036 0.000 0.218 74 A C 2.171 179.741 177.584 -0.023 0.000 1.175 74 A CA 1.761 53.795 52.037 -0.004 0.000 0.628 74 A CB -0.777 18.234 19.000 0.018 0.000 0.814 74 A HN 0.520 nan 8.150 nan 0.000 0.444 75 L N -1.442 119.761 121.223 -0.033 0.000 2.109 75 L HA -0.105 4.213 4.340 -0.036 0.000 0.207 75 L C 2.760 179.583 176.870 -0.078 0.000 1.086 75 L CA 1.060 55.868 54.840 -0.053 0.000 0.760 75 L CB -0.461 41.557 42.059 -0.069 0.000 0.910 75 L HN 0.404 nan 8.230 nan 0.000 0.437 76 M N -0.960 118.594 119.600 -0.077 0.000 2.175 76 M HA -0.157 4.301 4.480 -0.036 0.000 0.264 76 M C 2.270 178.481 176.300 -0.148 0.000 1.063 76 M CA 1.221 56.454 55.300 -0.111 0.000 1.119 76 M CB -0.247 32.288 32.600 -0.108 0.000 1.377 76 M HN 0.060 nan 8.290 nan 0.000 0.415 77 V N 0.440 120.280 119.914 -0.124 0.000 2.307 77 V HA -0.240 3.858 4.120 -0.036 0.000 0.245 77 V C 2.299 178.262 176.094 -0.220 0.000 1.045 77 V CA 1.474 63.688 62.300 -0.144 0.000 1.024 77 V CB -0.631 31.139 31.823 -0.089 0.000 0.651 77 V HN 0.398 nan 8.190 nan 0.000 0.449 78 L N 1.003 122.113 121.223 -0.188 0.000 2.046 78 L HA -0.092 4.227 4.340 -0.036 0.000 0.208 78 L C 2.442 179.129 176.870 -0.305 0.000 1.077 78 L CA 2.358 57.045 54.840 -0.256 0.000 0.747 78 L CB -1.041 40.961 42.059 -0.094 0.000 0.896 78 L HN 0.225 nan 8.230 nan 0.000 0.432 79 A N -0.638 122.058 122.820 -0.207 0.000 1.883 79 A HA -0.280 4.019 4.320 -0.036 0.000 0.217 79 A C 2.272 179.711 177.584 -0.242 0.000 1.186 79 A CA 1.884 53.809 52.037 -0.186 0.000 0.624 79 A CB -0.795 18.127 19.000 -0.130 0.000 0.822 79 A HN 0.559 nan 8.150 nan 0.000 0.444 80 E N 0.194 120.239 120.200 -0.259 0.000 2.051 80 E HA -0.059 4.270 4.350 -0.036 0.000 0.192 80 E C 2.040 178.381 176.600 -0.432 0.000 0.991 80 E CA 1.680 57.931 56.400 -0.248 0.000 0.799 80 E CB -0.551 29.040 29.700 -0.181 0.000 0.748 80 E HN 0.459 nan 8.360 nan 0.000 0.449 81 A N 0.603 122.988 122.820 -0.724 0.000 1.892 81 A HA -0.188 4.110 4.320 -0.036 0.000 0.218 81 A C 2.368 179.303 177.584 -1.082 0.000 1.188 81 A CA 1.754 52.919 52.037 -1.453 0.000 0.631 81 A CB -0.926 16.909 19.000 -1.941 0.000 0.822 81 A HN 0.363 nan 8.150 nan 0.000 0.447 82 L N -0.841 119.965 121.223 -0.696 0.000 2.131 82 L HA -0.135 4.183 4.340 -0.036 0.000 0.210 82 L C 2.406 179.134 176.870 -0.238 0.000 1.092 82 L CA 0.813 55.430 54.840 -0.372 0.000 0.759 82 L CB -0.396 41.532 42.059 -0.218 0.000 0.903 82 L HN 0.367 nan 8.230 nan 0.000 0.435 83 L N -0.646 120.442 121.223 -0.225 0.000 2.291 83 L HA -0.101 4.218 4.340 -0.036 0.000 0.214 83 L C 2.181 178.994 176.870 -0.094 0.000 1.120 83 L CA 0.603 55.370 54.840 -0.121 0.000 0.799 83 L CB -0.278 41.730 42.059 -0.084 0.000 0.925 83 L HN 0.238 nan 8.230 nan 0.000 0.446 84 R N -0.472 119.930 120.500 -0.165 0.000 2.334 84 R HA 0.192 4.510 4.340 -0.036 0.000 0.216 84 R C 0.071 176.338 176.300 -0.054 0.000 0.905 84 R CA -0.003 56.062 56.100 -0.058 0.000 1.064 84 R CB -0.051 30.276 30.300 0.045 0.000 1.046 84 R HN 0.077 nan 8.270 nan 0.000 0.508 85 V N 4.377 124.237 119.914 -0.091 0.000 2.508 85 V HA 0.024 4.123 4.120 -0.036 0.000 0.281 85 V C -0.832 175.265 176.094 0.006 0.000 1.041 85 V CA -0.888 61.403 62.300 -0.014 0.000 1.016 85 V CB 1.344 33.168 31.823 0.002 0.000 0.984 85 V HN 0.089 nan 8.190 nan 0.000 0.478 86 P HA -0.140 nan 4.420 nan 0.000 0.216 86 P C 0.290 177.600 177.300 0.017 0.000 1.153 86 P CA 1.154 64.269 63.100 0.024 0.000 0.858 86 P CB 0.289 32.006 31.700 0.028 0.000 0.789 87 D N -1.091 119.318 120.400 0.015 0.000 2.392 87 D HA 0.377 4.995 4.640 -0.036 0.000 0.228 87 D C 1.071 177.379 176.300 0.013 0.000 1.074 87 D CA -0.533 53.475 54.000 0.014 0.000 0.838 87 D CB 1.396 42.205 40.800 0.014 0.000 1.067 87 D HN -0.094 nan 8.370 nan 0.000 0.511 88 A N 4.338 127.165 122.820 0.011 0.000 1.948 88 A HA -0.195 4.103 4.320 -0.036 0.000 0.220 88 A C 2.274 179.869 177.584 0.019 0.000 1.177 88 A CA 2.364 54.408 52.037 0.011 0.000 0.636 88 A CB -0.622 18.383 19.000 0.010 0.000 0.815 88 A HN 0.650 nan 8.150 nan 0.000 0.449 89 R N -0.935 119.576 120.500 0.019 0.000 2.120 89 R HA -0.083 4.235 4.340 -0.036 0.000 0.234 89 R C 2.216 178.535 176.300 0.031 0.000 1.123 89 R CA 2.322 58.435 56.100 0.023 0.000 0.975 89 R CB -2.135 28.175 30.300 0.017 0.000 0.866 89 R HN 0.584 nan 8.270 nan 0.000 0.446 90 T N 0.349 114.921 114.554 0.030 0.000 2.708 90 T HA -0.014 4.314 4.350 -0.036 0.000 0.266 90 T C 2.436 177.178 174.700 0.070 0.000 1.037 90 T CA 1.604 63.728 62.100 0.039 0.000 1.146 90 T CB -0.514 68.367 68.868 0.022 0.000 0.865 90 T HN 0.686 nan 8.240 nan 0.000 0.435 91 A N 2.022 124.876 122.820 0.057 0.000 1.877 91 A HA -0.179 4.120 4.320 -0.036 0.000 0.216 91 A C 2.124 179.783 177.584 0.124 0.000 1.186 91 A CA 1.895 53.981 52.037 0.082 0.000 0.620 91 A CB -0.828 18.188 19.000 0.027 0.000 0.822 91 A HN 0.348 nan 8.150 nan 0.000 0.443 92 D N -0.847 119.597 120.400 0.074 0.000 2.116 92 D HA -0.143 4.476 4.640 -0.036 0.000 0.193 92 D C 2.582 178.920 176.300 0.064 0.000 0.998 92 D CA 2.320 56.356 54.000 0.059 0.000 0.836 92 D CB -0.627 40.194 40.800 0.036 0.000 0.951 92 D HN 0.623 nan 8.370 nan 0.000 0.449 93 Q N 0.124 119.965 119.800 0.069 0.000 2.079 93 Q HA -0.123 4.195 4.340 -0.036 0.000 0.200 93 Q C 2.099 178.135 176.000 0.060 0.000 0.974 93 Q CA 1.452 57.285 55.803 0.050 0.000 0.840 93 Q CB -1.355 27.410 28.738 0.046 0.000 0.898 93 Q HN 0.458 nan 8.270 nan 0.000 0.430 94 F N 0.661 120.592 119.950 -0.031 0.000 2.069 94 F HA -0.119 4.387 4.527 -0.036 0.000 0.298 94 F C 2.128 177.900 175.800 -0.047 0.000 1.113 94 F CA 1.844 59.813 58.000 -0.052 0.000 1.214 94 F CB -0.160 38.811 39.000 -0.049 0.000 0.978 94 F HN 0.256 nan 8.300 nan 0.000 0.474 95 I N 0.201 120.837 120.570 0.111 0.000 2.163 95 I HA -0.284 3.864 4.170 -0.036 0.000 0.243 95 I C 2.303 178.370 176.117 -0.084 0.000 1.085 95 I CA 1.458 62.766 61.300 0.013 0.000 1.347 95 I CB -0.497 37.553 38.000 0.083 0.000 1.044 95 I HN 0.181 nan 8.210 nan 0.000 0.408 96 E N 0.401 120.570 120.200 -0.053 0.000 2.076 96 E HA -0.144 4.185 4.350 -0.036 0.000 0.190 96 E C 1.655 178.203 176.600 -0.086 0.000 0.979 96 E CA 1.103 57.472 56.400 -0.052 0.000 0.807 96 E CB -0.209 29.478 29.700 -0.022 0.000 0.761 96 E HN 0.487 nan 8.360 nan 0.000 0.454 97 D N -0.248 120.081 120.400 -0.118 0.000 2.262 97 D HA 0.003 4.621 4.640 -0.036 0.000 0.212 97 D C 1.693 177.884 176.300 -0.182 0.000 0.964 97 D CA 0.694 54.623 54.000 -0.118 0.000 0.875 97 D CB 0.333 41.083 40.800 -0.083 0.000 0.996 97 D HN -0.019 nan 8.370 nan 0.000 0.497 98 K N -0.003 120.190 120.400 -0.345 0.000 2.273 98 K HA 0.133 4.431 4.320 -0.036 0.000 0.206 98 K C 0.751 177.111 176.600 -0.399 0.000 1.072 98 K CA -0.398 55.639 56.287 -0.417 0.000 0.953 98 K CB -0.370 31.739 32.500 -0.652 0.000 1.043 98 K HN 0.046 nan 8.250 nan 0.000 0.477 99 L N 1.800 122.605 121.223 -0.697 0.000 2.540 99 L HA 0.123 4.442 4.340 -0.036 0.000 0.276 99 L C 0.983 177.820 176.870 -0.055 0.000 1.212 99 L CA 1.736 56.375 54.840 -0.336 0.000 0.893 99 L CB -0.106 41.783 42.059 -0.284 0.000 1.138 99 L HN 0.737 nan 8.230 nan 0.000 0.491 100 G N 2.836 111.718 108.800 0.137 0.000 2.234 100 G HA2 -0.284 3.655 3.960 -0.036 0.000 0.260 100 G HA3 -0.284 3.655 3.960 -0.036 0.000 0.260 100 G C 0.966 176.000 174.900 0.223 0.000 0.987 100 G CA 0.467 45.724 45.100 0.261 0.000 0.625 100 G HN 0.626 nan 8.290 nan 0.000 0.532 101 E N 0.548 120.742 120.200 -0.009 0.000 2.230 101 E HA 0.387 4.715 4.350 -0.036 0.000 0.192 101 E C 1.532 177.966 176.600 -0.275 0.000 0.987 101 E CA 1.471 57.826 56.400 -0.075 0.000 0.841 101 E CB 0.355 29.991 29.700 -0.106 0.000 0.783 101 E HN 1.364 nan 8.360 nan 0.000 0.481 102 G N -0.172 108.183 108.800 -0.742 0.000 2.336 102 G HA2 0.078 4.016 3.960 -0.036 0.000 0.286 102 G HA3 0.078 4.016 3.960 -0.036 0.000 0.286 102 G C -1.388 172.802 174.900 -1.183 0.000 1.269 102 G CA -0.258 44.100 45.100 -1.236 0.000 0.873 102 G HN -0.101 nan 8.290 nan 0.000 0.494 103 D N -0.799 119.112 120.400 -0.816 0.000 2.737 103 D HA -0.154 4.464 4.640 -0.036 0.000 0.233 103 D C 1.259 177.151 176.300 -0.680 0.000 1.155 103 D CA 1.160 54.768 54.000 -0.653 0.000 0.667 103 D CB -0.824 39.562 40.800 -0.690 0.000 1.060 103 D HN 0.323 nan 8.370 nan 0.000 0.427 104 F N -0.082 119.762 119.950 -0.177 0.000 2.069 104 F HA -0.097 4.409 4.527 -0.036 0.000 0.298 104 F C 2.590 178.397 175.800 0.011 0.000 1.113 104 F CA 0.869 58.839 58.000 -0.051 0.000 1.214 104 F CB -0.529 38.470 39.000 -0.001 0.000 0.978 104 F HN 0.185 nan 8.300 nan 0.000 0.474 105 I N -1.083 119.610 120.570 0.207 0.000 2.353 105 I HA -0.275 3.873 4.170 -0.036 0.000 0.248 105 I C 2.464 178.672 176.117 0.150 0.000 1.119 105 I CA 1.365 62.763 61.300 0.164 0.000 1.417 105 I CB -0.525 37.558 38.000 0.139 0.000 1.078 105 I HN 0.162 nan 8.210 nan 0.000 0.421 106 H N 0.649 119.723 119.070 0.008 0.000 2.319 106 H HA -0.227 4.308 4.556 -0.036 0.000 0.299 106 H C 2.241 177.670 175.328 0.169 0.000 1.092 106 H CA 2.284 58.346 56.048 0.024 0.000 1.302 106 H CB -0.204 29.510 29.762 -0.080 0.000 1.373 106 H HN 0.414 nan 8.280 nan 0.000 0.497 107 H N -0.869 118.333 119.070 0.220 0.000 2.353 107 H HA -0.100 4.434 4.556 -0.036 0.000 0.300 107 H C 2.337 177.795 175.328 0.217 0.000 1.090 107 H CA 0.948 57.166 56.048 0.284 0.000 1.327 107 H CB 0.115 30.111 29.762 0.391 0.000 1.383 107 H HN 0.523 nan 8.280 nan 0.000 0.508 108 E N 0.454 120.823 120.200 0.282 0.000 2.077 108 E HA -0.154 4.175 4.350 -0.036 0.000 0.193 108 E C 1.843 178.513 176.600 0.118 0.000 0.989 108 E CA 1.642 58.145 56.400 0.172 0.000 0.800 108 E CB 0.164 29.950 29.700 0.144 0.000 0.746 108 E HN 0.346 nan 8.360 nan 0.000 0.452 109 T N 1.083 115.697 114.554 0.099 0.000 2.737 109 T HA -0.099 4.229 4.350 -0.036 0.000 0.265 109 T C 1.753 176.485 174.700 0.054 0.000 1.038 109 T CA 1.019 63.154 62.100 0.059 0.000 1.144 109 T CB -0.052 68.839 68.868 0.039 0.000 0.866 109 T HN 0.031 nan 8.240 nan 0.000 0.434 110 K N 1.704 122.129 120.400 0.041 0.000 2.026 110 K HA -0.046 4.253 4.320 -0.036 0.000 0.208 110 K C 2.821 179.588 176.600 0.277 0.000 1.048 110 K CA 1.622 57.998 56.287 0.148 0.000 0.929 110 K CB -0.897 31.664 32.500 0.101 0.000 0.713 110 K HN 0.534 nan 8.250 nan 0.000 0.439 111 S N 0.184 115.998 115.700 0.192 0.000 2.382 111 S HA -0.112 4.336 4.470 -0.036 0.000 0.228 111 S C 2.072 176.637 174.600 -0.059 0.000 1.027 111 S CA 1.749 59.840 58.200 -0.182 0.000 0.991 111 S CB -0.699 62.315 63.200 -0.310 0.000 0.823 111 S HN 0.227 nan 8.310 nan 0.000 0.469 112 T N 2.536 117.100 114.554 0.016 0.000 2.812 112 T HA 0.232 4.560 4.350 -0.036 0.000 0.264 112 T C 2.262 176.984 174.700 0.037 0.000 1.042 112 T CA 1.070 63.182 62.100 0.020 0.000 1.140 112 T CB -0.756 68.130 68.868 0.030 0.000 0.870 112 T HN 0.599 nan 8.240 nan 0.000 0.445 113 A N 1.466 124.323 122.820 0.061 0.000 1.940 113 A HA -0.061 4.237 4.320 -0.036 0.000 0.219 113 A C 1.967 179.585 177.584 0.058 0.000 1.176 113 A CA 1.335 53.404 52.037 0.053 0.000 0.631 113 A CB -1.104 17.934 19.000 0.063 0.000 0.814 113 A HN 0.491 nan 8.150 nan 0.000 0.446 114 F N 0.845 120.762 119.950 -0.055 0.000 2.147 114 F HA -0.214 4.292 4.527 -0.036 0.000 0.301 114 F C 1.713 177.428 175.800 -0.142 0.000 1.084 114 F CA 1.806 59.742 58.000 -0.106 0.000 1.268 114 F CB -0.271 38.565 39.000 -0.273 0.000 1.009 114 F HN 0.171 nan 8.300 nan 0.000 0.486 115 L N -0.191 120.894 121.223 -0.230 0.000 2.201 115 L HA -0.139 4.179 4.340 -0.036 0.000 0.212 115 L C 2.230 178.977 176.870 -0.205 0.000 1.105 115 L CA 1.165 55.839 54.840 -0.277 0.000 0.775 115 L CB -0.678 41.327 42.059 -0.090 0.000 0.913 115 L HN 0.319 nan 8.230 nan 0.000 0.440 116 V N -5.401 114.424 119.914 -0.149 0.000 3.379 116 V HA 0.235 4.334 4.120 -0.036 0.000 0.249 116 V C 0.654 176.678 176.094 -0.117 0.000 1.184 116 V CA 0.061 62.297 62.300 -0.108 0.000 1.106 116 V CB 0.127 31.916 31.823 -0.057 0.000 0.826 116 V HN 0.347 nan 8.190 nan 0.000 0.465 117 N N 0.846 119.473 118.700 -0.121 0.000 2.762 117 N HA 0.565 5.283 4.740 -0.036 0.000 0.252 117 N C 0.798 176.267 175.510 -0.069 0.000 1.269 117 N CA 0.446 53.453 53.050 -0.071 0.000 0.799 117 N CB 1.439 39.916 38.487 -0.016 0.000 1.173 117 N HN 0.294 nan 8.380 nan 0.000 0.516 118 A N 1.518 124.247 122.820 -0.152 0.000 1.917 118 A HA -0.198 4.100 4.320 -0.036 0.000 0.219 118 A C 1.982 179.667 177.584 0.169 0.000 1.182 118 A CA 2.343 54.309 52.037 -0.117 0.000 0.633 118 A CB -0.681 18.242 19.000 -0.128 0.000 0.819 118 A HN 0.681 nan 8.150 nan 0.000 0.448 119 S N -0.030 115.728 115.700 0.098 0.000 2.474 119 S HA 0.129 4.578 4.470 -0.036 0.000 0.235 119 S C 1.911 176.590 174.600 0.131 0.000 0.997 119 S CA 1.064 59.332 58.200 0.113 0.000 0.949 119 S CB -0.542 62.696 63.200 0.062 0.000 0.766 119 S HN 0.888 nan 8.310 nan 0.000 0.517 120 A N 1.325 124.233 122.820 0.146 0.000 1.933 120 A HA -0.014 4.285 4.320 -0.036 0.000 0.218 120 A C 0.944 178.642 177.584 0.190 0.000 1.175 120 A CA 0.579 52.700 52.037 0.139 0.000 0.628 120 A CB -0.589 18.484 19.000 0.121 0.000 0.814 120 A HN 0.821 nan 8.150 nan 0.000 0.444 121 W N 0.396 121.744 121.300 0.080 0.000 2.316 121 W HA 0.589 5.228 4.660 -0.036 0.000 0.308 121 W C -0.519 175.985 176.519 -0.026 0.000 1.106 121 W CA -0.539 56.805 57.345 -0.001 0.000 1.262 121 W CB 0.688 30.113 29.460 -0.058 0.000 1.233 121 W HN 0.322 nan 8.180 nan 0.000 0.447 128 R N 0.038 120.517 120.500 -0.035 0.000 2.541 128 R HA 0.812 5.130 4.340 -0.036 0.000 0.254 128 R C -0.127 176.136 176.300 -0.060 0.000 1.130 128 R CA 0.075 56.135 56.100 -0.067 0.000 1.152 128 R CB 1.302 31.533 30.300 -0.116 0.000 1.222 128 R HN 1.103 nan 8.270 nan 0.000 0.579 129 V N 1.767 121.634 119.914 -0.079 0.000 2.409 129 V HA 0.374 4.473 4.120 -0.036 0.000 0.290 129 V C -0.223 175.816 176.094 -0.092 0.000 1.017 129 V CA -0.651 61.606 62.300 -0.072 0.000 0.841 129 V CB 1.342 33.130 31.823 -0.058 0.000 1.003 129 V HN 0.545 nan 8.190 nan 0.000 0.426 130 I N 5.044 125.556 120.570 -0.097 0.000 2.322 130 I HA 0.493 4.642 4.170 -0.036 0.000 0.292 130 I C 1.002 177.059 176.117 -0.099 0.000 1.060 130 I CA -0.226 61.000 61.300 -0.124 0.000 1.309 130 I CB 1.063 38.972 38.000 -0.153 0.000 1.415 130 I HN 0.859 nan 8.210 nan 0.000 0.492 131 Q N 8.346 128.091 119.800 -0.092 0.000 2.352 131 Q HA 0.356 4.674 4.340 -0.036 0.000 0.260 131 Q C -2.515 173.449 176.000 -0.060 0.000 0.976 131 Q CA -1.333 54.431 55.803 -0.065 0.000 0.881 131 Q CB -0.721 27.984 28.738 -0.054 0.000 1.235 131 Q HN 0.432 nan 8.270 nan 0.000 0.419 132 P HA 0.506 nan 4.420 nan 0.000 0.274 132 P C 0.812 178.108 177.300 -0.006 0.000 1.237 132 P CA 1.038 64.124 63.100 -0.023 0.000 0.793 132 P CB 0.956 32.647 31.700 -0.015 0.000 0.977 133 G N -0.386 108.423 108.800 0.015 0.000 2.143 133 G HA2 -0.275 3.663 3.960 -0.036 0.000 0.248 133 G HA3 -0.275 3.663 3.960 -0.036 0.000 0.248 133 G C 0.160 175.088 174.900 0.047 0.000 0.991 133 G CA 0.138 45.256 45.100 0.029 0.000 0.689 133 G HN 0.743 nan 8.290 nan 0.000 0.522 134 E N 0.884 121.119 120.200 0.059 0.000 2.376 134 E HA 0.495 4.824 4.350 -0.036 0.000 0.266 134 E C 1.025 177.735 176.600 0.183 0.000 1.009 134 E CA 0.305 56.761 56.400 0.093 0.000 0.902 134 E CB 0.119 29.844 29.700 0.042 0.000 0.972 134 E HN 0.598 nan 8.360 nan 0.000 0.439 135 T N 5.160 119.793 114.554 0.133 0.000 2.831 135 T HA 0.149 4.477 4.350 -0.036 0.000 0.291 135 T C -2.167 172.623 174.700 0.150 0.000 0.981 135 T CA -1.225 60.939 62.100 0.106 0.000 1.174 135 T CB -0.017 68.887 68.868 0.060 0.000 0.929 135 T HN 0.233 nan 8.240 nan 0.000 0.532 136 P HA 0.276 nan 4.420 nan 0.000 0.273 136 P C -0.926 176.201 177.300 -0.288 0.000 1.319 136 P CA -0.291 62.564 63.100 -0.409 0.000 0.885 136 P CB 0.401 31.828 31.700 -0.454 0.000 1.015 137 D N 1.647 121.953 120.400 -0.157 0.000 2.585 137 D HA 0.697 5.316 4.640 -0.036 0.000 0.254 137 D C 0.392 176.680 176.300 -0.020 0.000 1.067 137 D CA -0.830 53.137 54.000 -0.055 0.000 1.090 137 D CB 0.600 41.420 40.800 0.034 0.000 1.408 137 D HN 0.419 nan 8.370 nan 0.000 0.554 138 G N -1.389 107.420 108.800 0.015 0.000 2.795 138 G HA2 -0.200 3.738 3.960 -0.036 0.000 0.664 138 G HA3 -0.200 3.738 3.960 -0.036 0.000 0.664 138 G C 0.672 175.577 174.900 0.009 0.000 1.381 138 G CA 0.092 45.220 45.100 0.046 0.000 0.853 138 G HN 0.616 nan 8.290 nan 0.000 0.545 139 T N 0.345 114.919 114.554 0.033 0.000 2.788 139 T HA -0.041 4.288 4.350 -0.036 0.000 0.268 139 T C 2.515 177.217 174.700 0.003 0.000 1.044 139 T CA 1.863 63.973 62.100 0.017 0.000 1.139 139 T CB -0.154 68.733 68.868 0.032 0.000 0.867 139 T HN 0.468 nan 8.240 nan 0.000 0.454 140 I N 1.016 121.612 120.570 0.043 0.000 2.286 140 I HA 0.001 4.149 4.170 -0.036 0.000 0.245 140 I C 2.942 179.002 176.117 -0.095 0.000 1.104 140 I CA 1.084 62.419 61.300 0.057 0.000 1.397 140 I CB -0.722 37.406 38.000 0.213 0.000 1.072 140 I HN 0.287 nan 8.210 nan 0.000 0.417 141 G N 0.844 109.482 108.800 -0.271 0.000 2.418 141 G HA2 -0.207 3.731 3.960 -0.036 0.000 0.217 141 G HA3 -0.207 3.731 3.960 -0.036 0.000 0.217 141 G C 1.831 176.454 174.900 -0.462 0.000 1.158 141 G CA 0.378 44.955 45.100 -0.872 0.000 0.771 141 G HN 0.267 nan 8.290 nan 0.000 0.545 142 R N -0.828 119.532 120.500 -0.233 0.000 2.096 142 R HA 0.033 4.351 4.340 -0.036 0.000 0.235 142 R C 2.430 178.663 176.300 -0.112 0.000 1.127 142 R CA 0.747 56.762 56.100 -0.143 0.000 0.968 142 R CB -0.449 29.804 30.300 -0.078 0.000 0.861 142 R HN 0.301 nan 8.270 nan 0.000 0.440 143 L N 0.521 121.687 121.223 -0.095 0.000 2.046 143 L HA -0.138 4.181 4.340 -0.036 0.000 0.208 143 L C 2.114 178.944 176.870 -0.065 0.000 1.077 143 L CA 1.484 56.289 54.840 -0.058 0.000 0.747 143 L CB -0.339 41.696 42.059 -0.039 0.000 0.896 143 L HN -0.072 nan 8.230 nan 0.000 0.432 144 V N -0.451 119.393 119.914 -0.117 0.000 2.358 144 V HA -0.305 3.793 4.120 -0.036 0.000 0.246 144 V C 2.586 178.628 176.094 -0.088 0.000 1.047 144 V CA 1.945 64.188 62.300 -0.095 0.000 1.035 144 V CB -0.576 31.164 31.823 -0.139 0.000 0.658 144 V HN 0.501 nan 8.190 nan 0.000 0.452 145 K N -0.022 120.296 120.400 -0.136 0.000 2.103 145 K HA -0.228 4.071 4.320 -0.036 0.000 0.207 145 K C 2.365 178.937 176.600 -0.046 0.000 1.048 145 K CA 1.743 57.976 56.287 -0.090 0.000 0.930 145 K CB -0.105 32.330 32.500 -0.108 0.000 0.716 145 K HN 0.307 nan 8.250 nan 0.000 0.444 146 R N -0.028 120.448 120.500 -0.040 0.000 2.066 146 R HA 0.045 4.363 4.340 -0.036 0.000 0.224 146 R C 2.087 178.392 176.300 0.008 0.000 1.122 146 R CA 1.027 57.119 56.100 -0.013 0.000 0.974 146 R CB 0.072 30.367 30.300 -0.009 0.000 0.871 146 R HN 0.203 nan 8.270 nan 0.000 0.435 147 L N -0.816 120.418 121.223 0.018 0.000 2.408 147 L HA 0.329 4.647 4.340 -0.036 0.000 0.215 147 L C 0.602 177.499 176.870 0.045 0.000 1.081 147 L CA 0.257 55.128 54.840 0.052 0.000 0.840 147 L CB 0.515 42.629 42.059 0.090 0.000 1.002 147 L HN 0.454 nan 8.230 nan 0.000 0.468 148 G N -0.746 108.068 108.800 0.023 0.000 2.712 148 G HA2 -0.054 3.884 3.960 -0.036 0.000 0.686 148 G HA3 -0.054 3.884 3.960 -0.036 0.000 0.686 148 G C 0.472 175.391 174.900 0.032 0.000 1.181 148 G CA -0.348 44.767 45.100 0.027 0.000 0.762 148 G HN 0.116 nan 8.290 nan 0.000 0.641 149 A N 1.743 124.587 122.820 0.040 0.000 1.908 149 A HA 0.140 4.438 4.320 -0.036 0.000 0.218 149 A C 0.698 178.301 177.584 0.033 0.000 1.181 149 A CA 2.823 54.891 52.037 0.050 0.000 0.627 149 A CB -1.106 17.936 19.000 0.070 0.000 0.818 149 A HN 0.595 nan 8.150 nan 0.000 0.445 150 P HA -0.114 nan 4.420 nan 0.000 0.215 150 P C 1.698 179.024 177.300 0.043 0.000 1.153 150 P CA 1.910 65.030 63.100 0.033 0.000 0.853 150 P CB -0.107 31.616 31.700 0.038 0.000 0.788 151 A N -0.730 122.130 122.820 0.068 0.000 1.969 151 A HA -0.123 4.176 4.320 -0.036 0.000 0.218 151 A C 2.284 179.828 177.584 -0.066 0.000 1.169 151 A CA 1.498 53.608 52.037 0.122 0.000 0.635 151 A CB -1.630 17.504 19.000 0.224 0.000 0.810 151 A HN 0.028 nan 8.150 nan 0.000 0.445 152 V N 0.129 120.002 119.914 -0.068 0.000 2.358 152 V HA -0.266 3.833 4.120 -0.036 0.000 0.246 152 V C 2.610 178.625 176.094 -0.131 0.000 1.047 152 V CA 2.169 64.390 62.300 -0.132 0.000 1.035 152 V CB -0.832 30.967 31.823 -0.039 0.000 0.658 152 V HN 0.537 nan 8.190 nan 0.000 0.452 153 R N -0.133 120.330 120.500 -0.060 0.000 2.073 153 R HA -0.143 4.175 4.340 -0.036 0.000 0.234 153 R C 2.423 178.685 176.300 -0.062 0.000 1.134 153 R CA 1.976 58.051 56.100 -0.041 0.000 0.952 153 R CB -0.876 29.417 30.300 -0.012 0.000 0.850 153 R HN 0.485 nan 8.270 nan 0.000 0.433 154 T N 1.052 115.573 114.554 -0.054 0.000 2.708 154 T HA -0.157 4.171 4.350 -0.036 0.000 0.266 154 T C 1.990 176.601 174.700 -0.148 0.000 1.037 154 T CA 1.497 63.589 62.100 -0.015 0.000 1.146 154 T CB -0.286 68.662 68.868 0.135 0.000 0.865 154 T HN 0.401 nan 8.240 nan 0.000 0.435 155 A N 1.245 123.739 122.820 -0.543 0.000 1.933 155 A HA -0.127 4.171 4.320 -0.036 0.000 0.218 155 A C 2.554 179.947 177.584 -0.319 0.000 1.175 155 A CA 2.050 53.595 52.037 -0.820 0.000 0.628 155 A CB -1.209 16.993 19.000 -1.329 0.000 0.814 155 A HN 0.478 nan 8.150 nan 0.000 0.444 156 T N -0.385 114.041 114.554 -0.213 0.000 2.777 156 T HA -0.117 4.211 4.350 -0.036 0.000 0.266 156 T C 2.037 176.695 174.700 -0.071 0.000 1.040 156 T CA 1.421 63.456 62.100 -0.109 0.000 1.141 156 T CB -0.224 68.611 68.868 -0.055 0.000 0.868 156 T HN 0.509 nan 8.240 nan 0.000 0.444 157 R N 0.808 121.276 120.500 -0.053 0.000 2.096 157 R HA -0.085 4.233 4.340 -0.036 0.000 0.235 157 R C 2.657 178.948 176.300 -0.015 0.000 1.127 157 R CA 1.258 57.345 56.100 -0.022 0.000 0.968 157 R CB -0.266 30.033 30.300 -0.002 0.000 0.861 157 R HN 0.479 nan 8.270 nan 0.000 0.440 158 Q N 0.418 120.213 119.800 -0.008 0.000 2.084 158 Q HA -0.129 4.189 4.340 -0.036 0.000 0.202 158 Q C 2.046 178.049 176.000 0.005 0.000 0.978 158 Q CA 1.562 57.379 55.803 0.023 0.000 0.844 158 Q CB -0.055 28.734 28.738 0.084 0.000 0.898 158 Q HN 0.367 nan 8.270 nan 0.000 0.426 159 A N 0.495 123.301 122.820 -0.024 0.000 1.940 159 A HA -0.207 4.091 4.320 -0.036 0.000 0.219 159 A C 2.015 179.577 177.584 -0.037 0.000 1.176 159 A CA 1.607 53.627 52.037 -0.028 0.000 0.631 159 A CB -0.516 18.448 19.000 -0.060 0.000 0.814 159 A HN 0.468 nan 8.150 nan 0.000 0.446 160 M N -0.401 119.172 119.600 -0.046 0.000 2.117 160 M HA -0.176 4.282 4.480 -0.036 0.000 0.262 160 M C 2.310 178.586 176.300 -0.040 0.000 1.065 160 M CA 1.875 57.144 55.300 -0.051 0.000 1.114 160 M CB -0.332 32.239 32.600 -0.048 0.000 1.361 160 M HN 0.555 nan 8.290 nan 0.000 0.408 161 R N 0.523 121.002 120.500 -0.034 0.000 2.115 161 R HA -0.049 4.269 4.340 -0.036 0.000 0.230 161 R C 1.883 178.121 176.300 -0.103 0.000 1.111 161 R CA 1.127 57.194 56.100 -0.054 0.000 0.976 161 R CB -0.828 29.448 30.300 -0.039 0.000 0.870 161 R HN 0.355 nan 8.270 nan 0.000 0.445 162 L N 0.376 121.570 121.223 -0.049 0.000 2.027 162 L HA -0.075 4.243 4.340 -0.036 0.000 0.206 162 L C 2.639 179.563 176.870 0.090 0.000 1.074 162 L CA 0.983 55.817 54.840 -0.011 0.000 0.745 162 L CB -0.360 41.783 42.059 0.140 0.000 0.898 162 L HN 0.138 nan 8.230 nan 0.000 0.433 163 M N -0.390 119.250 119.600 0.067 0.000 2.159 163 M HA -0.078 4.381 4.480 -0.036 0.000 0.263 163 M C 2.319 178.689 176.300 0.116 0.000 1.063 163 M CA 1.763 57.105 55.300 0.069 0.000 1.110 163 M CB -1.720 30.820 32.600 -0.100 0.000 1.374 163 M HN 0.296 nan 8.290 nan 0.000 0.411 164 G N -0.068 108.746 108.800 0.023 0.000 2.430 164 G HA2 -0.158 3.781 3.960 -0.036 0.000 0.216 164 G HA3 -0.158 3.781 3.960 -0.036 0.000 0.216 164 G C 1.474 176.374 174.900 0.001 0.000 1.146 164 G CA 0.442 45.550 45.100 0.013 0.000 0.793 164 G HN 0.391 nan 8.290 nan 0.000 0.537 165 N N -0.082 118.556 118.700 -0.103 0.000 2.409 165 N HA 0.065 4.783 4.740 -0.036 0.000 0.174 165 N C 1.217 176.675 175.510 -0.086 0.000 1.037 165 N CA 0.596 53.532 53.050 -0.190 0.000 0.898 165 N CB -0.027 38.186 38.487 -0.457 0.000 1.010 165 N HN 0.531 nan 8.380 nan 0.000 0.445 166 H N -2.133 116.991 119.070 0.089 0.000 2.755 166 H HA 0.295 4.829 4.556 -0.036 0.000 0.273 166 H C -0.539 174.641 175.328 -0.248 0.000 1.055 166 H CA -0.248 55.760 56.048 -0.067 0.000 1.191 166 H CB 0.571 30.210 29.762 -0.205 0.000 1.536 166 H HN -0.030 nan 8.280 nan 0.000 0.529 167 F N 0.625 120.634 119.950 0.098 0.000 2.563 167 F HA 0.414 4.919 4.527 -0.036 0.000 0.316 167 F C -0.458 175.317 175.800 -0.041 0.000 1.076 167 F CA -1.294 56.717 58.000 0.018 0.000 0.921 167 F CB 2.090 41.100 39.000 0.016 0.000 1.209 167 F HN -0.291 nan 8.300 nan 0.000 0.462 168 V N 4.954 124.893 119.914 0.041 0.000 2.275 168 V HA 0.402 4.501 4.120 -0.036 0.000 0.272 168 V C -0.783 175.270 176.094 -0.067 0.000 1.028 168 V CA -0.354 61.912 62.300 -0.057 0.000 0.810 168 V CB 0.644 32.347 31.823 -0.199 0.000 1.043 168 V HN 0.406 nan 8.190 nan 0.000 0.453 169 L N 3.545 124.745 121.223 -0.039 0.000 2.341 169 L HA 1.044 5.362 4.340 -0.036 0.000 0.267 169 L C 0.419 177.163 176.870 -0.210 0.000 1.009 169 L CA -0.121 54.654 54.840 -0.108 0.000 0.819 169 L CB 2.046 44.102 42.059 -0.005 0.000 1.323 169 L HN 0.649 nan 8.230 nan 0.000 0.425 170 G N 0.218 108.753 108.800 -0.441 0.000 2.623 170 G HA2 0.399 4.338 3.960 -0.036 0.000 0.290 170 G HA3 0.399 4.338 3.960 -0.036 0.000 0.290 170 G C -0.073 174.404 174.900 -0.704 0.000 1.437 170 G CA -0.384 44.441 45.100 -0.457 0.000 0.798 170 G HN 0.523 nan 8.290 nan 0.000 0.488 171 E N -0.968 119.003 120.200 -0.382 0.000 2.150 171 E HA -0.017 4.311 4.350 -0.036 0.000 0.193 171 E C 1.282 177.773 176.600 -0.182 0.000 0.985 171 E CA 1.598 57.872 56.400 -0.210 0.000 0.814 171 E CB 0.087 29.755 29.700 -0.053 0.000 0.752 171 E HN 0.594 nan 8.360 nan 0.000 0.466 172 T N -2.578 111.879 114.554 -0.161 0.000 2.887 172 T HA 0.267 4.596 4.350 -0.036 0.000 0.292 172 T C 0.780 175.405 174.700 -0.125 0.000 1.087 172 T CA -0.869 61.156 62.100 -0.125 0.000 1.009 172 T CB 1.477 70.296 68.868 -0.083 0.000 1.203 172 T HN -0.144 nan 8.240 nan 0.000 0.518 173 I N 1.037 121.547 120.570 -0.100 0.000 2.286 173 I HA -0.020 4.129 4.170 -0.036 0.000 0.248 173 I C 2.137 178.218 176.117 -0.061 0.000 1.115 173 I CA 1.620 62.870 61.300 -0.083 0.000 1.392 173 I CB -0.802 37.161 38.000 -0.061 0.000 1.065 173 I HN 0.824 nan 8.210 nan 0.000 0.418 174 E N 0.006 120.178 120.200 -0.046 0.000 2.085 174 E HA -0.312 4.016 4.350 -0.036 0.000 0.194 174 E C 2.139 178.718 176.600 -0.035 0.000 0.994 174 E CA 1.716 58.100 56.400 -0.027 0.000 0.801 174 E CB -0.394 29.294 29.700 -0.020 0.000 0.743 174 E HN 0.685 nan 8.360 nan 0.000 0.453 175 Q N 0.052 119.819 119.800 -0.054 0.000 2.079 175 Q HA -0.108 4.211 4.340 -0.036 0.000 0.200 175 Q C 2.109 178.069 176.000 -0.067 0.000 0.974 175 Q CA 1.405 57.175 55.803 -0.054 0.000 0.840 175 Q CB -0.172 28.526 28.738 -0.067 0.000 0.898 175 Q HN 0.285 nan 8.270 nan 0.000 0.430 176 A N 0.970 123.729 122.820 -0.102 0.000 1.883 176 A HA -0.183 4.115 4.320 -0.036 0.000 0.217 176 A C 2.076 179.601 177.584 -0.097 0.000 1.186 176 A CA 1.463 53.429 52.037 -0.118 0.000 0.624 176 A CB -0.867 18.042 19.000 -0.152 0.000 0.822 176 A HN 0.471 nan 8.150 nan 0.000 0.444 177 L N -1.087 120.096 121.223 -0.068 0.000 2.046 177 L HA -0.196 4.122 4.340 -0.036 0.000 0.208 177 L C 2.686 179.558 176.870 0.004 0.000 1.077 177 L CA 1.736 56.563 54.840 -0.020 0.000 0.747 177 L CB -0.460 41.620 42.059 0.035 0.000 0.896 177 L HN 0.456 nan 8.230 nan 0.000 0.432 178 E N 0.509 120.706 120.200 -0.004 0.000 2.077 178 E HA -0.242 4.086 4.350 -0.036 0.000 0.193 178 E C 2.272 178.874 176.600 0.003 0.000 0.989 178 E CA 1.261 57.664 56.400 0.005 0.000 0.800 178 E CB -0.077 29.623 29.700 0.001 0.000 0.746 178 E HN 0.157 nan 8.360 nan 0.000 0.452 179 R N -0.894 119.599 120.500 -0.012 0.000 2.148 179 R HA -0.031 4.287 4.340 -0.036 0.000 0.227 179 R C 1.888 178.185 176.300 -0.005 0.000 1.103 179 R CA 1.279 57.373 56.100 -0.009 0.000 0.983 179 R CB -0.335 29.953 30.300 -0.019 0.000 0.874 179 R HN 0.272 nan 8.270 nan 0.000 0.451 180 G N 0.430 109.218 108.800 -0.020 0.000 2.985 180 G HA2 0.003 3.942 3.960 -0.036 0.000 0.209 180 G HA3 0.003 3.942 3.960 -0.036 0.000 0.209 180 G C 0.008 174.945 174.900 0.061 0.000 1.165 180 G CA -0.313 44.779 45.100 -0.014 0.000 0.776 180 G HN 0.144 nan 8.290 nan 0.000 0.541 181 K N 1.041 121.476 120.400 0.058 0.000 2.319 181 K HA 0.244 4.542 4.320 -0.036 0.000 0.265 181 K C -1.982 174.655 176.600 0.062 0.000 1.000 181 K CA -1.038 55.291 56.287 0.071 0.000 0.943 181 K CB 0.552 33.080 32.500 0.047 0.000 0.950 181 K HN 0.058 nan 8.250 nan 0.000 0.485 182 P HA 0.172 nan 4.420 nan 0.000 0.293 182 P C 0.620 177.933 177.300 0.021 0.000 1.304 182 P CA -0.383 62.738 63.100 0.035 0.000 0.767 182 P CB 0.417 32.126 31.700 0.014 0.000 1.247 183 R N -0.011 120.497 120.500 0.013 0.000 2.126 183 R HA 0.065 4.384 4.340 -0.036 0.000 0.224 183 R C 1.241 177.543 176.300 0.004 0.000 1.128 183 R CA 2.038 58.144 56.100 0.010 0.000 0.895 183 R CB -1.550 28.753 30.300 0.006 0.000 0.817 183 R HN 0.653 nan 8.270 nan 0.000 0.435 184 S N -3.639 112.059 115.700 -0.004 0.000 2.556 184 S HA 0.457 4.906 4.470 -0.036 0.000 0.280 184 S C 0.506 175.096 174.600 -0.016 0.000 1.141 184 S CA 0.635 58.830 58.200 -0.008 0.000 0.883 184 S CB 1.070 64.266 63.200 -0.005 0.000 1.103 184 S HN 2.031 nan 8.310 nan 0.000 0.453 185 G N 2.776 111.563 108.800 -0.021 0.000 2.380 185 G HA2 -0.244 3.694 3.960 -0.036 0.000 0.298 185 G HA3 -0.244 3.694 3.960 -0.036 0.000 0.298 185 G C -0.002 174.876 174.900 -0.037 0.000 0.989 185 G CA 1.198 46.281 45.100 -0.029 0.000 0.836 185 G HN 0.750 nan 8.290 nan 0.000 0.511 186 Q N -1.214 118.565 119.800 -0.035 0.000 2.378 186 Q HA 0.707 5.025 4.340 -0.036 0.000 0.276 186 Q C 0.210 176.179 176.000 -0.052 0.000 1.083 186 Q CA -0.226 55.553 55.803 -0.041 0.000 0.856 186 Q CB 1.489 30.209 28.738 -0.030 0.000 1.383 186 Q HN 0.427 nan 8.270 nan 0.000 0.458 187 K N 0.452 120.815 120.400 -0.063 0.000 2.138 187 K HA 0.431 4.729 4.320 -0.036 0.000 0.263 187 K C -0.290 176.261 176.600 -0.083 0.000 0.965 187 K CA -0.552 55.688 56.287 -0.079 0.000 0.868 187 K CB 1.071 33.521 32.500 -0.084 0.000 1.083 187 K HN 0.548 nan 8.250 nan 0.000 0.443 188 T N 2.586 117.092 114.554 -0.079 0.000 2.888 188 T HA 0.109 4.438 4.350 -0.036 0.000 0.301 188 T C 1.002 175.594 174.700 -0.180 0.000 1.001 188 T CA -0.108 61.956 62.100 -0.060 0.000 1.147 188 T CB 0.337 69.226 68.868 0.035 0.000 0.931 188 T HN 0.543 nan 8.240 nan 0.000 0.541 189 R N 1.619 121.900 120.500 -0.365 0.000 2.319 189 R HA 0.093 4.411 4.340 -0.036 0.000 0.204 189 R C -0.646 175.134 176.300 -0.867 0.000 0.954 189 R CA 0.479 56.185 56.100 -0.657 0.000 1.066 189 R CB 0.100 29.892 30.300 -0.847 0.000 0.991 189 R HN 0.572 nan 8.270 nan 0.000 0.486 190 Y N -1.604 118.665 120.300 -0.050 0.000 2.524 190 Y HA 0.295 4.823 4.550 -0.036 0.000 0.347 190 Y C 0.210 176.093 175.900 -0.028 0.000 1.005 190 Y CA -1.020 57.051 58.100 -0.048 0.000 1.025 190 Y CB 1.687 40.129 38.460 -0.031 0.000 1.275 190 Y HN -0.238 nan 8.280 nan 0.000 0.460 191 S N 1.648 117.345 115.700 -0.005 0.000 2.672 191 S HA 0.567 5.015 4.470 -0.036 0.000 0.276 191 S C -1.172 173.643 174.600 0.358 0.000 1.207 191 S CA -0.559 57.568 58.200 -0.122 0.000 1.002 191 S CB 0.419 63.205 63.200 -0.691 0.000 0.998 191 S HN 0.308 nan 8.310 nan 0.000 0.542 192 F N 1.905 121.915 119.950 0.099 0.000 2.388 192 F HA 0.302 4.807 4.527 -0.036 0.000 0.358 192 F C 0.351 176.315 175.800 0.274 0.000 1.122 192 F CA -2.082 56.016 58.000 0.163 0.000 1.056 192 F CB 0.681 39.742 39.000 0.102 0.000 1.155 192 F HN 0.413 nan 8.300 nan 0.000 0.461 193 D N 4.866 125.499 120.400 0.388 0.000 2.441 193 D HA 0.174 4.793 4.640 -0.036 0.000 0.221 193 D C -0.141 176.210 176.300 0.086 0.000 1.156 193 D CA -0.347 53.766 54.000 0.188 0.000 0.896 193 D CB 0.427 41.291 40.800 0.106 0.000 1.028 193 D HN 0.144 nan 8.370 nan 0.000 0.509 194 M N 3.962 123.651 119.600 0.148 0.000 2.238 194 M HA 0.016 4.475 4.480 -0.036 0.000 0.350 194 M C 1.044 177.360 176.300 0.028 0.000 1.321 194 M CA -0.452 54.921 55.300 0.122 0.000 1.097 194 M CB 0.838 33.638 32.600 0.334 0.000 1.713 194 M HN 0.325 nan 8.290 nan 0.000 0.455 195 L N 2.777 123.956 121.223 -0.073 0.000 2.079 195 L HA -0.045 4.273 4.340 -0.036 0.000 0.210 195 L C 1.621 178.498 176.870 0.013 0.000 1.081 195 L CA 1.269 56.049 54.840 -0.100 0.000 0.752 195 L CB -1.213 40.781 42.059 -0.108 0.000 0.896 195 L HN 0.915 nan 8.230 nan 0.000 0.433 196 G N 0.228 109.002 108.800 -0.042 0.000 2.414 196 G HA2 0.297 4.236 3.960 -0.036 0.000 0.236 196 G HA3 0.297 4.236 3.960 -0.036 0.000 0.236 196 G C -0.175 174.505 174.900 -0.367 0.000 1.293 196 G CA -0.053 44.852 45.100 -0.326 0.000 0.869 196 G HN 0.454 nan 8.290 nan 0.000 0.556 197 E N 0.140 120.101 120.200 -0.398 0.000 2.407 197 E HA 0.499 4.827 4.350 -0.036 0.000 0.279 197 E C 0.116 176.648 176.600 -0.114 0.000 1.012 197 E CA -0.823 55.462 56.400 -0.191 0.000 0.800 197 E CB 0.786 30.500 29.700 0.025 0.000 1.276 197 E HN 1.589 nan 8.360 nan 0.000 0.452 198 G N 0.853 109.642 108.800 -0.018 0.000 2.325 198 G HA2 -0.049 3.890 3.960 -0.036 0.000 0.274 198 G HA3 -0.049 3.890 3.960 -0.036 0.000 0.274 198 G C 0.471 175.449 174.900 0.130 0.000 0.921 198 G CA 0.139 45.286 45.100 0.079 0.000 1.340 198 G HN 1.014 nan 8.290 nan 0.000 0.447 199 A N 0.799 123.720 122.820 0.169 0.000 2.567 199 A HA 0.506 4.805 4.320 -0.036 0.000 0.240 199 A C 1.440 179.109 177.584 0.141 0.000 1.053 199 A CA 0.866 53.053 52.037 0.250 0.000 0.755 199 A CB 0.293 19.443 19.000 0.250 0.000 0.978 199 A HN 0.692 nan 8.150 nan 0.000 0.507 200 R N 0.263 120.825 120.500 0.103 0.000 2.237 200 R HA 0.130 4.449 4.340 -0.036 0.000 0.195 200 R C 0.918 177.215 176.300 -0.004 0.000 0.956 200 R CA 1.325 57.449 56.100 0.041 0.000 1.029 200 R CB 0.133 30.448 30.300 0.023 0.000 0.972 200 R HN 0.909 nan 8.270 nan 0.000 0.493 201 T N -4.964 109.586 114.554 -0.007 0.000 2.901 201 T HA 0.643 4.972 4.350 -0.036 0.000 0.293 201 T C 1.023 175.697 174.700 -0.044 0.000 1.084 201 T CA -0.380 61.691 62.100 -0.049 0.000 1.008 201 T CB 1.977 70.805 68.868 -0.066 0.000 1.170 201 T HN -0.077 nan 8.240 nan 0.000 0.509 202 A N 1.002 123.782 122.820 -0.066 0.000 1.902 202 A HA 0.246 4.544 4.320 -0.036 0.000 0.217 202 A C 2.561 180.115 177.584 -0.051 0.000 1.181 202 A CA 2.002 53.999 52.037 -0.067 0.000 0.623 202 A CB -1.513 17.445 19.000 -0.069 0.000 0.818 202 A HN 1.380 nan 8.150 nan 0.000 0.443 203 A N -0.156 122.630 122.820 -0.057 0.000 1.933 203 A HA -0.178 4.120 4.320 -0.036 0.000 0.218 203 A C 1.782 179.315 177.584 -0.085 0.000 1.175 203 A CA 1.831 53.830 52.037 -0.063 0.000 0.628 203 A CB -0.541 18.420 19.000 -0.066 0.000 0.814 203 A HN 0.471 nan 8.150 nan 0.000 0.444 204 D N 0.202 120.553 120.400 -0.083 0.000 2.104 204 D HA -0.100 4.518 4.640 -0.036 0.000 0.194 204 D C 2.276 178.547 176.300 -0.049 0.000 0.994 204 D CA 1.640 55.557 54.000 -0.139 0.000 0.830 204 D CB -0.468 40.331 40.800 -0.002 0.000 0.959 204 D HN 0.411 nan 8.370 nan 0.000 0.452 205 A N 1.057 123.929 122.820 0.086 0.000 1.940 205 A HA -0.204 4.094 4.320 -0.036 0.000 0.219 205 A C 2.176 179.856 177.584 0.160 0.000 1.176 205 A CA 1.289 53.433 52.037 0.178 0.000 0.631 205 A CB -0.382 18.671 19.000 0.087 0.000 0.814 205 A HN 0.154 nan 8.150 nan 0.000 0.446 206 R N -1.139 119.395 120.500 0.056 0.000 2.073 206 R HA -0.063 4.255 4.340 -0.036 0.000 0.229 206 R C 2.512 178.866 176.300 0.090 0.000 1.120 206 R CA 1.288 57.425 56.100 0.063 0.000 0.967 206 R CB -0.317 29.977 30.300 -0.009 0.000 0.862 206 R HN 0.611 nan 8.270 nan 0.000 0.436 207 R N 0.245 120.718 120.500 -0.045 0.000 2.073 207 R HA -0.178 4.141 4.340 -0.036 0.000 0.234 207 R C 1.763 177.986 176.300 -0.129 0.000 1.134 207 R CA 1.599 57.617 56.100 -0.137 0.000 0.952 207 R CB -0.248 29.867 30.300 -0.307 0.000 0.850 207 R HN 0.167 nan 8.270 nan 0.000 0.433 208 Y N -0.242 120.033 120.300 -0.042 0.000 2.200 208 Y HA -0.188 4.340 4.550 -0.036 0.000 0.290 208 Y C 2.011 177.799 175.900 -0.187 0.000 1.137 208 Y CA 1.388 59.364 58.100 -0.207 0.000 1.163 208 Y CB -0.830 37.531 38.460 -0.164 0.000 0.988 208 Y HN 0.107 nan 8.280 nan 0.000 0.518 209 F N 1.298 121.334 119.950 0.143 0.000 2.065 209 F HA -0.288 4.218 4.527 -0.036 0.000 0.298 209 F C 1.951 177.843 175.800 0.153 0.000 1.112 209 F CA 2.054 60.188 58.000 0.223 0.000 1.212 209 F CB -0.298 38.805 39.000 0.173 0.000 0.975 209 F HN -0.012 nan 8.300 nan 0.000 0.476 210 D N 0.609 121.179 120.400 0.283 0.000 2.117 210 D HA -0.174 4.444 4.640 -0.036 0.000 0.197 210 D C 2.401 178.707 176.300 0.011 0.000 0.987 210 D CA 1.506 55.593 54.000 0.146 0.000 0.829 210 D CB -0.815 40.067 40.800 0.137 0.000 0.961 210 D HN 0.418 nan 8.370 nan 0.000 0.460 211 A N 0.357 123.154 122.820 -0.038 0.000 1.883 211 A HA -0.223 4.075 4.320 -0.036 0.000 0.217 211 A C 2.057 179.637 177.584 -0.007 0.000 1.186 211 A CA 1.207 53.205 52.037 -0.065 0.000 0.624 211 A CB -1.060 17.862 19.000 -0.131 0.000 0.822 211 A HN 0.188 nan 8.150 nan 0.000 0.444 212 Y N -0.045 120.266 120.300 0.019 0.000 2.128 212 Y HA -0.128 4.400 4.550 -0.036 0.000 0.284 212 Y C 2.997 178.865 175.900 -0.053 0.000 1.154 212 Y CA 0.524 58.624 58.100 -0.000 0.000 1.149 212 Y CB -1.143 37.299 38.460 -0.029 0.000 0.976 212 Y HN 0.327 nan 8.280 nan 0.000 0.505 213 A N -0.609 122.195 122.820 -0.027 0.000 1.883 213 A HA -0.215 4.084 4.320 -0.036 0.000 0.217 213 A C 2.507 180.101 177.584 0.017 0.000 1.186 213 A CA 2.250 54.232 52.037 -0.092 0.000 0.624 213 A CB -1.125 17.752 19.000 -0.205 0.000 0.822 213 A HN 0.413 nan 8.150 nan 0.000 0.444 214 S N -0.310 115.411 115.700 0.035 0.000 2.382 214 S HA -0.026 4.422 4.470 -0.036 0.000 0.228 214 S C 2.283 176.939 174.600 0.092 0.000 1.027 214 S CA 1.171 59.404 58.200 0.055 0.000 0.991 214 S CB -0.447 62.778 63.200 0.042 0.000 0.823 214 S HN 0.805 nan 8.310 nan 0.000 0.469 215 A N 1.419 124.325 122.820 0.144 0.000 1.898 215 A HA -0.011 4.288 4.320 -0.036 0.000 0.216 215 A C 2.054 179.710 177.584 0.119 0.000 1.181 215 A CA 1.081 53.262 52.037 0.240 0.000 0.620 215 A CB -0.693 18.535 19.000 0.382 0.000 0.819 215 A HN 0.470 nan 8.150 nan 0.000 0.442 216 I N -0.197 120.432 120.570 0.097 0.000 2.208 216 I HA -0.252 3.896 4.170 -0.036 0.000 0.245 216 I C 2.455 178.584 176.117 0.019 0.000 1.097 216 I CA 1.344 62.677 61.300 0.054 0.000 1.363 216 I CB -0.289 37.769 38.000 0.096 0.000 1.051 216 I HN 0.294 nan 8.210 nan 0.000 0.413 217 E N 0.348 120.577 120.200 0.048 0.000 2.047 217 E HA -0.155 4.173 4.350 -0.036 0.000 0.191 217 E C 2.252 178.796 176.600 -0.092 0.000 0.987 217 E CA 1.632 58.045 56.400 0.020 0.000 0.799 217 E CB -0.682 29.058 29.700 0.067 0.000 0.752 217 E HN 0.432 nan 8.360 nan 0.000 0.449 218 T N 1.949 116.490 114.554 -0.023 0.000 2.652 218 T HA -0.115 4.213 4.350 -0.036 0.000 0.267 218 T C 2.160 176.797 174.700 -0.105 0.000 1.039 218 T CA 1.176 63.271 62.100 -0.009 0.000 1.153 218 T CB -0.322 68.621 68.868 0.125 0.000 0.863 218 T HN 0.096 nan 8.240 nan 0.000 0.428 219 I N 1.077 121.525 120.570 -0.204 0.000 2.208 219 I HA -0.153 3.995 4.170 -0.036 0.000 0.245 219 I C 2.852 178.769 176.117 -0.334 0.000 1.097 219 I CA 1.328 62.406 61.300 -0.370 0.000 1.363 219 I CB -0.776 36.891 38.000 -0.555 0.000 1.051 219 I HN 0.335 nan 8.210 nan 0.000 0.413 220 G N 0.989 109.516 108.800 -0.456 0.000 2.459 220 G HA2 -0.256 3.683 3.960 -0.036 0.000 0.217 220 G HA3 -0.256 3.683 3.960 -0.036 0.000 0.217 220 G C 1.644 176.186 174.900 -0.597 0.000 1.183 220 G CA 0.633 45.213 45.100 -0.866 0.000 0.776 220 G HN 0.338 nan 8.290 nan 0.000 0.552 221 K N 0.668 120.810 120.400 -0.430 0.000 2.442 221 K HA 0.130 4.429 4.320 -0.036 0.000 0.198 221 K C 1.305 177.816 176.600 -0.148 0.000 1.044 221 K CA 0.686 56.845 56.287 -0.214 0.000 0.948 221 K CB 0.082 32.508 32.500 -0.124 0.000 0.762 221 K HN 0.298 nan 8.250 nan 0.000 0.472 222 A N 0.311 123.034 122.820 -0.162 0.000 2.956 222 A HA 0.489 4.787 4.320 -0.036 0.000 0.294 222 A C 0.809 178.312 177.584 -0.133 0.000 0.993 222 A CA -0.268 51.699 52.037 -0.116 0.000 1.032 222 A CB 0.367 19.321 19.000 -0.076 0.000 1.129 222 A HN 0.164 nan 8.150 nan 0.000 0.505 223 A N -0.433 122.300 122.820 -0.144 0.000 2.220 223 A HA 0.550 4.849 4.320 -0.036 0.000 0.211 223 A C 1.414 178.937 177.584 -0.102 0.000 1.176 223 A CA 0.964 52.922 52.037 -0.131 0.000 0.834 223 A CB -0.422 18.501 19.000 -0.128 0.000 0.868 223 A HN 2.242 nan 8.150 nan 0.000 0.488 224 G N -0.329 108.406 108.800 -0.109 0.000 2.760 224 G HA2 -0.249 3.690 3.960 -0.036 0.000 0.246 224 G HA3 -0.249 3.690 3.960 -0.036 0.000 0.246 224 G C 0.010 174.809 174.900 -0.168 0.000 1.359 224 G CA 0.011 45.027 45.100 -0.140 0.000 0.861 224 G HN 0.414 nan 8.290 nan 0.000 0.541 225 N N -0.694 117.826 118.700 -0.300 0.000 2.205 225 N HA 0.148 4.866 4.740 -0.036 0.000 0.201 225 N C 0.502 175.873 175.510 -0.232 0.000 1.128 225 N CA -0.107 52.790 53.050 -0.254 0.000 0.867 225 N CB 0.371 38.708 38.487 -0.251 0.000 0.996 225 N HN 0.648 nan 8.380 nan 0.000 0.503 226 H N 0.488 119.530 119.070 -0.046 0.000 2.603 226 H HA 0.410 4.944 4.556 -0.036 0.000 0.370 226 H C 0.301 175.600 175.328 -0.048 0.000 1.225 226 H CA -0.543 55.476 56.048 -0.049 0.000 1.410 226 H CB 0.780 30.506 29.762 -0.060 0.000 1.495 226 H HN 0.059 nan 8.280 nan 0.000 0.602 227 A N 1.574 124.450 122.820 0.093 0.000 2.271 227 A HA 0.301 4.600 4.320 -0.036 0.000 0.288 227 A C -0.473 177.096 177.584 -0.024 0.000 1.094 227 A CA -0.664 51.386 52.037 0.021 0.000 0.828 227 A CB 0.312 19.315 19.000 0.004 0.000 1.091 227 A HN 0.421 nan 8.150 nan 0.000 0.493 228 L N 0.912 122.101 121.223 -0.057 0.000 2.543 228 L HA 0.135 4.453 4.340 -0.036 0.000 0.285 228 L C -1.154 175.585 176.870 -0.218 0.000 1.236 228 L CA -0.522 54.228 54.840 -0.150 0.000 0.871 228 L CB -0.242 41.720 42.059 -0.162 0.000 1.121 228 L HN 0.540 nan 8.230 nan 0.000 0.501 229 P HA 0.046 nan 4.420 nan 0.000 0.255 229 P C 0.036 177.199 177.300 -0.229 0.000 1.248 229 P CA 0.036 62.871 63.100 -0.442 0.000 0.807 229 P CB 0.209 31.435 31.700 -0.791 0.000 1.150 230 D N 0.810 121.119 120.400 -0.151 0.000 3.038 230 D HA 0.107 4.726 4.640 -0.036 0.000 0.243 230 D C -0.000 176.267 176.300 -0.054 0.000 1.245 230 D CA -0.009 53.928 54.000 -0.105 0.000 0.871 230 D CB -0.235 40.493 40.800 -0.120 0.000 1.089 230 D HN 0.074 nan 8.370 nan 0.000 0.464 231 R N 0.088 120.540 120.500 -0.080 0.000 2.867 231 R HA 0.549 4.867 4.340 -0.036 0.000 0.268 231 R C -2.527 173.712 176.300 -0.103 0.000 1.014 231 R CA -1.833 54.227 56.100 -0.067 0.000 0.946 231 R CB 1.403 31.683 30.300 -0.032 0.000 1.208 231 R HN -0.003 nan 8.270 nan 0.000 0.477 232 P HA 0.231 nan 4.420 nan 0.000 0.274 232 P C -0.600 176.613 177.300 -0.145 0.000 1.246 232 P CA -0.402 62.592 63.100 -0.177 0.000 0.795 232 P CB 0.788 32.348 31.700 -0.234 0.000 1.006 233 G N -0.100 108.591 108.800 -0.181 0.000 2.600 233 G HA2 0.715 4.654 3.960 -0.036 0.000 0.303 233 G HA3 0.715 4.654 3.960 -0.036 0.000 0.303 233 G C -1.673 173.204 174.900 -0.039 0.000 1.253 233 G CA -0.681 44.374 45.100 -0.076 0.000 0.974 233 G HN 0.568 nan 8.290 nan 0.000 0.483 234 I N -0.148 120.447 120.570 0.042 0.000 2.647 234 I HA 0.574 4.722 4.170 -0.036 0.000 0.295 234 I C -0.459 175.634 176.117 -0.039 0.000 1.078 234 I CA -0.615 60.725 61.300 0.068 0.000 1.048 234 I CB 2.219 40.247 38.000 0.046 0.000 1.239 234 I HN 0.411 nan 8.210 nan 0.000 0.421 235 S N 5.075 120.788 115.700 0.021 0.000 2.489 235 S HA 0.687 5.136 4.470 -0.036 0.000 0.291 235 S C -0.820 173.630 174.600 -0.250 0.000 1.151 235 S CA -0.506 57.604 58.200 -0.149 0.000 1.082 235 S CB 1.782 64.922 63.200 -0.100 0.000 1.019 235 S HN 0.382 nan 8.310 nan 0.000 0.492 236 V N 3.622 123.267 119.914 -0.448 0.000 2.789 236 V HA 0.480 4.578 4.120 -0.036 0.000 0.311 236 V C -0.655 175.265 176.094 -0.290 0.000 1.073 236 V CA -0.834 61.112 62.300 -0.591 0.000 0.921 236 V CB 2.297 33.537 31.823 -0.972 0.000 1.009 236 V HN 0.727 nan 8.190 nan 0.000 0.426 237 K N 3.522 123.854 120.400 -0.114 0.000 2.307 237 K HA 0.523 4.821 4.320 -0.036 0.000 0.263 237 K C 0.657 177.182 176.600 -0.124 0.000 0.973 237 K CA -0.588 55.653 56.287 -0.078 0.000 0.846 237 K CB 1.934 34.427 32.500 -0.011 0.000 1.100 237 K HN 0.515 nan 8.250 nan 0.000 0.438 238 L N 1.200 122.271 121.223 -0.254 0.000 2.079 238 L HA -0.250 4.068 4.340 -0.036 0.000 0.210 238 L C 2.292 178.807 176.870 -0.593 0.000 1.081 238 L CA 1.590 56.125 54.840 -0.509 0.000 0.752 238 L CB -0.554 40.950 42.059 -0.925 0.000 0.896 238 L HN 0.701 nan 8.230 nan 0.000 0.433 239 S N -0.001 115.452 115.700 -0.411 0.000 2.447 239 S HA -0.086 4.362 4.470 -0.036 0.000 0.233 239 S C 2.058 176.641 174.600 -0.027 0.000 1.006 239 S CA 0.706 58.840 58.200 -0.109 0.000 0.957 239 S CB -0.237 63.025 63.200 0.103 0.000 0.773 239 S HN 0.354 nan 8.310 nan 0.000 0.507 240 A N 1.255 124.021 122.820 -0.090 0.000 2.066 240 A HA 0.368 4.666 4.320 -0.036 0.000 0.218 240 A C 2.045 179.699 177.584 0.117 0.000 1.157 240 A CA 0.723 52.657 52.037 -0.172 0.000 0.670 240 A CB -0.481 18.273 19.000 -0.409 0.000 0.804 240 A HN 0.566 nan 8.150 nan 0.000 0.453 241 L N -1.330 119.978 121.223 0.141 0.000 2.607 241 L HA 0.207 4.525 4.340 -0.036 0.000 0.228 241 L C 0.559 177.566 176.870 0.229 0.000 1.123 241 L CA 0.044 55.027 54.840 0.238 0.000 0.890 241 L CB 0.142 42.349 42.059 0.247 0.000 1.103 241 L HN 0.443 nan 8.230 nan 0.000 0.468 242 H N -0.353 118.773 119.070 0.093 0.000 2.947 242 H HA 0.222 4.758 4.556 -0.034 0.000 0.354 242 H C -2.343 173.077 175.328 0.152 0.000 1.085 242 H CA -1.243 54.882 56.048 0.128 0.000 1.253 242 H CB 2.951 32.810 29.762 0.161 0.000 1.757 242 H HN -0.268 nan 8.280 nan 0.000 0.523 243 P HA 0.084 nan 4.420 nan 0.000 0.231 243 P C 0.273 177.678 177.300 0.176 0.000 1.168 243 P CA 0.451 63.587 63.100 0.060 0.000 0.779 243 P CB 0.552 32.214 31.700 -0.064 0.000 0.844 244 R N -0.153 120.583 120.500 0.394 0.000 2.738 244 R HA 0.283 4.602 4.340 -0.036 0.000 0.280 244 R C -0.971 175.590 176.300 0.435 0.000 1.456 244 R CA -0.719 55.601 56.100 0.367 0.000 1.612 244 R CB -1.045 29.447 30.300 0.320 0.000 1.286 244 R HN 0.172 nan 8.270 nan 0.000 0.660 245 F N 3.429 123.522 119.950 0.239 0.000 2.509 245 F HA 0.093 4.601 4.527 -0.031 0.000 0.350 245 F C 0.251 176.092 175.800 0.069 0.000 1.220 245 F CA 0.033 58.092 58.000 0.098 0.000 1.151 245 F CB 0.279 39.344 39.000 0.108 0.000 1.379 245 F HN 0.293 nan 8.300 nan 0.000 0.610 246 E N 3.362 123.403 120.200 -0.266 0.000 2.388 246 E HA 0.477 4.806 4.350 -0.036 0.000 0.280 246 E C -0.463 176.031 176.600 -0.176 0.000 1.019 246 E CA -0.692 55.584 56.400 -0.205 0.000 0.806 246 E CB 1.086 30.786 29.700 0.001 0.000 1.246 246 E HN 0.340 nan 8.360 nan 0.000 0.443 247 A N 2.569 125.307 122.820 -0.136 0.000 1.892 247 A HA -0.214 4.084 4.320 -0.036 0.000 0.218 247 A C 2.125 179.679 177.584 -0.049 0.000 1.188 247 A CA 2.233 54.218 52.037 -0.087 0.000 0.631 247 A CB -1.215 17.761 19.000 -0.039 0.000 0.822 247 A HN 0.738 nan 8.150 nan 0.000 0.447 248 I N -3.657 116.915 120.570 0.004 0.000 2.756 248 I HA -0.025 4.123 4.170 -0.036 0.000 0.262 248 I C 1.213 177.312 176.117 -0.030 0.000 1.225 248 I CA 1.697 62.990 61.300 -0.012 0.000 1.472 248 I CB -0.133 37.890 38.000 0.039 0.000 1.094 248 I HN 0.073 nan 8.210 nan 0.000 0.454 249 S N 1.024 116.723 115.700 -0.002 0.000 2.583 249 S HA 0.200 4.648 4.470 -0.036 0.000 0.239 249 S C 1.582 176.169 174.600 -0.021 0.000 0.966 249 S CA -0.391 57.818 58.200 0.014 0.000 0.973 249 S CB -0.265 63.001 63.200 0.110 0.000 0.794 249 S HN 0.472 nan 8.310 nan 0.000 0.463 250 R N 2.148 122.621 120.500 -0.046 0.000 2.103 250 R HA -0.175 4.144 4.340 -0.036 0.000 0.242 250 R C 2.144 178.431 176.300 -0.023 0.000 1.142 250 R CA 1.744 57.814 56.100 -0.049 0.000 0.960 250 R CB -0.490 29.782 30.300 -0.047 0.000 0.858 250 R HN 0.404 nan 8.270 nan 0.000 0.439 251 A N 2.008 124.820 122.820 -0.014 0.000 1.865 251 A HA -0.247 4.052 4.320 -0.036 0.000 0.217 251 A C 2.213 179.808 177.584 0.019 0.000 1.191 251 A CA 1.900 53.938 52.037 0.001 0.000 0.623 251 A CB -0.646 18.353 19.000 -0.003 0.000 0.826 251 A HN 0.654 nan 8.150 nan 0.000 0.444 252 R N -0.753 119.767 120.500 0.034 0.000 2.115 252 R HA 0.016 4.334 4.340 -0.036 0.000 0.226 252 R C 1.659 178.002 176.300 0.072 0.000 1.100 252 R CA 1.382 57.529 56.100 0.079 0.000 0.980 252 R CB -0.910 29.471 30.300 0.134 0.000 0.875 252 R HN 0.207 nan 8.270 nan 0.000 0.445 253 V N 1.659 121.540 119.914 -0.055 0.000 2.287 253 V HA -0.237 3.861 4.120 -0.036 0.000 0.248 253 V C 2.489 178.575 176.094 -0.015 0.000 1.053 253 V CA 1.769 63.946 62.300 -0.205 0.000 1.027 253 V CB -0.381 31.319 31.823 -0.206 0.000 0.646 253 V HN 0.340 nan 8.190 nan 0.000 0.447 254 M N -0.918 118.694 119.600 0.020 0.000 2.279 254 M HA -0.077 4.382 4.480 -0.036 0.000 0.264 254 M C 2.103 178.438 176.300 0.058 0.000 1.062 254 M CA 1.421 56.751 55.300 0.050 0.000 1.099 254 M CB -0.989 31.637 32.600 0.043 0.000 1.394 254 M HN 0.275 nan 8.290 nan 0.000 0.426 255 V N -0.364 119.585 119.914 0.058 0.000 2.725 255 V HA -0.124 3.974 4.120 -0.036 0.000 0.247 255 V C 1.940 178.082 176.094 0.079 0.000 1.058 255 V CA 1.226 63.562 62.300 0.060 0.000 1.080 255 V CB -0.142 31.712 31.823 0.052 0.000 0.713 255 V HN 0.450 nan 8.190 nan 0.000 0.465 256 E N -0.605 119.668 120.200 0.122 0.000 2.206 256 E HA -0.008 4.321 4.350 -0.036 0.000 0.195 256 E C 1.894 178.603 176.600 0.182 0.000 0.935 256 E CA 0.384 56.880 56.400 0.161 0.000 0.875 256 E CB 0.040 29.896 29.700 0.260 0.000 0.841 256 E HN 0.332 nan 8.360 nan 0.000 0.477 257 L N 1.140 122.487 121.223 0.206 0.000 2.095 257 L HA -0.053 4.265 4.340 -0.036 0.000 0.204 257 L C 2.117 179.079 176.870 0.152 0.000 1.080 257 L CA 1.273 56.235 54.840 0.203 0.000 0.759 257 L CB -0.357 41.800 42.059 0.164 0.000 0.914 257 L HN -0.078 nan 8.230 nan 0.000 0.439 258 V N 1.089 121.077 119.914 0.123 0.000 2.282 258 V HA -0.228 3.871 4.120 -0.036 0.000 0.249 258 V C -0.090 176.063 176.094 0.098 0.000 1.057 258 V CA 2.455 64.820 62.300 0.108 0.000 1.032 258 V CB -1.933 29.938 31.823 0.081 0.000 0.645 258 V HN 0.371 nan 8.190 nan 0.000 0.447 259 P HA -0.131 nan 4.420 nan 0.000 0.218 259 P C 1.730 179.088 177.300 0.096 0.000 1.149 259 P CA 1.134 64.271 63.100 0.062 0.000 0.817 259 P CB -0.096 31.624 31.700 0.034 0.000 0.785 260 Q N -0.667 119.207 119.800 0.123 0.000 2.020 260 Q HA -0.132 4.187 4.340 -0.036 0.000 0.202 260 Q C 2.183 178.396 176.000 0.354 0.000 0.982 260 Q CA 1.133 57.068 55.803 0.220 0.000 0.838 260 Q CB -1.391 27.469 28.738 0.202 0.000 0.899 260 Q HN 0.249 nan 8.270 nan 0.000 0.423 261 L N 0.852 122.232 121.223 0.262 0.000 2.131 261 L HA -0.137 4.181 4.340 -0.036 0.000 0.210 261 L C 2.169 179.146 176.870 0.179 0.000 1.092 261 L CA 1.056 56.054 54.840 0.263 0.000 0.759 261 L CB -0.647 41.564 42.059 0.253 0.000 0.903 261 L HN 0.163 nan 8.230 nan 0.000 0.435 262 L N -0.486 120.810 121.223 0.122 0.000 2.017 262 L HA -0.204 4.114 4.340 -0.036 0.000 0.208 262 L C 2.235 179.105 176.870 0.000 0.000 1.073 262 L CA 2.083 56.943 54.840 0.032 0.000 0.745 262 L CB -1.078 40.991 42.059 0.016 0.000 0.894 262 L HN 0.396 nan 8.230 nan 0.000 0.432 263 D N -0.532 119.924 120.400 0.095 0.000 2.104 263 D HA -0.226 4.392 4.640 -0.036 0.000 0.194 263 D C 2.219 178.535 176.300 0.027 0.000 0.994 263 D CA 1.772 55.844 54.000 0.121 0.000 0.830 263 D CB -0.128 40.869 40.800 0.328 0.000 0.959 263 D HN 0.443 nan 8.370 nan 0.000 0.452 264 L N 0.169 121.414 121.223 0.036 0.000 2.046 264 L HA -0.117 4.202 4.340 -0.036 0.000 0.208 264 L C 2.735 179.332 176.870 -0.455 0.000 1.077 264 L CA 1.135 55.896 54.840 -0.132 0.000 0.747 264 L CB -0.511 41.567 42.059 0.032 0.000 0.896 264 L HN 0.017 nan 8.230 nan 0.000 0.432 265 A N -0.336 122.096 122.820 -0.647 0.000 1.902 265 A HA -0.253 4.045 4.320 -0.036 0.000 0.217 265 A C 2.216 179.387 177.584 -0.688 0.000 1.181 265 A CA 1.577 53.069 52.037 -0.908 0.000 0.623 265 A CB -0.461 18.327 19.000 -0.353 0.000 0.818 265 A HN 0.488 nan 8.150 nan 0.000 0.443 266 Q N -0.792 118.750 119.800 -0.431 0.000 2.124 266 Q HA -0.166 4.152 4.340 -0.036 0.000 0.202 266 Q C 2.324 178.075 176.000 -0.415 0.000 0.977 266 Q CA 1.575 57.141 55.803 -0.395 0.000 0.850 266 Q CB -0.173 28.430 28.738 -0.223 0.000 0.901 266 Q HN 0.630 nan 8.270 nan 0.000 0.429 267 R N 0.206 120.511 120.500 -0.324 0.000 2.092 267 R HA -0.074 4.244 4.340 -0.036 0.000 0.231 267 R C 2.252 178.380 176.300 -0.287 0.000 1.119 267 R CA 1.147 57.092 56.100 -0.259 0.000 0.970 267 R CB -0.277 29.934 30.300 -0.148 0.000 0.864 267 R HN 0.205 nan 8.270 nan 0.000 0.440 268 A N 1.397 124.010 122.820 -0.346 0.000 1.898 268 A HA -0.189 4.110 4.320 -0.036 0.000 0.216 268 A C 2.033 179.302 177.584 -0.526 0.000 1.181 268 A CA 1.425 53.310 52.037 -0.253 0.000 0.620 268 A CB -0.355 18.588 19.000 -0.094 0.000 0.819 268 A HN 0.244 nan 8.150 nan 0.000 0.442 269 K N 0.004 119.735 120.400 -1.116 0.000 2.063 269 K HA -0.130 4.168 4.320 -0.036 0.000 0.208 269 K C 2.008 178.180 176.600 -0.712 0.000 1.048 269 K CA 1.450 56.819 56.287 -1.529 0.000 0.928 269 K CB -0.383 31.211 32.500 -1.509 0.000 0.713 269 K HN 0.329 nan 8.250 nan 0.000 0.442 270 A N 0.498 122.994 122.820 -0.540 0.000 2.076 270 A HA -0.155 4.144 4.320 -0.036 0.000 0.220 270 A C 1.277 178.603 177.584 -0.430 0.000 1.160 270 A CA 1.367 53.139 52.037 -0.441 0.000 0.653 270 A CB -0.531 18.192 19.000 -0.461 0.000 0.801 270 A HN 0.443 nan 8.150 nan 0.000 0.455 271 H N -1.593 117.358 119.070 -0.197 0.000 2.549 271 H HA 0.128 4.662 4.556 -0.036 0.000 0.279 271 H C -0.138 175.138 175.328 -0.086 0.000 1.018 271 H CA 0.363 56.338 56.048 -0.123 0.000 1.175 271 H CB 0.142 29.842 29.762 -0.103 0.000 1.485 271 H HN 0.503 nan 8.280 nan 0.000 0.543 272 D N 0.893 121.271 120.400 -0.036 0.000 2.697 272 D HA -0.178 4.441 4.640 -0.036 0.000 0.238 272 D C -0.483 175.951 176.300 0.223 0.000 1.152 272 D CA 0.247 54.305 54.000 0.097 0.000 0.666 272 D CB -1.362 39.497 40.800 0.098 0.000 1.037 272 D HN 0.345 nan 8.370 nan 0.000 0.423 273 L N 0.117 121.497 121.223 0.263 0.000 2.387 273 L HA 0.359 4.677 4.340 -0.036 0.000 0.266 273 L C 1.345 178.462 176.870 0.412 0.000 1.059 273 L CA -0.864 54.127 54.840 0.252 0.000 0.801 273 L CB 0.970 43.130 42.059 0.168 0.000 1.223 273 L HN 0.131 nan 8.230 nan 0.000 0.456 274 N N 0.760 119.582 118.700 0.204 0.000 2.470 274 N HA 0.148 4.866 4.740 -0.036 0.000 0.268 274 N C -1.566 174.098 175.510 0.256 0.000 1.136 274 N CA -0.280 52.863 53.050 0.155 0.000 0.961 274 N CB 0.597 39.095 38.487 0.019 0.000 1.067 274 N HN 0.352 nan 8.380 nan 0.000 0.468 275 F N 3.201 123.213 119.950 0.104 0.000 2.500 275 F HA 0.314 4.819 4.527 -0.037 0.000 0.349 275 F C -0.901 174.798 175.800 -0.168 0.000 1.127 275 F CA -0.393 57.649 58.000 0.070 0.000 0.998 275 F CB 1.284 40.493 39.000 0.347 0.000 1.237 275 F HN 0.212 nan 8.300 nan 0.000 0.439 276 T N 5.678 119.929 114.554 -0.505 0.000 2.786 276 T HA 0.408 4.736 4.350 -0.036 0.000 0.283 276 T C -0.636 173.739 174.700 -0.541 0.000 0.992 276 T CA -0.595 61.245 62.100 -0.433 0.000 0.954 276 T CB 1.484 70.228 68.868 -0.207 0.000 0.934 276 T HN 0.252 nan 8.240 nan 0.000 0.440 277 V N 4.380 124.018 119.914 -0.460 0.000 2.405 277 V HA 0.147 4.245 4.120 -0.036 0.000 0.264 277 V C 0.476 176.452 176.094 -0.197 0.000 1.048 277 V CA -0.727 61.383 62.300 -0.317 0.000 0.966 277 V CB 0.256 31.966 31.823 -0.189 0.000 1.015 277 V HN 0.798 nan 8.190 nan 0.000 0.477 278 D N 3.344 123.644 120.400 -0.167 0.000 2.378 278 D HA 0.395 5.013 4.640 -0.036 0.000 0.238 278 D C 0.341 176.625 176.300 -0.028 0.000 1.180 278 D CA 0.267 54.215 54.000 -0.086 0.000 0.895 278 D CB 1.167 41.941 40.800 -0.044 0.000 1.192 278 D HN 0.718 nan 8.370 nan 0.000 0.438 279 A N 1.544 124.373 122.820 0.016 0.000 2.305 279 A HA 0.456 4.754 4.320 -0.036 0.000 0.322 279 A C 0.323 177.966 177.584 0.098 0.000 1.187 279 A CA -0.497 51.568 52.037 0.048 0.000 0.825 279 A CB 0.923 19.950 19.000 0.044 0.000 1.164 279 A HN 0.520 nan 8.150 nan 0.000 0.498 280 E N 0.903 121.106 120.200 0.005 0.000 3.010 280 E HA 0.323 4.651 4.350 -0.036 0.000 0.199 280 E C -0.748 175.573 176.600 -0.465 0.000 0.698 280 E CA -0.835 55.409 56.400 -0.261 0.000 1.360 280 E CB 0.128 29.755 29.700 -0.122 0.000 1.860 280 E HN 0.733 nan 8.360 nan 0.000 0.376 281 E N 0.458 120.348 120.200 -0.517 0.000 2.408 281 E HA 0.095 4.424 4.350 -0.036 0.000 0.259 281 E C 0.437 176.982 176.600 -0.092 0.000 1.110 281 E CA 0.358 56.562 56.400 -0.327 0.000 0.929 281 E CB 0.555 30.127 29.700 -0.213 0.000 0.971 281 E HN 0.548 nan 8.360 nan 0.000 0.438 282 A N 2.348 125.150 122.820 -0.030 0.000 1.972 282 A HA -0.214 4.084 4.320 -0.036 0.000 0.219 282 A C 1.458 179.121 177.584 0.131 0.000 1.169 282 A CA 1.900 53.940 52.037 0.005 0.000 0.635 282 A CB -0.651 18.291 19.000 -0.098 0.000 0.810 282 A HN 0.727 nan 8.150 nan 0.000 0.446 283 D N -0.895 119.588 120.400 0.139 0.000 2.371 283 D HA -0.088 4.531 4.640 -0.036 0.000 0.221 283 D C 1.505 177.821 176.300 0.027 0.000 0.986 283 D CA 0.653 54.732 54.000 0.132 0.000 0.899 283 D CB -0.370 40.460 40.800 0.051 0.000 0.902 283 D HN 0.494 nan 8.370 nan 0.000 0.530 284 R N -0.713 119.785 120.500 -0.004 0.000 2.397 284 R HA 0.226 4.545 4.340 -0.036 0.000 0.241 284 R C 1.597 177.902 176.300 0.008 0.000 0.914 284 R CA -0.347 55.709 56.100 -0.073 0.000 1.071 284 R CB 0.099 30.383 30.300 -0.026 0.000 1.116 284 R HN 0.059 nan 8.270 nan 0.000 0.524 285 L N 1.886 123.136 121.223 0.046 0.000 1.970 285 L HA -0.193 4.126 4.340 -0.036 0.000 0.212 285 L C 1.713 178.603 176.870 0.033 0.000 1.071 285 L CA 1.987 56.850 54.840 0.038 0.000 0.751 285 L CB -0.310 41.774 42.059 0.041 0.000 0.889 285 L HN 0.123 nan 8.230 nan 0.000 0.432 286 E N -0.835 119.419 120.200 0.090 0.000 2.085 286 E HA -0.264 4.065 4.350 -0.036 0.000 0.194 286 E C 2.147 178.773 176.600 0.042 0.000 0.994 286 E CA 1.460 57.923 56.400 0.106 0.000 0.801 286 E CB -0.372 29.402 29.700 0.124 0.000 0.743 286 E HN 0.415 nan 8.360 nan 0.000 0.453 287 L N 1.228 122.448 121.223 -0.005 0.000 2.046 287 L HA -0.179 4.139 4.340 -0.036 0.000 0.208 287 L C 2.458 179.395 176.870 0.112 0.000 1.077 287 L CA 2.162 56.983 54.840 -0.032 0.000 0.747 287 L CB -0.654 41.246 42.059 -0.266 0.000 0.896 287 L HN 0.088 nan 8.230 nan 0.000 0.432 288 S N -0.898 114.912 115.700 0.183 0.000 2.368 288 S HA -0.207 4.242 4.470 -0.036 0.000 0.225 288 S C 2.073 176.777 174.600 0.175 0.000 1.030 288 S CA 1.566 59.946 58.200 0.299 0.000 0.999 288 S CB -1.043 62.314 63.200 0.262 0.000 0.844 288 S HN 0.498 nan 8.310 nan 0.000 0.459 289 L N 1.373 122.643 121.223 0.080 0.000 2.083 289 L HA -0.096 4.222 4.340 -0.036 0.000 0.209 289 L C 2.472 179.441 176.870 0.165 0.000 1.083 289 L CA 1.454 56.333 54.840 0.065 0.000 0.752 289 L CB -0.737 41.189 42.059 -0.223 0.000 0.899 289 L HN 0.273 nan 8.230 nan 0.000 0.433 290 D N -0.210 120.269 120.400 0.132 0.000 2.097 290 D HA -0.152 4.466 4.640 -0.036 0.000 0.195 290 D C 2.343 178.741 176.300 0.164 0.000 0.989 290 D CA 1.152 55.243 54.000 0.152 0.000 0.827 290 D CB -0.219 40.645 40.800 0.106 0.000 0.966 290 D HN 0.082 nan 8.370 nan 0.000 0.456 291 V N 1.193 121.213 119.914 0.178 0.000 2.295 291 V HA -0.198 3.900 4.120 -0.036 0.000 0.246 291 V C 2.543 178.750 176.094 0.187 0.000 1.049 291 V CA 1.070 63.478 62.300 0.181 0.000 1.024 291 V CB -0.314 31.642 31.823 0.222 0.000 0.648 291 V HN 0.181 nan 8.190 nan 0.000 0.447 292 I N 0.286 120.990 120.570 0.223 0.000 2.226 292 I HA -0.243 3.905 4.170 -0.036 0.000 0.245 292 I C 2.617 178.863 176.117 0.216 0.000 1.100 292 I CA 1.466 62.938 61.300 0.286 0.000 1.374 292 I CB -0.515 37.671 38.000 0.309 0.000 1.057 292 I HN 0.301 nan 8.210 nan 0.000 0.413 293 A N 0.615 123.562 122.820 0.210 0.000 1.898 293 A HA -0.110 4.188 4.320 -0.036 0.000 0.216 293 A C 2.525 180.144 177.584 0.059 0.000 1.181 293 A CA 1.697 53.832 52.037 0.163 0.000 0.620 293 A CB -0.752 18.408 19.000 0.266 0.000 0.819 293 A HN 0.418 nan 8.150 nan 0.000 0.442 294 A N -1.000 121.867 122.820 0.078 0.000 1.930 294 A HA -0.036 4.263 4.320 -0.036 0.000 0.217 294 A C 2.280 179.847 177.584 -0.029 0.000 1.175 294 A CA 2.176 54.232 52.037 0.032 0.000 0.627 294 A CB -1.121 17.916 19.000 0.061 0.000 0.815 294 A HN 0.428 nan 8.150 nan 0.000 0.443 295 T N 0.142 114.690 114.554 -0.010 0.000 2.737 295 T HA -0.129 4.200 4.350 -0.036 0.000 0.265 295 T C 1.820 176.376 174.700 -0.241 0.000 1.038 295 T CA 1.511 63.574 62.100 -0.061 0.000 1.144 295 T CB -0.383 68.515 68.868 0.049 0.000 0.866 295 T HN 0.318 nan 8.240 nan 0.000 0.434 296 L N 1.425 122.435 121.223 -0.354 0.000 2.191 296 L HA 0.125 4.444 4.340 -0.036 0.000 0.212 296 L C 2.453 178.998 176.870 -0.541 0.000 1.103 296 L CA 1.453 55.952 54.840 -0.568 0.000 0.769 296 L CB -0.780 40.995 42.059 -0.473 0.000 0.908 296 L HN 0.224 nan 8.230 nan 0.000 0.438 297 A N -1.465 121.034 122.820 -0.535 0.000 2.067 297 A HA -0.152 4.146 4.320 -0.036 0.000 0.219 297 A C 1.188 178.578 177.584 -0.324 0.000 1.158 297 A CA 0.630 52.259 52.037 -0.679 0.000 0.661 297 A CB -0.792 17.993 19.000 -0.358 0.000 0.801 297 A HN 0.524 nan 8.150 nan 0.000 0.452 298 D N 0.022 120.288 120.400 -0.224 0.000 2.450 298 D HA 0.081 4.699 4.640 -0.036 0.000 0.247 298 D C -1.643 174.589 176.300 -0.114 0.000 1.162 298 D CA -1.343 52.579 54.000 -0.131 0.000 0.879 298 D CB 1.040 41.778 40.800 -0.103 0.000 1.163 298 D HN 0.033 nan 8.370 nan 0.000 0.472 299 P HA -0.158 nan 4.420 nan 0.000 0.220 299 P C 1.346 178.620 177.300 -0.043 0.000 1.144 299 P CA 0.962 64.034 63.100 -0.046 0.000 0.800 299 P CB 0.058 31.741 31.700 -0.028 0.000 0.772 300 S N -1.214 114.454 115.700 -0.055 0.000 2.507 300 S HA -0.064 4.385 4.470 -0.036 0.000 0.235 300 S C 1.539 176.109 174.600 -0.051 0.000 0.988 300 S CA 0.803 58.968 58.200 -0.059 0.000 0.944 300 S CB -1.277 61.879 63.200 -0.074 0.000 0.762 300 S HN 0.151 nan 8.310 nan 0.000 0.526 301 L N 0.059 121.263 121.223 -0.031 0.000 2.607 301 L HA 0.287 4.605 4.340 -0.036 0.000 0.228 301 L C 0.616 177.556 176.870 0.117 0.000 1.123 301 L CA -0.166 54.715 54.840 0.068 0.000 0.890 301 L CB -0.150 41.928 42.059 0.032 0.000 1.103 301 L HN 0.137 nan 8.230 nan 0.000 0.468 302 K N 0.572 120.999 120.400 0.044 0.000 2.380 302 K HA 0.223 4.522 4.320 -0.036 0.000 0.267 302 K C 1.128 177.783 176.600 0.091 0.000 0.990 302 K CA 0.723 57.040 56.287 0.051 0.000 0.946 302 K CB 0.288 32.800 32.500 0.021 0.000 0.937 302 K HN 0.178 nan 8.250 nan 0.000 0.491 303 G N 1.524 110.377 108.800 0.087 0.000 2.176 303 G HA2 -0.230 3.708 3.960 -0.036 0.000 0.252 303 G HA3 -0.230 3.708 3.960 -0.036 0.000 0.252 303 G C -1.094 173.921 174.900 0.191 0.000 1.024 303 G CA 0.338 45.496 45.100 0.096 0.000 0.755 303 G HN 0.646 nan 8.290 nan 0.000 0.507 304 W N 0.469 121.754 121.300 -0.024 0.000 3.259 304 W HA 0.671 5.309 4.660 -0.037 0.000 0.331 304 W C -0.747 175.776 176.519 0.007 0.000 1.144 304 W CA -1.282 56.053 57.345 -0.017 0.000 1.227 304 W CB 1.159 30.605 29.460 -0.025 0.000 1.371 304 W HN -0.056 nan 8.180 nan 0.000 0.491 305 D N 2.692 122.881 120.400 -0.351 0.000 2.402 305 D HA 0.174 4.792 4.640 -0.036 0.000 0.216 305 D C 1.612 177.543 176.300 -0.615 0.000 1.128 305 D CA 0.376 54.134 54.000 -0.403 0.000 0.833 305 D CB 0.616 41.301 40.800 -0.191 0.000 0.971 305 D HN 0.626 nan 8.370 nan 0.000 0.503 306 G N -0.074 107.979 108.800 -1.245 0.000 2.887 306 G HA2 -0.002 3.937 3.960 -0.036 0.000 0.211 306 G HA3 -0.002 3.937 3.960 -0.036 0.000 0.211 306 G C 0.364 174.871 174.900 -0.655 0.000 1.152 306 G CA -0.351 44.321 45.100 -0.713 0.000 0.769 306 G HN 0.144 nan 8.290 nan 0.000 0.541 307 F N 1.744 120.908 119.950 -1.311 0.000 2.459 307 F HA 0.508 5.013 4.527 -0.037 0.000 0.346 307 F C 0.704 176.366 175.800 -0.229 0.000 1.128 307 F CA 0.901 58.551 58.000 -0.584 0.000 1.268 307 F CB 1.081 39.764 39.000 -0.528 0.000 1.161 307 F HN 0.183 nan 8.300 nan 0.000 0.583 308 G N 4.484 112.833 108.800 -0.752 0.000 2.428 308 G HA2 0.522 4.461 3.960 -0.036 0.000 0.304 308 G HA3 0.522 4.461 3.960 -0.036 0.000 0.304 308 G C -2.092 172.519 174.900 -0.481 0.000 1.303 308 G CA -0.413 44.436 45.100 -0.419 0.000 0.825 308 G HN 1.168 nan 8.290 nan 0.000 0.484 309 L N -2.835 118.246 121.223 -0.236 0.000 2.568 309 L HA 0.971 5.289 4.340 -0.036 0.000 0.257 309 L C -0.360 176.438 176.870 -0.120 0.000 1.024 309 L CA -1.213 53.519 54.840 -0.180 0.000 0.854 309 L CB 1.623 43.625 42.059 -0.094 0.000 1.460 309 L HN 1.356 nan 8.230 nan 0.000 0.409 310 A N 1.873 124.633 122.820 -0.101 0.000 2.304 310 A HA 0.855 5.154 4.320 -0.036 0.000 0.301 310 A C -0.586 176.970 177.584 -0.046 0.000 1.132 310 A CA -0.523 51.470 52.037 -0.072 0.000 0.819 310 A CB 0.662 19.623 19.000 -0.066 0.000 1.094 310 A HN 0.650 nan 8.150 nan 0.000 0.492 311 I N 1.162 121.709 120.570 -0.039 0.000 2.466 311 I HA 0.228 4.376 4.170 -0.036 0.000 0.289 311 I C -0.584 175.540 176.117 0.011 0.000 1.026 311 I CA -0.322 60.966 61.300 -0.020 0.000 1.078 311 I CB 2.213 40.192 38.000 -0.036 0.000 1.249 311 I HN 0.701 nan 8.210 nan 0.000 0.429 312 Q N 4.328 124.161 119.800 0.055 0.000 2.349 312 Q HA 0.420 4.739 4.340 -0.036 0.000 0.254 312 Q C 0.823 176.943 176.000 0.200 0.000 0.980 312 Q CA -0.323 55.533 55.803 0.087 0.000 0.924 312 Q CB 1.843 30.656 28.738 0.124 0.000 1.209 312 Q HN 0.839 nan 8.270 nan 0.000 0.445 313 A N 2.996 125.937 122.820 0.202 0.000 2.119 313 A HA -0.168 4.130 4.320 -0.036 0.000 0.217 313 A C 1.300 179.176 177.584 0.487 0.000 1.153 313 A CA 0.776 52.984 52.037 0.284 0.000 0.692 313 A CB -0.388 18.762 19.000 0.249 0.000 0.799 313 A HN 0.862 nan 8.150 nan 0.000 0.458 314 Y N 0.123 120.598 120.300 0.292 0.000 2.616 314 Y HA 0.186 4.715 4.550 -0.036 0.000 0.296 314 Y C 0.464 176.479 175.900 0.192 0.000 1.154 314 Y CA -0.524 57.795 58.100 0.366 0.000 1.325 314 Y CB -1.217 37.440 38.460 0.327 0.000 1.007 314 Y HN 0.388 nan 8.280 nan 0.000 0.542 315 Q N 1.470 121.483 119.800 0.355 0.000 2.243 315 Q HA 0.168 4.487 4.340 -0.036 0.000 0.252 315 Q C 0.628 176.514 176.000 -0.189 0.000 0.909 315 Q CA -0.441 55.326 55.803 -0.060 0.000 0.922 315 Q CB 1.601 30.354 28.738 0.025 0.000 1.215 315 Q HN 0.333 nan 8.270 nan 0.000 0.427 316 K N 1.422 121.532 120.400 -0.484 0.000 2.209 316 K HA -0.140 4.158 4.320 -0.036 0.000 0.204 316 K C 1.377 177.941 176.600 -0.060 0.000 1.048 316 K CA 1.102 57.167 56.287 -0.371 0.000 0.940 316 K CB 0.102 32.366 32.500 -0.393 0.000 0.729 316 K HN 0.370 nan 8.250 nan 0.000 0.451 317 R N 0.439 120.914 120.500 -0.042 0.000 2.323 317 R HA 0.090 4.408 4.340 -0.036 0.000 0.198 317 R C 2.071 178.456 176.300 0.141 0.000 0.988 317 R CA 0.358 56.513 56.100 0.092 0.000 1.041 317 R CB -0.073 30.317 30.300 0.149 0.000 0.926 317 R HN 0.172 nan 8.270 nan 0.000 0.476 318 A N 0.646 123.530 122.820 0.107 0.000 1.892 318 A HA -0.249 4.049 4.320 -0.036 0.000 0.218 318 A C 2.168 179.811 177.584 0.098 0.000 1.188 318 A CA 2.086 54.184 52.037 0.102 0.000 0.631 318 A CB -0.677 18.407 19.000 0.140 0.000 0.822 318 A HN 0.301 nan 8.150 nan 0.000 0.447 319 S N -0.771 115.001 115.700 0.120 0.000 2.382 319 S HA -0.019 4.429 4.470 -0.036 0.000 0.228 319 S C 2.098 176.777 174.600 0.132 0.000 1.027 319 S CA 1.494 59.758 58.200 0.106 0.000 0.991 319 S CB -0.432 62.831 63.200 0.105 0.000 0.823 319 S HN 0.820 nan 8.310 nan 0.000 0.469 320 A N 0.520 123.454 122.820 0.189 0.000 1.968 320 A HA 0.059 4.358 4.320 -0.036 0.000 0.217 320 A C 2.244 180.048 177.584 0.367 0.000 1.169 320 A CA 1.383 53.598 52.037 0.296 0.000 0.638 320 A CB -0.749 18.456 19.000 0.341 0.000 0.812 320 A HN 0.432 nan 8.150 nan 0.000 0.446 321 V N 0.356 120.362 119.914 0.154 0.000 2.343 321 V HA -0.274 3.825 4.120 -0.036 0.000 0.247 321 V C 2.386 178.501 176.094 0.035 0.000 1.051 321 V CA 1.996 64.206 62.300 -0.150 0.000 1.036 321 V CB -0.693 30.977 31.823 -0.255 0.000 0.654 321 V HN 0.578 nan 8.190 nan 0.000 0.451 322 I N 0.076 120.681 120.570 0.059 0.000 2.226 322 I HA -0.225 3.923 4.170 -0.036 0.000 0.245 322 I C 2.314 178.481 176.117 0.084 0.000 1.100 322 I CA 1.549 62.880 61.300 0.052 0.000 1.374 322 I CB -0.522 37.497 38.000 0.031 0.000 1.057 322 I HN 0.319 nan 8.210 nan 0.000 0.413 323 D N 0.188 120.662 120.400 0.124 0.000 2.123 323 D HA -0.254 4.364 4.640 -0.036 0.000 0.196 323 D C 1.927 178.320 176.300 0.154 0.000 0.992 323 D CA 1.499 55.576 54.000 0.129 0.000 0.833 323 D CB -0.436 40.456 40.800 0.153 0.000 0.954 323 D HN 0.387 nan 8.370 nan 0.000 0.455 324 Y N 1.432 121.793 120.300 0.101 0.000 2.200 324 Y HA -0.201 4.327 4.550 -0.036 0.000 0.290 324 Y C 2.226 178.158 175.900 0.053 0.000 1.137 324 Y CA 1.131 59.295 58.100 0.108 0.000 1.163 324 Y CB -0.241 38.306 38.460 0.146 0.000 0.988 324 Y HN -0.212 nan 8.280 nan 0.000 0.518 325 V N 0.457 120.437 119.914 0.111 0.000 2.343 325 V HA -0.280 3.819 4.120 -0.036 0.000 0.247 325 V C 2.019 178.097 176.094 -0.027 0.000 1.051 325 V CA 2.245 64.563 62.300 0.030 0.000 1.036 325 V CB -0.750 31.113 31.823 0.066 0.000 0.654 325 V HN 0.421 nan 8.190 nan 0.000 0.451 326 D N 0.299 120.693 120.400 -0.009 0.000 2.097 326 D HA -0.139 4.479 4.640 -0.036 0.000 0.195 326 D C 2.136 178.407 176.300 -0.048 0.000 0.989 326 D CA 1.524 55.513 54.000 -0.017 0.000 0.827 326 D CB -0.162 40.638 40.800 0.000 0.000 0.966 326 D HN 0.357 nan 8.370 nan 0.000 0.456 327 A N -0.103 122.672 122.820 -0.074 0.000 1.933 327 A HA -0.112 4.186 4.320 -0.036 0.000 0.218 327 A C 2.109 179.595 177.584 -0.164 0.000 1.175 327 A CA 1.026 52.998 52.037 -0.108 0.000 0.628 327 A CB -0.810 18.127 19.000 -0.105 0.000 0.814 327 A HN 0.351 nan 8.150 nan 0.000 0.444 328 L N -0.307 120.782 121.223 -0.222 0.000 2.012 328 L HA -0.127 4.191 4.340 -0.036 0.000 0.210 328 L C 2.866 179.716 176.870 -0.033 0.000 1.073 328 L CA 2.074 56.815 54.840 -0.165 0.000 0.748 328 L CB -0.999 40.949 42.059 -0.185 0.000 0.891 328 L HN 0.390 nan 8.230 nan 0.000 0.431 329 A N -0.750 122.054 122.820 -0.026 0.000 1.877 329 A HA -0.212 4.086 4.320 -0.036 0.000 0.216 329 A C 2.394 179.969 177.584 -0.014 0.000 1.186 329 A CA 1.702 53.742 52.037 0.005 0.000 0.620 329 A CB -0.465 18.537 19.000 0.002 0.000 0.822 329 A HN 0.455 nan 8.150 nan 0.000 0.443 330 R N -0.547 119.926 120.500 -0.045 0.000 2.075 330 R HA -0.025 4.293 4.340 -0.036 0.000 0.232 330 R C 2.451 178.699 176.300 -0.087 0.000 1.126 330 R CA 1.133 57.202 56.100 -0.051 0.000 0.963 330 R CB -0.481 29.789 30.300 -0.050 0.000 0.858 330 R HN 0.495 nan 8.270 nan 0.000 0.435 331 A N 0.918 123.642 122.820 -0.161 0.000 1.972 331 A HA -0.143 4.156 4.320 -0.036 0.000 0.219 331 A C 1.352 178.727 177.584 -0.350 0.000 1.169 331 A CA 1.193 53.059 52.037 -0.285 0.000 0.635 331 A CB -0.355 18.396 19.000 -0.415 0.000 0.810 331 A HN 0.317 nan 8.150 nan 0.000 0.446 332 H N -1.493 117.547 119.070 -0.050 0.000 2.549 332 H HA 0.109 4.643 4.556 -0.037 0.000 0.279 332 H C -0.206 175.099 175.328 -0.038 0.000 1.018 332 H CA 0.363 56.384 56.048 -0.046 0.000 1.175 332 H CB 0.119 29.845 29.762 -0.061 0.000 1.485 332 H HN 0.498 nan 8.280 nan 0.000 0.543 333 D N 1.691 122.111 120.400 0.033 0.000 2.735 333 D HA -0.190 4.429 4.640 -0.036 0.000 0.235 333 D C -0.435 175.879 176.300 0.024 0.000 1.175 333 D CA 0.387 54.397 54.000 0.018 0.000 0.683 333 D CB -0.353 40.453 40.800 0.011 0.000 1.008 333 D HN 0.240 nan 8.370 nan 0.000 0.416 334 R N 1.014 121.528 120.500 0.023 0.000 2.832 334 R HA 0.543 4.861 4.340 -0.036 0.000 0.271 334 R C 0.420 176.713 176.300 -0.012 0.000 0.996 334 R CA -0.802 55.299 56.100 0.001 0.000 0.977 334 R CB 1.070 31.365 30.300 -0.009 0.000 1.168 334 R HN 0.092 nan 8.270 nan 0.000 0.482 335 K N 1.851 122.229 120.400 -0.036 0.000 2.156 335 K HA 0.519 4.818 4.320 -0.036 0.000 0.271 335 K C -0.343 176.216 176.600 -0.069 0.000 0.995 335 K CA -0.432 55.831 56.287 -0.041 0.000 0.890 335 K CB 1.178 33.648 32.500 -0.051 0.000 1.073 335 K HN 0.300 nan 8.250 nan 0.000 0.454 336 L N 3.132 124.338 121.223 -0.029 0.000 2.370 336 L HA 0.528 4.847 4.340 -0.036 0.000 0.266 336 L C -0.502 176.363 176.870 -0.008 0.000 1.002 336 L CA -0.994 53.830 54.840 -0.027 0.000 0.818 336 L CB 1.941 44.018 42.059 0.029 0.000 1.325 336 L HN 0.462 nan 8.230 nan 0.000 0.418 337 M N 2.852 122.429 119.600 -0.038 0.000 2.129 337 M HA 0.462 4.920 4.480 -0.036 0.000 0.348 337 M C -1.084 175.203 176.300 -0.021 0.000 1.116 337 M CA -0.598 54.725 55.300 0.038 0.000 1.022 337 M CB 1.853 34.459 32.600 0.010 0.000 1.599 337 M HN 0.195 nan 8.290 nan 0.000 0.449 338 V N 3.783 123.675 119.914 -0.036 0.000 2.407 338 V HA 0.447 4.545 4.120 -0.036 0.000 0.291 338 V C -0.151 175.851 176.094 -0.154 0.000 1.018 338 V CA -0.784 61.459 62.300 -0.095 0.000 0.842 338 V CB 1.696 33.462 31.823 -0.095 0.000 0.996 338 V HN 0.788 nan 8.190 nan 0.000 0.426 339 R N 4.062 124.489 120.500 -0.123 0.000 2.221 339 R HA 0.512 4.831 4.340 -0.036 0.000 0.327 339 R C -1.181 175.052 176.300 -0.113 0.000 1.033 339 R CA -0.650 55.378 56.100 -0.121 0.000 0.887 339 R CB 1.027 31.284 30.300 -0.071 0.000 1.057 339 R HN 0.586 nan 8.270 nan 0.000 0.455 340 L N 6.700 127.844 121.223 -0.132 0.000 2.282 340 L HA 0.377 4.695 4.340 -0.036 0.000 0.288 340 L C -0.732 176.217 176.870 0.132 0.000 1.033 340 L CA -0.372 54.422 54.840 -0.077 0.000 0.807 340 L CB 1.574 43.514 42.059 -0.198 0.000 1.209 340 L HN 0.492 nan 8.230 nan 0.000 0.423 341 V N 2.056 122.061 119.914 0.152 0.000 3.126 341 V HA 0.618 4.717 4.120 -0.036 0.000 0.314 341 V C 0.702 176.953 176.094 0.261 0.000 1.138 341 V CA -0.678 61.762 62.300 0.234 0.000 1.034 341 V CB 1.828 33.671 31.823 0.034 0.000 1.075 341 V HN 0.766 nan 8.190 nan 0.000 0.442 342 K N 1.371 121.854 120.400 0.139 0.000 1.995 342 K HA 0.538 4.836 4.320 -0.036 0.000 0.207 342 K C 0.753 177.117 176.600 -0.395 0.000 1.041 342 K CA 1.218 57.530 56.287 0.042 0.000 0.942 342 K CB -0.150 32.338 32.500 -0.020 0.000 0.731 342 K HN 1.381 nan 8.250 nan 0.000 0.439 343 G N -0.929 107.533 108.800 -0.563 0.000 2.282 343 G HA2 0.304 4.242 3.960 -0.036 0.000 0.274 343 G HA3 0.304 4.242 3.960 -0.036 0.000 0.274 343 G C -0.627 173.966 174.900 -0.511 0.000 1.718 343 G CA -0.311 44.124 45.100 -1.107 0.000 0.927 343 G HN 0.162 nan 8.290 nan 0.000 0.733 344 A N 0.705 123.395 122.820 -0.217 0.000 2.308 344 A HA 0.546 4.845 4.320 -0.036 0.000 0.217 344 A C 0.572 177.999 177.584 -0.261 0.000 1.216 344 A CA 0.556 52.431 52.037 -0.270 0.000 0.864 344 A CB -0.037 18.669 19.000 -0.490 0.000 0.902 344 A HN 0.895 nan 8.150 nan 0.000 0.499 345 Y N -3.377 117.119 120.300 0.327 0.000 2.716 345 Y HA 0.181 4.711 4.550 -0.033 0.000 0.260 345 Y C 1.087 177.191 175.900 0.340 0.000 1.141 345 Y CA -1.591 56.688 58.100 0.299 0.000 1.168 345 Y CB -0.545 38.056 38.460 0.234 0.000 1.189 345 Y HN 0.519 nan 8.280 nan 0.000 0.549 346 W N 1.912 123.455 121.300 0.403 0.000 2.333 346 W HA -0.226 4.413 4.660 -0.035 0.000 0.316 346 W C 1.639 178.197 176.519 0.066 0.000 1.215 346 W CA 2.411 59.877 57.345 0.201 0.000 1.278 346 W CB -0.024 29.571 29.460 0.226 0.000 1.154 346 W HN 0.091 nan 8.180 nan 0.000 0.486 347 D N -0.783 119.789 120.400 0.287 0.000 2.149 347 D HA -0.183 4.436 4.640 -0.036 0.000 0.198 347 D C 1.979 178.231 176.300 -0.080 0.000 0.990 347 D CA 2.217 56.241 54.000 0.040 0.000 0.839 347 D CB -0.453 40.459 40.800 0.187 0.000 0.948 347 D HN 0.219 nan 8.370 nan 0.000 0.460 348 T N 1.405 115.981 114.554 0.036 0.000 2.777 348 T HA -0.115 4.213 4.350 -0.036 0.000 0.266 348 T C 1.711 176.385 174.700 -0.043 0.000 1.040 348 T CA 0.840 62.964 62.100 0.039 0.000 1.141 348 T CB 0.010 68.973 68.868 0.159 0.000 0.868 348 T HN 0.127 nan 8.240 nan 0.000 0.444 349 E N 0.974 121.113 120.200 -0.101 0.000 2.110 349 E HA -0.059 4.269 4.350 -0.036 0.000 0.193 349 E C 2.285 178.768 176.600 -0.194 0.000 0.988 349 E CA 0.689 56.996 56.400 -0.156 0.000 0.804 349 E CB -0.307 29.240 29.700 -0.254 0.000 0.745 349 E HN 0.399 nan 8.360 nan 0.000 0.458 350 I N 1.317 121.634 120.570 -0.421 0.000 2.142 350 I HA -0.227 3.921 4.170 -0.036 0.000 0.240 350 I C 2.460 178.508 176.117 -0.115 0.000 1.078 350 I CA 1.155 62.211 61.300 -0.407 0.000 1.343 350 I CB -1.040 36.468 38.000 -0.820 0.000 1.046 350 I HN 0.104 nan 8.210 nan 0.000 0.405 351 K N 0.967 121.286 120.400 -0.134 0.000 2.026 351 K HA -0.173 4.125 4.320 -0.036 0.000 0.208 351 K C 2.350 178.928 176.600 -0.037 0.000 1.048 351 K CA 1.396 57.645 56.287 -0.063 0.000 0.929 351 K CB -0.003 32.469 32.500 -0.046 0.000 0.713 351 K HN 0.146 nan 8.250 nan 0.000 0.439 352 R N -0.143 120.336 120.500 -0.035 0.000 2.083 352 R HA -0.119 4.199 4.340 -0.036 0.000 0.237 352 R C 2.395 178.671 176.300 -0.040 0.000 1.137 352 R CA 1.422 57.502 56.100 -0.033 0.000 0.951 352 R CB -0.380 29.907 30.300 -0.022 0.000 0.851 352 R HN 0.272 nan 8.270 nan 0.000 0.434 353 A N 0.958 123.769 122.820 -0.015 0.000 1.933 353 A HA -0.206 4.093 4.320 -0.036 0.000 0.218 353 A C 2.027 179.542 177.584 -0.115 0.000 1.175 353 A CA 1.198 53.197 52.037 -0.063 0.000 0.628 353 A CB -0.315 18.645 19.000 -0.068 0.000 0.814 353 A HN 0.348 nan 8.150 nan 0.000 0.444 354 Q N -0.515 119.254 119.800 -0.051 0.000 2.046 354 Q HA -0.192 4.127 4.340 -0.036 0.000 0.200 354 Q C 1.997 177.940 176.000 -0.095 0.000 0.975 354 Q CA 1.615 57.367 55.803 -0.084 0.000 0.836 354 Q CB -0.233 28.479 28.738 -0.043 0.000 0.896 354 Q HN 0.763 nan 8.270 nan 0.000 0.428 355 E N 0.622 120.781 120.200 -0.069 0.000 2.118 355 E HA -0.179 4.150 4.350 -0.036 0.000 0.195 355 E C 1.761 178.312 176.600 -0.081 0.000 0.992 355 E CA 0.887 57.249 56.400 -0.064 0.000 0.804 355 E CB -0.010 29.657 29.700 -0.054 0.000 0.741 355 E HN 0.198 nan 8.360 nan 0.000 0.458 356 R N -0.348 120.093 120.500 -0.098 0.000 2.310 356 R HA 0.085 4.403 4.340 -0.036 0.000 0.202 356 R C 0.776 177.009 176.300 -0.111 0.000 0.933 356 R CA 0.397 56.426 56.100 -0.118 0.000 1.054 356 R CB 0.416 30.635 30.300 -0.136 0.000 0.985 356 R HN 0.164 nan 8.270 nan 0.000 0.489 357 G N 2.016 110.750 108.800 -0.111 0.000 2.366 357 G HA2 -0.277 3.661 3.960 -0.036 0.000 0.299 357 G HA3 -0.277 3.661 3.960 -0.036 0.000 0.299 357 G C 0.084 174.912 174.900 -0.120 0.000 1.020 357 G CA 0.070 45.104 45.100 -0.110 0.000 1.026 357 G HN 0.180 nan 8.290 nan 0.000 0.512 358 L N -0.536 120.595 121.223 -0.153 0.000 2.475 358 L HA 0.285 4.604 4.340 -0.036 0.000 0.253 358 L C 1.656 178.426 176.870 -0.166 0.000 1.198 358 L CA -0.031 54.718 54.840 -0.150 0.000 0.814 358 L CB 0.367 42.337 42.059 -0.149 0.000 1.134 358 L HN 0.386 nan 8.230 nan 0.000 0.478 359 D N -0.928 119.399 120.400 -0.123 0.000 2.349 359 D HA 0.202 4.820 4.640 -0.036 0.000 0.224 359 D C 0.435 176.649 176.300 -0.143 0.000 1.029 359 D CA 0.384 54.319 54.000 -0.108 0.000 0.879 359 D CB 0.445 41.210 40.800 -0.059 0.000 0.906 359 D HN 0.619 nan 8.370 nan 0.000 0.528 360 G N -1.559 107.103 108.800 -0.229 0.000 2.315 360 G HA2 0.332 4.270 3.960 -0.036 0.000 0.294 360 G HA3 0.332 4.270 3.960 -0.036 0.000 0.294 360 G C -1.954 172.705 174.900 -0.402 0.000 1.300 360 G CA -1.180 43.733 45.100 -0.311 0.000 0.843 360 G HN 0.047 nan 8.290 nan 0.000 0.527 361 Y N 0.641 120.909 120.300 -0.053 0.000 2.342 361 Y HA 0.460 4.989 4.550 -0.034 0.000 0.334 361 Y C -1.187 174.604 175.900 -0.181 0.000 1.067 361 Y CA -1.865 56.166 58.100 -0.114 0.000 1.128 361 Y CB 2.520 40.891 38.460 -0.149 0.000 1.200 361 Y HN 0.319 nan 8.280 nan 0.000 0.464 362 P HA -0.054 nan 4.420 nan 0.000 0.236 362 P C -0.081 176.987 177.300 -0.388 0.000 1.177 362 P CA 0.736 63.609 63.100 -0.379 0.000 0.773 362 P CB 0.279 31.582 31.700 -0.661 0.000 0.878 363 V N -3.989 115.728 119.914 -0.329 0.000 2.881 363 V HA 0.522 4.621 4.120 -0.036 0.000 0.316 363 V C 0.129 176.095 176.094 -0.214 0.000 1.070 363 V CA -1.548 60.519 62.300 -0.388 0.000 0.976 363 V CB 0.630 32.156 31.823 -0.494 0.000 1.038 363 V HN -0.271 nan 8.190 nan 0.000 0.446 364 F N 1.625 121.643 119.950 0.113 0.000 2.490 364 F HA 0.410 4.917 4.527 -0.034 0.000 0.336 364 F C 1.861 177.845 175.800 0.308 0.000 1.178 364 F CA 0.515 58.620 58.000 0.175 0.000 1.301 364 F CB 0.718 39.814 39.000 0.161 0.000 1.175 364 F HN 0.786 nan 8.300 nan 0.000 0.593 365 T N -2.280 112.545 114.554 0.453 0.000 3.010 365 T HA 0.299 4.628 4.350 -0.036 0.000 0.257 365 T C 0.554 175.479 174.700 0.375 0.000 1.020 365 T CA -0.356 62.021 62.100 0.462 0.000 0.938 365 T CB 0.031 69.040 68.868 0.234 0.000 1.049 365 T HN 0.388 nan 8.240 nan 0.000 0.522 366 R N 1.267 121.930 120.500 0.273 0.000 2.393 366 R HA 0.439 4.757 4.340 -0.036 0.000 0.310 366 R C 0.971 177.299 176.300 0.048 0.000 0.968 366 R CA -0.834 55.354 56.100 0.147 0.000 0.867 366 R CB 1.367 31.718 30.300 0.084 0.000 1.124 366 R HN -0.104 nan 8.270 nan 0.000 0.450 367 K N 2.573 122.950 120.400 -0.039 0.000 2.103 367 K HA -0.150 4.148 4.320 -0.036 0.000 0.207 367 K C 1.501 178.071 176.600 -0.050 0.000 1.048 367 K CA 1.899 58.135 56.287 -0.085 0.000 0.930 367 K CB -0.051 32.376 32.500 -0.122 0.000 0.716 367 K HN 0.718 nan 8.250 nan 0.000 0.444 368 A N 0.897 123.688 122.820 -0.048 0.000 2.019 368 A HA -0.140 4.159 4.320 -0.036 0.000 0.219 368 A C 2.115 179.639 177.584 -0.100 0.000 1.164 368 A CA 1.285 53.286 52.037 -0.060 0.000 0.644 368 A CB -0.299 18.671 19.000 -0.050 0.000 0.805 368 A HN 0.238 nan 8.150 nan 0.000 0.449 369 M N -0.763 118.757 119.600 -0.133 0.000 2.200 369 M HA -0.073 4.385 4.480 -0.036 0.000 0.265 369 M C 2.142 178.174 176.300 -0.447 0.000 1.066 369 M CA 1.739 56.833 55.300 -0.344 0.000 1.127 369 M CB -1.722 30.646 32.600 -0.388 0.000 1.379 369 M HN 0.409 nan 8.290 nan 0.000 0.420 370 T N 0.703 115.183 114.554 -0.124 0.000 2.746 370 T HA -0.132 4.196 4.350 -0.036 0.000 0.267 370 T C 1.364 176.096 174.700 0.053 0.000 1.039 370 T CA 1.400 63.555 62.100 0.091 0.000 1.142 370 T CB -0.180 68.824 68.868 0.226 0.000 0.866 370 T HN 0.269 nan 8.240 nan 0.000 0.444 371 D N 0.963 121.354 120.400 -0.014 0.000 2.117 371 D HA 0.001 4.620 4.640 -0.036 0.000 0.197 371 D C 2.156 178.457 176.300 0.000 0.000 0.987 371 D CA 0.657 54.646 54.000 -0.019 0.000 0.829 371 D CB -0.363 40.402 40.800 -0.058 0.000 0.961 371 D HN 0.293 nan 8.370 nan 0.000 0.460 372 L N 0.424 121.610 121.223 -0.062 0.000 2.017 372 L HA -0.204 4.114 4.340 -0.036 0.000 0.208 372 L C 2.172 179.018 176.870 -0.039 0.000 1.073 372 L CA 1.062 55.861 54.840 -0.068 0.000 0.745 372 L CB -0.342 41.641 42.059 -0.127 0.000 0.894 372 L HN 0.022 nan 8.230 nan 0.000 0.432 373 N N -0.802 117.852 118.700 -0.077 0.000 2.244 373 N HA -0.246 4.473 4.740 -0.036 0.000 0.183 373 N C 1.750 177.327 175.510 0.111 0.000 1.016 373 N CA 1.044 54.107 53.050 0.022 0.000 0.866 373 N CB -0.185 38.360 38.487 0.098 0.000 0.980 373 N HN 0.301 nan 8.380 nan 0.000 0.430 374 Y N 0.020 120.335 120.300 0.024 0.000 2.145 374 Y HA -0.158 4.370 4.550 -0.036 0.000 0.286 374 Y C 2.087 177.982 175.900 -0.009 0.000 1.145 374 Y CA 1.402 59.522 58.100 0.033 0.000 1.148 374 Y CB -0.251 38.220 38.460 0.018 0.000 0.981 374 Y HN -0.098 nan 8.280 nan 0.000 0.507 375 V N 0.233 120.259 119.914 0.187 0.000 2.358 375 V HA -0.322 3.777 4.120 -0.036 0.000 0.246 375 V C 2.607 178.681 176.094 -0.033 0.000 1.047 375 V CA 1.677 64.008 62.300 0.051 0.000 1.035 375 V CB -1.415 30.420 31.823 0.019 0.000 0.658 375 V HN 0.578 nan 8.190 nan 0.000 0.452 376 A N -1.051 121.762 122.820 -0.011 0.000 1.908 376 A HA -0.274 4.024 4.320 -0.036 0.000 0.218 376 A C 2.334 179.901 177.584 -0.027 0.000 1.181 376 A CA 2.316 54.344 52.037 -0.015 0.000 0.627 376 A CB -1.118 17.886 19.000 0.007 0.000 0.818 376 A HN 0.595 nan 8.150 nan 0.000 0.445 377 C N -1.191 118.085 119.300 -0.041 0.000 2.435 377 C HA 0.146 4.585 4.460 -0.036 0.000 0.279 377 C C 3.292 178.237 174.990 -0.075 0.000 1.321 377 C CA 0.535 59.519 59.018 -0.058 0.000 1.752 377 C CB -1.290 26.401 27.740 -0.081 0.000 1.959 377 C HN 0.704 nan 8.230 nan 0.000 0.500 378 A N -0.092 122.647 122.820 -0.135 0.000 1.902 378 A HA -0.177 4.121 4.320 -0.036 0.000 0.217 378 A C 2.327 179.855 177.584 -0.093 0.000 1.181 378 A CA 2.140 54.120 52.037 -0.096 0.000 0.623 378 A CB -0.999 17.744 19.000 -0.429 0.000 0.818 378 A HN 0.506 nan 8.150 nan 0.000 0.443 379 S N -0.541 115.090 115.700 -0.115 0.000 2.370 379 S HA -0.232 4.216 4.470 -0.036 0.000 0.226 379 S C 2.119 176.687 174.600 -0.053 0.000 1.033 379 S CA 2.039 60.183 58.200 -0.094 0.000 1.011 379 S CB -0.329 62.828 63.200 -0.072 0.000 0.852 379 S HN 0.591 nan 8.310 nan 0.000 0.457 380 K N 0.213 120.594 120.400 -0.032 0.000 2.032 380 K HA -0.041 4.258 4.320 -0.036 0.000 0.209 380 K C 2.163 178.754 176.600 -0.015 0.000 1.048 380 K CA 1.649 57.927 56.287 -0.015 0.000 0.927 380 K CB -0.308 32.190 32.500 -0.003 0.000 0.712 380 K HN 0.394 nan 8.250 nan 0.000 0.441 381 L N 0.806 122.024 121.223 -0.009 0.000 2.083 381 L HA -0.186 4.132 4.340 -0.036 0.000 0.209 381 L C 2.311 179.165 176.870 -0.026 0.000 1.083 381 L CA 0.901 55.729 54.840 -0.020 0.000 0.752 381 L CB -0.290 41.747 42.059 -0.036 0.000 0.899 381 L HN 0.236 nan 8.230 nan 0.000 0.433 382 L N -0.445 120.770 121.223 -0.015 0.000 2.083 382 L HA -0.192 4.126 4.340 -0.036 0.000 0.209 382 L C 2.578 179.421 176.870 -0.045 0.000 1.083 382 L CA 1.106 55.910 54.840 -0.060 0.000 0.752 382 L CB -0.589 41.389 42.059 -0.136 0.000 0.899 382 L HN 0.245 nan 8.230 nan 0.000 0.433 383 A N -0.796 122.004 122.820 -0.034 0.000 2.235 383 A HA 0.071 4.370 4.320 -0.036 0.000 0.208 383 A C 1.954 179.531 177.584 -0.011 0.000 1.172 383 A CA 0.561 52.586 52.037 -0.021 0.000 0.786 383 A CB -0.311 18.678 19.000 -0.018 0.000 0.804 383 A HN 0.406 nan 8.150 nan 0.000 0.479 384 L N -0.729 120.486 121.223 -0.014 0.000 2.607 384 L HA 0.141 4.460 4.340 -0.036 0.000 0.228 384 L C 0.684 177.553 176.870 -0.002 0.000 1.123 384 L CA -0.296 54.539 54.840 -0.008 0.000 0.890 384 L CB -0.088 41.964 42.059 -0.012 0.000 1.103 384 L HN 0.257 nan 8.230 nan 0.000 0.468 385 R N 1.086 121.586 120.500 -0.001 0.000 2.679 385 R HA 0.028 4.347 4.340 -0.036 0.000 0.268 385 R C -1.383 174.933 176.300 0.025 0.000 1.044 385 R CA -0.889 55.224 56.100 0.021 0.000 1.105 385 R CB 0.133 30.450 30.300 0.028 0.000 0.989 385 R HN -0.088 nan 8.270 nan 0.000 0.447 386 P HA 0.073 nan 4.420 nan 0.000 0.257 386 P C 0.723 178.057 177.300 0.056 0.000 1.241 386 P CA 0.258 63.393 63.100 0.059 0.000 0.816 386 P CB 0.222 31.955 31.700 0.054 0.000 1.150 387 R N 0.221 120.741 120.500 0.033 0.000 2.073 387 R HA -0.039 4.280 4.340 -0.036 0.000 0.234 387 R C 0.465 176.785 176.300 0.032 0.000 1.134 387 R CA 1.092 57.207 56.100 0.024 0.000 0.952 387 R CB -0.195 30.111 30.300 0.010 0.000 0.850 387 R HN 0.031 nan 8.270 nan 0.000 0.433 388 I N 1.540 122.128 120.570 0.030 0.000 2.331 388 I HA 0.106 4.254 4.170 -0.036 0.000 0.292 388 I C -0.599 175.555 176.117 0.063 0.000 0.998 388 I CA -0.573 60.744 61.300 0.028 0.000 1.267 388 I CB 0.939 38.932 38.000 -0.012 0.000 1.386 388 I HN 0.032 nan 8.210 nan 0.000 0.476 389 F N 9.461 129.366 119.950 -0.076 0.000 2.313 389 F HA 0.503 5.008 4.527 -0.037 0.000 0.369 389 F C -2.307 173.408 175.800 -0.143 0.000 1.109 389 F CA -2.351 55.602 58.000 -0.079 0.000 1.132 389 F CB 0.950 39.902 39.000 -0.079 0.000 1.291 389 F HN 0.259 nan 8.300 nan 0.000 0.496 390 P HA 0.203 nan 4.420 nan 0.000 0.279 390 P C -1.686 175.088 177.300 -0.875 0.000 1.239 390 P CA -0.239 62.448 63.100 -0.688 0.000 0.789 390 P CB 0.852 32.074 31.700 -0.796 0.000 0.933 391 Q N 1.808 121.159 119.800 -0.749 0.000 2.320 391 Q HA 0.435 4.754 4.340 -0.036 0.000 0.268 391 Q C -1.243 174.482 176.000 -0.459 0.000 1.023 391 Q CA -0.320 55.207 55.803 -0.460 0.000 0.744 391 Q CB 1.088 29.768 28.738 -0.095 0.000 1.246 391 Q HN 0.347 nan 8.270 nan 0.000 0.462 392 F N 1.602 121.562 119.950 0.017 0.000 2.335 392 F HA 0.471 4.976 4.527 -0.036 0.000 0.365 392 F C 0.480 176.458 175.800 0.295 0.000 1.122 392 F CA -0.874 57.231 58.000 0.175 0.000 1.151 392 F CB 0.911 40.026 39.000 0.192 0.000 1.282 392 F HN 0.493 nan 8.300 nan 0.000 0.513 393 A N 2.927 125.946 122.820 0.331 0.000 2.310 393 A HA 0.637 4.935 4.320 -0.036 0.000 0.300 393 A C 0.219 177.852 177.584 0.083 0.000 1.269 393 A CA -0.100 52.042 52.037 0.175 0.000 0.909 393 A CB 0.415 19.451 19.000 0.061 0.000 1.144 393 A HN 0.668 nan 8.150 nan 0.000 0.540 394 T N 1.352 115.882 114.554 -0.040 0.000 2.977 394 T HA 0.424 4.753 4.350 -0.036 0.000 0.345 394 T C -0.570 173.950 174.700 -0.299 0.000 1.562 394 T CA -0.489 61.465 62.100 -0.243 0.000 1.090 394 T CB 0.604 69.328 68.868 -0.239 0.000 1.383 394 T HN 0.677 nan 8.240 nan 0.000 0.484 395 H N 1.793 120.833 119.070 -0.050 0.000 2.528 395 H HA 0.394 4.929 4.556 -0.036 0.000 0.282 395 H C 0.514 175.640 175.328 -0.337 0.000 1.097 395 H CA -0.571 55.427 56.048 -0.084 0.000 1.121 395 H CB 0.373 30.144 29.762 0.016 0.000 1.590 395 H HN 0.294 nan 8.280 nan 0.000 0.553 396 N N 1.380 119.782 118.700 -0.497 0.000 2.414 396 N HA 0.125 4.844 4.740 -0.036 0.000 0.256 396 N C 0.979 175.845 175.510 -1.074 0.000 1.029 396 N CA 0.102 52.463 53.050 -1.148 0.000 0.948 396 N CB 1.330 39.362 38.487 -0.757 0.000 1.102 396 N HN 0.319 nan 8.380 nan 0.000 0.496 397 A N 4.112 126.107 122.820 -1.376 0.000 1.933 397 A HA -0.162 4.137 4.320 -0.036 0.000 0.218 397 A C 1.870 179.193 177.584 -0.435 0.000 1.175 397 A CA 0.968 52.637 52.037 -0.614 0.000 0.628 397 A CB -0.406 18.477 19.000 -0.196 0.000 0.814 397 A HN 0.660 nan 8.150 nan 0.000 0.444 398 L N -0.285 120.687 121.223 -0.417 0.000 2.056 398 L HA -0.076 4.243 4.340 -0.036 0.000 0.207 398 L C 2.440 179.162 176.870 -0.246 0.000 1.078 398 L CA 2.753 57.451 54.840 -0.237 0.000 0.749 398 L CB -1.052 40.925 42.059 -0.136 0.000 0.901 398 L HN 0.363 nan 8.230 nan 0.000 0.433 399 T N -1.055 113.303 114.554 -0.327 0.000 2.708 399 T HA -0.171 4.157 4.350 -0.036 0.000 0.266 399 T C 1.982 176.564 174.700 -0.198 0.000 1.037 399 T CA 1.702 63.642 62.100 -0.267 0.000 1.146 399 T CB -0.494 68.136 68.868 -0.396 0.000 0.865 399 T HN 0.194 nan 8.240 nan 0.000 0.435 400 V N 1.843 121.581 119.914 -0.293 0.000 2.255 400 V HA -0.203 3.896 4.120 -0.036 0.000 0.247 400 V C 2.940 178.897 176.094 -0.228 0.000 1.051 400 V CA 1.835 63.931 62.300 -0.339 0.000 1.018 400 V CB -1.281 30.139 31.823 -0.672 0.000 0.641 400 V HN 0.552 nan 8.190 nan 0.000 0.445 401 A N -0.555 122.127 122.820 -0.230 0.000 1.940 401 A HA -0.232 4.066 4.320 -0.036 0.000 0.219 401 A C 2.364 179.890 177.584 -0.096 0.000 1.176 401 A CA 2.555 54.504 52.037 -0.147 0.000 0.631 401 A CB -0.863 18.058 19.000 -0.132 0.000 0.814 401 A HN 0.537 nan 8.150 nan 0.000 0.446 402 T N -0.760 113.732 114.554 -0.103 0.000 2.896 402 T HA -0.045 4.284 4.350 -0.036 0.000 0.263 402 T C 1.856 176.492 174.700 -0.106 0.000 1.050 402 T CA 1.326 63.372 62.100 -0.090 0.000 1.140 402 T CB -0.254 68.561 68.868 -0.088 0.000 0.877 402 T HN 0.153 nan 8.240 nan 0.000 0.457 403 V N 1.643 121.491 119.914 -0.110 0.000 2.427 403 V HA -0.082 4.017 4.120 -0.036 0.000 0.248 403 V C 2.376 178.361 176.094 -0.182 0.000 1.051 403 V CA 1.084 63.241 62.300 -0.237 0.000 1.048 403 V CB -0.617 30.989 31.823 -0.362 0.000 0.666 403 V HN 0.307 nan 8.190 nan 0.000 0.456 404 L N 0.758 122.005 121.223 0.040 0.000 2.012 404 L HA -0.181 4.137 4.340 -0.036 0.000 0.210 404 L C 2.490 179.343 176.870 -0.030 0.000 1.073 404 L CA 2.508 57.399 54.840 0.084 0.000 0.748 404 L CB -0.773 41.324 42.059 0.064 0.000 0.891 404 L HN 0.450 nan 8.230 nan 0.000 0.431 405 E N -0.482 119.686 120.200 -0.053 0.000 2.085 405 E HA -0.261 4.067 4.350 -0.036 0.000 0.194 405 E C 2.051 178.609 176.600 -0.071 0.000 0.994 405 E CA 2.046 58.416 56.400 -0.049 0.000 0.801 405 E CB -0.347 29.325 29.700 -0.047 0.000 0.743 405 E HN 0.562 nan 8.360 nan 0.000 0.453 406 M N -0.368 119.162 119.600 -0.116 0.000 2.319 406 M HA 0.009 4.468 4.480 -0.036 0.000 0.265 406 M C 2.217 178.423 176.300 -0.157 0.000 1.068 406 M CA 1.150 56.369 55.300 -0.135 0.000 1.118 406 M CB -0.135 32.363 32.600 -0.170 0.000 1.395 406 M HN 0.253 nan 8.290 nan 0.000 0.435 407 A N 0.226 122.922 122.820 -0.208 0.000 1.969 407 A HA -0.157 4.142 4.320 -0.036 0.000 0.218 407 A C 1.254 178.809 177.584 -0.047 0.000 1.169 407 A CA 1.551 53.458 52.037 -0.217 0.000 0.635 407 A CB -0.391 18.405 19.000 -0.339 0.000 0.810 407 A HN 0.635 nan 8.150 nan 0.000 0.445 408 E N -2.674 117.516 120.200 -0.016 0.000 3.680 408 E HA -0.232 4.096 4.350 -0.036 0.000 0.309 408 E C 0.632 177.269 176.600 0.062 0.000 0.793 408 E CA 0.549 56.961 56.400 0.018 0.000 1.083 408 E CB -1.839 27.864 29.700 0.006 0.000 1.548 408 E HN 0.895 nan 8.360 nan 0.000 0.456 409 G N -1.716 107.151 108.800 0.112 0.000 2.650 409 G HA2 0.496 4.434 3.960 -0.036 0.000 0.310 409 G HA3 0.496 4.434 3.960 -0.036 0.000 0.310 409 G C -0.215 174.849 174.900 0.273 0.000 1.270 409 G CA 0.118 45.312 45.100 0.157 0.000 0.810 409 G HN -0.030 nan 8.290 nan 0.000 0.493 410 S N -0.528 115.295 115.700 0.205 0.000 2.787 410 S HA 0.296 4.745 4.470 -0.036 0.000 0.255 410 S C 0.600 175.101 174.600 -0.165 0.000 1.051 410 S CA 0.336 58.572 58.200 0.060 0.000 1.124 410 S CB 0.397 63.617 63.200 0.033 0.000 1.104 410 S HN 1.101 nan 8.310 nan 0.000 0.623 411 S N 0.560 116.284 115.700 0.040 0.000 2.541 411 S HA 0.670 5.119 4.470 -0.036 0.000 0.283 411 S C 1.009 175.673 174.600 0.106 0.000 1.196 411 S CA 0.180 58.391 58.200 0.018 0.000 1.062 411 S CB 1.312 64.549 63.200 0.062 0.000 1.009 411 S HN 0.777 nan 8.310 nan 0.000 0.502 412 G N 1.049 109.905 108.800 0.093 0.000 2.141 412 G HA2 -0.151 3.788 3.960 -0.036 0.000 0.242 412 G HA3 -0.151 3.788 3.960 -0.036 0.000 0.242 412 G C -0.263 174.522 174.900 -0.192 0.000 0.982 412 G CA 0.399 45.595 45.100 0.161 0.000 0.662 412 G HN 1.756 nan 8.290 nan 0.000 0.527 413 F N -1.118 118.494 119.950 -0.562 0.000 2.711 413 F HA 0.855 5.361 4.527 -0.036 0.000 0.313 413 F C -0.654 174.775 175.800 -0.617 0.000 1.141 413 F CA -0.830 56.542 58.000 -1.046 0.000 0.941 413 F CB 0.972 39.660 39.000 -0.521 0.000 1.349 413 F HN 0.377 nan 8.300 nan 0.000 0.464 414 E N 0.702 120.597 120.200 -0.508 0.000 2.446 414 E HA 0.590 4.918 4.350 -0.036 0.000 0.276 414 E C -2.055 174.469 176.600 -0.127 0.000 0.969 414 E CA -0.867 55.397 56.400 -0.226 0.000 0.800 414 E CB 2.716 32.458 29.700 0.071 0.000 1.341 414 E HN 0.549 nan 8.360 nan 0.000 0.460 415 F N 0.214 120.296 119.950 0.219 0.000 2.450 415 F HA 0.425 4.930 4.527 -0.036 0.000 0.328 415 F C 0.523 176.360 175.800 0.063 0.000 1.068 415 F CA -0.461 57.678 58.000 0.232 0.000 1.007 415 F CB 1.852 41.023 39.000 0.284 0.000 1.251 415 F HN 0.343 nan 8.300 nan 0.000 0.492 416 Q N 0.775 120.721 119.800 0.244 0.000 2.456 416 Q HA 0.691 5.010 4.340 -0.036 0.000 0.283 416 Q C -1.267 174.780 176.000 0.079 0.000 1.084 416 Q CA -1.327 54.574 55.803 0.164 0.000 0.801 416 Q CB 3.783 32.686 28.738 0.276 0.000 1.434 416 Q HN 0.708 nan 8.270 nan 0.000 0.419 417 R N -0.119 120.494 120.500 0.189 0.000 2.734 417 R HA 0.643 4.961 4.340 -0.036 0.000 0.271 417 R C -1.933 174.630 176.300 0.438 0.000 1.021 417 R CA -0.949 55.353 56.100 0.337 0.000 0.893 417 R CB 0.809 31.329 30.300 0.367 0.000 1.244 417 R HN 0.435 nan 8.270 nan 0.000 0.464 418 L N 1.663 123.208 121.223 0.536 0.000 2.289 418 L HA 0.356 4.675 4.340 -0.036 0.000 0.285 418 L C -0.388 176.567 176.870 0.141 0.000 1.049 418 L CA -0.464 54.547 54.840 0.284 0.000 0.804 418 L CB 0.919 43.097 42.059 0.199 0.000 1.195 418 L HN 0.685 nan 8.230 nan 0.000 0.428 419 H N 3.782 122.845 119.070 -0.012 0.000 3.140 419 H HA 0.298 4.833 4.556 -0.036 0.000 0.316 419 H C 1.184 176.299 175.328 -0.355 0.000 0.986 419 H CA 1.178 57.139 56.048 -0.145 0.000 1.397 419 H CB 0.436 30.061 29.762 -0.228 0.000 1.377 419 H HN 0.813 nan 8.280 nan 0.000 0.585 420 G N 3.288 111.584 108.800 -0.839 0.000 2.175 420 G HA2 -0.219 3.719 3.960 -0.036 0.000 0.244 420 G HA3 -0.219 3.719 3.960 -0.036 0.000 0.244 420 G C 0.020 174.578 174.900 -0.571 0.000 0.982 420 G CA 0.293 44.662 45.100 -1.218 0.000 0.641 420 G HN 0.646 nan 8.290 nan 0.000 0.527 421 M N -1.209 118.150 119.600 -0.402 0.000 2.531 421 M HA 0.556 5.015 4.480 -0.036 0.000 0.286 421 M C 1.157 177.300 176.300 -0.261 0.000 1.232 421 M CA -0.025 55.013 55.300 -0.438 0.000 0.877 421 M CB 2.238 34.330 32.600 -0.846 0.000 1.726 421 M HN 1.244 nan 8.290 nan 0.000 0.463 422 G N 0.663 109.374 108.800 -0.148 0.000 2.166 422 G HA2 -0.295 3.644 3.960 -0.036 0.000 0.260 422 G HA3 -0.295 3.644 3.960 -0.036 0.000 0.260 422 G C 0.599 175.571 174.900 0.120 0.000 0.986 422 G CA 1.201 46.365 45.100 0.108 0.000 0.683 422 G HN 0.920 nan 8.290 nan 0.000 0.527 423 E N 0.156 120.386 120.200 0.051 0.000 2.017 423 E HA 0.045 4.373 4.350 -0.036 0.000 0.193 423 E C 2.898 179.529 176.600 0.052 0.000 0.997 423 E CA 1.784 58.233 56.400 0.083 0.000 0.804 423 E CB -0.410 29.327 29.700 0.062 0.000 0.757 423 E HN 0.847 nan 8.360 nan 0.000 0.448 424 A N 1.493 124.324 122.820 0.019 0.000 1.908 424 A HA -0.182 4.117 4.320 -0.036 0.000 0.218 424 A C 2.264 179.821 177.584 -0.045 0.000 1.181 424 A CA 1.403 53.443 52.037 0.005 0.000 0.627 424 A CB -0.874 18.130 19.000 0.006 0.000 0.818 424 A HN 0.472 nan 8.150 nan 0.000 0.445 425 L N -1.767 119.396 121.223 -0.101 0.000 1.956 425 L HA -0.258 4.060 4.340 -0.036 0.000 0.216 425 L C 2.546 179.207 176.870 -0.348 0.000 1.073 425 L CA 2.230 56.917 54.840 -0.255 0.000 0.762 425 L CB -0.429 41.398 42.059 -0.387 0.000 0.889 425 L HN 0.533 nan 8.230 nan 0.000 0.433 426 Y N 0.023 120.158 120.300 -0.275 0.000 2.373 426 Y HA -0.182 4.346 4.550 -0.036 0.000 0.293 426 Y C 2.578 178.291 175.900 -0.313 0.000 1.129 426 Y CA 1.209 58.993 58.100 -0.527 0.000 1.226 426 Y CB -0.065 37.672 38.460 -1.205 0.000 1.000 426 Y HN 0.318 nan 8.280 nan 0.000 0.549 427 E N -0.124 120.084 120.200 0.014 0.000 2.051 427 E HA -0.305 4.023 4.350 -0.036 0.000 0.192 427 E C 2.060 178.708 176.600 0.080 0.000 0.991 427 E CA 1.422 57.896 56.400 0.123 0.000 0.799 427 E CB -0.109 29.659 29.700 0.114 0.000 0.748 427 E HN 0.334 nan 8.360 nan 0.000 0.449 428 Q N 0.950 120.759 119.800 0.015 0.000 2.079 428 Q HA -0.154 4.164 4.340 -0.036 0.000 0.200 428 Q C 2.049 178.062 176.000 0.022 0.000 0.974 428 Q CA 0.995 56.800 55.803 0.003 0.000 0.840 428 Q CB -0.279 28.440 28.738 -0.032 0.000 0.898 428 Q HN 0.235 nan 8.270 nan 0.000 0.430 429 L N 0.057 121.282 121.223 0.003 0.000 2.079 429 L HA -0.075 4.243 4.340 -0.036 0.000 0.210 429 L C 2.055 179.049 176.870 0.206 0.000 1.081 429 L CA 2.197 57.089 54.840 0.087 0.000 0.752 429 L CB -0.906 41.134 42.059 -0.032 0.000 0.896 429 L HN 0.270 nan 8.230 nan 0.000 0.433 430 A N -0.900 122.045 122.820 0.209 0.000 1.930 430 A HA -0.184 4.115 4.320 -0.036 0.000 0.217 430 A C 2.299 179.968 177.584 0.142 0.000 1.175 430 A CA 1.616 53.799 52.037 0.243 0.000 0.627 430 A CB -0.445 18.752 19.000 0.327 0.000 0.815 430 A HN 0.476 nan 8.150 nan 0.000 0.443 431 K N -0.334 120.122 120.400 0.094 0.000 2.103 431 K HA -0.149 4.149 4.320 -0.036 0.000 0.207 431 K C 0.872 177.460 176.600 -0.021 0.000 1.048 431 K CA 1.530 57.839 56.287 0.037 0.000 0.930 431 K CB -0.173 32.340 32.500 0.023 0.000 0.716 431 K HN 0.388 nan 8.250 nan 0.000 0.444 432 D N -0.871 119.492 120.400 -0.063 0.000 2.354 432 D HA 0.005 4.624 4.640 -0.036 0.000 0.209 432 D C 0.023 175.963 176.300 -0.599 0.000 1.015 432 D CA 0.726 54.547 54.000 -0.299 0.000 0.867 432 D CB 0.318 40.926 40.800 -0.320 0.000 0.933 432 D HN 0.249 nan 8.370 nan 0.000 0.520 433 H N -0.458 118.649 119.070 0.063 0.000 3.021 433 H HA 0.398 4.933 4.556 -0.036 0.000 0.293 433 H C 0.466 175.842 175.328 0.081 0.000 1.244 433 H CA -0.451 55.643 56.048 0.076 0.000 1.596 433 H CB 1.447 31.269 29.762 0.101 0.000 1.720 433 H HN -0.101 nan 8.280 nan 0.000 0.537 434 A N 1.753 124.648 122.820 0.124 0.000 2.019 434 A HA -0.154 4.144 4.320 -0.036 0.000 0.219 434 A C 1.440 179.074 177.584 0.085 0.000 1.164 434 A CA 1.393 53.482 52.037 0.088 0.000 0.644 434 A CB 0.011 19.040 19.000 0.049 0.000 0.805 434 A HN 0.425 nan 8.150 nan 0.000 0.449 435 D N -0.488 119.971 120.400 0.098 0.000 2.355 435 D HA 0.091 4.710 4.640 -0.036 0.000 0.218 435 D C 0.313 176.638 176.300 0.041 0.000 1.004 435 D CA 0.082 54.116 54.000 0.056 0.000 0.880 435 D CB 0.016 40.847 40.800 0.053 0.000 0.911 435 D HN 0.211 nan 8.370 nan 0.000 0.528 436 I N 1.527 122.164 120.570 0.112 0.000 2.529 436 I HA 0.196 4.345 4.170 -0.036 0.000 0.284 436 I C 0.557 176.750 176.117 0.126 0.000 1.082 436 I CA -0.733 60.647 61.300 0.132 0.000 1.406 436 I CB 0.562 38.733 38.000 0.285 0.000 1.405 436 I HN -0.179 nan 8.210 nan 0.000 0.548 437 A N 7.893 130.751 122.820 0.062 0.000 2.330 437 A HA 0.740 5.038 4.320 -0.036 0.000 0.327 437 A C -1.184 176.518 177.584 0.196 0.000 1.155 437 A CA -0.435 51.627 52.037 0.040 0.000 0.803 437 A CB 1.024 20.001 19.000 -0.037 0.000 1.208 437 A HN 0.634 nan 8.150 nan 0.000 0.477 438 Y N -0.103 120.219 120.300 0.036 0.000 2.457 438 Y HA 0.760 5.288 4.550 -0.036 0.000 0.343 438 Y C -0.512 175.354 175.900 -0.057 0.000 0.994 438 Y CA -1.100 56.983 58.100 -0.027 0.000 1.031 438 Y CB 1.302 39.628 38.460 -0.223 0.000 1.246 438 Y HN 0.747 nan 8.280 nan 0.000 0.449 439 R N 1.950 122.489 120.500 0.065 0.000 2.312 439 R HA 0.621 4.939 4.340 -0.036 0.000 0.311 439 R C -1.163 175.185 176.300 0.080 0.000 1.004 439 R CA -0.400 55.683 56.100 -0.030 0.000 0.902 439 R CB 1.224 31.484 30.300 -0.067 0.000 1.073 439 R HN 0.937 nan 8.270 nan 0.000 0.457 440 T N 4.427 119.016 114.554 0.058 0.000 2.770 440 T HA 0.305 4.634 4.350 -0.036 0.000 0.283 440 T C -1.140 173.664 174.700 0.174 0.000 0.988 440 T CA -0.255 61.989 62.100 0.240 0.000 0.957 440 T CB 0.425 69.532 68.868 0.398 0.000 0.930 440 T HN 0.374 nan 8.240 nan 0.000 0.443 441 Y N 1.417 121.832 120.300 0.192 0.000 2.361 441 Y HA 0.591 5.119 4.550 -0.036 0.000 0.332 441 Y C 0.472 176.414 175.900 0.070 0.000 1.101 441 Y CA -0.932 57.261 58.100 0.155 0.000 1.137 441 Y CB 1.275 39.810 38.460 0.125 0.000 1.207 441 Y HN 0.730 nan 8.280 nan 0.000 0.463 442 A N 4.873 127.792 122.820 0.166 0.000 2.330 442 A HA 0.672 4.970 4.320 -0.036 0.000 0.327 442 A C -2.888 174.657 177.584 -0.066 0.000 1.155 442 A CA -2.164 49.833 52.037 -0.067 0.000 0.803 442 A CB 0.612 19.441 19.000 -0.286 0.000 1.208 442 A HN 0.437 nan 8.150 nan 0.000 0.477 443 P HA 0.324 nan 4.420 nan 0.000 0.271 443 P C -0.887 176.276 177.300 -0.229 0.000 1.226 443 P CA 0.109 63.060 63.100 -0.248 0.000 0.765 443 P CB 0.959 32.408 31.700 -0.418 0.000 0.835 444 V N 3.777 123.552 119.914 -0.231 0.000 2.525 444 V HA 0.888 4.986 4.120 -0.036 0.000 0.299 444 V C 0.487 176.476 176.094 -0.176 0.000 1.034 444 V CA -0.092 62.049 62.300 -0.265 0.000 0.863 444 V CB 1.526 33.056 31.823 -0.489 0.000 0.999 444 V HN 0.873 nan 8.190 nan 0.000 0.423 445 G N 2.898 111.606 108.800 -0.153 0.000 2.325 445 G HA2 0.442 4.380 3.960 -0.036 0.000 0.295 445 G HA3 0.442 4.380 3.960 -0.036 0.000 0.295 445 G C -1.014 173.800 174.900 -0.143 0.000 1.274 445 G CA -0.449 44.580 45.100 -0.118 0.000 0.857 445 G HN 0.556 nan 8.290 nan 0.000 0.499 446 S N -1.083 114.543 115.700 -0.123 0.000 2.610 446 S HA 0.359 4.808 4.470 -0.036 0.000 0.273 446 S C 1.096 175.618 174.600 -0.129 0.000 1.274 446 S CA -0.218 57.874 58.200 -0.180 0.000 1.023 446 S CB 1.095 64.213 63.200 -0.137 0.000 0.962 446 S HN 0.593 nan 8.310 nan 0.000 0.523 447 H N 1.573 120.583 119.070 -0.101 0.000 2.390 447 H HA -0.145 4.389 4.556 -0.036 0.000 0.298 447 H C 2.292 177.562 175.328 -0.097 0.000 1.106 447 H CA 1.690 57.667 56.048 -0.119 0.000 1.297 447 H CB 0.012 29.638 29.762 -0.227 0.000 1.375 447 H HN 0.552 nan 8.280 nan 0.000 0.509 448 R N 0.761 121.270 120.500 0.015 0.000 2.285 448 R HA -0.080 4.239 4.340 -0.036 0.000 0.213 448 R C 0.107 176.432 176.300 0.042 0.000 1.068 448 R CA 1.526 57.624 56.100 -0.002 0.000 1.004 448 R CB 0.189 30.463 30.300 -0.042 0.000 0.873 448 R HN 0.364 nan 8.270 nan 0.000 0.467 449 D N 0.376 120.813 120.400 0.062 0.000 2.433 449 D HA 0.012 4.630 4.640 -0.036 0.000 0.211 449 D C 1.413 177.781 176.300 0.114 0.000 1.114 449 D CA -0.105 53.962 54.000 0.113 0.000 0.837 449 D CB 0.506 41.396 40.800 0.151 0.000 0.984 449 D HN 0.135 nan 8.370 nan 0.000 0.505 450 L N 0.734 122.011 121.223 0.090 0.000 2.023 450 L HA -0.025 4.294 4.340 -0.036 0.000 0.205 450 L C 2.039 178.991 176.870 0.137 0.000 1.073 450 L CA 1.444 56.345 54.840 0.102 0.000 0.745 450 L CB -0.599 41.492 42.059 0.054 0.000 0.900 450 L HN -0.040 nan 8.230 nan 0.000 0.435 451 L N -0.371 120.907 121.223 0.091 0.000 1.990 451 L HA -0.284 4.035 4.340 -0.036 0.000 0.213 451 L C 2.676 179.612 176.870 0.109 0.000 1.072 451 L CA 1.637 56.525 54.840 0.080 0.000 0.755 451 L CB -0.900 41.194 42.059 0.059 0.000 0.889 451 L HN 0.453 nan 8.230 nan 0.000 0.432 452 A N -1.053 121.843 122.820 0.127 0.000 1.948 452 A HA -0.316 3.982 4.320 -0.036 0.000 0.220 452 A C 2.125 179.802 177.584 0.154 0.000 1.177 452 A CA 1.984 54.100 52.037 0.133 0.000 0.636 452 A CB -0.930 18.154 19.000 0.140 0.000 0.815 452 A HN 0.555 nan 8.150 nan 0.000 0.449 453 Y N -0.105 120.239 120.300 0.073 0.000 2.220 453 Y HA -0.024 4.504 4.550 -0.036 0.000 0.291 453 Y C 2.005 177.960 175.900 0.091 0.000 1.129 453 Y CA 1.484 59.636 58.100 0.085 0.000 1.161 453 Y CB -0.180 38.349 38.460 0.116 0.000 0.997 453 Y HN 0.198 nan 8.280 nan 0.000 0.522 454 L N -0.978 120.377 121.223 0.219 0.000 2.042 454 L HA -0.260 4.058 4.340 -0.036 0.000 0.210 454 L C 2.324 179.200 176.870 0.010 0.000 1.076 454 L CA 1.283 56.195 54.840 0.120 0.000 0.749 454 L CB -0.685 41.421 42.059 0.078 0.000 0.893 454 L HN 0.166 nan 8.230 nan 0.000 0.432 455 V N -0.215 119.706 119.914 0.013 0.000 2.231 455 V HA -0.376 3.722 4.120 -0.036 0.000 0.248 455 V C 2.623 178.690 176.094 -0.046 0.000 1.054 455 V CA 2.230 64.530 62.300 -0.000 0.000 1.015 455 V CB -0.622 31.216 31.823 0.025 0.000 0.638 455 V HN 0.439 nan 8.190 nan 0.000 0.444 456 R N -0.237 120.204 120.500 -0.098 0.000 2.083 456 R HA -0.242 4.076 4.340 -0.036 0.000 0.237 456 R C 2.461 178.647 176.300 -0.190 0.000 1.137 456 R CA 2.111 58.112 56.100 -0.165 0.000 0.951 456 R CB -0.317 29.834 30.300 -0.250 0.000 0.851 456 R HN 0.410 nan 8.270 nan 0.000 0.434 457 R N 0.452 120.801 120.500 -0.251 0.000 2.091 457 R HA -0.079 4.239 4.340 -0.036 0.000 0.238 457 R C 1.956 178.216 176.300 -0.067 0.000 1.136 457 R CA 1.624 57.611 56.100 -0.188 0.000 0.959 457 R CB -0.479 29.721 30.300 -0.166 0.000 0.856 457 R HN 0.309 nan 8.270 nan 0.000 0.437 458 L N -0.111 121.092 121.223 -0.035 0.000 2.217 458 L HA -0.046 4.272 4.340 -0.036 0.000 0.211 458 L C 2.219 179.084 176.870 -0.007 0.000 1.107 458 L CA 0.611 55.449 54.840 -0.003 0.000 0.783 458 L CB -0.343 41.723 42.059 0.010 0.000 0.919 458 L HN 0.235 nan 8.230 nan 0.000 0.442 459 L N -0.310 120.903 121.223 -0.016 0.000 2.079 459 L HA -0.217 4.101 4.340 -0.036 0.000 0.210 459 L C 2.709 179.578 176.870 -0.002 0.000 1.081 459 L CA 1.285 56.125 54.840 -0.000 0.000 0.752 459 L CB -0.380 41.682 42.059 0.006 0.000 0.896 459 L HN 0.356 nan 8.230 nan 0.000 0.433 460 E N -0.057 120.131 120.200 -0.019 0.000 2.140 460 E HA -0.118 4.210 4.350 -0.036 0.000 0.191 460 E C 1.714 178.308 176.600 -0.010 0.000 0.973 460 E CA 0.475 56.866 56.400 -0.016 0.000 0.829 460 E CB 0.134 29.817 29.700 -0.028 0.000 0.781 460 E HN 0.477 nan 8.360 nan 0.000 0.466 461 N N 0.039 118.732 118.700 -0.011 0.000 2.396 461 N HA -0.069 4.650 4.740 -0.036 0.000 0.180 461 N C 1.488 176.992 175.510 -0.010 0.000 1.028 461 N CA 0.993 54.036 53.050 -0.010 0.000 0.893 461 N CB 0.123 38.607 38.487 -0.005 0.000 0.967 461 N HN 0.120 nan 8.380 nan 0.000 0.440 462 G N -0.445 108.352 108.800 -0.005 0.000 3.088 462 G HA2 0.329 4.267 3.960 -0.036 0.000 0.217 462 G HA3 0.329 4.267 3.960 -0.036 0.000 0.217 462 G C 0.232 175.127 174.900 -0.008 0.000 1.159 462 G CA -0.096 45.002 45.100 -0.004 0.000 0.760 462 G HN 0.245 nan 8.290 nan 0.000 0.550 463 A N -0.173 122.640 122.820 -0.013 0.000 2.362 463 A HA 0.530 4.828 4.320 -0.036 0.000 0.276 463 A C 1.419 178.984 177.584 -0.032 0.000 1.153 463 A CA 0.518 52.543 52.037 -0.020 0.000 0.813 463 A CB -0.110 18.874 19.000 -0.026 0.000 1.081 463 A HN 0.449 nan 8.150 nan 0.000 0.507 464 N N 1.290 119.971 118.700 -0.033 0.000 2.223 464 N HA -0.179 4.540 4.740 -0.036 0.000 0.185 464 N C 1.873 177.354 175.510 -0.049 0.000 1.016 464 N CA 2.196 55.223 53.050 -0.039 0.000 0.863 464 N CB -0.591 37.877 38.487 -0.030 0.000 0.983 464 N HN 1.125 nan 8.380 nan 0.000 0.429 465 S N -0.365 115.300 115.700 -0.058 0.000 2.522 465 S HA 0.057 4.506 4.470 -0.036 0.000 0.227 465 S C 1.176 175.749 174.600 -0.045 0.000 0.986 465 S CA 0.534 58.695 58.200 -0.065 0.000 0.929 465 S CB -0.829 62.306 63.200 -0.110 0.000 0.769 465 S HN 0.842 nan 8.310 nan 0.000 0.529 466 S N 0.834 116.513 115.700 -0.035 0.000 2.549 466 S HA 0.285 4.733 4.470 -0.036 0.000 0.279 466 S C 0.544 175.163 174.600 0.030 0.000 1.321 466 S CA -0.792 57.411 58.200 0.005 0.000 1.054 466 S CB 0.209 63.411 63.200 0.004 0.000 0.899 466 S HN 0.346 nan 8.310 nan 0.000 0.497 467 F N 4.286 124.199 119.950 -0.061 0.000 2.134 467 F HA -0.090 4.415 4.527 -0.036 0.000 0.299 467 F C 2.121 177.890 175.800 -0.052 0.000 1.097 467 F CA 2.040 60.003 58.000 -0.061 0.000 1.264 467 F CB -0.544 38.413 39.000 -0.072 0.000 1.001 467 F HN 0.589 nan 8.300 nan 0.000 0.479 468 V N -0.424 119.585 119.914 0.159 0.000 2.407 468 V HA -0.173 3.925 4.120 -0.036 0.000 0.248 468 V C 2.405 178.444 176.094 -0.092 0.000 1.055 468 V CA 1.636 63.965 62.300 0.047 0.000 1.049 468 V CB -2.022 29.838 31.823 0.062 0.000 0.662 468 V HN 0.378 nan 8.190 nan 0.000 0.455 469 A N 0.088 122.859 122.820 -0.081 0.000 1.855 469 A HA -0.209 4.089 4.320 -0.036 0.000 0.215 469 A C 2.258 179.756 177.584 -0.143 0.000 1.191 469 A CA 1.980 53.960 52.037 -0.096 0.000 0.613 469 A CB -0.681 18.280 19.000 -0.066 0.000 0.829 469 A HN 0.665 nan 8.150 nan 0.000 0.442 470 Q N -0.616 119.075 119.800 -0.182 0.000 2.084 470 Q HA -0.119 4.200 4.340 -0.036 0.000 0.202 470 Q C 2.397 178.243 176.000 -0.255 0.000 0.978 470 Q CA 1.374 57.053 55.803 -0.206 0.000 0.844 470 Q CB -0.425 28.180 28.738 -0.221 0.000 0.898 470 Q HN 0.672 nan 8.270 nan 0.000 0.426 471 A N 1.102 123.672 122.820 -0.416 0.000 1.978 471 A HA -0.111 4.187 4.320 -0.036 0.000 0.220 471 A C 2.164 179.664 177.584 -0.140 0.000 1.170 471 A CA 1.592 53.413 52.037 -0.361 0.000 0.636 471 A CB -0.540 18.145 19.000 -0.525 0.000 0.810 471 A HN 0.388 nan 8.150 nan 0.000 0.448 472 A N -1.014 121.707 122.820 -0.165 0.000 2.238 472 A HA 0.174 4.472 4.320 -0.036 0.000 0.208 472 A C 0.651 178.071 177.584 -0.273 0.000 1.177 472 A CA 0.759 52.680 52.037 -0.193 0.000 0.804 472 A CB -0.169 18.732 19.000 -0.166 0.000 0.823 472 A HN 0.373 nan 8.150 nan 0.000 0.482 473 D N -0.893 119.408 120.400 -0.165 0.000 2.454 473 D HA 0.294 4.912 4.640 -0.036 0.000 0.225 473 D C 0.038 176.349 176.300 0.017 0.000 1.081 473 D CA -0.630 53.292 54.000 -0.130 0.000 0.864 473 D CB 0.153 40.896 40.800 -0.095 0.000 1.040 473 D HN 0.183 nan 8.370 nan 0.000 0.517 474 Y N 2.438 122.691 120.300 -0.079 0.000 2.680 474 Y HA 0.034 4.562 4.550 -0.036 0.000 0.303 474 Y C 1.977 177.839 175.900 -0.064 0.000 1.166 474 Y CA 0.387 58.444 58.100 -0.072 0.000 1.344 474 Y CB -0.257 38.167 38.460 -0.060 0.000 1.002 474 Y HN 0.415 nan 8.280 nan 0.000 0.537 475 R N -0.757 119.792 120.500 0.082 0.000 2.189 475 R HA 0.011 4.330 4.340 -0.036 0.000 0.218 475 R C 0.231 176.535 176.300 0.007 0.000 1.074 475 R CA 0.361 56.477 56.100 0.028 0.000 0.991 475 R CB -0.042 30.259 30.300 0.001 0.000 0.883 475 R HN -0.064 nan 8.270 nan 0.000 0.457 476 V N 3.850 123.766 119.914 0.002 0.000 2.389 476 V HA 0.151 4.250 4.120 -0.036 0.000 0.264 476 V C -2.107 173.968 176.094 -0.032 0.000 1.049 476 V CA -1.846 60.437 62.300 -0.028 0.000 0.932 476 V CB 0.941 32.728 31.823 -0.061 0.000 1.011 476 V HN 0.015 nan 8.190 nan 0.000 0.475 477 P HA 0.153 nan 4.420 nan 0.000 0.271 477 P C 1.136 178.405 177.300 -0.052 0.000 1.218 477 P CA -0.170 62.904 63.100 -0.043 0.000 0.780 477 P CB 0.889 32.571 31.700 -0.030 0.000 0.901 478 V N 4.377 124.254 119.914 -0.062 0.000 2.282 478 V HA -0.206 3.893 4.120 -0.036 0.000 0.249 478 V C -0.724 175.342 176.094 -0.046 0.000 1.057 478 V CA 2.438 64.698 62.300 -0.066 0.000 1.032 478 V CB -2.251 29.527 31.823 -0.075 0.000 0.645 478 V HN 0.665 nan 8.190 nan 0.000 0.447 479 P HA -0.125 nan 4.420 nan 0.000 0.219 479 P C 1.583 178.890 177.300 0.013 0.000 1.146 479 P CA 1.766 64.879 63.100 0.022 0.000 0.808 479 P CB -0.129 31.596 31.700 0.042 0.000 0.779 480 A N -0.462 122.353 122.820 -0.009 0.000 1.930 480 A HA -0.123 4.175 4.320 -0.036 0.000 0.217 480 A C 2.019 179.596 177.584 -0.012 0.000 1.175 480 A CA 1.220 53.249 52.037 -0.013 0.000 0.627 480 A CB -1.562 17.421 19.000 -0.027 0.000 0.815 480 A HN 0.154 nan 8.150 nan 0.000 0.443 481 L N -0.768 120.440 121.223 -0.024 0.000 2.465 481 L HA 0.017 4.335 4.340 -0.036 0.000 0.224 481 L C 1.581 178.496 176.870 0.074 0.000 1.145 481 L CA 0.370 55.217 54.840 0.012 0.000 0.834 481 L CB -0.246 41.785 42.059 -0.047 0.000 0.944 481 L HN 0.325 nan 8.230 nan 0.000 0.451 482 L N -0.768 120.470 121.223 0.025 0.000 2.640 482 L HA 0.127 4.445 4.340 -0.036 0.000 0.230 482 L C 1.072 177.964 176.870 0.037 0.000 1.123 482 L CA -0.116 54.733 54.840 0.015 0.000 0.900 482 L CB 0.075 42.110 42.059 -0.039 0.000 1.146 482 L HN 0.284 nan 8.230 nan 0.000 0.484 483 Q N 1.852 121.671 119.800 0.031 0.000 2.263 483 Q HA -0.013 4.305 4.340 -0.036 0.000 0.289 483 Q C -0.234 175.773 176.000 0.012 0.000 1.061 483 Q CA -0.109 55.707 55.803 0.022 0.000 0.927 483 Q CB 0.707 29.451 28.738 0.010 0.000 1.154 483 Q HN 0.091 nan 8.270 nan 0.000 0.378 484 R N 5.200 125.706 120.500 0.009 0.000 2.491 484 R HA 0.106 4.425 4.340 -0.036 0.000 0.283 484 R C -1.692 174.600 176.300 -0.014 0.000 1.072 484 R CA -1.815 54.281 56.100 -0.006 0.000 1.048 484 R CB 0.072 30.369 30.300 -0.006 0.000 0.983 484 R HN 0.570 nan 8.270 nan 0.000 0.450 485 P HA -0.183 nan 4.420 nan 0.000 0.215 485 P C 0.557 177.838 177.300 -0.032 0.000 1.153 485 P CA 1.776 64.856 63.100 -0.033 0.000 0.853 485 P CB 0.132 31.805 31.700 -0.045 0.000 0.788 486 A N -0.130 122.674 122.820 -0.026 0.000 1.978 486 A HA -0.224 4.075 4.320 -0.036 0.000 0.220 486 A C 1.865 179.442 177.584 -0.012 0.000 1.170 486 A CA 2.046 54.072 52.037 -0.018 0.000 0.636 486 A CB -1.325 17.673 19.000 -0.005 0.000 0.810 486 A HN 0.120 nan 8.150 nan 0.000 0.448 487 D N -0.486 119.909 120.400 -0.010 0.000 2.317 487 D HA 0.146 4.764 4.640 -0.036 0.000 0.211 487 D C 1.955 178.248 176.300 -0.013 0.000 0.966 487 D CA 1.046 55.042 54.000 -0.007 0.000 0.876 487 D CB -0.058 40.740 40.800 -0.003 0.000 0.927 487 D HN 0.466 nan 8.370 nan 0.000 0.519 488 A N 0.467 123.276 122.820 -0.019 0.000 1.975 488 A HA -0.017 4.281 4.320 -0.036 0.000 0.215 488 A C 2.002 179.569 177.584 -0.029 0.000 1.170 488 A CA 0.430 52.453 52.037 -0.024 0.000 0.656 488 A CB -0.007 18.977 19.000 -0.027 0.000 0.821 488 A HN 0.055 nan 8.150 nan 0.000 0.449 489 I N -0.314 120.239 120.570 -0.029 0.000 2.339 489 I HA -0.089 4.059 4.170 -0.036 0.000 0.245 489 I C 2.363 178.468 176.117 -0.020 0.000 1.096 489 I CA 1.566 62.849 61.300 -0.028 0.000 1.408 489 I CB -0.938 37.042 38.000 -0.033 0.000 1.092 489 I HN 0.673 nan 8.210 nan 0.000 0.423 490 V N -0.466 119.439 119.914 -0.015 0.000 0.497 490 V HA -0.389 3.709 4.120 -0.036 0.000 0.092 490 V C 0.711 176.802 176.094 -0.006 0.000 2.331 490 V CA 2.211 64.506 62.300 -0.009 0.000 3.613 490 V CB -1.342 30.475 31.823 -0.009 0.000 0.899 490 V HN 0.599 nan 8.190 nan 0.000 0.942 491 R N 1.219 121.715 120.500 -0.006 0.000 2.628 491 R HA 0.729 5.048 4.340 -0.036 0.000 0.288 491 R C -1.910 174.392 176.300 0.004 0.000 0.980 491 R CA -1.553 54.547 56.100 -0.001 0.000 0.891 491 R CB 1.882 32.182 30.300 0.000 0.000 1.188 491 R HN 0.233 nan 8.270 nan 0.000 0.450 492 P HA -0.277 nan 4.420 nan 0.000 0.216 492 P C 0.411 177.727 177.300 0.027 0.000 1.157 492 P CA 1.728 64.839 63.100 0.019 0.000 0.880 492 P CB 0.099 31.812 31.700 0.021 0.000 0.791 493 Q N -0.725 119.089 119.800 0.023 0.000 2.437 493 Q HA -0.041 4.278 4.340 -0.036 0.000 0.210 493 Q C 1.434 177.450 176.000 0.027 0.000 0.972 493 Q CA 1.415 57.235 55.803 0.028 0.000 0.903 493 Q CB -0.663 28.088 28.738 0.022 0.000 0.967 493 Q HN 0.116 nan 8.270 nan 0.000 0.486 494 A N 0.203 123.033 122.820 0.017 0.000 2.307 494 A HA 0.511 4.810 4.320 -0.036 0.000 0.218 494 A C 1.974 179.567 177.584 0.014 0.000 1.228 494 A CA 0.480 52.521 52.037 0.007 0.000 0.857 494 A CB -0.189 18.805 19.000 -0.009 0.000 0.897 494 A HN 0.497 nan 8.150 nan 0.000 0.495 495 A N 0.636 123.478 122.820 0.037 0.000 1.858 495 A HA 0.338 4.636 4.320 -0.036 0.000 0.216 495 A C 1.655 179.298 177.584 0.099 0.000 1.190 495 A CA 1.187 53.258 52.037 0.057 0.000 0.617 495 A CB -0.938 18.110 19.000 0.081 0.000 0.827 495 A HN 1.108 nan 8.150 nan 0.000 0.443 496 A N -0.382 122.511 122.820 0.122 0.000 2.425 496 A HA 0.372 4.670 4.320 -0.036 0.000 0.242 496 A C 0.297 177.968 177.584 0.144 0.000 1.077 496 A CA -0.296 51.839 52.037 0.164 0.000 0.781 496 A CB -0.260 18.837 19.000 0.162 0.000 1.020 496 A HN 0.535 nan 8.150 nan 0.000 0.494 497 H N 3.491 122.623 119.070 0.103 0.000 2.848 497 H HA 0.130 4.665 4.556 -0.036 0.000 0.317 497 H C -1.460 173.909 175.328 0.068 0.000 1.046 497 H CA -1.280 54.815 56.048 0.080 0.000 1.470 497 H CB 1.261 31.079 29.762 0.094 0.000 1.483 497 H HN 0.409 nan 8.280 nan 0.000 0.548 498 P HA -0.039 nan 4.420 nan 0.000 0.226 498 P C 0.504 177.917 177.300 0.188 0.000 1.153 498 P CA 0.877 64.022 63.100 0.074 0.000 0.777 498 P CB 0.425 32.101 31.700 -0.039 0.000 0.794 499 R N -0.476 120.286 120.500 0.436 0.000 2.546 499 R HA 0.377 4.695 4.340 -0.036 0.000 0.320 499 R C 0.309 176.699 176.300 0.151 0.000 1.021 499 R CA -0.155 56.110 56.100 0.275 0.000 1.088 499 R CB 0.364 30.829 30.300 0.276 0.000 1.278 499 R HN 0.215 nan 8.270 nan 0.000 0.557 500 I N 3.120 123.787 120.570 0.160 0.000 2.420 500 I HA 0.285 4.434 4.170 -0.036 0.000 0.282 500 I C -2.163 174.023 176.117 0.116 0.000 1.019 500 I CA -2.249 59.078 61.300 0.044 0.000 1.130 500 I CB 1.763 39.714 38.000 -0.082 0.000 1.262 500 I HN -0.183 nan 8.210 nan 0.000 0.454 501 P HA 0.252 nan 4.420 nan 0.000 0.274 501 P C -0.294 177.105 177.300 0.166 0.000 1.231 501 P CA -0.384 62.775 63.100 0.099 0.000 0.790 501 P CB 1.038 32.755 31.700 0.028 0.000 0.951 502 L N 3.483 124.770 121.223 0.106 0.000 2.483 502 L HA 0.015 4.334 4.340 -0.036 0.000 0.275 502 L C -0.985 175.813 176.870 -0.120 0.000 1.220 502 L CA -1.291 53.532 54.840 -0.029 0.000 0.833 502 L CB -0.380 41.643 42.059 -0.060 0.000 1.102 502 L HN 0.288 nan 8.230 nan 0.000 0.490 503 P HA -0.169 nan 4.420 nan 0.000 0.216 503 P C 1.562 178.751 177.300 -0.185 0.000 1.150 503 P CA 1.286 64.252 63.100 -0.224 0.000 0.843 503 P CB -0.092 31.451 31.700 -0.261 0.000 0.787 504 C N -2.459 116.760 119.300 -0.136 0.000 2.437 504 C HA 0.015 4.454 4.460 -0.036 0.000 0.283 504 C C 1.500 176.449 174.990 -0.067 0.000 1.424 504 C CA 0.355 59.324 59.018 -0.081 0.000 1.782 504 C CB -1.719 25.992 27.740 -0.049 0.000 1.833 504 C HN 0.123 nan 8.230 nan 0.000 0.532 505 D N 0.235 120.584 120.400 -0.085 0.000 2.368 505 D HA 0.134 4.753 4.640 -0.036 0.000 0.218 505 D C 1.608 177.832 176.300 -0.126 0.000 1.112 505 D CA -0.051 53.914 54.000 -0.059 0.000 0.834 505 D CB 0.128 40.916 40.800 -0.019 0.000 0.953 505 D HN 0.384 nan 8.370 nan 0.000 0.505 506 L N -0.374 120.672 121.223 -0.295 0.000 2.129 506 L HA -0.128 4.190 4.340 -0.036 0.000 0.212 506 L C 1.164 177.722 176.870 -0.521 0.000 1.087 506 L CA 1.792 56.323 54.840 -0.515 0.000 0.757 506 L CB -0.313 41.212 42.059 -0.889 0.000 0.896 506 L HN -0.008 nan 8.230 nan 0.000 0.434 507 F N -1.082 118.871 119.950 0.005 0.000 2.682 507 F HA 0.440 4.946 4.527 -0.037 0.000 0.308 507 F C 1.308 177.120 175.800 0.019 0.000 1.093 507 F CA -0.214 57.793 58.000 0.011 0.000 1.244 507 F CB -0.528 38.477 39.000 0.008 0.000 1.052 507 F HN -0.041 nan 8.300 nan 0.000 0.573 508 A N 2.359 125.251 122.820 0.121 0.000 2.520 508 A HA 0.161 4.459 4.320 -0.036 0.000 0.235 508 A C -1.204 176.429 177.584 0.082 0.000 1.065 508 A CA -0.678 51.412 52.037 0.089 0.000 0.764 508 A CB -0.329 18.701 19.000 0.050 0.000 1.002 508 A HN 0.149 nan 8.150 nan 0.000 0.502 509 P HA 0.083 nan 4.420 nan 0.000 0.262 509 P C 0.438 177.778 177.300 0.066 0.000 1.304 509 P CA 0.054 63.190 63.100 0.060 0.000 0.859 509 P CB 0.542 32.268 31.700 0.043 0.000 1.310 510 E N 1.937 122.190 120.200 0.087 0.000 2.012 510 E HA -0.128 4.201 4.350 -0.036 0.000 0.197 510 E C 1.333 177.977 176.600 0.073 0.000 1.007 510 E CA 1.414 57.859 56.400 0.076 0.000 0.816 510 E CB -0.324 29.433 29.700 0.095 0.000 0.762 510 E HN 0.535 nan 8.360 nan 0.000 0.451 511 R N -0.263 120.308 120.500 0.118 0.000 2.752 511 R HA 0.427 4.746 4.340 -0.036 0.000 0.271 511 R C -0.517 175.875 176.300 0.153 0.000 1.026 511 R CA -0.917 55.246 56.100 0.105 0.000 0.901 511 R CB 1.394 31.738 30.300 0.073 0.000 1.243 511 R HN -0.142 nan 8.270 nan 0.000 0.463 512 R N 1.347 121.917 120.500 0.118 0.000 2.615 512 R HA 0.245 4.563 4.340 -0.036 0.000 0.270 512 R C -0.510 175.896 176.300 0.177 0.000 1.081 512 R CA -0.793 55.380 56.100 0.121 0.000 1.154 512 R CB 0.066 30.413 30.300 0.078 0.000 1.063 512 R HN 0.554 nan 8.270 nan 0.000 0.519 513 N N 0.268 119.065 118.700 0.161 0.000 2.487 513 N HA 0.070 4.789 4.740 -0.036 0.000 0.292 513 N C -0.807 174.751 175.510 0.081 0.000 1.108 513 N CA -0.403 52.761 53.050 0.189 0.000 0.956 513 N CB 1.392 39.925 38.487 0.076 0.000 1.176 513 N HN 0.666 nan 8.380 nan 0.000 0.484 514 S N 1.786 117.523 115.700 0.062 0.000 2.593 514 S HA 0.373 4.821 4.470 -0.036 0.000 0.269 514 S C 0.292 174.891 174.600 -0.001 0.000 1.334 514 S CA -0.540 57.671 58.200 0.018 0.000 1.015 514 S CB 0.961 64.158 63.200 -0.006 0.000 0.912 514 S HN 0.515 nan 8.310 nan 0.000 0.541 515 R N 0.276 120.772 120.500 -0.008 0.000 2.404 515 R HA 0.596 4.915 4.340 -0.036 0.000 0.291 515 R C 0.715 177.000 176.300 -0.023 0.000 1.025 515 R CA -0.247 55.840 56.100 -0.021 0.000 0.991 515 R CB 1.334 31.625 30.300 -0.015 0.000 1.053 515 R HN 0.845 nan 8.270 nan 0.000 0.479 516 G N 0.619 109.395 108.800 -0.040 0.000 2.938 516 G HA2 0.591 4.530 3.960 -0.036 0.000 0.258 516 G HA3 0.591 4.530 3.960 -0.036 0.000 0.258 516 G C -1.184 173.701 174.900 -0.025 0.000 1.356 516 G CA -0.431 44.647 45.100 -0.038 0.000 1.052 516 G HN 0.342 nan 8.290 nan 0.000 0.550 517 V N -0.157 119.752 119.914 -0.008 0.000 2.808 517 V HA 0.407 4.505 4.120 -0.036 0.000 0.308 517 V C -1.070 175.036 176.094 0.020 0.000 1.099 517 V CA -0.739 61.585 62.300 0.041 0.000 0.920 517 V CB 1.893 33.822 31.823 0.177 0.000 1.014 517 V HN 0.755 nan 8.190 nan 0.000 0.425 518 E N 2.923 123.079 120.200 -0.074 0.000 2.052 518 E HA 0.353 4.682 4.350 -0.036 0.000 0.283 518 E C 0.175 176.787 176.600 0.020 0.000 1.071 518 E CA -0.280 56.019 56.400 -0.169 0.000 0.851 518 E CB 0.419 29.786 29.700 -0.554 0.000 1.066 518 E HN 0.418 nan 8.360 nan 0.000 0.396 519 F N 2.416 122.256 119.950 -0.183 0.000 2.365 519 F HA 0.103 4.622 4.527 -0.013 0.000 0.300 519 F C 2.088 177.800 175.800 -0.146 0.000 1.090 519 F CA 1.148 59.066 58.000 -0.138 0.000 1.408 519 F CB -0.564 38.380 39.000 -0.094 0.000 1.060 519 F HN 0.633 nan 8.300 nan 0.000 0.534 520 G N -0.756 108.049 108.800 0.007 0.000 2.920 520 G HA2 0.263 4.202 3.960 -0.036 0.000 0.208 520 G HA3 0.263 4.202 3.960 -0.036 0.000 0.208 520 G C 0.439 175.307 174.900 -0.053 0.000 1.159 520 G CA 0.461 45.543 45.100 -0.030 0.000 0.784 520 G HN 0.340 nan 8.290 nan 0.000 0.535 521 A N 0.970 123.694 122.820 -0.159 0.000 2.322 521 A HA 0.524 4.822 4.320 -0.036 0.000 0.327 521 A C 1.476 179.009 177.584 -0.084 0.000 1.394 521 A CA -0.557 51.407 52.037 -0.121 0.000 0.921 521 A CB 0.387 19.217 19.000 -0.283 0.000 1.153 521 A HN 0.413 nan 8.150 nan 0.000 0.523 522 R N 1.423 121.893 120.500 -0.049 0.000 2.127 522 R HA -0.130 4.188 4.340 -0.036 0.000 0.238 522 R C 0.991 177.247 176.300 -0.073 0.000 1.134 522 R CA 2.272 58.334 56.100 -0.063 0.000 0.975 522 R CB -0.902 29.372 30.300 -0.043 0.000 0.865 522 R HN 0.452 nan 8.270 nan 0.000 0.447 523 T N 1.052 115.566 114.554 -0.067 0.000 2.746 523 T HA -0.051 4.277 4.350 -0.036 0.000 0.267 523 T C 2.080 176.737 174.700 -0.072 0.000 1.039 523 T CA 1.548 63.609 62.100 -0.064 0.000 1.142 523 T CB -0.241 68.592 68.868 -0.057 0.000 0.866 523 T HN 0.530 nan 8.240 nan 0.000 0.444 524 A N 1.143 123.914 122.820 -0.082 0.000 1.898 524 A HA 0.055 4.354 4.320 -0.036 0.000 0.216 524 A C 2.230 179.750 177.584 -0.106 0.000 1.181 524 A CA 1.112 53.098 52.037 -0.084 0.000 0.620 524 A CB -0.744 18.198 19.000 -0.096 0.000 0.819 524 A HN 0.392 nan 8.150 nan 0.000 0.442 525 L N 0.084 121.221 121.223 -0.143 0.000 2.056 525 L HA -0.118 4.201 4.340 -0.036 0.000 0.207 525 L C 1.520 178.267 176.870 -0.206 0.000 1.078 525 L CA 2.410 57.100 54.840 -0.249 0.000 0.749 525 L CB -0.678 41.204 42.059 -0.295 0.000 0.901 525 L HN 0.311 nan 8.230 nan 0.000 0.433 526 D N -0.915 119.401 120.400 -0.140 0.000 2.144 526 D HA -0.212 4.407 4.640 -0.036 0.000 0.199 526 D C 2.100 178.344 176.300 -0.092 0.000 0.984 526 D CA 1.172 55.106 54.000 -0.109 0.000 0.834 526 D CB -0.015 40.737 40.800 -0.080 0.000 0.955 526 D HN 0.389 nan 8.370 nan 0.000 0.465 527 Q N 0.279 120.030 119.800 -0.083 0.000 2.079 527 Q HA -0.069 4.250 4.340 -0.036 0.000 0.200 527 Q C 2.005 177.966 176.000 -0.064 0.000 0.974 527 Q CA 0.688 56.453 55.803 -0.062 0.000 0.840 527 Q CB -0.473 28.235 28.738 -0.050 0.000 0.898 527 Q HN 0.237 nan 8.270 nan 0.000 0.430 528 L N -0.199 120.974 121.223 -0.083 0.000 2.012 528 L HA -0.136 4.182 4.340 -0.036 0.000 0.210 528 L C 1.955 178.772 176.870 -0.088 0.000 1.073 528 L CA 1.765 56.558 54.840 -0.079 0.000 0.748 528 L CB -0.696 41.300 42.059 -0.106 0.000 0.891 528 L HN 0.381 nan 8.230 nan 0.000 0.431 529 L N -1.232 119.917 121.223 -0.124 0.000 2.046 529 L HA -0.221 4.097 4.340 -0.036 0.000 0.208 529 L C 2.364 179.192 176.870 -0.071 0.000 1.077 529 L CA 1.820 56.593 54.840 -0.111 0.000 0.747 529 L CB -0.968 41.012 42.059 -0.131 0.000 0.896 529 L HN 0.295 nan 8.230 nan 0.000 0.432 530 T N -0.937 113.579 114.554 -0.063 0.000 2.708 530 T HA -0.186 4.143 4.350 -0.036 0.000 0.266 530 T C 1.449 176.129 174.700 -0.032 0.000 1.037 530 T CA 1.567 63.641 62.100 -0.044 0.000 1.146 530 T CB -0.257 68.587 68.868 -0.040 0.000 0.865 530 T HN 0.311 nan 8.240 nan 0.000 0.435 531 D N 0.756 121.138 120.400 -0.030 0.000 2.104 531 D HA -0.068 4.550 4.640 -0.036 0.000 0.194 531 D C 2.265 178.560 176.300 -0.009 0.000 0.994 531 D CA 0.715 54.707 54.000 -0.015 0.000 0.830 531 D CB -0.651 40.143 40.800 -0.009 0.000 0.959 531 D HN 0.187 nan 8.370 nan 0.000 0.452 532 V N 0.853 120.757 119.914 -0.017 0.000 2.343 532 V HA -0.221 3.878 4.120 -0.036 0.000 0.247 532 V C 2.423 178.505 176.094 -0.020 0.000 1.051 532 V CA 1.539 63.830 62.300 -0.015 0.000 1.036 532 V CB -0.411 31.399 31.823 -0.022 0.000 0.654 532 V HN 0.188 nan 8.190 nan 0.000 0.451 533 K N 0.363 120.747 120.400 -0.026 0.000 2.097 533 K HA -0.158 4.141 4.320 -0.036 0.000 0.206 533 K C 2.113 178.702 176.600 -0.018 0.000 1.049 533 K CA 1.461 57.733 56.287 -0.025 0.000 0.933 533 K CB -0.281 32.201 32.500 -0.030 0.000 0.717 533 K HN 0.439 nan 8.250 nan 0.000 0.442 534 A N 1.220 124.031 122.820 -0.014 0.000 2.015 534 A HA -0.072 4.227 4.320 -0.036 0.000 0.219 534 A C 0.397 177.981 177.584 -0.000 0.000 1.163 534 A CA 0.873 52.905 52.037 -0.008 0.000 0.646 534 A CB -0.142 18.854 19.000 -0.007 0.000 0.806 534 A HN 0.264 nan 8.150 nan 0.000 0.448 535 E N 0.960 121.163 120.200 0.005 0.000 2.257 535 E HA 0.238 4.567 4.350 -0.036 0.000 0.278 535 E C -0.449 176.152 176.600 0.001 0.000 1.049 535 E CA 0.165 56.578 56.400 0.023 0.000 0.876 535 E CB 0.731 30.453 29.700 0.036 0.000 1.035 535 E HN 0.171 nan 8.360 nan 0.000 0.419 536 T N 1.177 115.737 114.554 0.010 0.000 2.943 536 T HA 0.702 5.030 4.350 -0.036 0.000 0.284 536 T C -0.347 174.346 174.700 -0.013 0.000 1.015 536 T CA -0.557 61.539 62.100 -0.006 0.000 1.042 536 T CB 1.053 69.919 68.868 -0.003 0.000 1.055 536 T HN 0.513 nan 8.240 nan 0.000 0.500 537 G N 0.488 109.273 108.800 -0.025 0.000 2.152 537 G HA2 0.471 4.410 3.960 -0.036 0.000 0.290 537 G HA3 0.471 4.410 3.960 -0.036 0.000 0.290 537 G C 0.172 175.055 174.900 -0.029 0.000 1.307 537 G CA 0.302 45.382 45.100 -0.033 0.000 1.289 537 G HN 0.742 nan 8.290 nan 0.000 0.612 538 D N 0.458 120.846 120.400 -0.021 0.000 2.269 538 D HA 0.542 5.160 4.640 -0.036 0.000 0.208 538 D C 1.924 178.212 176.300 -0.021 0.000 0.963 538 D CA 1.654 55.643 54.000 -0.018 0.000 0.864 538 D CB -0.487 40.305 40.800 -0.013 0.000 0.936 538 D HN 2.424 nan 8.370 nan 0.000 0.505 539 L N -0.395 120.813 121.223 -0.025 0.000 3.362 539 L HA -0.002 4.316 4.340 -0.036 0.000 0.613 539 L C 0.652 177.510 176.870 -0.019 0.000 1.318 539 L CA 0.891 55.715 54.840 -0.027 0.000 1.019 539 L CB -3.107 38.934 42.059 -0.030 0.000 1.696 539 L HN 0.981 nan 8.230 nan 0.000 0.866 540 K N 0.644 121.035 120.400 -0.015 0.000 2.401 540 K HA 0.685 4.984 4.320 -0.036 0.000 0.278 540 K C -1.690 174.905 176.600 -0.008 0.000 1.018 540 K CA -0.799 55.483 56.287 -0.009 0.000 0.981 540 K CB 0.337 32.834 32.500 -0.005 0.000 0.933 540 K HN 0.586 nan 8.250 nan 0.000 0.477 541 P HA 0.034 nan 4.420 nan 0.000 0.266 541 P C -0.822 176.479 177.300 0.003 0.000 1.195 541 P CA 0.042 63.141 63.100 -0.003 0.000 0.768 541 P CB 0.429 32.128 31.700 -0.001 0.000 0.838 542 I N 1.987 122.560 120.570 0.005 0.000 2.330 542 I HA 0.306 4.454 4.170 -0.036 0.000 0.286 542 I C 0.558 176.687 176.117 0.020 0.000 1.025 542 I CA -0.988 60.319 61.300 0.013 0.000 1.197 542 I CB 1.126 39.133 38.000 0.012 0.000 1.358 542 I HN 0.389 nan 8.210 nan 0.000 0.467 543 A N 5.404 128.237 122.820 0.022 0.000 2.567 543 A HA -0.000 4.298 4.320 -0.036 0.000 0.240 543 A C 0.086 177.690 177.584 0.033 0.000 1.053 543 A CA 0.047 52.099 52.037 0.025 0.000 0.755 543 A CB -0.148 18.867 19.000 0.025 0.000 0.978 543 A HN 0.639 nan 8.150 nan 0.000 0.507 544 D N 0.733 121.153 120.400 0.033 0.000 2.368 544 D HA 0.438 5.056 4.640 -0.036 0.000 0.240 544 D C 0.638 176.965 176.300 0.045 0.000 1.169 544 D CA 1.083 55.108 54.000 0.041 0.000 0.906 544 D CB 0.928 41.751 40.800 0.038 0.000 1.187 544 D HN 0.760 nan 8.370 nan 0.000 0.435 545 A N 0.749 123.602 122.820 0.055 0.000 2.302 545 A HA 0.539 4.838 4.320 -0.036 0.000 0.285 545 A C 0.445 178.060 177.584 0.052 0.000 1.105 545 A CA -0.562 51.509 52.037 0.058 0.000 0.816 545 A CB 0.375 19.418 19.000 0.072 0.000 1.067 545 A HN 0.555 nan 8.150 nan 0.000 0.489 546 T N -0.487 114.095 114.554 0.046 0.000 2.899 546 T HA 0.466 4.794 4.350 -0.036 0.000 0.284 546 T C -2.079 172.650 174.700 0.048 0.000 1.004 546 T CA -1.547 60.576 62.100 0.038 0.000 1.043 546 T CB 0.948 69.831 68.868 0.025 0.000 1.013 546 T HN 0.292 nan 8.240 nan 0.000 0.518 547 P HA -0.051 nan 4.420 nan 0.000 0.219 547 P C 0.778 178.096 177.300 0.031 0.000 1.146 547 P CA 0.900 64.024 63.100 0.041 0.000 0.808 547 P CB 0.028 31.719 31.700 -0.015 0.000 0.779 548 D N -0.972 119.429 120.400 0.002 0.000 2.097 548 D HA -0.136 4.482 4.640 -0.036 0.000 0.197 548 D C 2.098 178.438 176.300 0.066 0.000 0.984 548 D CA 1.115 55.120 54.000 0.008 0.000 0.826 548 D CB -0.548 40.250 40.800 -0.003 0.000 0.973 548 D HN 0.234 nan 8.370 nan 0.000 0.460 549 Q N 0.018 119.853 119.800 0.059 0.000 2.124 549 Q HA -0.074 4.244 4.340 -0.036 0.000 0.202 549 Q C 2.134 178.177 176.000 0.072 0.000 0.977 549 Q CA 1.348 57.187 55.803 0.060 0.000 0.850 549 Q CB -0.093 28.679 28.738 0.056 0.000 0.901 549 Q HN 0.229 nan 8.270 nan 0.000 0.429 550 A N 0.389 123.274 122.820 0.108 0.000 1.902 550 A HA -0.220 4.079 4.320 -0.036 0.000 0.217 550 A C 1.542 179.194 177.584 0.114 0.000 1.181 550 A CA 1.680 53.786 52.037 0.115 0.000 0.623 550 A CB -0.639 18.455 19.000 0.157 0.000 0.818 550 A HN 0.328 nan 8.150 nan 0.000 0.443 551 H N -0.350 118.743 119.070 0.040 0.000 2.389 551 H HA 0.117 4.651 4.556 -0.036 0.000 0.299 551 H C 2.403 177.727 175.328 -0.008 0.000 1.081 551 H CA 1.244 57.340 56.048 0.081 0.000 1.345 551 H CB -0.280 29.564 29.762 0.137 0.000 1.393 551 H HN 0.492 nan 8.280 nan 0.000 0.520 552 A N 0.627 123.501 122.820 0.089 0.000 1.933 552 A HA -0.111 4.188 4.320 -0.036 0.000 0.218 552 A C 2.544 180.038 177.584 -0.149 0.000 1.175 552 A CA 1.590 53.619 52.037 -0.012 0.000 0.628 552 A CB -0.994 18.007 19.000 0.002 0.000 0.814 552 A HN 0.467 nan 8.150 nan 0.000 0.444 553 A N -0.494 122.228 122.820 -0.164 0.000 1.877 553 A HA -0.010 4.289 4.320 -0.036 0.000 0.216 553 A C 2.227 179.564 177.584 -0.412 0.000 1.186 553 A CA 1.820 53.655 52.037 -0.336 0.000 0.620 553 A CB -0.955 17.964 19.000 -0.135 0.000 0.822 553 A HN 0.401 nan 8.150 nan 0.000 0.443 554 V N -0.081 119.638 119.914 -0.325 0.000 2.343 554 V HA -0.246 3.852 4.120 -0.036 0.000 0.247 554 V C 3.057 178.943 176.094 -0.347 0.000 1.051 554 V CA 1.941 63.991 62.300 -0.416 0.000 1.036 554 V CB -1.320 30.021 31.823 -0.804 0.000 0.654 554 V HN 0.617 nan 8.190 nan 0.000 0.451 555 A N 0.060 122.723 122.820 -0.263 0.000 1.902 555 A HA -0.136 4.163 4.320 -0.036 0.000 0.217 555 A C 2.425 179.923 177.584 -0.144 0.000 1.181 555 A CA 2.219 54.173 52.037 -0.138 0.000 0.623 555 A CB -0.801 18.171 19.000 -0.047 0.000 0.818 555 A HN 0.575 nan 8.150 nan 0.000 0.443 556 A N -0.231 122.435 122.820 -0.255 0.000 1.898 556 A HA 0.193 4.491 4.320 -0.036 0.000 0.216 556 A C 2.515 179.985 177.584 -0.189 0.000 1.181 556 A CA 2.031 53.899 52.037 -0.281 0.000 0.620 556 A CB -1.029 17.630 19.000 -0.569 0.000 0.819 556 A HN 1.063 nan 8.150 nan 0.000 0.442 557 A N -0.170 122.473 122.820 -0.294 0.000 1.902 557 A HA -0.186 4.112 4.320 -0.036 0.000 0.217 557 A C 2.228 179.858 177.584 0.077 0.000 1.181 557 A CA 1.873 53.927 52.037 0.029 0.000 0.623 557 A CB -0.513 18.495 19.000 0.014 0.000 0.818 557 A HN 0.567 nan 8.150 nan 0.000 0.443 558 R N -0.318 120.174 120.500 -0.013 0.000 2.091 558 R HA -0.125 4.193 4.340 -0.036 0.000 0.238 558 R C 2.202 178.579 176.300 0.128 0.000 1.136 558 R CA 1.605 57.726 56.100 0.034 0.000 0.959 558 R CB -0.423 29.857 30.300 -0.034 0.000 0.856 558 R HN 0.433 nan 8.270 nan 0.000 0.437 559 A N -0.244 122.628 122.820 0.087 0.000 1.969 559 A HA -0.016 4.283 4.320 -0.036 0.000 0.218 559 A C 2.189 179.859 177.584 0.143 0.000 1.169 559 A CA 1.470 53.569 52.037 0.104 0.000 0.635 559 A CB -0.773 18.267 19.000 0.067 0.000 0.810 559 A HN 0.569 nan 8.150 nan 0.000 0.445 560 G N -1.910 106.996 108.800 0.177 0.000 2.712 560 G HA2 0.024 3.962 3.960 -0.036 0.000 0.212 560 G HA3 0.024 3.962 3.960 -0.036 0.000 0.212 560 G C 1.211 176.257 174.900 0.242 0.000 1.142 560 G CA 0.709 45.924 45.100 0.191 0.000 0.789 560 G HN 0.490 nan 8.290 nan 0.000 0.535 561 F N 2.598 122.626 119.950 0.129 0.000 2.134 561 F HA 0.072 4.577 4.527 -0.036 0.000 0.299 561 F C 2.594 178.476 175.800 0.137 0.000 1.097 561 F CA 1.165 59.257 58.000 0.153 0.000 1.264 561 F CB -0.351 38.713 39.000 0.107 0.000 1.001 561 F HN 0.194 nan 8.300 nan 0.000 0.479 562 A N 0.666 123.400 122.820 -0.143 0.000 1.873 562 A HA -0.141 4.157 4.320 -0.036 0.000 0.218 562 A C 2.520 179.978 177.584 -0.210 0.000 1.193 562 A CA 2.126 54.006 52.037 -0.262 0.000 0.629 562 A CB -1.857 17.113 19.000 -0.050 0.000 0.826 562 A HN 0.545 nan 8.150 nan 0.000 0.447 563 G N -2.163 106.606 108.800 -0.053 0.000 2.394 563 G HA2 -0.236 3.702 3.960 -0.036 0.000 0.215 563 G HA3 -0.236 3.702 3.960 -0.036 0.000 0.215 563 G C 1.554 176.475 174.900 0.036 0.000 1.165 563 G CA 0.792 45.891 45.100 -0.002 0.000 0.784 563 G HN 0.689 nan 8.290 nan 0.000 0.535 564 W N 2.311 123.540 121.300 -0.119 0.000 2.379 564 W HA -0.193 4.446 4.660 -0.036 0.000 0.307 564 W C 2.734 179.157 176.519 -0.159 0.000 1.200 564 W CA 1.938 59.227 57.345 -0.094 0.000 1.297 564 W CB -0.198 29.249 29.460 -0.022 0.000 1.140 564 W HN 0.378 nan 8.180 nan 0.000 0.507 565 S N 0.987 116.495 115.700 -0.319 0.000 2.400 565 S HA -0.204 4.245 4.470 -0.036 0.000 0.232 565 S C 1.628 175.983 174.600 -0.409 0.000 1.025 565 S CA 1.242 59.159 58.200 -0.472 0.000 0.993 565 S CB -0.626 62.118 63.200 -0.761 0.000 0.808 565 S HN 0.370 nan 8.310 nan 0.000 0.478 566 R N 0.841 121.145 120.500 -0.327 0.000 2.317 566 R HA 0.209 4.527 4.340 -0.036 0.000 0.208 566 R C -0.057 176.107 176.300 -0.226 0.000 0.914 566 R CA 0.181 56.139 56.100 -0.236 0.000 1.060 566 R CB 0.004 30.202 30.300 -0.169 0.000 1.015 566 R HN 0.291 nan 8.270 nan 0.000 0.498 567 T N 3.520 117.887 114.554 -0.311 0.000 2.888 567 T HA 0.108 4.436 4.350 -0.036 0.000 0.301 567 T C -2.317 172.184 174.700 -0.332 0.000 1.001 567 T CA -1.024 60.889 62.100 -0.312 0.000 1.147 567 T CB 0.968 69.581 68.868 -0.425 0.000 0.931 567 T HN -0.074 nan 8.240 nan 0.000 0.541 568 P HA 0.075 nan 4.420 nan 0.000 0.265 568 P C 0.513 177.703 177.300 -0.182 0.000 1.187 568 P CA -0.067 62.938 63.100 -0.157 0.000 0.766 568 P CB 0.377 32.020 31.700 -0.094 0.000 0.820 569 A N 4.118 126.859 122.820 -0.132 0.000 1.940 569 A HA -0.143 4.155 4.320 -0.036 0.000 0.219 569 A C 2.335 179.886 177.584 -0.055 0.000 1.176 569 A CA 2.205 54.186 52.037 -0.093 0.000 0.631 569 A CB -1.701 17.314 19.000 0.024 0.000 0.814 569 A HN 0.639 nan 8.150 nan 0.000 0.446 570 G N -0.138 108.639 108.800 -0.039 0.000 2.422 570 G HA2 -0.179 3.759 3.960 -0.036 0.000 0.218 570 G HA3 -0.179 3.759 3.960 -0.036 0.000 0.218 570 G C 1.487 176.377 174.900 -0.015 0.000 1.146 570 G CA 1.127 46.216 45.100 -0.018 0.000 0.769 570 G HN 0.514 nan 8.290 nan 0.000 0.547 571 I N 0.040 120.586 120.570 -0.040 0.000 2.353 571 I HA -0.087 4.062 4.170 -0.036 0.000 0.248 571 I C 2.987 179.113 176.117 0.014 0.000 1.119 571 I CA 0.615 61.906 61.300 -0.015 0.000 1.417 571 I CB -0.180 37.802 38.000 -0.030 0.000 1.078 571 I HN 0.103 nan 8.210 nan 0.000 0.421 572 R N 1.120 121.572 120.500 -0.079 0.000 2.081 572 R HA -0.097 4.222 4.340 -0.036 0.000 0.235 572 R C 2.471 178.835 176.300 0.107 0.000 1.131 572 R CA 1.486 57.588 56.100 0.003 0.000 0.960 572 R CB -0.569 29.578 30.300 -0.255 0.000 0.856 572 R HN 0.320 nan 8.270 nan 0.000 0.436 573 A N 1.678 124.529 122.820 0.051 0.000 1.933 573 A HA -0.106 4.193 4.320 -0.036 0.000 0.218 573 A C 2.429 180.056 177.584 0.072 0.000 1.175 573 A CA 1.690 53.767 52.037 0.067 0.000 0.628 573 A CB -0.581 18.445 19.000 0.043 0.000 0.814 573 A HN 0.397 nan 8.150 nan 0.000 0.444 574 A N -0.260 122.597 122.820 0.061 0.000 1.972 574 A HA 0.185 4.483 4.320 -0.036 0.000 0.219 574 A C 2.453 180.086 177.584 0.081 0.000 1.169 574 A CA 1.943 54.015 52.037 0.058 0.000 0.635 574 A CB -0.859 18.167 19.000 0.044 0.000 0.810 574 A HN 0.997 nan 8.150 nan 0.000 0.446 575 A N -0.508 122.383 122.820 0.117 0.000 1.873 575 A HA 0.017 4.316 4.320 -0.036 0.000 0.215 575 A C 2.003 179.652 177.584 0.108 0.000 1.186 575 A CA 1.610 53.725 52.037 0.130 0.000 0.616 575 A CB -0.578 18.543 19.000 0.201 0.000 0.823 575 A HN 0.387 nan 8.150 nan 0.000 0.442 576 L N 0.046 121.340 121.223 0.117 0.000 2.042 576 L HA -0.203 4.115 4.340 -0.036 0.000 0.210 576 L C 2.405 179.327 176.870 0.087 0.000 1.076 576 L CA 2.236 57.137 54.840 0.101 0.000 0.749 576 L CB -0.779 41.352 42.059 0.119 0.000 0.893 576 L HN 0.495 nan 8.230 nan 0.000 0.432 577 E N -1.495 118.754 120.200 0.081 0.000 2.150 577 E HA -0.260 4.068 4.350 -0.036 0.000 0.193 577 E C 2.106 178.759 176.600 0.089 0.000 0.985 577 E CA 0.796 57.240 56.400 0.073 0.000 0.814 577 E CB -0.037 29.697 29.700 0.056 0.000 0.752 577 E HN 0.384 nan 8.360 nan 0.000 0.466 578 Q N 0.839 120.691 119.800 0.087 0.000 2.172 578 Q HA -0.052 4.267 4.340 -0.036 0.000 0.200 578 Q C 1.860 177.942 176.000 0.136 0.000 0.964 578 Q CA 1.515 57.385 55.803 0.111 0.000 0.855 578 Q CB -0.182 28.607 28.738 0.084 0.000 0.918 578 Q HN 0.221 nan 8.270 nan 0.000 0.444 579 A N 0.494 123.369 122.820 0.093 0.000 1.877 579 A HA -0.023 4.275 4.320 -0.036 0.000 0.216 579 A C 2.330 179.941 177.584 0.044 0.000 1.186 579 A CA 1.820 53.895 52.037 0.062 0.000 0.620 579 A CB -1.282 17.744 19.000 0.043 0.000 0.822 579 A HN 0.528 nan 8.150 nan 0.000 0.443 580 A N -0.625 122.230 122.820 0.058 0.000 1.892 580 A HA -0.257 4.041 4.320 -0.036 0.000 0.218 580 A C 2.033 179.652 177.584 0.058 0.000 1.188 580 A CA 2.363 54.426 52.037 0.043 0.000 0.631 580 A CB -1.036 17.998 19.000 0.057 0.000 0.822 580 A HN 0.817 nan 8.150 nan 0.000 0.447 581 H N -0.159 118.921 119.070 0.017 0.000 2.352 581 H HA -0.056 4.480 4.556 -0.034 0.000 0.299 581 H C 1.698 177.043 175.328 0.028 0.000 1.097 581 H CA 2.092 58.153 56.048 0.022 0.000 1.311 581 H CB -0.281 29.497 29.762 0.027 0.000 1.377 581 H HN 0.379 nan 8.280 nan 0.000 0.504 582 L N -0.422 120.772 121.223 -0.048 0.000 2.109 582 L HA -0.117 4.202 4.340 -0.036 0.000 0.207 582 L C 2.549 179.389 176.870 -0.050 0.000 1.086 582 L CA 0.712 55.510 54.840 -0.071 0.000 0.760 582 L CB -0.353 41.739 42.059 0.055 0.000 0.910 582 L HN 0.308 nan 8.230 nan 0.000 0.437 583 L N -0.340 120.836 121.223 -0.078 0.000 1.989 583 L HA -0.241 4.077 4.340 -0.036 0.000 0.211 583 L C 2.643 179.479 176.870 -0.057 0.000 1.071 583 L CA 1.560 56.309 54.840 -0.151 0.000 0.749 583 L CB -0.479 41.455 42.059 -0.208 0.000 0.890 583 L HN 0.296 nan 8.230 nan 0.000 0.431 584 E N -0.882 119.278 120.200 -0.066 0.000 2.106 584 E HA -0.201 4.127 4.350 -0.036 0.000 0.192 584 E C 2.295 178.868 176.600 -0.046 0.000 0.984 584 E CA 1.302 57.678 56.400 -0.040 0.000 0.806 584 E CB -0.127 29.550 29.700 -0.038 0.000 0.750 584 E HN 0.331 nan 8.360 nan 0.000 0.458 585 S N 0.672 116.294 115.700 -0.131 0.000 2.400 585 S HA -0.124 4.324 4.470 -0.036 0.000 0.232 585 S C 1.564 176.156 174.600 -0.012 0.000 1.025 585 S CA 1.035 59.157 58.200 -0.130 0.000 0.993 585 S CB 0.019 63.046 63.200 -0.289 0.000 0.808 585 S HN 0.131 nan 8.310 nan 0.000 0.478 586 R N 0.665 121.208 120.500 0.071 0.000 2.633 586 R HA 0.243 4.562 4.340 -0.036 0.000 0.348 586 R C 1.809 178.289 176.300 0.299 0.000 1.100 586 R CA 0.511 56.721 56.100 0.184 0.000 1.068 586 R CB 0.283 30.742 30.300 0.264 0.000 1.351 586 R HN 0.504 nan 8.270 nan 0.000 0.575 587 S N 0.479 116.289 115.700 0.184 0.000 2.387 587 S HA -0.259 4.190 4.470 -0.036 0.000 0.230 587 S C 2.186 176.893 174.600 0.177 0.000 1.035 587 S CA 1.266 59.573 58.200 0.179 0.000 1.014 587 S CB -0.111 63.142 63.200 0.088 0.000 0.836 587 S HN 0.404 nan 8.310 nan 0.000 0.466 588 A N 1.897 124.793 122.820 0.127 0.000 1.902 588 A HA -0.131 4.168 4.320 -0.036 0.000 0.217 588 A C 2.099 179.734 177.584 0.086 0.000 1.181 588 A CA 1.952 54.040 52.037 0.085 0.000 0.623 588 A CB -1.367 17.665 19.000 0.054 0.000 0.818 588 A HN 0.757 nan 8.150 nan 0.000 0.443 589 H N -1.442 117.626 119.070 -0.003 0.000 2.319 589 H HA -0.134 4.399 4.556 -0.038 0.000 0.299 589 H C 1.609 176.838 175.328 -0.165 0.000 1.092 589 H CA 2.324 58.300 56.048 -0.120 0.000 1.302 589 H CB -0.387 29.247 29.762 -0.214 0.000 1.373 589 H HN 0.456 nan 8.280 nan 0.000 0.497 590 F N -0.293 119.643 119.950 -0.024 0.000 2.206 590 F HA -0.021 4.483 4.527 -0.037 0.000 0.298 590 F C 2.469 178.230 175.800 -0.064 0.000 1.090 590 F CA 0.846 58.801 58.000 -0.076 0.000 1.323 590 F CB -0.173 38.841 39.000 0.024 0.000 1.028 590 F HN 0.171 nan 8.300 nan 0.000 0.492 591 I N -0.235 120.418 120.570 0.139 0.000 2.226 591 I HA -0.316 3.833 4.170 -0.036 0.000 0.245 591 I C 2.634 178.757 176.117 0.010 0.000 1.100 591 I CA 1.122 62.468 61.300 0.077 0.000 1.374 591 I CB -0.663 37.381 38.000 0.073 0.000 1.057 591 I HN 0.107 nan 8.210 nan 0.000 0.413 592 A N 0.657 123.451 122.820 -0.043 0.000 1.902 592 A HA -0.198 4.101 4.320 -0.036 0.000 0.217 592 A C 2.148 179.666 177.584 -0.110 0.000 1.181 592 A CA 1.518 53.506 52.037 -0.081 0.000 0.623 592 A CB -0.703 18.232 19.000 -0.109 0.000 0.818 592 A HN 0.287 nan 8.150 nan 0.000 0.443 593 L N -0.451 120.663 121.223 -0.181 0.000 2.046 593 L HA -0.112 4.206 4.340 -0.036 0.000 0.208 593 L C 2.488 179.324 176.870 -0.057 0.000 1.077 593 L CA 1.434 56.178 54.840 -0.160 0.000 0.747 593 L CB -0.784 41.130 42.059 -0.241 0.000 0.896 593 L HN 0.375 nan 8.230 nan 0.000 0.432 594 L N -1.384 119.835 121.223 -0.007 0.000 2.083 594 L HA -0.255 4.063 4.340 -0.036 0.000 0.209 594 L C 2.578 179.453 176.870 0.010 0.000 1.083 594 L CA 1.172 56.027 54.840 0.025 0.000 0.752 594 L CB -0.431 41.663 42.059 0.058 0.000 0.899 594 L HN 0.410 nan 8.230 nan 0.000 0.433 595 Q N -0.958 118.841 119.800 -0.002 0.000 2.096 595 Q HA -0.106 4.213 4.340 -0.036 0.000 0.197 595 Q C 2.407 178.397 176.000 -0.016 0.000 0.964 595 Q CA 0.779 56.580 55.803 -0.003 0.000 0.838 595 Q CB 0.057 28.794 28.738 -0.002 0.000 0.906 595 Q HN 0.360 nan 8.270 nan 0.000 0.444 596 R N 0.804 121.285 120.500 -0.031 0.000 2.055 596 R HA -0.078 4.241 4.340 -0.036 0.000 0.228 596 R C 1.995 178.272 176.300 -0.038 0.000 1.143 596 R CA 1.248 57.325 56.100 -0.038 0.000 0.945 596 R CB -0.237 30.032 30.300 -0.052 0.000 0.841 596 R HN 0.333 nan 8.270 nan 0.000 0.429 597 E N -0.858 119.319 120.200 -0.038 0.000 2.122 597 E HA -0.050 4.278 4.350 -0.036 0.000 0.190 597 E C 1.671 178.263 176.600 -0.012 0.000 0.977 597 E CA 0.862 57.244 56.400 -0.030 0.000 0.820 597 E CB 0.016 29.698 29.700 -0.030 0.000 0.770 597 E HN 0.393 nan 8.360 nan 0.000 0.462 598 G N -0.474 108.328 108.800 0.004 0.000 2.744 598 G HA2 0.084 4.023 3.960 -0.036 0.000 0.211 598 G HA3 0.084 4.023 3.960 -0.036 0.000 0.211 598 G C 1.074 175.984 174.900 0.017 0.000 1.146 598 G CA 0.291 45.411 45.100 0.034 0.000 0.787 598 G HN 0.448 nan 8.290 nan 0.000 0.534 599 G N 0.126 108.920 108.800 -0.010 0.000 2.198 599 G HA2 -0.281 3.657 3.960 -0.036 0.000 0.260 599 G HA3 -0.281 3.657 3.960 -0.036 0.000 0.260 599 G C 0.297 175.200 174.900 0.004 0.000 1.025 599 G CA 0.424 45.511 45.100 -0.022 0.000 0.769 599 G HN 0.556 nan 8.290 nan 0.000 0.507 600 K N 1.164 121.572 120.400 0.014 0.000 2.174 600 K HA 0.459 4.757 4.320 -0.036 0.000 0.275 600 K C 1.270 177.892 176.600 0.037 0.000 1.015 600 K CA 0.120 56.420 56.287 0.022 0.000 0.933 600 K CB 0.860 33.367 32.500 0.012 0.000 1.025 600 K HN 0.372 nan 8.250 nan 0.000 0.463 601 T N -0.364 114.222 114.554 0.053 0.000 2.748 601 T HA -0.018 4.311 4.350 -0.036 0.000 0.304 601 T C 1.306 176.055 174.700 0.082 0.000 1.041 601 T CA -0.700 61.441 62.100 0.067 0.000 1.033 601 T CB 0.469 69.388 68.868 0.086 0.000 0.995 601 T HN 0.453 nan 8.240 nan 0.000 0.536 602 L N 0.502 121.784 121.223 0.098 0.000 2.042 602 L HA -0.019 4.300 4.340 -0.036 0.000 0.210 602 L C 2.153 179.158 176.870 0.226 0.000 1.076 602 L CA 2.110 57.029 54.840 0.132 0.000 0.749 602 L CB -1.145 40.961 42.059 0.078 0.000 0.893 602 L HN 0.915 nan 8.230 nan 0.000 0.432 603 D N -1.199 119.358 120.400 0.262 0.000 2.183 603 D HA -0.172 4.446 4.640 -0.036 0.000 0.203 603 D C 1.675 178.014 176.300 0.064 0.000 0.969 603 D CA 1.003 55.087 54.000 0.140 0.000 0.842 603 D CB 0.031 40.827 40.800 -0.008 0.000 0.957 603 D HN 0.387 nan 8.370 nan 0.000 0.484 604 D N -0.383 120.061 120.400 0.073 0.000 2.149 604 D HA -0.048 4.571 4.640 -0.036 0.000 0.201 604 D C 1.930 178.271 176.300 0.068 0.000 0.972 604 D CA 1.119 55.153 54.000 0.057 0.000 0.835 604 D CB -0.273 40.548 40.800 0.036 0.000 0.966 604 D HN 0.275 nan 8.370 nan 0.000 0.476 605 A N 0.970 123.834 122.820 0.074 0.000 1.855 605 A HA -0.122 4.177 4.320 -0.036 0.000 0.215 605 A C 2.163 179.799 177.584 0.087 0.000 1.191 605 A CA 0.992 53.076 52.037 0.078 0.000 0.613 605 A CB -0.813 18.229 19.000 0.070 0.000 0.829 605 A HN 0.244 nan 8.150 nan 0.000 0.442 606 L N 0.190 121.470 121.223 0.095 0.000 2.042 606 L HA -0.147 4.171 4.340 -0.036 0.000 0.210 606 L C 2.559 179.458 176.870 0.047 0.000 1.076 606 L CA 2.798 57.688 54.840 0.084 0.000 0.749 606 L CB -0.850 41.280 42.059 0.119 0.000 0.893 606 L HN 0.372 nan 8.230 nan 0.000 0.432 607 S N -1.028 114.693 115.700 0.035 0.000 2.368 607 S HA -0.284 4.165 4.470 -0.036 0.000 0.225 607 S C 2.083 176.704 174.600 0.036 0.000 1.030 607 S CA 1.586 59.794 58.200 0.012 0.000 0.999 607 S CB -0.447 62.757 63.200 0.007 0.000 0.844 607 S HN 0.698 nan 8.310 nan 0.000 0.459 608 E N 0.145 120.401 120.200 0.095 0.000 2.072 608 E HA -0.092 4.236 4.350 -0.036 0.000 0.191 608 E C 2.175 178.824 176.600 0.082 0.000 0.985 608 E CA 1.002 57.487 56.400 0.141 0.000 0.801 608 E CB -0.299 29.534 29.700 0.220 0.000 0.750 608 E HN 0.474 nan 8.360 nan 0.000 0.452 609 L N 1.489 122.751 121.223 0.064 0.000 1.989 609 L HA -0.214 4.104 4.340 -0.036 0.000 0.211 609 L C 2.253 179.118 176.870 -0.008 0.000 1.071 609 L CA 1.896 56.752 54.840 0.027 0.000 0.749 609 L CB -0.785 41.304 42.059 0.050 0.000 0.890 609 L HN 0.215 nan 8.230 nan 0.000 0.431 610 R N -0.265 120.228 120.500 -0.011 0.000 2.083 610 R HA -0.243 4.075 4.340 -0.036 0.000 0.237 610 R C 2.169 178.419 176.300 -0.084 0.000 1.137 610 R CA 1.854 57.930 56.100 -0.040 0.000 0.951 610 R CB -0.377 29.897 30.300 -0.042 0.000 0.851 610 R HN 0.537 nan 8.270 nan 0.000 0.434 611 E N 0.450 120.588 120.200 -0.103 0.000 2.085 611 E HA -0.208 4.121 4.350 -0.036 0.000 0.194 611 E C 1.936 178.448 176.600 -0.147 0.000 0.994 611 E CA 1.198 57.465 56.400 -0.222 0.000 0.801 611 E CB -0.027 29.549 29.700 -0.206 0.000 0.743 611 E HN 0.377 nan 8.360 nan 0.000 0.453 612 A N 1.225 124.060 122.820 0.025 0.000 1.883 612 A HA -0.141 4.157 4.320 -0.036 0.000 0.217 612 A C 2.407 180.027 177.584 0.060 0.000 1.186 612 A CA 2.003 54.113 52.037 0.122 0.000 0.624 612 A CB -0.845 18.182 19.000 0.046 0.000 0.822 612 A HN 0.421 nan 8.150 nan 0.000 0.444 613 A N -0.222 122.588 122.820 -0.018 0.000 1.930 613 A HA -0.145 4.153 4.320 -0.036 0.000 0.217 613 A C 1.742 179.305 177.584 -0.034 0.000 1.175 613 A CA 1.818 53.843 52.037 -0.020 0.000 0.627 613 A CB -0.547 18.436 19.000 -0.028 0.000 0.815 613 A HN 0.464 nan 8.150 nan 0.000 0.443 614 D N -0.688 119.646 120.400 -0.110 0.000 2.117 614 D HA -0.121 4.497 4.640 -0.036 0.000 0.197 614 D C 1.623 177.788 176.300 -0.225 0.000 0.987 614 D CA 1.001 54.880 54.000 -0.200 0.000 0.829 614 D CB -0.478 40.120 40.800 -0.336 0.000 0.961 614 D HN 0.562 nan 8.370 nan 0.000 0.460 615 F N 0.815 120.631 119.950 -0.224 0.000 2.095 615 F HA -0.267 4.239 4.527 -0.036 0.000 0.298 615 F C 2.681 178.328 175.800 -0.255 0.000 1.104 615 F CA 0.707 58.489 58.000 -0.364 0.000 1.232 615 F CB -0.186 38.678 39.000 -0.227 0.000 0.987 615 F HN 0.043 nan 8.300 nan 0.000 0.475 616 C N 0.001 119.370 119.300 0.116 0.000 2.432 616 C HA -0.171 4.267 4.460 -0.036 0.000 0.277 616 C C 2.718 177.757 174.990 0.081 0.000 1.249 616 C CA 0.899 59.984 59.018 0.112 0.000 1.725 616 C CB -1.160 26.629 27.740 0.083 0.000 2.028 616 C HN 0.389 nan 8.230 nan 0.000 0.477 617 R N -0.915 119.610 120.500 0.041 0.000 2.090 617 R HA -0.105 4.214 4.340 -0.036 0.000 0.228 617 R C 2.218 178.535 176.300 0.028 0.000 1.110 617 R CA 1.469 57.591 56.100 0.036 0.000 0.973 617 R CB -0.565 29.753 30.300 0.029 0.000 0.869 617 R HN 0.675 nan 8.270 nan 0.000 0.440 618 Y N 0.474 120.685 120.300 -0.149 0.000 2.163 618 Y HA -0.233 4.295 4.550 -0.036 0.000 0.288 618 Y C 1.821 177.705 175.900 -0.026 0.000 1.136 618 Y CA 1.335 59.327 58.100 -0.181 0.000 1.147 618 Y CB -0.286 37.959 38.460 -0.358 0.000 0.987 618 Y HN -0.056 nan 8.280 nan 0.000 0.509 619 Y N -0.081 120.231 120.300 0.019 0.000 2.274 619 Y HA -0.104 4.425 4.550 -0.035 0.000 0.290 619 Y C 2.650 178.511 175.900 -0.064 0.000 1.145 619 Y CA 0.560 58.631 58.100 -0.049 0.000 1.203 619 Y CB -1.458 37.044 38.460 0.071 0.000 0.984 619 Y HN 0.257 nan 8.280 nan 0.000 0.533 620 A N 0.048 122.937 122.820 0.115 0.000 1.902 620 A HA -0.098 4.201 4.320 -0.036 0.000 0.217 620 A C 2.526 180.112 177.584 0.003 0.000 1.181 620 A CA 1.947 54.026 52.037 0.069 0.000 0.623 620 A CB -1.119 17.919 19.000 0.064 0.000 0.818 620 A HN 0.367 nan 8.150 nan 0.000 0.443 621 A N -1.254 121.529 122.820 -0.060 0.000 1.873 621 A HA -0.136 4.162 4.320 -0.036 0.000 0.215 621 A C 2.116 179.605 177.584 -0.159 0.000 1.186 621 A CA 1.561 53.538 52.037 -0.100 0.000 0.616 621 A CB -0.448 18.488 19.000 -0.107 0.000 0.823 621 A HN 0.466 nan 8.150 nan 0.000 0.442 622 Q N -0.351 119.283 119.800 -0.278 0.000 2.167 622 Q HA -0.102 4.216 4.340 -0.036 0.000 0.202 622 Q C 2.174 178.061 176.000 -0.187 0.000 0.970 622 Q CA 1.414 57.051 55.803 -0.277 0.000 0.855 622 Q CB -0.984 27.529 28.738 -0.375 0.000 0.911 622 Q HN 0.654 nan 8.270 nan 0.000 0.438 623 G N 1.192 109.955 108.800 -0.061 0.000 2.440 623 G HA2 -0.284 3.654 3.960 -0.036 0.000 0.218 623 G HA3 -0.284 3.654 3.960 -0.036 0.000 0.218 623 G C 1.594 176.512 174.900 0.029 0.000 1.154 623 G CA 0.589 45.738 45.100 0.082 0.000 0.767 623 G HN 0.277 nan 8.290 nan 0.000 0.552 624 R N 0.209 120.702 120.500 -0.012 0.000 2.092 624 R HA 0.031 4.349 4.340 -0.036 0.000 0.231 624 R C 2.644 178.902 176.300 -0.071 0.000 1.119 624 R CA 1.184 57.273 56.100 -0.018 0.000 0.970 624 R CB -0.215 30.074 30.300 -0.018 0.000 0.864 624 R HN 0.297 nan 8.270 nan 0.000 0.440 625 K N 0.308 120.638 120.400 -0.117 0.000 2.057 625 K HA -0.142 4.156 4.320 -0.036 0.000 0.207 625 K C 1.982 178.462 176.600 -0.200 0.000 1.049 625 K CA 1.036 57.242 56.287 -0.136 0.000 0.931 625 K CB -0.125 32.290 32.500 -0.141 0.000 0.714 625 K HN 0.018 nan 8.250 nan 0.000 0.440 626 L N -0.352 120.655 121.223 -0.361 0.000 2.127 626 L HA 0.032 4.350 4.340 -0.036 0.000 0.203 626 L C 1.315 177.857 176.870 -0.546 0.000 1.080 626 L CA 1.643 56.128 54.840 -0.591 0.000 0.768 626 L CB -0.044 41.385 42.059 -1.050 0.000 0.924 626 L HN 0.060 nan 8.230 nan 0.000 0.444 627 F N -1.729 118.193 119.950 -0.047 0.000 2.678 627 F HA 0.329 4.835 4.527 -0.036 0.000 0.305 627 F C 2.087 177.852 175.800 -0.059 0.000 1.090 627 F CA 0.224 58.191 58.000 -0.054 0.000 1.272 627 F CB -0.361 38.596 39.000 -0.072 0.000 1.060 627 F HN 0.054 nan 8.300 nan 0.000 0.576 628 G N 0.150 108.979 108.800 0.049 0.000 2.408 628 G HA2 0.020 3.958 3.960 -0.036 0.000 0.217 628 G HA3 0.020 3.958 3.960 -0.036 0.000 0.217 628 G C 0.511 175.416 174.900 0.009 0.000 1.150 628 G CA 0.950 46.062 45.100 0.020 0.000 0.776 628 G HN 0.351 nan 8.290 nan 0.000 0.542 629 S N -0.841 114.860 115.700 0.002 0.000 2.596 629 S HA 0.475 4.923 4.470 -0.036 0.000 0.270 629 S C -0.658 173.943 174.600 0.002 0.000 1.155 629 S CA -0.795 57.406 58.200 0.001 0.000 0.827 629 S CB 1.934 65.129 63.200 -0.008 0.000 1.130 629 S HN 0.511 nan 8.310 nan 0.000 0.467 630 E N 0.615 120.818 120.200 0.005 0.000 2.410 630 E HA 0.405 4.734 4.350 -0.036 0.000 0.255 630 E C -0.870 175.729 176.600 -0.002 0.000 1.194 630 E CA -0.455 55.949 56.400 0.007 0.000 0.955 630 E CB 0.178 29.883 29.700 0.008 0.000 0.988 630 E HN 0.498 nan 8.360 nan 0.000 0.461 631 T N 0.734 115.288 114.554 -0.000 0.000 2.758 631 T HA 0.465 4.794 4.350 -0.036 0.000 0.285 631 T C -0.391 174.309 174.700 -0.000 0.000 0.981 631 T CA -0.522 61.576 62.100 -0.004 0.000 0.965 631 T CB 1.283 70.147 68.868 -0.007 0.000 0.927 631 T HN 0.618 nan 8.240 nan 0.000 0.448 632 A N 5.564 128.383 122.820 -0.002 0.000 2.409 632 A HA 0.590 4.889 4.320 -0.036 0.000 0.267 632 A C 0.347 177.932 177.584 0.001 0.000 1.127 632 A CA -0.504 51.533 52.037 -0.000 0.000 0.795 632 A CB -0.017 18.983 19.000 -0.001 0.000 1.061 632 A HN 0.685 nan 8.150 nan 0.000 0.502 633 M N 3.893 123.495 119.600 0.002 0.000 2.318 633 M HA 0.363 4.822 4.480 -0.036 0.000 0.347 633 M C -2.208 174.093 176.300 0.002 0.000 1.175 633 M CA -2.620 52.681 55.300 0.003 0.000 1.075 633 M CB 0.520 33.123 32.600 0.004 0.000 1.614 633 M HN 0.478 nan 8.290 nan 0.000 0.456 634 P HA 0.501 nan 4.420 nan 0.000 0.271 634 P C -0.294 177.007 177.300 0.002 0.000 1.216 634 P CA 0.016 63.117 63.100 0.002 0.000 0.776 634 P CB 1.044 32.745 31.700 0.002 0.000 0.881 635 G N 2.239 111.040 108.800 0.002 0.000 2.634 635 G HA2 0.576 4.514 3.960 -0.036 0.000 0.309 635 G HA3 0.576 4.514 3.960 -0.036 0.000 0.309 635 G C -2.958 171.943 174.900 0.002 0.000 1.299 635 G CA -0.780 44.321 45.100 0.002 0.000 0.798 635 G HN 0.484 nan 8.290 nan 0.000 0.490 636 P HA 0.401 nan 4.420 nan 0.000 0.276 636 P C 0.062 177.363 177.300 0.001 0.000 1.261 636 P CA -0.167 62.934 63.100 0.001 0.000 0.800 636 P CB 0.878 32.579 31.700 0.001 0.000 1.066 637 T N -1.022 113.532 114.554 0.001 0.000 2.856 637 T HA 0.365 4.694 4.350 -0.036 0.000 0.306 637 T C 1.211 175.911 174.700 0.001 0.000 1.062 637 T CA 1.249 63.349 62.100 0.001 0.000 1.083 637 T CB -0.743 68.126 68.868 0.001 0.000 0.984 637 T HN 0.847 nan 8.240 nan 0.000 0.542 638 G N 1.924 110.725 108.800 0.001 0.000 2.153 638 G HA2 -0.209 3.730 3.960 -0.036 0.000 0.252 638 G HA3 -0.209 3.730 3.960 -0.036 0.000 0.252 638 G C -0.084 174.816 174.900 0.001 0.000 0.994 638 G CA 0.685 45.786 45.100 0.001 0.000 0.698 638 G HN 0.958 nan 8.290 nan 0.000 0.521 639 E N -0.217 119.983 120.200 0.001 0.000 2.335 639 E HA 0.561 4.890 4.350 -0.036 0.000 0.280 639 E C -0.224 176.377 176.600 0.001 0.000 0.918 639 E CA -0.150 56.251 56.400 0.001 0.000 0.765 639 E CB 1.429 31.130 29.700 0.002 0.000 1.218 639 E HN 0.541 nan 8.360 nan 0.000 0.425 640 S N 3.572 119.273 115.700 0.002 0.000 2.509 640 S HA 0.598 5.047 4.470 -0.036 0.000 0.297 640 S C -0.573 174.029 174.600 0.003 0.000 1.118 640 S CA -0.827 57.374 58.200 0.002 0.000 1.074 640 S CB 1.203 64.404 63.200 0.001 0.000 1.038 640 S HN 0.487 nan 8.310 nan 0.000 0.498 641 N N 1.112 119.814 118.700 0.003 0.000 2.480 641 N HA 0.559 5.278 4.740 -0.036 0.000 0.289 641 N C -1.531 173.982 175.510 0.005 0.000 1.073 641 N CA -0.377 52.675 53.050 0.004 0.000 0.885 641 N CB 2.101 40.590 38.487 0.004 0.000 1.421 641 N HN 0.885 nan 8.380 nan 0.000 0.503 642 A N 2.104 124.928 122.820 0.006 0.000 2.356 642 A HA 0.577 4.875 4.320 -0.036 0.000 0.310 642 A C -1.073 176.517 177.584 0.011 0.000 1.075 642 A CA -0.608 51.433 52.037 0.007 0.000 0.746 642 A CB 1.248 20.251 19.000 0.006 0.000 1.221 642 A HN 0.533 nan 8.150 nan 0.000 0.443 643 L N 3.020 124.250 121.223 0.012 0.000 2.282 643 L HA 0.764 5.082 4.340 -0.036 0.000 0.288 643 L C 0.417 177.302 176.870 0.025 0.000 1.033 643 L CA 0.518 55.369 54.840 0.018 0.000 0.807 643 L CB 1.481 43.550 42.059 0.016 0.000 1.209 643 L HN 0.877 nan 8.230 nan 0.000 0.423 644 T N 2.413 116.988 114.554 0.036 0.000 2.907 644 T HA 0.712 5.040 4.350 -0.036 0.000 0.290 644 T C -0.500 174.251 174.700 0.085 0.000 1.066 644 T CA -1.051 61.082 62.100 0.054 0.000 1.012 644 T CB 1.593 70.486 68.868 0.043 0.000 1.184 644 T HN 0.434 nan 8.240 nan 0.000 0.522 645 M N 1.892 121.577 119.600 0.140 0.000 2.197 645 M HA 0.477 4.936 4.480 -0.036 0.000 0.301 645 M C -0.597 175.796 176.300 0.155 0.000 0.987 645 M CA -0.469 54.954 55.300 0.206 0.000 0.921 645 M CB 2.122 34.952 32.600 0.383 0.000 1.569 645 M HN 0.700 nan 8.290 nan 0.000 0.431 646 R N 0.343 120.897 120.500 0.089 0.000 2.832 646 R HA 0.752 5.071 4.340 -0.036 0.000 0.271 646 R C 0.556 176.879 176.300 0.039 0.000 0.996 646 R CA -0.904 55.210 56.100 0.023 0.000 0.977 646 R CB 1.546 31.874 30.300 0.046 0.000 1.168 646 R HN 0.858 nan 8.270 nan 0.000 0.482 647 G N 0.552 109.370 108.800 0.030 0.000 2.630 647 G HA2 -0.046 3.893 3.960 -0.036 0.000 0.236 647 G HA3 -0.046 3.893 3.960 -0.036 0.000 0.236 647 G C 0.297 175.397 174.900 0.333 0.000 1.248 647 G CA -0.277 44.940 45.100 0.194 0.000 0.844 647 G HN 0.586 nan 8.290 nan 0.000 0.588 648 R N 0.577 121.234 120.500 0.262 0.000 2.156 648 R HA 0.303 4.621 4.340 -0.036 0.000 0.207 648 R C 1.470 177.614 176.300 -0.259 0.000 1.040 648 R CA 0.902 57.059 56.100 0.096 0.000 1.013 648 R CB 0.263 30.645 30.300 0.137 0.000 0.931 648 R HN 0.796 nan 8.270 nan 0.000 0.465 649 G N -0.263 108.176 108.800 -0.603 0.000 2.480 649 G HA2 -0.071 3.868 3.960 -0.036 0.000 0.109 649 G HA3 -0.071 3.868 3.960 -0.036 0.000 0.109 649 G C -1.466 173.081 174.900 -0.587 0.000 1.172 649 G CA -0.750 43.521 45.100 -1.382 0.000 1.091 649 G HN -0.076 nan 8.290 nan 0.000 0.464 650 V N 1.633 121.327 119.914 -0.367 0.000 2.385 650 V HA 0.570 4.669 4.120 -0.036 0.000 0.269 650 V C -0.499 175.543 176.094 -0.086 0.000 1.043 650 V CA -0.132 62.096 62.300 -0.120 0.000 0.906 650 V CB 0.654 32.389 31.823 -0.146 0.000 0.995 650 V HN 0.441 nan 8.190 nan 0.000 0.467 651 F N 3.722 123.653 119.950 -0.031 0.000 2.394 651 F HA 0.465 4.971 4.527 -0.036 0.000 0.340 651 F C 0.331 176.132 175.800 0.001 0.000 1.105 651 F CA -0.249 57.753 58.000 0.003 0.000 1.124 651 F CB 1.747 40.797 39.000 0.083 0.000 1.145 651 F HN 0.189 nan 8.300 nan 0.000 0.505 652 V N 4.196 124.175 119.914 0.108 0.000 2.383 652 V HA 0.570 4.668 4.120 -0.036 0.000 0.275 652 V C -0.020 176.191 176.094 0.194 0.000 1.036 652 V CA -0.697 61.667 62.300 0.105 0.000 0.889 652 V CB 0.940 32.781 31.823 0.031 0.000 0.985 652 V HN 0.815 nan 8.190 nan 0.000 0.459 653 A N 7.078 129.991 122.820 0.155 0.000 2.287 653 A HA 0.855 5.154 4.320 -0.036 0.000 0.317 653 A C -0.663 177.000 177.584 0.132 0.000 1.220 653 A CA -0.444 51.671 52.037 0.131 0.000 0.835 653 A CB 0.445 19.449 19.000 0.007 0.000 1.180 653 A HN 0.779 nan 8.150 nan 0.000 0.500 654 I N 2.719 123.393 120.570 0.174 0.000 2.418 654 I HA 0.402 4.550 4.170 -0.036 0.000 0.287 654 I C 0.197 176.361 176.117 0.078 0.000 1.008 654 I CA -0.233 61.186 61.300 0.198 0.000 1.104 654 I CB 2.280 40.499 38.000 0.364 0.000 1.264 654 I HN 0.726 nan 8.210 nan 0.000 0.438 655 S N 6.286 122.044 115.700 0.096 0.000 2.599 655 S HA 0.797 5.245 4.470 -0.036 0.000 0.294 655 S C -2.891 171.724 174.600 0.026 0.000 1.094 655 S CA -1.514 56.714 58.200 0.046 0.000 0.931 655 S CB 2.243 65.564 63.200 0.201 0.000 1.093 655 S HN 0.244 nan 8.310 nan 0.000 0.488 656 P HA 0.375 nan 4.420 nan 0.000 0.287 656 P C 0.613 177.897 177.300 -0.026 0.000 1.296 656 P CA -0.880 62.147 63.100 -0.122 0.000 0.811 656 P CB 0.452 31.961 31.700 -0.318 0.000 1.211 657 W N 0.826 122.150 121.300 0.040 0.000 2.863 657 W HA 0.019 4.657 4.660 -0.038 0.000 0.258 657 W C 0.714 177.246 176.519 0.020 0.000 1.298 657 W CA 0.498 57.862 57.345 0.032 0.000 1.451 657 W CB -1.466 28.004 29.460 0.016 0.000 1.107 657 W HN 0.253 nan 8.180 nan 0.000 0.641 658 N N 1.458 119.870 118.700 -0.480 0.000 2.376 658 N HA -0.118 4.601 4.740 -0.036 0.000 0.177 658 N C -0.224 174.979 175.510 -0.512 0.000 1.024 658 N CA 0.490 53.248 53.050 -0.487 0.000 0.893 658 N CB -1.066 36.954 38.487 -0.778 0.000 0.980 658 N HN 0.070 nan 8.380 nan 0.000 0.439 659 F N 0.311 120.233 119.950 -0.047 0.000 2.622 659 F HA 0.444 4.949 4.527 -0.036 0.000 0.338 659 F C -1.833 174.006 175.800 0.065 0.000 1.334 659 F CA -2.009 56.005 58.000 0.023 0.000 1.179 659 F CB 2.109 41.116 39.000 0.011 0.000 1.471 659 F HN -0.119 nan 8.300 nan 0.000 0.576 660 P HA -0.111 nan 4.420 nan 0.000 0.226 660 P C 1.421 178.808 177.300 0.144 0.000 1.153 660 P CA 0.843 64.030 63.100 0.145 0.000 0.777 660 P CB 0.632 32.392 31.700 0.101 0.000 0.794 661 L N -1.094 120.243 121.223 0.189 0.000 2.435 661 L HA 0.410 4.729 4.340 -0.036 0.000 0.195 661 L C 2.242 179.262 176.870 0.250 0.000 1.072 661 L CA 1.289 56.242 54.840 0.189 0.000 0.833 661 L CB -1.326 40.819 42.059 0.144 0.000 1.081 661 L HN -0.171 nan 8.230 nan 0.000 0.485 662 A N -0.085 122.889 122.820 0.256 0.000 1.897 662 A HA -0.038 4.261 4.320 -0.036 0.000 0.215 662 A C 2.223 179.924 177.584 0.195 0.000 1.181 662 A CA 1.848 54.050 52.037 0.275 0.000 0.620 662 A CB -0.769 18.399 19.000 0.280 0.000 0.821 662 A HN 0.457 nan 8.150 nan 0.000 0.443 663 I N -1.762 118.910 120.570 0.169 0.000 2.353 663 I HA -0.164 3.984 4.170 -0.036 0.000 0.248 663 I C 2.314 178.438 176.117 0.012 0.000 1.119 663 I CA 1.120 62.433 61.300 0.021 0.000 1.417 663 I CB -0.296 37.749 38.000 0.074 0.000 1.078 663 I HN 0.458 nan 8.210 nan 0.000 0.421 664 F N 1.784 121.736 119.950 0.003 0.000 2.043 664 F HA -0.274 4.232 4.527 -0.035 0.000 0.297 664 F C 2.217 177.997 175.800 -0.034 0.000 1.121 664 F CA 1.901 59.903 58.000 0.003 0.000 1.199 664 F CB -0.277 38.747 39.000 0.039 0.000 0.968 664 F HN -0.121 nan 8.300 nan 0.000 0.478 665 L N -0.316 120.950 121.223 0.073 0.000 2.109 665 L HA -0.059 4.259 4.340 -0.036 0.000 0.207 665 L C 2.773 179.538 176.870 -0.177 0.000 1.086 665 L CA 1.039 55.852 54.840 -0.045 0.000 0.760 665 L CB -1.462 40.664 42.059 0.113 0.000 0.910 665 L HN 0.385 nan 8.230 nan 0.000 0.437 666 G N -0.521 108.062 108.800 -0.361 0.000 2.459 666 G HA2 -0.290 3.648 3.960 -0.036 0.000 0.217 666 G HA3 -0.290 3.648 3.960 -0.036 0.000 0.217 666 G C 1.450 176.167 174.900 -0.305 0.000 1.183 666 G CA 0.507 45.156 45.100 -0.753 0.000 0.776 666 G HN 0.381 nan 8.290 nan 0.000 0.552 667 Q N -0.297 119.346 119.800 -0.262 0.000 2.084 667 Q HA -0.052 4.267 4.340 -0.036 0.000 0.202 667 Q C 2.888 178.732 176.000 -0.259 0.000 0.978 667 Q CA 1.343 57.069 55.803 -0.128 0.000 0.844 667 Q CB -0.278 28.428 28.738 -0.055 0.000 0.898 667 Q HN 0.396 nan 8.270 nan 0.000 0.426 668 V N 1.121 120.836 119.914 -0.332 0.000 2.307 668 V HA -0.241 3.857 4.120 -0.036 0.000 0.245 668 V C 2.633 178.564 176.094 -0.272 0.000 1.045 668 V CA 2.209 64.305 62.300 -0.340 0.000 1.024 668 V CB -1.049 30.478 31.823 -0.493 0.000 0.651 668 V HN 0.604 nan 8.190 nan 0.000 0.449 669 T N -1.213 113.223 114.554 -0.196 0.000 2.867 669 T HA -0.074 4.255 4.350 -0.036 0.000 0.268 669 T C 1.894 176.476 174.700 -0.197 0.000 1.057 669 T CA 1.336 63.380 62.100 -0.093 0.000 1.136 669 T CB -0.376 68.529 68.868 0.063 0.000 0.874 669 T HN 0.438 nan 8.240 nan 0.000 0.466 670 A N 2.159 124.712 122.820 -0.445 0.000 1.858 670 A HA 0.303 4.602 4.320 -0.036 0.000 0.216 670 A C 2.880 179.811 177.584 -1.090 0.000 1.190 670 A CA 1.997 53.470 52.037 -0.941 0.000 0.617 670 A CB -1.532 16.706 19.000 -1.269 0.000 0.827 670 A HN 0.743 nan 8.150 nan 0.000 0.443 671 A N -0.287 121.844 122.820 -1.148 0.000 1.883 671 A HA -0.093 4.205 4.320 -0.036 0.000 0.217 671 A C 2.213 179.616 177.584 -0.301 0.000 1.186 671 A CA 1.623 53.169 52.037 -0.819 0.000 0.624 671 A CB -0.737 17.976 19.000 -0.478 0.000 0.822 671 A HN 0.480 nan 8.150 nan 0.000 0.444 672 L N -1.833 119.301 121.223 -0.149 0.000 2.012 672 L HA -0.236 4.082 4.340 -0.036 0.000 0.210 672 L C 2.780 179.795 176.870 0.242 0.000 1.073 672 L CA 1.914 56.856 54.840 0.170 0.000 0.748 672 L CB -0.437 41.665 42.059 0.070 0.000 0.891 672 L HN 0.499 nan 8.230 nan 0.000 0.431 673 M N 0.060 119.659 119.600 -0.002 0.000 2.159 673 M HA -0.129 4.330 4.480 -0.036 0.000 0.263 673 M C 2.062 178.206 176.300 -0.260 0.000 1.063 673 M CA 1.958 57.240 55.300 -0.030 0.000 1.110 673 M CB -0.405 32.205 32.600 0.016 0.000 1.374 673 M HN 0.167 nan 8.290 nan 0.000 0.411 674 A N -1.144 121.451 122.820 -0.375 0.000 2.209 674 A HA 0.415 4.714 4.320 -0.036 0.000 0.212 674 A C 1.693 178.912 177.584 -0.609 0.000 1.158 674 A CA 0.799 52.383 52.037 -0.754 0.000 0.742 674 A CB -1.123 17.678 19.000 -0.332 0.000 0.790 674 A HN 1.002 nan 8.150 nan 0.000 0.472 675 G N -1.051 107.564 108.800 -0.308 0.000 2.148 675 G HA2 -0.185 3.754 3.960 -0.036 0.000 0.203 675 G HA3 -0.185 3.754 3.960 -0.036 0.000 0.203 675 G C -0.242 174.783 174.900 0.209 0.000 0.993 675 G CA -0.053 44.899 45.100 -0.247 0.000 0.661 675 G HN 0.482 nan 8.290 nan 0.000 0.518 676 N N 0.889 119.789 118.700 0.334 0.000 2.508 676 N HA 0.541 5.259 4.740 -0.036 0.000 0.285 676 N C 0.620 176.439 175.510 0.516 0.000 1.144 676 N CA 0.397 53.740 53.050 0.489 0.000 0.978 676 N CB 1.530 40.238 38.487 0.368 0.000 1.180 676 N HN 0.552 nan 8.380 nan 0.000 0.484 677 S N -0.212 115.775 115.700 0.478 0.000 2.632 677 S HA 0.574 5.023 4.470 -0.036 0.000 0.267 677 S C -0.021 174.687 174.600 0.180 0.000 1.276 677 S CA -0.616 57.735 58.200 0.251 0.000 0.998 677 S CB 1.063 64.428 63.200 0.275 0.000 0.953 677 S HN 0.266 nan 8.310 nan 0.000 0.547 678 V N 1.181 121.163 119.914 0.113 0.000 2.760 678 V HA 0.477 4.575 4.120 -0.036 0.000 0.309 678 V C -0.809 175.363 176.094 0.132 0.000 1.077 678 V CA -0.811 61.555 62.300 0.109 0.000 0.910 678 V CB 1.968 33.806 31.823 0.026 0.000 1.008 678 V HN 0.838 nan 8.190 nan 0.000 0.424 679 V N 3.545 123.526 119.914 0.112 0.000 2.357 679 V HA 0.786 4.884 4.120 -0.036 0.000 0.284 679 V C 0.361 176.519 176.094 0.106 0.000 1.018 679 V CA -0.375 61.996 62.300 0.118 0.000 0.841 679 V CB 1.520 33.371 31.823 0.047 0.000 0.991 679 V HN 1.019 nan 8.190 nan 0.000 0.437 680 A N 5.092 127.989 122.820 0.128 0.000 2.304 680 A HA 0.729 5.027 4.320 -0.036 0.000 0.323 680 A C -0.260 177.451 177.584 0.213 0.000 1.195 680 A CA -0.654 51.463 52.037 0.134 0.000 0.826 680 A CB 0.942 19.987 19.000 0.075 0.000 1.184 680 A HN 0.681 nan 8.150 nan 0.000 0.496 681 K N 4.370 124.895 120.400 0.207 0.000 2.425 681 K HA 0.453 4.751 4.320 -0.036 0.000 0.259 681 K C -2.856 173.890 176.600 0.244 0.000 0.978 681 K CA -1.980 54.432 56.287 0.208 0.000 0.883 681 K CB 1.874 34.471 32.500 0.162 0.000 1.110 681 K HN 0.508 nan 8.250 nan 0.000 0.436 682 P HA 0.137 nan 4.420 nan 0.000 0.278 682 P C -0.731 176.670 177.300 0.168 0.000 1.258 682 P CA -0.502 62.734 63.100 0.227 0.000 0.811 682 P CB 0.797 32.556 31.700 0.098 0.000 1.063 683 A N 0.908 123.831 122.820 0.170 0.000 2.531 683 A HA -0.045 4.254 4.320 -0.036 0.000 0.236 683 A C 1.596 179.265 177.584 0.141 0.000 1.062 683 A CA 0.040 52.187 52.037 0.184 0.000 0.760 683 A CB -0.705 18.455 19.000 0.266 0.000 0.995 683 A HN 0.712 nan 8.150 nan 0.000 0.501 684 E N 0.788 121.063 120.200 0.124 0.000 2.171 684 E HA -0.274 4.054 4.350 -0.036 0.000 0.197 684 E C 1.599 178.229 176.600 0.050 0.000 0.997 684 E CA 1.954 58.401 56.400 0.077 0.000 0.810 684 E CB 0.024 29.762 29.700 0.062 0.000 0.738 684 E HN 0.844 nan 8.360 nan 0.000 0.467 685 Q N -0.847 118.986 119.800 0.056 0.000 2.297 685 Q HA -0.049 4.269 4.340 -0.036 0.000 0.204 685 Q C 0.903 176.921 176.000 0.029 0.000 0.962 685 Q CA 1.516 57.323 55.803 0.007 0.000 0.879 685 Q CB 0.478 29.178 28.738 -0.065 0.000 0.947 685 Q HN 0.189 nan 8.270 nan 0.000 0.462 686 T N -3.677 110.917 114.554 0.067 0.000 3.624 686 T HA 0.276 4.604 4.350 -0.036 0.000 0.244 686 T C -2.315 172.382 174.700 -0.005 0.000 1.063 686 T CA -1.255 60.870 62.100 0.043 0.000 1.252 686 T CB 0.788 69.711 68.868 0.092 0.000 1.021 686 T HN -0.024 nan 8.240 nan 0.000 0.590 687 P HA -0.028 nan 4.420 nan 0.000 0.224 687 P C 1.882 179.145 177.300 -0.061 0.000 1.157 687 P CA 0.851 63.933 63.100 -0.031 0.000 0.799 687 P CB 0.120 31.821 31.700 0.002 0.000 0.809 688 R N 0.891 121.363 120.500 -0.047 0.000 2.070 688 R HA -0.063 4.255 4.340 -0.036 0.000 0.233 688 R C 2.269 178.528 176.300 -0.068 0.000 1.137 688 R CA 1.679 57.749 56.100 -0.050 0.000 0.945 688 R CB -2.080 28.192 30.300 -0.047 0.000 0.845 688 R HN 0.260 nan 8.270 nan 0.000 0.430 689 I N 0.007 120.532 120.570 -0.074 0.000 2.361 689 I HA -0.153 3.996 4.170 -0.036 0.000 0.251 689 I C 2.688 178.730 176.117 -0.126 0.000 1.133 689 I CA 1.405 62.678 61.300 -0.045 0.000 1.413 689 I CB -0.210 37.793 38.000 0.006 0.000 1.073 689 I HN 0.448 nan 8.210 nan 0.000 0.424 690 A N 0.800 123.427 122.820 -0.323 0.000 1.902 690 A HA -0.273 4.026 4.320 -0.036 0.000 0.217 690 A C 2.445 179.805 177.584 -0.374 0.000 1.181 690 A CA 1.883 53.462 52.037 -0.763 0.000 0.623 690 A CB -0.695 17.811 19.000 -0.823 0.000 0.818 690 A HN 0.491 nan 8.150 nan 0.000 0.443 691 R N -0.471 119.939 120.500 -0.150 0.000 2.096 691 R HA -0.130 4.188 4.340 -0.036 0.000 0.235 691 R C 1.989 178.304 176.300 0.024 0.000 1.127 691 R CA 1.498 57.582 56.100 -0.027 0.000 0.968 691 R CB -0.170 30.129 30.300 -0.001 0.000 0.861 691 R HN 0.530 nan 8.270 nan 0.000 0.440 692 E N 0.208 120.431 120.200 0.038 0.000 2.077 692 E HA -0.182 4.147 4.350 -0.036 0.000 0.193 692 E C 1.906 178.664 176.600 0.262 0.000 0.989 692 E CA 1.278 57.756 56.400 0.131 0.000 0.800 692 E CB -0.207 29.541 29.700 0.080 0.000 0.746 692 E HN 0.456 nan 8.360 nan 0.000 0.452 693 A N 1.177 124.140 122.820 0.238 0.000 1.877 693 A HA -0.145 4.153 4.320 -0.036 0.000 0.216 693 A C 2.641 180.315 177.584 0.151 0.000 1.186 693 A CA 1.519 53.687 52.037 0.218 0.000 0.620 693 A CB -0.801 18.303 19.000 0.174 0.000 0.822 693 A HN 0.125 nan 8.150 nan 0.000 0.443 694 V N -0.066 119.921 119.914 0.121 0.000 2.287 694 V HA -0.284 3.815 4.120 -0.036 0.000 0.248 694 V C 3.068 179.070 176.094 -0.153 0.000 1.053 694 V CA 2.076 64.359 62.300 -0.029 0.000 1.027 694 V CB -1.256 30.579 31.823 0.019 0.000 0.646 694 V HN 0.629 nan 8.190 nan 0.000 0.447 695 A N -0.584 122.254 122.820 0.030 0.000 1.933 695 A HA -0.205 4.094 4.320 -0.036 0.000 0.218 695 A C 2.250 179.890 177.584 0.094 0.000 1.175 695 A CA 2.105 54.204 52.037 0.104 0.000 0.628 695 A CB -0.530 18.536 19.000 0.110 0.000 0.814 695 A HN 0.533 nan 8.150 nan 0.000 0.444 696 L N -0.736 120.552 121.223 0.109 0.000 2.056 696 L HA -0.093 4.226 4.340 -0.036 0.000 0.207 696 L C 2.364 179.265 176.870 0.052 0.000 1.078 696 L CA 1.197 56.108 54.840 0.120 0.000 0.749 696 L CB -0.194 41.983 42.059 0.195 0.000 0.901 696 L HN 0.405 nan 8.230 nan 0.000 0.433 697 L N -0.973 120.238 121.223 -0.020 0.000 2.046 697 L HA -0.238 4.080 4.340 -0.036 0.000 0.208 697 L C 2.727 179.564 176.870 -0.056 0.000 1.077 697 L CA 0.872 55.669 54.840 -0.072 0.000 0.747 697 L CB -0.898 41.066 42.059 -0.159 0.000 0.896 697 L HN 0.393 nan 8.230 nan 0.000 0.432 698 H N -0.441 118.615 119.070 -0.025 0.000 2.352 698 H HA -0.224 4.311 4.556 -0.036 0.000 0.299 698 H C 2.106 177.423 175.328 -0.019 0.000 1.097 698 H CA 1.685 57.701 56.048 -0.053 0.000 1.311 698 H CB -0.159 29.568 29.762 -0.059 0.000 1.377 698 H HN 0.421 nan 8.280 nan 0.000 0.504 699 E N 0.569 120.849 120.200 0.134 0.000 2.204 699 E HA -0.080 4.248 4.350 -0.036 0.000 0.195 699 E C 2.052 178.699 176.600 0.079 0.000 0.990 699 E CA 0.707 57.162 56.400 0.091 0.000 0.821 699 E CB 0.061 29.811 29.700 0.084 0.000 0.750 699 E HN 0.398 nan 8.360 nan 0.000 0.477 700 A N -0.230 122.634 122.820 0.074 0.000 2.167 700 A HA 0.187 4.485 4.320 -0.036 0.000 0.214 700 A C 1.723 179.351 177.584 0.074 0.000 1.151 700 A CA 1.099 53.181 52.037 0.074 0.000 0.735 700 A CB -0.021 19.020 19.000 0.068 0.000 0.802 700 A HN 0.468 nan 8.150 nan 0.000 0.467 701 G N -1.590 107.252 108.800 0.069 0.000 2.273 701 G HA2 -0.071 3.868 3.960 -0.036 0.000 0.162 701 G HA3 -0.071 3.868 3.960 -0.036 0.000 0.162 701 G C -0.111 174.823 174.900 0.057 0.000 1.006 701 G CA -0.155 44.992 45.100 0.079 0.000 0.704 701 G HN 0.188 nan 8.290 nan 0.000 0.487 702 I N 2.452 123.015 120.570 -0.011 0.000 2.452 702 I HA 0.260 4.409 4.170 -0.036 0.000 0.287 702 I C -1.906 174.151 176.117 -0.099 0.000 1.079 702 I CA -2.579 58.605 61.300 -0.194 0.000 1.387 702 I CB 0.189 38.044 38.000 -0.241 0.000 1.404 702 I HN -0.106 nan 8.210 nan 0.000 0.522 703 P HA 0.057 nan 4.420 nan 0.000 0.266 703 P C 0.696 177.873 177.300 -0.205 0.000 1.195 703 P CA -0.250 62.762 63.100 -0.148 0.000 0.768 703 P CB 0.598 32.238 31.700 -0.101 0.000 0.838 704 K N 1.312 121.517 120.400 -0.325 0.000 2.211 704 K HA -0.104 4.194 4.320 -0.036 0.000 0.204 704 K C 1.585 177.910 176.600 -0.459 0.000 1.047 704 K CA 1.809 57.749 56.287 -0.577 0.000 0.935 704 K CB -0.856 31.355 32.500 -0.482 0.000 0.728 704 K HN 0.571 nan 8.250 nan 0.000 0.452 705 S N -0.318 115.273 115.700 -0.181 0.000 2.562 705 S HA 0.149 4.598 4.470 -0.036 0.000 0.221 705 S C 1.789 176.453 174.600 0.106 0.000 0.975 705 S CA 0.489 58.720 58.200 0.051 0.000 0.918 705 S CB 0.250 63.511 63.200 0.101 0.000 0.772 705 S HN 0.240 nan 8.310 nan 0.000 0.531 706 A N 0.237 122.992 122.820 -0.109 0.000 2.252 706 A HA 0.646 4.944 4.320 -0.036 0.000 0.213 706 A C 0.317 177.820 177.584 -0.136 0.000 1.188 706 A CA -0.073 51.857 52.037 -0.178 0.000 0.863 706 A CB 0.109 18.706 19.000 -0.672 0.000 0.893 706 A HN 0.519 nan 8.150 nan 0.000 0.495 707 L N -0.478 120.652 121.223 -0.156 0.000 2.528 707 L HA 0.643 4.962 4.340 -0.036 0.000 0.267 707 L C -2.176 174.582 176.870 -0.186 0.000 0.961 707 L CA -0.643 54.142 54.840 -0.093 0.000 0.866 707 L CB 1.271 43.230 42.059 -0.166 0.000 1.248 707 L HN 0.171 nan 8.230 nan 0.000 0.404 708 Y N 4.620 124.963 120.300 0.072 0.000 2.425 708 Y HA 0.653 5.181 4.550 -0.036 0.000 0.344 708 Y C -0.651 175.310 175.900 0.102 0.000 0.969 708 Y CA -0.770 57.387 58.100 0.096 0.000 1.052 708 Y CB 2.193 40.688 38.460 0.059 0.000 1.215 708 Y HN 0.545 nan 8.280 nan 0.000 0.451 709 L N 3.871 125.244 121.223 0.250 0.000 2.275 709 L HA 0.725 5.043 4.340 -0.036 0.000 0.288 709 L C -1.184 175.800 176.870 0.189 0.000 1.046 709 L CA -0.439 54.531 54.840 0.215 0.000 0.805 709 L CB 0.906 43.074 42.059 0.183 0.000 1.193 709 L HN 0.466 nan 8.230 nan 0.000 0.426 710 V N 3.960 123.976 119.914 0.170 0.000 2.407 710 V HA 0.508 4.606 4.120 -0.036 0.000 0.291 710 V C 0.126 176.294 176.094 0.124 0.000 1.018 710 V CA -0.442 61.939 62.300 0.134 0.000 0.842 710 V CB 1.795 33.687 31.823 0.116 0.000 0.996 710 V HN 0.888 nan 8.190 nan 0.000 0.426 711 T N 1.597 116.212 114.554 0.102 0.000 2.934 711 T HA 0.954 5.282 4.350 -0.036 0.000 0.283 711 T C 0.213 174.961 174.700 0.081 0.000 1.005 711 T CA 0.077 62.231 62.100 0.090 0.000 1.041 711 T CB 2.001 70.910 68.868 0.069 0.000 1.042 711 T HN 1.471 nan 8.240 nan 0.000 0.505 712 G N 1.621 110.468 108.800 0.079 0.000 2.352 712 G HA2 0.383 4.321 3.960 -0.036 0.000 0.283 712 G HA3 0.383 4.321 3.960 -0.036 0.000 0.283 712 G C -1.575 173.372 174.900 0.077 0.000 1.308 712 G CA -0.159 44.983 45.100 0.071 0.000 0.892 712 G HN 0.971 nan 8.290 nan 0.000 0.504 713 D N -0.703 119.739 120.400 0.070 0.000 2.496 713 D HA 0.504 5.123 4.640 -0.036 0.000 0.283 713 D C 1.781 178.132 176.300 0.086 0.000 1.214 713 D CA 0.434 54.478 54.000 0.074 0.000 1.089 713 D CB -0.176 40.658 40.800 0.057 0.000 1.141 713 D HN 1.006 nan 8.370 nan 0.000 0.580 714 G N -2.095 106.755 108.800 0.085 0.000 2.509 714 G HA2 -0.088 3.850 3.960 -0.036 0.000 0.218 714 G HA3 -0.088 3.850 3.960 -0.036 0.000 0.218 714 G C 1.698 176.639 174.900 0.070 0.000 1.124 714 G CA 1.136 46.289 45.100 0.088 0.000 0.776 714 G HN 0.599 nan 8.290 nan 0.000 0.547 715 R N 0.650 121.187 120.500 0.061 0.000 2.093 715 R HA 0.255 4.573 4.340 -0.036 0.000 0.224 715 R C 2.210 178.549 176.300 0.064 0.000 1.101 715 R CA 1.131 57.263 56.100 0.053 0.000 0.979 715 R CB -0.746 29.580 30.300 0.043 0.000 0.877 715 R HN 0.340 nan 8.270 nan 0.000 0.441 716 I N 1.132 121.745 120.570 0.072 0.000 2.315 716 I HA -0.077 4.072 4.170 -0.036 0.000 0.248 716 I C 2.761 178.933 176.117 0.092 0.000 1.117 716 I CA 1.643 62.994 61.300 0.084 0.000 1.404 716 I CB -1.415 36.636 38.000 0.084 0.000 1.071 716 I HN 0.429 nan 8.210 nan 0.000 0.419 717 G N 0.679 109.536 108.800 0.095 0.000 2.442 717 G HA2 -0.210 3.728 3.960 -0.036 0.000 0.219 717 G HA3 -0.210 3.728 3.960 -0.036 0.000 0.219 717 G C 1.853 176.798 174.900 0.075 0.000 1.141 717 G CA 0.965 46.126 45.100 0.101 0.000 0.763 717 G HN 0.482 nan 8.290 nan 0.000 0.554 718 A N 1.167 124.025 122.820 0.062 0.000 1.898 718 A HA 0.314 4.612 4.320 -0.036 0.000 0.216 718 A C 2.828 180.448 177.584 0.060 0.000 1.181 718 A CA 2.121 54.184 52.037 0.043 0.000 0.620 718 A CB -0.794 18.226 19.000 0.033 0.000 0.819 718 A HN 0.780 nan 8.150 nan 0.000 0.442 719 A N -0.087 122.787 122.820 0.090 0.000 1.908 719 A HA -0.086 4.213 4.320 -0.036 0.000 0.218 719 A C 2.176 179.838 177.584 0.131 0.000 1.181 719 A CA 1.574 53.703 52.037 0.153 0.000 0.627 719 A CB -0.618 18.498 19.000 0.194 0.000 0.818 719 A HN 0.487 nan 8.150 nan 0.000 0.445 720 L N -0.272 120.999 121.223 0.080 0.000 2.017 720 L HA -0.165 4.154 4.340 -0.036 0.000 0.208 720 L C 3.008 179.885 176.870 0.011 0.000 1.073 720 L CA 1.932 56.787 54.840 0.024 0.000 0.745 720 L CB -1.139 40.939 42.059 0.032 0.000 0.894 720 L HN 0.649 nan 8.230 nan 0.000 0.432 721 T N -2.763 111.801 114.554 0.017 0.000 2.962 721 T HA -0.030 4.298 4.350 -0.036 0.000 0.270 721 T C 1.712 176.405 174.700 -0.012 0.000 1.088 721 T CA 0.845 62.938 62.100 -0.011 0.000 1.127 721 T CB -0.148 68.706 68.868 -0.024 0.000 0.883 721 T HN 0.309 nan 8.240 nan 0.000 0.493 722 A N 0.601 123.430 122.820 0.015 0.000 2.132 722 A HA 0.127 4.426 4.320 -0.036 0.000 0.213 722 A C 1.172 178.761 177.584 0.007 0.000 1.154 722 A CA -0.183 51.859 52.037 0.010 0.000 0.753 722 A CB -0.751 18.265 19.000 0.027 0.000 0.826 722 A HN 0.676 nan 8.150 nan 0.000 0.469 723 H N 1.550 120.560 119.070 -0.099 0.000 3.070 723 H HA 0.037 4.572 4.556 -0.036 0.000 0.313 723 H C -1.506 173.746 175.328 -0.126 0.000 0.997 723 H CA -0.896 55.048 56.048 -0.173 0.000 1.438 723 H CB 1.132 30.693 29.762 -0.335 0.000 1.455 723 H HN 0.153 nan 8.280 nan 0.000 0.575 724 P HA -0.100 nan 4.420 nan 0.000 0.222 724 P C 0.353 177.676 177.300 0.039 0.000 1.147 724 P CA 0.880 63.946 63.100 -0.056 0.000 0.790 724 P CB 0.529 32.156 31.700 -0.121 0.000 0.780 725 D N 0.058 120.605 120.400 0.244 0.000 2.339 725 D HA 0.099 4.718 4.640 -0.036 0.000 0.217 725 D C 1.156 177.422 176.300 -0.055 0.000 1.050 725 D CA -0.030 54.026 54.000 0.094 0.000 0.856 725 D CB -0.185 40.693 40.800 0.131 0.000 0.922 725 D HN 0.365 nan 8.370 nan 0.000 0.518 726 I N -2.282 118.245 120.570 -0.072 0.000 2.662 726 I HA 0.432 4.581 4.170 -0.036 0.000 0.291 726 I C 0.963 176.934 176.117 -0.243 0.000 1.046 726 I CA -0.673 60.515 61.300 -0.187 0.000 1.361 726 I CB 1.565 39.455 38.000 -0.183 0.000 1.429 726 I HN -0.257 nan 8.210 nan 0.000 0.558 727 A N 3.744 126.351 122.820 -0.355 0.000 2.348 727 A HA 0.726 5.025 4.320 -0.036 0.000 0.224 727 A C 0.855 178.060 177.584 -0.632 0.000 1.227 727 A CA 0.370 52.166 52.037 -0.402 0.000 0.885 727 A CB -0.489 18.289 19.000 -0.370 0.000 0.933 727 A HN 1.268 nan 8.150 nan 0.000 0.506 728 G N -1.970 106.320 108.800 -0.851 0.000 2.325 728 G HA2 0.448 4.387 3.960 -0.036 0.000 0.297 728 G HA3 0.448 4.387 3.960 -0.036 0.000 0.297 728 G C -1.850 172.532 174.900 -0.864 0.000 1.448 728 G CA -0.166 44.287 45.100 -1.079 0.000 0.838 728 G HN 0.545 nan 8.290 nan 0.000 0.579 729 V N 0.064 119.771 119.914 -0.346 0.000 2.577 729 V HA 0.678 4.777 4.120 -0.036 0.000 0.303 729 V C -0.443 175.787 176.094 0.227 0.000 1.042 729 V CA -0.849 61.458 62.300 0.012 0.000 0.872 729 V CB 1.581 33.396 31.823 -0.013 0.000 0.998 729 V HN 1.144 nan 8.190 nan 0.000 0.423 730 V N 6.739 126.868 119.914 0.358 0.000 2.357 730 V HA 0.705 4.803 4.120 -0.036 0.000 0.284 730 V C -1.266 175.006 176.094 0.296 0.000 1.018 730 V CA -0.338 62.139 62.300 0.295 0.000 0.841 730 V CB 1.175 33.199 31.823 0.334 0.000 0.991 730 V HN 0.723 nan 8.190 nan 0.000 0.437 731 F N 5.041 125.058 119.950 0.111 0.000 2.540 731 F HA 0.796 5.302 4.527 -0.035 0.000 0.317 731 F C -0.266 175.592 175.800 0.097 0.000 1.104 731 F CA -0.089 57.967 58.000 0.093 0.000 0.913 731 F CB 2.414 41.455 39.000 0.068 0.000 1.170 731 F HN 0.437 nan 8.300 nan 0.000 0.450 732 T N 4.472 118.521 114.554 -0.841 0.000 2.881 732 T HA 0.781 5.109 4.350 -0.036 0.000 0.291 732 T C -0.237 173.806 174.700 -1.096 0.000 0.990 732 T CA -0.303 61.371 62.100 -0.709 0.000 0.976 732 T CB 1.176 69.897 68.868 -0.244 0.000 0.970 732 T HN 1.127 nan 8.240 nan 0.000 0.438 733 G N 1.776 110.080 108.800 -0.828 0.000 2.392 733 G HA2 0.466 4.404 3.960 -0.036 0.000 0.260 733 G HA3 0.466 4.404 3.960 -0.036 0.000 0.260 733 G C -0.695 174.246 174.900 0.068 0.000 1.226 733 G CA -0.285 44.574 45.100 -0.402 0.000 0.913 733 G HN 0.928 nan 8.290 nan 0.000 0.483 734 S N -0.270 115.569 115.700 0.232 0.000 2.564 734 S HA 0.408 4.856 4.470 -0.036 0.000 0.278 734 S C 1.396 176.153 174.600 0.261 0.000 1.333 734 S CA 1.038 59.348 58.200 0.184 0.000 1.048 734 S CB 1.244 64.525 63.200 0.135 0.000 0.900 734 S HN 0.846 nan 8.310 nan 0.000 0.505 735 T N 2.526 117.206 114.554 0.210 0.000 2.737 735 T HA -0.121 4.208 4.350 -0.036 0.000 0.269 735 T C 2.274 177.040 174.700 0.110 0.000 1.040 735 T CA 2.123 64.336 62.100 0.187 0.000 1.142 735 T CB -0.976 68.022 68.868 0.217 0.000 0.861 735 T HN 0.940 nan 8.240 nan 0.000 0.456 736 E N 0.640 120.901 120.200 0.101 0.000 2.072 736 E HA -0.061 4.268 4.350 -0.036 0.000 0.191 736 E C 2.393 178.998 176.600 0.010 0.000 0.985 736 E CA 1.295 57.727 56.400 0.053 0.000 0.801 736 E CB -1.118 28.619 29.700 0.061 0.000 0.750 736 E HN 0.433 nan 8.360 nan 0.000 0.452 737 V N 0.899 120.829 119.914 0.026 0.000 2.427 737 V HA -0.101 3.998 4.120 -0.036 0.000 0.248 737 V C 2.931 178.832 176.094 -0.321 0.000 1.051 737 V CA 1.647 63.902 62.300 -0.075 0.000 1.048 737 V CB -0.637 31.219 31.823 0.055 0.000 0.666 737 V HN 0.672 nan 8.190 nan 0.000 0.456 738 A N 0.037 122.657 122.820 -0.333 0.000 1.883 738 A HA -0.237 4.061 4.320 -0.036 0.000 0.217 738 A C 2.391 179.838 177.584 -0.228 0.000 1.186 738 A CA 1.810 53.588 52.037 -0.433 0.000 0.624 738 A CB -0.505 18.443 19.000 -0.086 0.000 0.822 738 A HN 0.480 nan 8.150 nan 0.000 0.444 739 R N -0.632 119.798 120.500 -0.116 0.000 2.096 739 R HA -0.112 4.206 4.340 -0.036 0.000 0.235 739 R C 2.650 178.895 176.300 -0.091 0.000 1.127 739 R CA 1.455 57.506 56.100 -0.080 0.000 0.968 739 R CB -0.424 29.850 30.300 -0.044 0.000 0.861 739 R HN 0.607 nan 8.270 nan 0.000 0.440 740 S N 0.891 116.530 115.700 -0.103 0.000 2.368 740 S HA -0.110 4.339 4.470 -0.036 0.000 0.225 740 S C 1.983 176.516 174.600 -0.112 0.000 1.030 740 S CA 0.955 59.101 58.200 -0.089 0.000 0.999 740 S CB -0.101 63.054 63.200 -0.075 0.000 0.844 740 S HN 0.212 nan 8.310 nan 0.000 0.459 741 I N 1.837 122.300 120.570 -0.180 0.000 2.179 741 I HA -0.177 3.971 4.170 -0.036 0.000 0.242 741 I C 2.599 178.638 176.117 -0.130 0.000 1.088 741 I CA 1.482 62.674 61.300 -0.179 0.000 1.357 741 I CB -0.517 37.303 38.000 -0.299 0.000 1.051 741 I HN 0.371 nan 8.210 nan 0.000 0.409 742 N N 1.119 119.742 118.700 -0.129 0.000 2.104 742 N HA -0.195 4.524 4.740 -0.036 0.000 0.190 742 N C 1.930 177.397 175.510 -0.072 0.000 1.024 742 N CA 1.606 54.602 53.050 -0.091 0.000 0.853 742 N CB -0.055 38.385 38.487 -0.078 0.000 1.008 742 N HN 0.170 nan 8.380 nan 0.000 0.424 743 R N -0.242 120.218 120.500 -0.067 0.000 2.075 743 R HA 0.046 4.364 4.340 -0.036 0.000 0.232 743 R C 2.227 178.498 176.300 -0.050 0.000 1.126 743 R CA 1.339 57.407 56.100 -0.052 0.000 0.963 743 R CB -0.417 29.856 30.300 -0.045 0.000 0.858 743 R HN 0.245 nan 8.270 nan 0.000 0.435 744 A N 1.015 123.802 122.820 -0.054 0.000 1.933 744 A HA -0.141 4.158 4.320 -0.036 0.000 0.218 744 A C 2.131 179.685 177.584 -0.050 0.000 1.175 744 A CA 1.210 53.219 52.037 -0.047 0.000 0.628 744 A CB -0.527 18.446 19.000 -0.045 0.000 0.814 744 A HN 0.183 nan 8.150 nan 0.000 0.444 745 L N -0.924 120.262 121.223 -0.061 0.000 2.027 745 L HA -0.173 4.145 4.340 -0.036 0.000 0.206 745 L C 3.075 179.911 176.870 -0.058 0.000 1.074 745 L CA 1.131 55.932 54.840 -0.065 0.000 0.745 745 L CB -0.558 41.454 42.059 -0.079 0.000 0.898 745 L HN 0.421 nan 8.230 nan 0.000 0.433 746 A N -0.129 122.659 122.820 -0.053 0.000 2.019 746 A HA -0.109 4.189 4.320 -0.036 0.000 0.219 746 A C 2.475 180.035 177.584 -0.040 0.000 1.164 746 A CA 1.486 53.496 52.037 -0.046 0.000 0.644 746 A CB -0.564 18.410 19.000 -0.042 0.000 0.805 746 A HN 0.418 nan 8.150 nan 0.000 0.449 747 A N 0.065 122.861 122.820 -0.039 0.000 1.969 747 A HA -0.023 4.276 4.320 -0.036 0.000 0.218 747 A C 1.293 178.857 177.584 -0.034 0.000 1.169 747 A CA 0.963 52.979 52.037 -0.034 0.000 0.635 747 A CB -0.278 18.704 19.000 -0.031 0.000 0.810 747 A HN 0.562 nan 8.150 nan 0.000 0.445 748 K N 0.480 120.857 120.400 -0.039 0.000 2.380 748 K HA 0.087 4.385 4.320 -0.036 0.000 0.267 748 K C -0.373 176.205 176.600 -0.037 0.000 0.990 748 K CA 0.271 56.534 56.287 -0.040 0.000 0.946 748 K CB 0.347 32.819 32.500 -0.047 0.000 0.937 748 K HN 0.113 nan 8.250 nan 0.000 0.491 749 D N 0.720 121.099 120.400 -0.035 0.000 2.349 749 D HA 0.026 4.644 4.640 -0.036 0.000 0.215 749 D C 1.034 177.315 176.300 -0.033 0.000 1.016 749 D CA 0.301 54.282 54.000 -0.031 0.000 0.870 749 D CB 0.073 40.857 40.800 -0.027 0.000 0.917 749 D HN 0.664 nan 8.370 nan 0.000 0.524 750 G N 1.112 109.889 108.800 -0.038 0.000 2.489 750 G HA2 0.289 4.227 3.960 -0.036 0.000 0.271 750 G HA3 0.289 4.227 3.960 -0.036 0.000 0.271 750 G C -2.051 172.823 174.900 -0.043 0.000 1.427 750 G CA -0.646 44.430 45.100 -0.040 0.000 1.057 750 G HN -0.003 nan 8.290 nan 0.000 0.532 751 P HA 0.119 nan 4.420 nan 0.000 0.266 751 P C -0.257 177.007 177.300 -0.061 0.000 1.193 751 P CA 0.178 63.247 63.100 -0.052 0.000 0.770 751 P CB 0.523 32.187 31.700 -0.060 0.000 0.836 752 I N 2.693 123.230 120.570 -0.055 0.000 2.363 752 I HA 0.071 4.219 4.170 -0.036 0.000 0.292 752 I C 0.739 176.811 176.117 -0.075 0.000 1.075 752 I CA -0.414 60.849 61.300 -0.060 0.000 1.333 752 I CB 0.144 38.116 38.000 -0.048 0.000 1.415 752 I HN 0.112 nan 8.210 nan 0.000 0.502 753 V N 5.200 125.054 119.914 -0.100 0.000 2.973 753 V HA 0.634 4.732 4.120 -0.036 0.000 0.314 753 V C -2.428 173.589 176.094 -0.128 0.000 1.066 753 V CA -2.163 60.055 62.300 -0.137 0.000 1.021 753 V CB 0.680 32.381 31.823 -0.203 0.000 1.076 753 V HN 0.466 nan 8.190 nan 0.000 0.462 754 P HA 0.469 nan 4.420 nan 0.000 0.275 754 P C -1.074 176.164 177.300 -0.104 0.000 1.227 754 P CA -0.200 62.840 63.100 -0.100 0.000 0.781 754 P CB 0.785 32.445 31.700 -0.067 0.000 0.906 755 L N 4.420 125.602 121.223 -0.068 0.000 2.319 755 L HA 0.482 4.800 4.340 -0.036 0.000 0.281 755 L C -1.080 175.783 176.870 -0.012 0.000 1.005 755 L CA -0.378 54.441 54.840 -0.036 0.000 0.828 755 L CB 0.571 42.606 42.059 -0.039 0.000 1.227 755 L HN 0.252 nan 8.230 nan 0.000 0.415 756 I N 5.547 126.124 120.570 0.011 0.000 2.312 756 I HA 0.637 4.786 4.170 -0.036 0.000 0.290 756 I C -0.045 176.161 176.117 0.148 0.000 1.008 756 I CA -0.350 60.967 61.300 0.029 0.000 1.226 756 I CB 1.409 39.366 38.000 -0.072 0.000 1.371 756 I HN 0.810 nan 8.210 nan 0.000 0.468 757 A N 6.579 129.498 122.820 0.166 0.000 2.357 757 A HA 0.643 4.941 4.320 -0.036 0.000 0.295 757 A C -0.754 176.964 177.584 0.224 0.000 1.121 757 A CA -0.671 51.533 52.037 0.280 0.000 0.742 757 A CB 0.885 20.036 19.000 0.252 0.000 1.181 757 A HN 0.553 nan 8.150 nan 0.000 0.454 758 E N 2.281 122.606 120.200 0.209 0.000 2.145 758 E HA 0.537 4.866 4.350 -0.036 0.000 0.270 758 E C 0.049 176.733 176.600 0.140 0.000 0.906 758 E CA -0.234 56.257 56.400 0.151 0.000 0.761 758 E CB 1.827 31.612 29.700 0.141 0.000 1.116 758 E HN 0.775 nan 8.360 nan 0.000 0.408 759 T N -1.035 113.618 114.554 0.165 0.000 2.633 759 T HA 0.697 5.026 4.350 -0.036 0.000 0.262 759 T C 0.790 175.598 174.700 0.181 0.000 0.920 759 T CA -0.591 61.619 62.100 0.184 0.000 1.062 759 T CB 0.988 70.000 68.868 0.240 0.000 1.390 759 T HN 0.298 nan 8.240 nan 0.000 0.549 760 G N -1.158 107.759 108.800 0.194 0.000 2.486 760 G HA2 0.566 4.504 3.960 -0.036 0.000 0.272 760 G HA3 0.566 4.504 3.960 -0.036 0.000 0.272 760 G C 0.112 175.076 174.900 0.106 0.000 1.426 760 G CA -0.337 44.843 45.100 0.133 0.000 1.058 760 G HN 1.210 nan 8.290 nan 0.000 0.531 761 G N -2.089 106.639 108.800 -0.119 0.000 2.646 761 G HA2 0.468 4.406 3.960 -0.036 0.000 0.291 761 G HA3 0.468 4.406 3.960 -0.036 0.000 0.291 761 G C -1.302 173.367 174.900 -0.384 0.000 1.445 761 G CA -0.806 44.156 45.100 -0.231 0.000 0.814 761 G HN 0.587 nan 8.290 nan 0.000 0.495 762 I N 2.300 122.680 120.570 -0.317 0.000 2.442 762 I HA 0.207 4.356 4.170 -0.036 0.000 0.279 762 I C -0.571 175.559 176.117 0.022 0.000 1.081 762 I CA -0.878 60.342 61.300 -0.133 0.000 1.197 762 I CB 0.730 38.670 38.000 -0.101 0.000 1.394 762 I HN 0.183 nan 8.210 nan 0.000 0.488 763 N N 4.815 123.540 118.700 0.042 0.000 2.458 763 N HA 0.469 5.188 4.740 -0.036 0.000 0.270 763 N C -0.118 175.457 175.510 0.109 0.000 1.102 763 N CA -0.082 53.023 53.050 0.092 0.000 0.967 763 N CB 2.057 40.605 38.487 0.102 0.000 1.078 763 N HN 0.539 nan 8.380 nan 0.000 0.471 764 A N 2.100 125.012 122.820 0.153 0.000 2.294 764 A HA 0.728 5.027 4.320 -0.036 0.000 0.330 764 A C -0.207 177.497 177.584 0.199 0.000 1.133 764 A CA -0.685 51.477 52.037 0.209 0.000 0.836 764 A CB 1.142 20.358 19.000 0.360 0.000 1.190 764 A HN 0.726 nan 8.150 nan 0.000 0.492 765 M N 1.617 121.351 119.600 0.223 0.000 2.395 765 M HA 0.644 5.102 4.480 -0.036 0.000 0.307 765 M C -1.999 174.472 176.300 0.285 0.000 1.091 765 M CA -0.512 54.917 55.300 0.215 0.000 0.919 765 M CB 1.320 34.014 32.600 0.156 0.000 1.662 765 M HN 0.577 nan 8.290 nan 0.000 0.440 766 I N 4.017 124.728 120.570 0.235 0.000 2.362 766 I HA 0.598 4.746 4.170 -0.036 0.000 0.289 766 I C -0.460 175.808 176.117 0.251 0.000 0.994 766 I CA -0.651 60.787 61.300 0.230 0.000 1.158 766 I CB 1.746 39.797 38.000 0.085 0.000 1.315 766 I HN 0.791 nan 8.210 nan 0.000 0.451 767 A N 5.218 128.213 122.820 0.290 0.000 2.319 767 A HA 0.647 4.945 4.320 -0.036 0.000 0.310 767 A C -0.814 176.919 177.584 0.249 0.000 1.152 767 A CA -0.665 51.519 52.037 0.245 0.000 0.783 767 A CB 0.841 19.931 19.000 0.149 0.000 1.184 767 A HN 0.747 nan 8.150 nan 0.000 0.474 768 D N 1.655 122.178 120.400 0.206 0.000 2.478 768 D HA 0.542 5.161 4.640 -0.036 0.000 0.263 768 D C 0.901 177.254 176.300 0.088 0.000 1.153 768 D CA -0.015 54.074 54.000 0.149 0.000 1.038 768 D CB 1.088 41.983 40.800 0.159 0.000 1.120 768 D HN 0.344 nan 8.370 nan 0.000 0.564 769 A N -0.900 121.950 122.820 0.050 0.000 2.235 769 A HA 0.038 4.336 4.320 -0.036 0.000 0.208 769 A C 1.700 179.315 177.584 0.052 0.000 1.172 769 A CA 1.338 53.397 52.037 0.036 0.000 0.786 769 A CB -1.121 17.889 19.000 0.017 0.000 0.804 769 A HN 0.684 nan 8.150 nan 0.000 0.479 770 T N -2.963 111.632 114.554 0.069 0.000 3.100 770 T HA 0.492 4.821 4.350 -0.036 0.000 0.253 770 T C 0.783 175.532 174.700 0.081 0.000 1.118 770 T CA 0.454 62.596 62.100 0.069 0.000 1.058 770 T CB -0.352 68.559 68.868 0.072 0.000 0.953 770 T HN 0.515 nan 8.240 nan 0.000 0.515 771 A N 1.718 124.598 122.820 0.100 0.000 2.388 771 A HA 0.607 4.906 4.320 -0.036 0.000 0.257 771 A C 0.061 177.704 177.584 0.098 0.000 1.095 771 A CA -0.716 51.401 52.037 0.134 0.000 0.791 771 A CB 0.021 19.128 19.000 0.179 0.000 1.029 771 A HN 0.492 nan 8.150 nan 0.000 0.489 772 L N 4.662 125.952 121.223 0.113 0.000 2.456 772 L HA 0.298 4.616 4.340 -0.036 0.000 0.277 772 L C -1.674 175.226 176.870 0.051 0.000 1.124 772 L CA -1.398 53.491 54.840 0.081 0.000 0.880 772 L CB 0.554 42.670 42.059 0.094 0.000 1.192 772 L HN 0.445 nan 8.230 nan 0.000 0.463 773 P HA -0.173 nan 4.420 nan 0.000 0.216 773 P C 0.840 178.136 177.300 -0.007 0.000 1.150 773 P CA 1.337 64.435 63.100 -0.002 0.000 0.843 773 P CB 0.354 32.052 31.700 -0.004 0.000 0.787 774 E N -0.865 119.349 120.200 0.024 0.000 2.153 774 E HA -0.178 4.151 4.350 -0.036 0.000 0.194 774 E C 2.152 178.768 176.600 0.025 0.000 0.988 774 E CA 0.995 57.415 56.400 0.033 0.000 0.811 774 E CB -0.590 29.151 29.700 0.069 0.000 0.746 774 E HN 0.289 nan 8.360 nan 0.000 0.466 775 Q N -0.043 119.780 119.800 0.038 0.000 2.137 775 Q HA 0.002 4.321 4.340 -0.036 0.000 0.198 775 Q C 2.410 178.379 176.000 -0.052 0.000 0.960 775 Q CA 0.666 56.504 55.803 0.057 0.000 0.847 775 Q CB -0.250 28.576 28.738 0.148 0.000 0.915 775 Q HN 0.226 nan 8.270 nan 0.000 0.448 776 V N 1.617 121.421 119.914 -0.185 0.000 2.287 776 V HA -0.291 3.807 4.120 -0.036 0.000 0.248 776 V C 2.402 178.367 176.094 -0.215 0.000 1.053 776 V CA 2.009 64.065 62.300 -0.407 0.000 1.027 776 V CB -1.097 30.552 31.823 -0.291 0.000 0.646 776 V HN 0.329 nan 8.190 nan 0.000 0.447 777 A N -0.282 122.471 122.820 -0.112 0.000 1.898 777 A HA -0.238 4.061 4.320 -0.036 0.000 0.216 777 A C 1.995 179.544 177.584 -0.059 0.000 1.181 777 A CA 1.960 53.952 52.037 -0.076 0.000 0.620 777 A CB -0.662 18.309 19.000 -0.049 0.000 0.819 777 A HN 0.534 nan 8.150 nan 0.000 0.442 778 D N 0.426 120.804 120.400 -0.037 0.000 2.092 778 D HA -0.140 4.479 4.640 -0.036 0.000 0.193 778 D C 1.322 177.603 176.300 -0.032 0.000 0.994 778 D CA 1.624 55.614 54.000 -0.018 0.000 0.828 778 D CB -0.403 40.404 40.800 0.013 0.000 0.963 778 D HN 0.390 nan 8.370 nan 0.000 0.450 779 D N -0.344 120.032 120.400 -0.040 0.000 2.224 779 D HA -0.054 4.564 4.640 -0.036 0.000 0.205 779 D C 2.204 178.459 176.300 -0.076 0.000 0.965 779 D CA 0.185 54.169 54.000 -0.025 0.000 0.852 779 D CB -0.017 40.828 40.800 0.075 0.000 0.947 779 D HN 0.077 nan 8.370 nan 0.000 0.494 780 V N 0.405 120.248 119.914 -0.119 0.000 2.379 780 V HA -0.154 3.944 4.120 -0.036 0.000 0.245 780 V C 2.585 178.540 176.094 -0.233 0.000 1.044 780 V CA 0.807 63.011 62.300 -0.160 0.000 1.036 780 V CB -0.174 31.560 31.823 -0.147 0.000 0.664 780 V HN 0.043 nan 8.190 nan 0.000 0.453 781 V N -0.134 119.702 119.914 -0.131 0.000 2.343 781 V HA -0.282 3.817 4.120 -0.036 0.000 0.247 781 V C 2.580 178.637 176.094 -0.061 0.000 1.051 781 V CA 2.716 64.993 62.300 -0.039 0.000 1.036 781 V CB -0.870 30.999 31.823 0.077 0.000 0.654 781 V HN 0.604 nan 8.190 nan 0.000 0.451 782 T N -0.279 114.239 114.554 -0.060 0.000 2.674 782 T HA -0.176 4.152 4.350 -0.036 0.000 0.265 782 T C 2.116 176.761 174.700 -0.090 0.000 1.039 782 T CA 1.957 64.029 62.100 -0.047 0.000 1.150 782 T CB -0.299 68.542 68.868 -0.044 0.000 0.864 782 T HN 0.506 nan 8.240 nan 0.000 0.427 783 S N 1.159 116.781 115.700 -0.130 0.000 2.399 783 S HA -0.002 4.446 4.470 -0.036 0.000 0.231 783 S C 2.334 176.822 174.600 -0.187 0.000 1.022 783 S CA 1.021 59.139 58.200 -0.136 0.000 0.983 783 S CB -0.307 62.827 63.200 -0.111 0.000 0.803 783 S HN 0.580 nan 8.310 nan 0.000 0.480 784 A N -0.324 122.279 122.820 -0.362 0.000 2.063 784 A HA 0.387 4.685 4.320 -0.036 0.000 0.211 784 A C 1.325 178.682 177.584 -0.378 0.000 1.177 784 A CA 0.385 52.113 52.037 -0.515 0.000 0.759 784 A CB -0.078 18.369 19.000 -0.923 0.000 0.857 784 A HN 0.461 nan 8.150 nan 0.000 0.468 785 F N -0.629 119.320 119.950 -0.002 0.000 2.740 785 F HA 0.357 4.862 4.527 -0.037 0.000 0.304 785 F C 0.810 176.620 175.800 0.016 0.000 1.098 785 F CA -0.852 57.157 58.000 0.015 0.000 1.258 785 F CB -0.332 38.681 39.000 0.022 0.000 1.061 785 F HN 0.032 nan 8.300 nan 0.000 0.598 786 R N 1.247 121.829 120.500 0.136 0.000 2.585 786 R HA 0.099 4.418 4.340 -0.036 0.000 0.275 786 R C 0.795 177.131 176.300 0.060 0.000 1.018 786 R CA 0.920 57.073 56.100 0.088 0.000 1.072 786 R CB -0.079 30.242 30.300 0.035 0.000 0.953 786 R HN 0.229 nan 8.270 nan 0.000 0.419 787 S N 2.627 118.365 115.700 0.063 0.000 3.587 787 S HA -0.242 4.206 4.470 -0.036 0.000 0.337 787 S C 0.551 175.178 174.600 0.045 0.000 1.119 787 S CA 1.032 59.250 58.200 0.030 0.000 0.976 787 S CB -2.068 61.110 63.200 -0.038 0.000 0.922 787 S HN 1.626 nan 8.310 nan 0.000 0.503 788 A N -1.265 121.613 122.820 0.097 0.000 2.799 788 A HA 0.128 4.427 4.320 -0.036 0.000 0.287 788 A C 2.111 179.742 177.584 0.077 0.000 1.484 788 A CA 1.519 53.627 52.037 0.119 0.000 0.813 788 A CB -2.223 16.841 19.000 0.106 0.000 1.009 788 A HN 2.596 nan 8.150 nan 0.000 0.545 789 G N -2.096 106.725 108.800 0.035 0.000 2.179 789 G HA2 -0.321 3.617 3.960 -0.036 0.000 0.257 789 G HA3 -0.321 3.617 3.960 -0.036 0.000 0.257 789 G C 0.197 174.888 174.900 -0.347 0.000 1.010 789 G CA 0.922 45.973 45.100 -0.082 0.000 0.736 789 G HN 1.331 nan 8.290 nan 0.000 0.513 790 Q N -0.385 119.234 119.800 -0.301 0.000 2.399 790 Q HA 0.264 4.582 4.340 -0.036 0.000 0.307 790 Q C 0.866 176.590 176.000 -0.460 0.000 0.933 790 Q CA -0.001 55.489 55.803 -0.521 0.000 0.995 790 Q CB 0.357 29.168 28.738 0.121 0.000 1.191 790 Q HN 0.542 nan 8.270 nan 0.000 0.426 791 R N -0.780 119.470 120.500 -0.417 0.000 2.711 791 R HA 0.298 4.617 4.340 -0.036 0.000 0.284 791 R C 0.390 176.715 176.300 0.042 0.000 0.968 791 R CA -0.589 55.500 56.100 -0.018 0.000 0.924 791 R CB 1.215 31.559 30.300 0.073 0.000 1.162 791 R HN 0.234 nan 8.270 nan 0.000 0.465 792 C N -0.052 119.448 119.300 0.334 0.000 2.448 792 C HA -0.072 4.367 4.460 -0.036 0.000 0.280 792 C C 2.290 177.463 174.990 0.305 0.000 1.398 792 C CA 0.613 59.870 59.018 0.398 0.000 1.774 792 C CB -0.864 27.115 27.740 0.398 0.000 1.888 792 C HN 0.905 nan 8.230 nan 0.000 0.519 793 S N 1.292 117.164 115.700 0.287 0.000 2.603 793 S HA 0.314 4.762 4.470 -0.036 0.000 0.220 793 S C 0.866 175.550 174.600 0.140 0.000 0.967 793 S CA 0.453 58.831 58.200 0.295 0.000 0.920 793 S CB -0.369 63.009 63.200 0.296 0.000 0.773 793 S HN 0.591 nan 8.310 nan 0.000 0.529 794 A N 1.996 124.852 122.820 0.059 0.000 2.498 794 A HA 0.455 4.753 4.320 -0.036 0.000 0.239 794 A C 0.145 177.726 177.584 -0.005 0.000 1.068 794 A CA -0.483 51.543 52.037 -0.019 0.000 0.766 794 A CB -0.182 18.758 19.000 -0.100 0.000 1.003 794 A HN 0.581 nan 8.150 nan 0.000 0.497 795 L N 2.391 123.589 121.223 -0.041 0.000 2.462 795 L HA 0.266 4.585 4.340 -0.036 0.000 0.272 795 L C 1.020 177.875 176.870 -0.025 0.000 1.166 795 L CA 0.649 55.472 54.840 -0.028 0.000 0.880 795 L CB 0.250 42.265 42.059 -0.073 0.000 1.142 795 L HN 0.745 nan 8.230 nan 0.000 0.473 796 R N 4.330 124.852 120.500 0.037 0.000 2.342 796 R HA 0.346 4.664 4.340 -0.036 0.000 0.204 796 R C -0.791 175.608 176.300 0.164 0.000 0.882 796 R CA -0.088 56.080 56.100 0.113 0.000 1.041 796 R CB -0.059 30.295 30.300 0.089 0.000 1.188 796 R HN 0.490 nan 8.270 nan 0.000 0.598 797 L N 1.726 122.989 121.223 0.066 0.000 2.457 797 L HA 0.433 4.751 4.340 -0.036 0.000 0.266 797 L C -1.560 175.260 176.870 -0.084 0.000 0.979 797 L CA -1.025 53.802 54.840 -0.020 0.000 0.857 797 L CB 1.632 43.640 42.059 -0.084 0.000 1.213 797 L HN -0.091 nan 8.230 nan 0.000 0.418 798 L N 5.197 126.361 121.223 -0.099 0.000 2.264 798 L HA 0.601 4.920 4.340 -0.036 0.000 0.289 798 L C -1.260 175.533 176.870 -0.129 0.000 1.044 798 L CA 0.369 55.184 54.840 -0.043 0.000 0.807 798 L CB 0.543 42.598 42.059 -0.007 0.000 1.192 798 L HN 0.434 nan 8.230 nan 0.000 0.425 799 F N 5.109 125.125 119.950 0.111 0.000 2.410 799 F HA 0.587 5.092 4.527 -0.036 0.000 0.349 799 F C 0.117 176.096 175.800 0.299 0.000 1.117 799 F CA -0.393 57.708 58.000 0.168 0.000 1.104 799 F CB 1.733 40.729 39.000 -0.006 0.000 1.122 799 F HN 0.301 nan 8.300 nan 0.000 0.483 800 V N 4.681 124.902 119.914 0.512 0.000 2.638 800 V HA 0.381 4.480 4.120 -0.036 0.000 0.306 800 V C -0.601 175.546 176.094 0.089 0.000 1.052 800 V CA -0.583 61.903 62.300 0.309 0.000 0.885 800 V CB 1.885 33.785 31.823 0.129 0.000 0.999 800 V HN 0.775 nan 8.190 nan 0.000 0.424 801 Q N 3.192 122.880 119.800 -0.187 0.000 2.361 801 Q HA 0.111 4.429 4.340 -0.036 0.000 0.276 801 Q C 1.280 177.139 176.000 -0.235 0.000 1.022 801 Q CA 0.708 56.174 55.803 -0.562 0.000 0.898 801 Q CB 1.045 29.536 28.738 -0.412 0.000 1.246 801 Q HN 0.935 nan 8.270 nan 0.000 0.410 802 E N 1.858 121.928 120.200 -0.216 0.000 2.118 802 E HA -0.279 4.049 4.350 -0.036 0.000 0.195 802 E C 0.270 176.844 176.600 -0.044 0.000 0.992 802 E CA 1.402 57.756 56.400 -0.076 0.000 0.804 802 E CB 0.051 29.727 29.700 -0.039 0.000 0.741 802 E HN 0.568 nan 8.360 nan 0.000 0.458 803 D N 0.903 121.273 120.400 -0.052 0.000 2.263 803 D HA -0.107 4.512 4.640 -0.036 0.000 0.208 803 D C 1.804 178.095 176.300 -0.015 0.000 0.971 803 D CA 1.617 55.606 54.000 -0.018 0.000 0.867 803 D CB 0.452 41.249 40.800 -0.005 0.000 0.929 803 D HN 0.377 nan 8.370 nan 0.000 0.492 804 V N -3.793 116.105 119.914 -0.026 0.000 3.346 804 V HA 0.524 4.623 4.120 -0.036 0.000 0.309 804 V C 1.758 177.838 176.094 -0.022 0.000 1.457 804 V CA 0.311 62.599 62.300 -0.019 0.000 1.069 804 V CB 0.276 32.093 31.823 -0.011 0.000 0.944 804 V HN -0.017 nan 8.190 nan 0.000 0.449 805 A N 1.044 123.851 122.820 -0.021 0.000 1.902 805 A HA -0.156 4.142 4.320 -0.036 0.000 0.217 805 A C 1.893 179.454 177.584 -0.038 0.000 1.181 805 A CA 2.268 54.294 52.037 -0.019 0.000 0.623 805 A CB -0.592 18.408 19.000 0.001 0.000 0.818 805 A HN 0.524 nan 8.150 nan 0.000 0.443 806 D N -0.789 119.596 120.400 -0.025 0.000 2.117 806 D HA -0.141 4.477 4.640 -0.036 0.000 0.197 806 D C 2.149 178.422 176.300 -0.045 0.000 0.987 806 D CA 1.596 55.580 54.000 -0.028 0.000 0.829 806 D CB -0.252 40.545 40.800 -0.004 0.000 0.961 806 D HN 0.383 nan 8.370 nan 0.000 0.460 807 R N 0.652 121.128 120.500 -0.040 0.000 2.066 807 R HA 0.032 4.350 4.340 -0.036 0.000 0.232 807 R C 2.276 178.543 176.300 -0.054 0.000 1.131 807 R CA 1.159 57.232 56.100 -0.046 0.000 0.955 807 R CB -0.635 29.640 30.300 -0.040 0.000 0.851 807 R HN 0.119 nan 8.270 nan 0.000 0.432 808 M N -0.360 119.209 119.600 -0.051 0.000 2.117 808 M HA -0.127 4.332 4.480 -0.036 0.000 0.262 808 M C 2.212 178.462 176.300 -0.083 0.000 1.065 808 M CA 1.763 57.029 55.300 -0.057 0.000 1.114 808 M CB -0.314 32.261 32.600 -0.043 0.000 1.361 808 M HN 0.148 nan 8.290 nan 0.000 0.408 809 I N -0.033 120.469 120.570 -0.113 0.000 2.179 809 I HA -0.292 3.856 4.170 -0.036 0.000 0.242 809 I C 2.563 178.582 176.117 -0.163 0.000 1.088 809 I CA 1.464 62.651 61.300 -0.188 0.000 1.357 809 I CB -0.512 37.275 38.000 -0.355 0.000 1.051 809 I HN 0.399 nan 8.210 nan 0.000 0.409 810 E N 1.100 121.227 120.200 -0.121 0.000 2.110 810 E HA -0.287 4.041 4.350 -0.036 0.000 0.193 810 E C 2.314 178.860 176.600 -0.090 0.000 0.988 810 E CA 1.350 57.700 56.400 -0.083 0.000 0.804 810 E CB -0.070 29.597 29.700 -0.055 0.000 0.745 810 E HN 0.440 nan 8.360 nan 0.000 0.458 811 M N 0.180 119.731 119.600 -0.082 0.000 2.156 811 M HA -0.105 4.353 4.480 -0.036 0.000 0.264 811 M C 2.139 178.386 176.300 -0.088 0.000 1.067 811 M CA 0.853 56.108 55.300 -0.075 0.000 1.131 811 M CB 0.217 32.786 32.600 -0.053 0.000 1.368 811 M HN 0.081 nan 8.290 nan 0.000 0.416 812 V N 0.642 120.505 119.914 -0.084 0.000 2.343 812 V HA -0.266 3.833 4.120 -0.036 0.000 0.247 812 V C 2.600 178.621 176.094 -0.122 0.000 1.051 812 V CA 2.004 64.265 62.300 -0.065 0.000 1.036 812 V CB -1.346 30.455 31.823 -0.037 0.000 0.654 812 V HN 0.606 nan 8.190 nan 0.000 0.451 813 A N 0.438 123.154 122.820 -0.174 0.000 1.902 813 A HA -0.087 4.212 4.320 -0.036 0.000 0.217 813 A C 2.425 179.701 177.584 -0.512 0.000 1.181 813 A CA 1.954 53.778 52.037 -0.355 0.000 0.623 813 A CB -1.236 17.661 19.000 -0.173 0.000 0.818 813 A HN 0.530 nan 8.150 nan 0.000 0.443 814 G N -0.648 107.982 108.800 -0.283 0.000 2.422 814 G HA2 0.036 3.975 3.960 -0.036 0.000 0.218 814 G HA3 0.036 3.975 3.960 -0.036 0.000 0.218 814 G C 1.712 176.472 174.900 -0.233 0.000 1.146 814 G CA 1.384 46.343 45.100 -0.234 0.000 0.769 814 G HN 0.781 nan 8.290 nan 0.000 0.547 815 A N 1.172 123.878 122.820 -0.191 0.000 1.898 815 A HA 0.321 4.619 4.320 -0.036 0.000 0.216 815 A C 2.797 180.261 177.584 -0.200 0.000 1.181 815 A CA 2.099 54.049 52.037 -0.145 0.000 0.620 815 A CB -0.735 18.217 19.000 -0.080 0.000 0.819 815 A HN 0.744 nan 8.150 nan 0.000 0.442 816 A N -0.438 122.199 122.820 -0.305 0.000 1.972 816 A HA -0.156 4.143 4.320 -0.036 0.000 0.219 816 A C 2.218 179.529 177.584 -0.454 0.000 1.169 816 A CA 1.583 53.379 52.037 -0.402 0.000 0.635 816 A CB -0.487 18.150 19.000 -0.605 0.000 0.810 816 A HN 0.525 nan 8.150 nan 0.000 0.446 817 R N -0.390 119.742 120.500 -0.614 0.000 2.193 817 R HA -0.106 4.212 4.340 -0.036 0.000 0.229 817 R C 0.947 177.190 176.300 -0.093 0.000 1.110 817 R CA 1.267 57.199 56.100 -0.281 0.000 0.988 817 R CB -0.033 30.124 30.300 -0.238 0.000 0.871 817 R HN 0.397 nan 8.270 nan 0.000 0.458 818 E N 0.407 120.535 120.200 -0.121 0.000 2.489 818 E HA 0.025 4.353 4.350 -0.036 0.000 0.193 818 E C 0.078 176.675 176.600 -0.005 0.000 1.057 818 E CA 0.165 56.536 56.400 -0.049 0.000 0.866 818 E CB 0.140 29.803 29.700 -0.061 0.000 0.916 818 E HN 0.363 nan 8.360 nan 0.000 0.500 819 L N 1.771 122.974 121.223 -0.033 0.000 2.360 819 L HA 0.138 4.456 4.340 -0.036 0.000 0.276 819 L C 0.753 177.755 176.870 0.220 0.000 1.121 819 L CA -0.091 54.786 54.840 0.061 0.000 0.845 819 L CB 0.386 42.444 42.059 -0.002 0.000 1.143 819 L HN -0.246 nan 8.230 nan 0.000 0.452 820 K N 4.526 125.197 120.400 0.451 0.000 2.312 820 K HA 0.415 4.714 4.320 -0.036 0.000 0.287 820 K C -0.713 175.950 176.600 0.105 0.000 1.062 820 K CA -0.318 56.068 56.287 0.164 0.000 0.934 820 K CB 0.526 33.048 32.500 0.036 0.000 1.027 820 K HN 0.472 nan 8.250 nan 0.000 0.478 821 I N 3.801 124.392 120.570 0.034 0.000 2.377 821 I HA 0.513 4.662 4.170 -0.036 0.000 0.293 821 I C 0.629 176.671 176.117 -0.125 0.000 0.987 821 I CA -0.236 61.073 61.300 0.015 0.000 1.185 821 I CB 1.791 39.783 38.000 -0.014 0.000 1.341 821 I HN 0.920 nan 8.210 nan 0.000 0.455 822 G N 4.337 113.114 108.800 -0.038 0.000 2.367 822 G HA2 -0.007 3.932 3.960 -0.036 0.000 0.272 822 G HA3 -0.007 3.932 3.960 -0.036 0.000 0.272 822 G C -1.644 173.392 174.900 0.226 0.000 1.271 822 G CA -0.789 44.226 45.100 -0.143 0.000 0.893 822 G HN 0.469 nan 8.290 nan 0.000 0.485 823 D N 1.690 122.181 120.400 0.152 0.000 2.502 823 D HA 0.167 4.785 4.640 -0.036 0.000 0.249 823 D C -0.505 175.858 176.300 0.105 0.000 1.188 823 D CA -1.150 52.949 54.000 0.165 0.000 0.890 823 D CB 1.479 42.329 40.800 0.084 0.000 1.140 823 D HN 0.062 nan 8.370 nan 0.000 0.505 824 P HA -0.092 nan 4.420 nan 0.000 0.225 824 P C 0.929 178.247 177.300 0.031 0.000 1.148 824 P CA 0.542 63.681 63.100 0.065 0.000 0.779 824 P CB 0.384 32.115 31.700 0.052 0.000 0.780 825 S N -0.757 114.955 115.700 0.021 0.000 2.470 825 S HA -0.032 4.417 4.470 -0.036 0.000 0.225 825 S C 0.831 175.421 174.600 -0.017 0.000 1.006 825 S CA 0.133 58.332 58.200 -0.002 0.000 0.934 825 S CB -0.712 62.485 63.200 -0.004 0.000 0.778 825 S HN 0.223 nan 8.310 nan 0.000 0.517 826 D N 1.485 121.877 120.400 -0.013 0.000 2.383 826 D HA 0.032 4.651 4.640 -0.036 0.000 0.252 826 D C 1.007 177.276 176.300 -0.051 0.000 1.166 826 D CA 0.026 54.006 54.000 -0.033 0.000 0.879 826 D CB 1.181 41.963 40.800 -0.030 0.000 1.164 826 D HN -0.061 nan 8.370 nan 0.000 0.462 827 V N 4.130 124.000 119.914 -0.073 0.000 2.720 827 V HA -0.146 3.953 4.120 -0.036 0.000 0.256 827 V C 1.788 177.821 176.094 -0.103 0.000 1.082 827 V CA 2.322 64.564 62.300 -0.096 0.000 1.101 827 V CB -0.492 31.251 31.823 -0.133 0.000 0.693 827 V HN 0.694 nan 8.190 nan 0.000 0.479 828 A N -0.975 121.778 122.820 -0.113 0.000 2.208 828 A HA 0.151 4.450 4.320 -0.036 0.000 0.209 828 A C 1.291 178.697 177.584 -0.296 0.000 1.161 828 A CA 0.751 52.686 52.037 -0.170 0.000 0.782 828 A CB -0.474 18.462 19.000 -0.106 0.000 0.816 828 A HN 0.517 nan 8.150 nan 0.000 0.477 829 T N -0.105 114.337 114.554 -0.187 0.000 2.901 829 T HA 0.265 4.593 4.350 -0.036 0.000 0.301 829 T C 0.615 175.212 174.700 -0.172 0.000 1.012 829 T CA 0.347 62.361 62.100 -0.143 0.000 1.135 829 T CB 0.554 69.413 68.868 -0.014 0.000 0.936 829 T HN 0.538 nan 8.240 nan 0.000 0.539 830 H N 0.741 119.852 119.070 0.069 0.000 2.506 830 H HA 0.339 4.876 4.556 -0.032 0.000 0.289 830 H C 0.227 175.608 175.328 0.088 0.000 1.009 830 H CA 0.025 56.119 56.048 0.076 0.000 1.303 830 H CB 0.783 30.586 29.762 0.068 0.000 1.453 830 H HN 0.249 nan 8.280 nan 0.000 0.526 831 V N 1.664 121.705 119.914 0.212 0.000 2.409 831 V HA 0.445 4.543 4.120 -0.036 0.000 0.290 831 V C 0.535 176.757 176.094 0.214 0.000 1.017 831 V CA -0.684 61.730 62.300 0.189 0.000 0.841 831 V CB 1.242 33.172 31.823 0.179 0.000 1.003 831 V HN 0.436 nan 8.190 nan 0.000 0.426 832 G N 5.568 114.477 108.800 0.182 0.000 2.525 832 G HA2 0.635 4.574 3.960 -0.036 0.000 0.287 832 G HA3 0.635 4.574 3.960 -0.036 0.000 0.287 832 G C -2.623 172.344 174.900 0.112 0.000 1.350 832 G CA -1.242 43.975 45.100 0.194 0.000 1.039 832 G HN 0.542 nan 8.290 nan 0.000 0.513 833 P HA 0.264 nan 4.420 nan 0.000 0.276 833 P C 0.420 177.571 177.300 -0.248 0.000 1.244 833 P CA -0.345 62.400 63.100 -0.591 0.000 0.801 833 P CB 1.189 32.320 31.700 -0.949 0.000 1.006 834 V N 0.044 119.831 119.914 -0.212 0.000 3.264 834 V HA 0.074 4.172 4.120 -0.036 0.000 0.304 834 V C 1.736 177.687 176.094 -0.239 0.000 1.086 834 V CA -0.190 62.033 62.300 -0.128 0.000 1.090 834 V CB -0.353 31.436 31.823 -0.056 0.000 1.112 834 V HN 0.427 nan 8.190 nan 0.000 0.472 835 I N 1.420 121.772 120.570 -0.363 0.000 2.226 835 I HA 0.024 4.173 4.170 -0.036 0.000 0.245 835 I C 0.701 176.575 176.117 -0.405 0.000 1.100 835 I CA 1.900 62.883 61.300 -0.529 0.000 1.374 835 I CB -0.555 36.678 38.000 -1.279 0.000 1.057 835 I HN 1.190 nan 8.210 nan 0.000 0.413 836 D N -3.394 116.793 120.400 -0.356 0.000 2.643 836 D HA 0.131 4.750 4.640 -0.036 0.000 0.283 836 D C 0.598 176.800 176.300 -0.162 0.000 1.242 836 D CA -0.416 53.439 54.000 -0.240 0.000 0.863 836 D CB 0.831 41.487 40.800 -0.240 0.000 1.382 836 D HN -0.239 nan 8.370 nan 0.000 0.444 837 V N 0.239 120.084 119.914 -0.115 0.000 2.392 837 V HA -0.245 3.853 4.120 -0.036 0.000 0.249 837 V C 1.934 177.996 176.094 -0.054 0.000 1.059 837 V CA 2.415 64.672 62.300 -0.071 0.000 1.051 837 V CB -0.779 31.014 31.823 -0.050 0.000 0.658 837 V HN 0.555 nan 8.190 nan 0.000 0.455 838 E N 0.256 120.418 120.200 -0.063 0.000 2.110 838 E HA -0.133 4.196 4.350 -0.036 0.000 0.193 838 E C 2.237 178.823 176.600 -0.024 0.000 0.988 838 E CA 1.395 57.773 56.400 -0.037 0.000 0.804 838 E CB -0.550 29.127 29.700 -0.038 0.000 0.745 838 E HN 0.616 nan 8.360 nan 0.000 0.458 839 A N 1.289 124.075 122.820 -0.058 0.000 1.877 839 A HA -0.243 4.055 4.320 -0.036 0.000 0.216 839 A C 2.103 179.697 177.584 0.016 0.000 1.186 839 A CA 1.825 53.853 52.037 -0.015 0.000 0.620 839 A CB -0.482 18.471 19.000 -0.079 0.000 0.822 839 A HN 0.161 nan 8.150 nan 0.000 0.443 840 K N -0.878 119.514 120.400 -0.013 0.000 2.063 840 K HA -0.228 4.071 4.320 -0.036 0.000 0.208 840 K C 2.491 179.107 176.600 0.026 0.000 1.048 840 K CA 1.966 58.259 56.287 0.010 0.000 0.928 840 K CB -0.398 32.098 32.500 -0.007 0.000 0.713 840 K HN 0.510 nan 8.250 nan 0.000 0.442 841 Q N 1.346 121.156 119.800 0.017 0.000 2.084 841 Q HA -0.196 4.122 4.340 -0.036 0.000 0.202 841 Q C 2.048 178.072 176.000 0.041 0.000 0.978 841 Q CA 1.946 57.764 55.803 0.025 0.000 0.844 841 Q CB -0.657 28.090 28.738 0.016 0.000 0.898 841 Q HN 0.537 nan 8.270 nan 0.000 0.426 842 R N -0.469 120.060 120.500 0.049 0.000 2.081 842 R HA 0.017 4.336 4.340 -0.036 0.000 0.235 842 R C 2.449 178.806 176.300 0.094 0.000 1.131 842 R CA 1.364 57.506 56.100 0.070 0.000 0.960 842 R CB -0.369 29.977 30.300 0.076 0.000 0.856 842 R HN 0.555 nan 8.270 nan 0.000 0.436 843 L N 0.364 121.642 121.223 0.092 0.000 2.017 843 L HA -0.196 4.122 4.340 -0.036 0.000 0.208 843 L C 1.873 178.797 176.870 0.089 0.000 1.073 843 L CA 1.262 56.167 54.840 0.107 0.000 0.745 843 L CB -0.481 41.636 42.059 0.097 0.000 0.894 843 L HN 0.205 nan 8.230 nan 0.000 0.432 844 D N 0.153 120.585 120.400 0.054 0.000 2.178 844 D HA -0.142 4.477 4.640 -0.036 0.000 0.201 844 D C 2.196 178.515 176.300 0.031 0.000 0.980 844 D CA 1.392 55.409 54.000 0.028 0.000 0.842 844 D CB 0.004 40.821 40.800 0.028 0.000 0.948 844 D HN 0.312 nan 8.370 nan 0.000 0.472 845 A N 0.099 122.950 122.820 0.051 0.000 1.898 845 A HA -0.221 4.078 4.320 -0.036 0.000 0.216 845 A C 2.052 179.664 177.584 0.046 0.000 1.181 845 A CA 1.883 53.946 52.037 0.044 0.000 0.620 845 A CB -0.878 18.154 19.000 0.053 0.000 0.819 845 A HN 0.336 nan 8.150 nan 0.000 0.442 846 H N -0.300 118.767 119.070 -0.004 0.000 2.353 846 H HA -0.016 4.519 4.556 -0.036 0.000 0.300 846 H C 1.725 177.007 175.328 -0.076 0.000 1.090 846 H CA 1.935 57.972 56.048 -0.017 0.000 1.327 846 H CB -0.226 29.557 29.762 0.035 0.000 1.383 846 H HN 0.424 nan 8.280 nan 0.000 0.508 847 I N 0.122 120.669 120.570 -0.037 0.000 2.179 847 I HA -0.276 3.872 4.170 -0.036 0.000 0.242 847 I C 2.706 178.759 176.117 -0.107 0.000 1.088 847 I CA 1.068 62.320 61.300 -0.081 0.000 1.357 847 I CB -0.465 37.469 38.000 -0.110 0.000 1.051 847 I HN 0.455 nan 8.210 nan 0.000 0.409 848 A N 0.426 123.206 122.820 -0.067 0.000 1.883 848 A HA -0.265 4.034 4.320 -0.036 0.000 0.217 848 A C 2.528 180.046 177.584 -0.110 0.000 1.186 848 A CA 2.245 54.252 52.037 -0.050 0.000 0.624 848 A CB -0.812 18.174 19.000 -0.023 0.000 0.822 848 A HN 0.326 nan 8.150 nan 0.000 0.444 849 R N -1.113 119.287 120.500 -0.167 0.000 2.081 849 R HA -0.075 4.243 4.340 -0.036 0.000 0.235 849 R C 2.242 178.358 176.300 -0.307 0.000 1.131 849 R CA 1.899 57.881 56.100 -0.198 0.000 0.960 849 R CB -0.894 29.295 30.300 -0.185 0.000 0.856 849 R HN 0.612 nan 8.270 nan 0.000 0.436 850 M N 0.692 119.954 119.600 -0.564 0.000 2.175 850 M HA 0.011 4.469 4.480 -0.036 0.000 0.264 850 M C 2.238 178.205 176.300 -0.556 0.000 1.063 850 M CA 1.753 56.550 55.300 -0.837 0.000 1.119 850 M CB -0.834 30.679 32.600 -1.812 0.000 1.377 850 M HN 0.283 nan 8.290 nan 0.000 0.415 851 K N -0.243 119.998 120.400 -0.265 0.000 2.152 851 K HA -0.133 4.166 4.320 -0.036 0.000 0.206 851 K C 1.782 178.386 176.600 0.007 0.000 1.048 851 K CA 1.898 58.226 56.287 0.068 0.000 0.933 851 K CB -0.308 32.267 32.500 0.124 0.000 0.721 851 K HN 0.509 nan 8.250 nan 0.000 0.447 852 T N -2.657 111.864 114.554 -0.056 0.000 3.081 852 T HA 0.095 4.424 4.350 -0.036 0.000 0.250 852 T C 1.409 176.084 174.700 -0.042 0.000 1.100 852 T CA 0.359 62.438 62.100 -0.035 0.000 1.038 852 T CB 0.317 69.164 68.868 -0.036 0.000 0.962 852 T HN 0.061 nan 8.240 nan 0.000 0.516 853 E N 0.534 120.689 120.200 -0.077 0.000 2.465 853 E HA 0.607 4.935 4.350 -0.036 0.000 0.209 853 E C 0.416 176.998 176.600 -0.029 0.000 0.951 853 E CA 0.172 56.536 56.400 -0.061 0.000 0.997 853 E CB 1.186 30.830 29.700 -0.094 0.000 1.025 853 E HN 0.640 nan 8.360 nan 0.000 0.500 854 A N 0.147 122.957 122.820 -0.017 0.000 2.594 854 A HA 0.577 4.876 4.320 -0.036 0.000 0.291 854 A C -1.125 176.547 177.584 0.146 0.000 1.105 854 A CA -0.734 51.342 52.037 0.065 0.000 0.694 854 A CB 1.188 20.236 19.000 0.080 0.000 1.291 854 A HN 0.052 nan 8.150 nan 0.000 0.410 855 R N 0.401 120.977 120.500 0.126 0.000 2.489 855 R HA 0.264 4.582 4.340 -0.036 0.000 0.287 855 R C -0.994 175.355 176.300 0.080 0.000 1.053 855 R CA -0.298 55.823 56.100 0.034 0.000 1.036 855 R CB 0.157 30.393 30.300 -0.107 0.000 0.966 855 R HN 0.617 nan 8.270 nan 0.000 0.432 856 L N 5.647 126.879 121.223 0.015 0.000 2.278 856 L HA 0.154 4.472 4.340 -0.036 0.000 0.287 856 L C 0.505 177.252 176.870 -0.204 0.000 1.072 856 L CA 0.246 55.035 54.840 -0.085 0.000 0.819 856 L CB 0.858 42.898 42.059 -0.032 0.000 1.176 856 L HN 0.696 nan 8.230 nan 0.000 0.435 857 H N 5.020 124.049 119.070 -0.069 0.000 2.520 857 H HA 0.188 4.722 4.556 -0.036 0.000 0.279 857 H C -0.629 174.732 175.328 0.055 0.000 0.990 857 H CA 0.720 56.769 56.048 0.001 0.000 1.288 857 H CB 0.601 30.378 29.762 0.024 0.000 1.446 857 H HN 0.558 nan 8.280 nan 0.000 0.538 858 F N 0.003 119.869 119.950 -0.141 0.000 2.639 858 F HA 0.508 5.013 4.527 -0.037 0.000 0.320 858 F C -1.737 173.828 175.800 -0.393 0.000 1.128 858 F CA -0.833 57.039 58.000 -0.214 0.000 1.037 858 F CB 1.320 40.214 39.000 -0.178 0.000 1.288 858 F HN -0.126 nan 8.300 nan 0.000 0.463 859 A N 4.516 126.608 122.820 -1.213 0.000 2.545 859 A HA 0.671 4.970 4.320 -0.036 0.000 0.300 859 A C -0.051 176.661 177.584 -1.454 0.000 1.252 859 A CA -0.133 51.112 52.037 -1.320 0.000 0.753 859 A CB 0.319 18.946 19.000 -0.621 0.000 1.144 859 A HN 1.194 nan 8.150 nan 0.000 0.457 860 G N 2.088 109.948 108.800 -1.567 0.000 2.636 860 G HA2 0.505 4.443 3.960 -0.036 0.000 0.246 860 G HA3 0.505 4.443 3.960 -0.036 0.000 0.246 860 G C -2.671 171.978 174.900 -0.419 0.000 1.216 860 G CA -0.970 43.605 45.100 -0.875 0.000 0.854 860 G HN 0.474 nan 8.290 nan 0.000 0.572 861 P HA 0.490 nan 4.420 nan 0.000 0.293 861 P C -0.680 176.567 177.300 -0.088 0.000 1.300 861 P CA -0.203 62.820 63.100 -0.127 0.000 0.792 861 P CB 1.635 33.281 31.700 -0.089 0.000 0.925 862 A N 4.838 127.620 122.820 -0.064 0.000 2.337 862 A HA 0.777 5.076 4.320 -0.036 0.000 0.329 862 A C -2.401 175.120 177.584 -0.104 0.000 1.146 862 A CA -1.579 50.427 52.037 -0.051 0.000 0.800 862 A CB -0.098 18.936 19.000 0.058 0.000 1.220 862 A HN 0.368 nan 8.150 nan 0.000 0.472 863 P HA 0.493 nan 4.420 nan 0.000 0.274 863 P C 0.256 177.495 177.300 -0.103 0.000 1.237 863 P CA -0.035 62.887 63.100 -0.296 0.000 0.793 863 P CB 0.281 31.571 31.700 -0.683 0.000 0.977 864 E N 0.420 120.602 120.200 -0.029 0.000 2.481 864 E HA 0.428 4.756 4.350 -0.036 0.000 0.263 864 E C 0.775 177.497 176.600 0.204 0.000 0.992 864 E CA 0.433 56.873 56.400 0.067 0.000 0.938 864 E CB -0.660 29.062 29.700 0.037 0.000 0.933 864 E HN 0.945 nan 8.360 nan 0.000 0.453 865 G N -0.677 108.252 108.800 0.215 0.000 2.362 865 G HA2 -0.086 3.852 3.960 -0.036 0.000 0.517 865 G HA3 -0.086 3.852 3.960 -0.036 0.000 0.517 865 G C 0.360 175.360 174.900 0.167 0.000 1.256 865 G CA -0.241 44.994 45.100 0.225 0.000 1.027 865 G HN 1.365 nan 8.290 nan 0.000 0.491 866 C N 1.546 120.810 119.300 -0.059 0.000 3.479 866 C HA 0.497 4.935 4.460 -0.036 0.000 0.546 866 C C 0.044 174.818 174.990 -0.360 0.000 1.207 866 C CA 0.055 58.956 59.018 -0.194 0.000 1.334 866 C CB -3.162 24.424 27.740 -0.257 0.000 1.611 866 C HN 0.335 nan 8.230 nan 0.000 0.640 867 F N -0.129 119.825 119.950 0.007 0.000 2.508 867 F HA 0.590 5.094 4.527 -0.038 0.000 0.325 867 F C 0.099 175.919 175.800 0.035 0.000 1.090 867 F CA -0.663 57.349 58.000 0.020 0.000 0.945 867 F CB 1.261 40.271 39.000 0.017 0.000 1.156 867 F HN -0.183 nan 8.300 nan 0.000 0.463 868 V N 2.818 122.865 119.914 0.223 0.000 2.483 868 V HA 0.693 4.791 4.120 -0.036 0.000 0.297 868 V C -0.078 176.135 176.094 0.199 0.000 1.027 868 V CA -1.009 61.404 62.300 0.187 0.000 0.855 868 V CB 1.366 33.271 31.823 0.137 0.000 0.995 868 V HN 0.937 nan 8.190 nan 0.000 0.424 869 A N 6.917 129.849 122.820 0.187 0.000 2.313 869 A HA 0.776 5.075 4.320 -0.036 0.000 0.261 869 A C -2.522 175.110 177.584 0.080 0.000 1.090 869 A CA -1.496 50.590 52.037 0.081 0.000 0.807 869 A CB 0.022 18.991 19.000 -0.051 0.000 1.055 869 A HN 0.643 nan 8.150 nan 0.000 0.492 870 P HA 0.216 nan 4.420 nan 0.000 0.264 870 P C -0.906 176.251 177.300 -0.239 0.000 1.183 870 P CA 0.924 63.774 63.100 -0.416 0.000 0.763 870 P CB 0.221 31.272 31.700 -1.082 0.000 0.807 871 H N 1.395 120.405 119.070 -0.099 0.000 2.717 871 H HA 0.597 5.131 4.556 -0.036 0.000 0.366 871 H C -0.380 174.931 175.328 -0.027 0.000 1.132 871 H CA -0.438 55.537 56.048 -0.122 0.000 1.180 871 H CB 1.192 30.883 29.762 -0.118 0.000 1.678 871 H HN 0.235 nan 8.280 nan 0.000 0.537 872 I N 3.556 124.079 120.570 -0.079 0.000 2.447 872 I HA 0.286 4.434 4.170 -0.036 0.000 0.287 872 I C -1.063 174.918 176.117 -0.227 0.000 1.023 872 I CA -0.376 60.927 61.300 0.004 0.000 1.083 872 I CB 1.026 39.121 38.000 0.159 0.000 1.245 872 I HN 0.331 nan 8.210 nan 0.000 0.434 873 F N 3.709 123.740 119.950 0.134 0.000 2.522 873 F HA 0.453 4.959 4.527 -0.036 0.000 0.324 873 F C 0.329 176.250 175.800 0.202 0.000 1.077 873 F CA -0.692 57.394 58.000 0.144 0.000 0.944 873 F CB 1.795 40.852 39.000 0.095 0.000 1.175 873 F HN 0.391 nan 8.300 nan 0.000 0.468 874 E N 2.732 123.181 120.200 0.415 0.000 2.151 874 E HA 0.477 4.806 4.350 -0.036 0.000 0.275 874 E C -1.582 175.161 176.600 0.237 0.000 0.936 874 E CA -0.782 55.811 56.400 0.322 0.000 0.777 874 E CB 1.040 30.971 29.700 0.386 0.000 1.108 874 E HN 0.397 nan 8.360 nan 0.000 0.401 875 L N 3.616 124.952 121.223 0.188 0.000 2.379 875 L HA 0.250 4.568 4.340 -0.036 0.000 0.269 875 L C 1.404 178.342 176.870 0.113 0.000 1.084 875 L CA 0.053 54.973 54.840 0.133 0.000 0.802 875 L CB 1.412 43.533 42.059 0.103 0.000 1.175 875 L HN 0.732 nan 8.230 nan 0.000 0.448 876 T N 0.508 115.119 114.554 0.094 0.000 2.777 876 T HA -0.037 4.292 4.350 -0.036 0.000 0.266 876 T C 0.297 175.057 174.700 0.100 0.000 1.040 876 T CA 1.156 63.311 62.100 0.091 0.000 1.141 876 T CB -0.041 68.871 68.868 0.072 0.000 0.868 876 T HN 0.714 nan 8.240 nan 0.000 0.444 877 E N -0.922 119.333 120.200 0.091 0.000 2.383 877 E HA 0.715 5.044 4.350 -0.036 0.000 0.275 877 E C 0.530 177.184 176.600 0.090 0.000 0.918 877 E CA -0.622 55.841 56.400 0.106 0.000 0.764 877 E CB 1.583 31.342 29.700 0.097 0.000 1.252 877 E HN -0.057 nan 8.360 nan 0.000 0.449 878 A N 2.009 124.904 122.820 0.125 0.000 1.972 878 A HA -0.069 4.230 4.320 -0.036 0.000 0.219 878 A C 1.982 179.612 177.584 0.076 0.000 1.169 878 A CA 1.814 53.911 52.037 0.100 0.000 0.635 878 A CB -1.213 17.941 19.000 0.256 0.000 0.810 878 A HN 0.784 nan 8.150 nan 0.000 0.446 879 G N -0.740 108.110 108.800 0.084 0.000 2.516 879 G HA2 -0.242 3.696 3.960 -0.036 0.000 0.221 879 G HA3 -0.242 3.696 3.960 -0.036 0.000 0.221 879 G C 1.449 176.374 174.900 0.042 0.000 1.107 879 G CA 0.938 46.076 45.100 0.063 0.000 0.747 879 G HN 0.699 nan 8.290 nan 0.000 0.567 880 Q N -1.210 118.611 119.800 0.034 0.000 2.297 880 Q HA 0.100 4.418 4.340 -0.036 0.000 0.204 880 Q C 0.451 176.449 176.000 -0.003 0.000 0.962 880 Q CA 0.036 55.850 55.803 0.018 0.000 0.879 880 Q CB 0.089 28.840 28.738 0.021 0.000 0.947 880 Q HN 0.405 nan 8.270 nan 0.000 0.462 881 L N 1.156 122.361 121.223 -0.030 0.000 2.255 881 L HA 0.137 4.455 4.340 -0.036 0.000 0.289 881 L C 0.470 177.325 176.870 -0.025 0.000 1.046 881 L CA 0.419 55.203 54.840 -0.094 0.000 0.816 881 L CB 1.142 43.059 42.059 -0.237 0.000 1.197 881 L HN 0.013 nan 8.230 nan 0.000 0.427 882 T N -0.157 114.400 114.554 0.004 0.000 3.043 882 T HA 0.397 4.725 4.350 -0.036 0.000 0.272 882 T C 0.178 174.919 174.700 0.068 0.000 0.990 882 T CA -0.221 61.909 62.100 0.050 0.000 0.897 882 T CB -0.019 68.883 68.868 0.057 0.000 1.111 882 T HN 0.572 nan 8.240 nan 0.000 0.529 883 E N 0.850 121.058 120.200 0.013 0.000 2.369 883 E HA 0.463 4.792 4.350 -0.036 0.000 0.270 883 E C -1.170 175.380 176.600 -0.083 0.000 0.909 883 E CA -1.013 55.391 56.400 0.006 0.000 0.775 883 E CB 1.727 31.438 29.700 0.018 0.000 1.270 883 E HN 0.235 nan 8.360 nan 0.000 0.445 884 E N 1.635 121.771 120.200 -0.106 0.000 2.217 884 E HA 0.154 4.483 4.350 -0.036 0.000 0.279 884 E C -1.029 175.570 176.600 -0.002 0.000 1.068 884 E CA -0.320 56.023 56.400 -0.094 0.000 0.882 884 E CB 0.680 30.308 29.700 -0.119 0.000 1.039 884 E HN 0.246 nan 8.360 nan 0.000 0.418 885 V N 6.562 126.465 119.914 -0.018 0.000 2.328 885 V HA 0.143 4.242 4.120 -0.036 0.000 0.278 885 V C -0.143 176.036 176.094 0.141 0.000 1.021 885 V CA -0.589 61.704 62.300 -0.011 0.000 0.838 885 V CB 0.534 32.193 31.823 -0.274 0.000 0.999 885 V HN 0.635 nan 8.190 nan 0.000 0.447 886 F N 4.936 124.917 119.950 0.051 0.000 2.669 886 F HA 0.653 5.158 4.527 -0.036 0.000 0.353 886 F C 0.952 176.841 175.800 0.149 0.000 1.192 886 F CA -0.040 58.026 58.000 0.110 0.000 1.317 886 F CB -0.113 38.985 39.000 0.163 0.000 1.652 886 F HN 0.610 nan 8.300 nan 0.000 0.608 887 G N 1.606 110.431 108.800 0.042 0.000 2.619 887 G HA2 0.343 4.282 3.960 -0.036 0.000 0.305 887 G HA3 0.343 4.282 3.960 -0.036 0.000 0.305 887 G C -3.027 171.943 174.900 0.117 0.000 1.330 887 G CA -0.998 44.149 45.100 0.079 0.000 0.789 887 G HN -0.139 nan 8.290 nan 0.000 0.487 888 P HA 0.334 nan 4.420 nan 0.000 0.225 888 P C -0.593 176.994 177.300 0.478 0.000 1.768 888 P CA 0.146 63.479 63.100 0.388 0.000 0.943 888 P CB -0.534 31.344 31.700 0.297 0.000 1.936 889 I N 1.345 122.131 120.570 0.360 0.000 2.466 889 I HA 0.235 4.383 4.170 -0.036 0.000 0.279 889 I C -0.222 175.987 176.117 0.154 0.000 1.033 889 I CA -1.103 60.383 61.300 0.309 0.000 1.123 889 I CB 1.845 40.002 38.000 0.261 0.000 1.237 889 I HN -0.063 nan 8.210 nan 0.000 0.460 890 L N 7.136 128.481 121.223 0.203 0.000 2.292 890 L HA 0.466 4.784 4.340 -0.036 0.000 0.284 890 L C -0.740 176.091 176.870 -0.066 0.000 1.065 890 L CA 0.270 55.141 54.840 0.051 0.000 0.806 890 L CB 0.417 42.514 42.059 0.064 0.000 1.175 890 L HN 0.418 nan 8.230 nan 0.000 0.431 891 H N 3.228 122.399 119.070 0.168 0.000 2.469 891 H HA 0.718 5.253 4.556 -0.036 0.000 0.342 891 H C -0.881 174.474 175.328 0.045 0.000 1.115 891 H CA -0.747 55.400 56.048 0.166 0.000 1.204 891 H CB 1.746 31.589 29.762 0.135 0.000 1.492 891 H HN 0.404 nan 8.280 nan 0.000 0.499 892 V N 3.499 123.510 119.914 0.162 0.000 2.656 892 V HA 0.408 4.506 4.120 -0.036 0.000 0.307 892 V C -0.630 175.481 176.094 0.029 0.000 1.051 892 V CA -0.801 61.527 62.300 0.047 0.000 0.893 892 V CB 2.131 33.987 31.823 0.055 0.000 0.999 892 V HN 0.515 nan 8.190 nan 0.000 0.426 893 V N 5.061 124.930 119.914 -0.073 0.000 2.531 893 V HA 0.553 4.651 4.120 -0.036 0.000 0.301 893 V C 0.047 176.247 176.094 0.176 0.000 1.034 893 V CA -0.840 61.471 62.300 0.018 0.000 0.865 893 V CB 1.994 33.762 31.823 -0.093 0.000 0.995 893 V HN 1.012 nan 8.190 nan 0.000 0.424 894 R N 4.250 124.872 120.500 0.204 0.000 2.500 894 R HA 0.752 5.071 4.340 -0.036 0.000 0.277 894 R C -1.166 175.331 176.300 0.327 0.000 1.026 894 R CA -0.518 55.722 56.100 0.234 0.000 1.058 894 R CB 1.301 31.672 30.300 0.120 0.000 1.078 894 R HN 0.748 nan 8.270 nan 0.000 0.509 895 Y N -2.724 117.666 120.300 0.150 0.000 2.588 895 Y HA 0.680 5.208 4.550 -0.036 0.000 0.343 895 Y C -0.637 175.324 175.900 0.102 0.000 1.065 895 Y CA -1.365 56.818 58.100 0.138 0.000 1.038 895 Y CB 0.914 39.475 38.460 0.169 0.000 1.297 895 Y HN 0.883 nan 8.280 nan 0.000 0.467 896 R N 1.575 122.142 120.500 0.112 0.000 2.390 896 R HA 0.455 4.774 4.340 -0.036 0.000 0.291 896 R C -2.596 173.760 176.300 0.093 0.000 1.070 896 R CA -1.898 54.219 56.100 0.028 0.000 1.014 896 R CB -0.679 29.667 30.300 0.077 0.000 1.007 896 R HN 0.690 nan 8.270 nan 0.000 0.466 897 P HA -0.247 nan 4.420 nan 0.000 0.217 897 P C 0.860 178.257 177.300 0.161 0.000 1.148 897 P CA 1.479 64.640 63.100 0.101 0.000 0.828 897 P CB 0.422 32.164 31.700 0.071 0.000 0.783 898 E N -1.293 118.979 120.200 0.119 0.000 2.482 898 E HA -0.085 4.244 4.350 -0.036 0.000 0.196 898 E C 0.469 177.130 176.600 0.101 0.000 1.047 898 E CA 0.791 57.247 56.400 0.093 0.000 0.869 898 E CB -0.785 28.950 29.700 0.059 0.000 0.836 898 E HN 0.226 nan 8.360 nan 0.000 0.520 899 N N 0.811 119.604 118.700 0.156 0.000 2.273 899 N HA 0.067 4.785 4.740 -0.036 0.000 0.231 899 N C 1.192 176.757 175.510 0.092 0.000 1.134 899 N CA -0.126 53.003 53.050 0.132 0.000 0.856 899 N CB 0.415 38.996 38.487 0.157 0.000 1.068 899 N HN 0.124 nan 8.380 nan 0.000 0.510 900 L N 1.331 122.609 121.223 0.093 0.000 2.081 900 L HA -0.168 4.150 4.340 -0.036 0.000 0.212 900 L C 2.203 178.997 176.870 -0.126 0.000 1.080 900 L CA 1.879 56.680 54.840 -0.064 0.000 0.754 900 L CB -0.278 41.787 42.059 0.011 0.000 0.893 900 L HN 0.058 nan 8.230 nan 0.000 0.433 901 E N 0.098 120.267 120.200 -0.052 0.000 2.070 901 E HA -0.309 4.019 4.350 -0.036 0.000 0.197 901 E C 2.426 178.979 176.600 -0.079 0.000 1.004 901 E CA 1.860 58.226 56.400 -0.057 0.000 0.805 901 E CB -0.321 29.367 29.700 -0.021 0.000 0.744 901 E HN 0.476 nan 8.360 nan 0.000 0.451 902 R N -0.557 119.909 120.500 -0.058 0.000 2.091 902 R HA -0.124 4.195 4.340 -0.036 0.000 0.238 902 R C 2.290 178.513 176.300 -0.128 0.000 1.136 902 R CA 1.565 57.636 56.100 -0.049 0.000 0.959 902 R CB -0.330 29.974 30.300 0.006 0.000 0.856 902 R HN 0.168 nan 8.270 nan 0.000 0.437 903 V N 0.894 120.643 119.914 -0.274 0.000 2.343 903 V HA -0.247 3.851 4.120 -0.036 0.000 0.247 903 V C 2.235 178.016 176.094 -0.522 0.000 1.051 903 V CA 1.737 63.671 62.300 -0.610 0.000 1.036 903 V CB -0.357 30.866 31.823 -1.000 0.000 0.654 903 V HN 0.334 nan 8.190 nan 0.000 0.451 904 L N -0.731 120.292 121.223 -0.332 0.000 2.093 904 L HA -0.138 4.180 4.340 -0.036 0.000 0.208 904 L C 2.775 179.569 176.870 -0.125 0.000 1.085 904 L CA 1.525 56.237 54.840 -0.213 0.000 0.755 904 L CB -0.605 41.367 42.059 -0.145 0.000 0.904 904 L HN 0.217 nan 8.230 nan 0.000 0.435 905 R N 0.047 120.490 120.500 -0.096 0.000 2.081 905 R HA -0.140 4.178 4.340 -0.036 0.000 0.235 905 R C 2.448 178.736 176.300 -0.020 0.000 1.131 905 R CA 1.347 57.420 56.100 -0.044 0.000 0.960 905 R CB -0.572 29.712 30.300 -0.026 0.000 0.856 905 R HN 0.355 nan 8.270 nan 0.000 0.436 906 A N 1.288 124.092 122.820 -0.025 0.000 1.940 906 A HA -0.166 4.133 4.320 -0.036 0.000 0.219 906 A C 2.139 179.775 177.584 0.087 0.000 1.176 906 A CA 1.358 53.430 52.037 0.058 0.000 0.631 906 A CB -0.476 18.606 19.000 0.137 0.000 0.814 906 A HN 0.203 nan 8.150 nan 0.000 0.446 907 I N -0.841 119.740 120.570 0.019 0.000 2.286 907 I HA -0.197 3.952 4.170 -0.036 0.000 0.245 907 I C 2.367 178.519 176.117 0.058 0.000 1.104 907 I CA 1.318 62.656 61.300 0.064 0.000 1.397 907 I CB -0.416 37.585 38.000 0.002 0.000 1.072 907 I HN 0.377 nan 8.210 nan 0.000 0.417 908 E N 0.477 120.688 120.200 0.018 0.000 2.204 908 E HA -0.212 4.117 4.350 -0.036 0.000 0.195 908 E C 2.228 178.845 176.600 0.028 0.000 0.990 908 E CA 0.485 56.895 56.400 0.017 0.000 0.821 908 E CB -0.074 29.624 29.700 -0.004 0.000 0.750 908 E HN 0.273 nan 8.360 nan 0.000 0.477 909 R N 0.981 121.505 120.500 0.039 0.000 2.115 909 R HA -0.107 4.211 4.340 -0.036 0.000 0.230 909 R C 2.274 178.606 176.300 0.053 0.000 1.111 909 R CA 1.779 57.903 56.100 0.040 0.000 0.976 909 R CB -0.360 29.969 30.300 0.048 0.000 0.870 909 R HN 0.268 nan 8.270 nan 0.000 0.445 910 T N -3.298 111.311 114.554 0.092 0.000 2.915 910 T HA 0.019 4.347 4.350 -0.036 0.000 0.269 910 T C 1.521 176.250 174.700 0.047 0.000 1.071 910 T CA 1.548 63.732 62.100 0.140 0.000 1.132 910 T CB -0.074 68.956 68.868 0.270 0.000 0.878 910 T HN 0.431 nan 8.240 nan 0.000 0.479 911 G N -0.103 108.698 108.800 0.002 0.000 2.241 911 G HA2 -0.231 3.708 3.960 -0.036 0.000 0.244 911 G HA3 -0.231 3.708 3.960 -0.036 0.000 0.244 911 G C 0.024 174.826 174.900 -0.164 0.000 0.998 911 G CA 0.148 45.179 45.100 -0.115 0.000 0.621 911 G HN 0.636 nan 8.290 nan 0.000 0.519 912 Y N 0.263 120.583 120.300 0.033 0.000 2.281 912 Y HA 0.471 5.000 4.550 -0.035 0.000 0.337 912 Y C 1.348 177.265 175.900 0.028 0.000 1.304 912 Y CA 0.819 58.941 58.100 0.036 0.000 1.465 912 Y CB 1.448 39.939 38.460 0.053 0.000 1.350 912 Y HN 0.516 nan 8.280 nan 0.000 0.575 913 G N 1.078 110.000 108.800 0.202 0.000 4.809 913 G HA2 0.245 4.183 3.960 -0.036 0.000 0.225 913 G HA3 0.245 4.183 3.960 -0.036 0.000 0.225 913 G C -0.577 174.356 174.900 0.055 0.000 1.929 913 G CA -0.242 44.917 45.100 0.099 0.000 0.616 913 G HN 0.504 nan 8.290 nan 0.000 0.286 914 L N 0.830 122.096 121.223 0.073 0.000 2.370 914 L HA 0.585 4.904 4.340 -0.036 0.000 0.191 914 L C 1.400 178.266 176.870 -0.008 0.000 1.203 914 L CA 2.047 56.885 54.840 -0.003 0.000 0.825 914 L CB 0.016 42.109 42.059 0.058 0.000 1.048 914 L HN 0.337 nan 8.230 nan 0.000 0.487 915 T N -1.239 113.374 114.554 0.098 0.000 2.912 915 T HA 0.596 4.924 4.350 -0.036 0.000 0.288 915 T C -0.953 173.840 174.700 0.156 0.000 1.030 915 T CA -0.535 61.665 62.100 0.167 0.000 1.020 915 T CB 1.946 71.007 68.868 0.321 0.000 1.056 915 T HN 0.215 nan 8.240 nan 0.000 0.480 916 L N 1.359 122.682 121.223 0.165 0.000 2.436 916 L HA 0.803 5.121 4.340 -0.036 0.000 0.268 916 L C -0.189 176.797 176.870 0.193 0.000 0.974 916 L CA -0.170 54.760 54.840 0.150 0.000 0.826 916 L CB 1.873 43.986 42.059 0.091 0.000 1.291 916 L HN 1.080 nan 8.230 nan 0.000 0.406 917 G N 3.702 112.620 108.800 0.196 0.000 2.356 917 G HA2 0.621 4.559 3.960 -0.036 0.000 0.322 917 G HA3 0.621 4.559 3.960 -0.036 0.000 0.322 917 G C -1.547 173.466 174.900 0.189 0.000 1.125 917 G CA -0.496 44.734 45.100 0.216 0.000 0.885 917 G HN 0.540 nan 8.290 nan 0.000 0.467 918 V N 2.461 122.471 119.914 0.160 0.000 2.525 918 V HA 0.328 4.427 4.120 -0.036 0.000 0.299 918 V C -1.053 175.096 176.094 0.091 0.000 1.034 918 V CA -0.863 61.516 62.300 0.132 0.000 0.863 918 V CB 1.554 33.421 31.823 0.072 0.000 0.999 918 V HN 0.849 nan 8.190 nan 0.000 0.423 919 H N 2.258 121.384 119.070 0.094 0.000 2.638 919 H HA 0.784 5.319 4.556 -0.036 0.000 0.317 919 H C -0.183 175.195 175.328 0.084 0.000 1.006 919 H CA 0.243 56.341 56.048 0.084 0.000 1.222 919 H CB 1.589 31.398 29.762 0.080 0.000 1.419 919 H HN 0.741 nan 8.280 nan 0.000 0.489 920 S N 2.381 118.148 115.700 0.111 0.000 2.580 920 S HA 0.189 4.638 4.470 -0.036 0.000 0.281 920 S C 0.304 174.942 174.600 0.062 0.000 1.129 920 S CA -0.865 57.395 58.200 0.099 0.000 0.862 920 S CB 1.264 64.520 63.200 0.094 0.000 1.090 920 S HN 0.767 nan 8.310 nan 0.000 0.451 921 R N 2.279 122.818 120.500 0.066 0.000 2.200 921 R HA 0.339 4.658 4.340 -0.036 0.000 0.208 921 R C 0.152 176.478 176.300 0.044 0.000 1.033 921 R CA 0.606 56.736 56.100 0.050 0.000 1.000 921 R CB -0.048 30.284 30.300 0.053 0.000 0.906 921 R HN 0.699 nan 8.270 nan 0.000 0.462 922 I N 2.164 122.765 120.570 0.053 0.000 2.278 922 I HA -0.006 4.142 4.170 -0.036 0.000 0.296 922 I C 0.248 176.388 176.117 0.038 0.000 1.121 922 I CA -0.398 60.932 61.300 0.050 0.000 1.267 922 I CB 1.209 39.248 38.000 0.065 0.000 1.447 922 I HN 0.049 nan 8.210 nan 0.000 0.509 923 D N 3.740 124.156 120.400 0.026 0.000 2.149 923 D HA -0.207 4.411 4.640 -0.036 0.000 0.194 923 D C 1.466 177.777 176.300 0.018 0.000 1.001 923 D CA 1.607 55.617 54.000 0.018 0.000 0.849 923 D CB 0.117 40.923 40.800 0.010 0.000 0.939 923 D HN 0.511 nan 8.370 nan 0.000 0.449 924 D N -0.072 120.340 120.400 0.020 0.000 2.178 924 D HA -0.058 4.561 4.640 -0.036 0.000 0.201 924 D C 2.073 178.390 176.300 0.028 0.000 0.980 924 D CA 0.640 54.652 54.000 0.020 0.000 0.842 924 D CB -0.029 40.784 40.800 0.022 0.000 0.948 924 D HN 0.081 nan 8.370 nan 0.000 0.472 925 S N 0.604 116.327 115.700 0.039 0.000 2.357 925 S HA -0.054 4.394 4.470 -0.036 0.000 0.221 925 S C 2.249 176.870 174.600 0.034 0.000 1.031 925 S CA 0.345 58.572 58.200 0.045 0.000 0.982 925 S CB -0.073 63.166 63.200 0.066 0.000 0.853 925 S HN 0.222 nan 8.310 nan 0.000 0.458 926 I N 1.701 122.290 120.570 0.032 0.000 2.151 926 I HA -0.251 3.897 4.170 -0.036 0.000 0.243 926 I C 2.476 178.600 176.117 0.012 0.000 1.080 926 I CA 1.455 62.768 61.300 0.023 0.000 1.339 926 I CB -0.376 37.634 38.000 0.017 0.000 1.039 926 I HN 0.324 nan 8.210 nan 0.000 0.409 927 E N 0.567 120.773 120.200 0.010 0.000 2.152 927 E HA -0.144 4.184 4.350 -0.036 0.000 0.192 927 E C 2.332 178.933 176.600 0.002 0.000 0.983 927 E CA 1.055 57.457 56.400 0.004 0.000 0.818 927 E CB -0.164 29.538 29.700 0.003 0.000 0.758 927 E HN 0.519 nan 8.360 nan 0.000 0.467 928 A N 1.069 123.893 122.820 0.006 0.000 1.898 928 A HA -0.162 4.136 4.320 -0.036 0.000 0.216 928 A C 2.146 179.727 177.584 -0.006 0.000 1.181 928 A CA 0.991 53.029 52.037 0.002 0.000 0.620 928 A CB -0.517 18.488 19.000 0.009 0.000 0.819 928 A HN 0.135 nan 8.150 nan 0.000 0.442 929 I N -0.354 120.213 120.570 -0.005 0.000 2.179 929 I HA -0.265 3.883 4.170 -0.036 0.000 0.242 929 I C 2.304 178.412 176.117 -0.015 0.000 1.088 929 I CA 1.370 62.661 61.300 -0.015 0.000 1.357 929 I CB -0.345 37.650 38.000 -0.009 0.000 1.051 929 I HN 0.300 nan 8.210 nan 0.000 0.409 930 I N 0.798 121.362 120.570 -0.010 0.000 2.163 930 I HA -0.346 3.802 4.170 -0.036 0.000 0.243 930 I C 2.266 178.374 176.117 -0.016 0.000 1.085 930 I CA 1.937 63.229 61.300 -0.014 0.000 1.347 930 I CB -0.491 37.501 38.000 -0.014 0.000 1.044 930 I HN 0.300 nan 8.210 nan 0.000 0.408 931 D N 0.644 121.036 120.400 -0.013 0.000 2.149 931 D HA -0.270 4.348 4.640 -0.036 0.000 0.198 931 D C 2.236 178.527 176.300 -0.015 0.000 0.990 931 D CA 1.361 55.354 54.000 -0.013 0.000 0.839 931 D CB 0.064 40.859 40.800 -0.009 0.000 0.948 931 D HN 0.020 nan 8.370 nan 0.000 0.460 932 R N 0.427 120.917 120.500 -0.018 0.000 2.075 932 R HA 0.058 4.376 4.340 -0.036 0.000 0.226 932 R C 0.425 176.711 176.300 -0.022 0.000 1.114 932 R CA 1.159 57.246 56.100 -0.022 0.000 0.972 932 R CB -0.568 29.714 30.300 -0.029 0.000 0.869 932 R HN 0.174 nan 8.270 nan 0.000 0.437 933 V N -0.874 119.026 119.914 -0.022 0.000 2.863 933 V HA 0.345 4.444 4.120 -0.036 0.000 0.307 933 V C 0.269 176.353 176.094 -0.016 0.000 1.061 933 V CA -0.516 61.774 62.300 -0.018 0.000 1.024 933 V CB 1.788 33.602 31.823 -0.014 0.000 1.049 933 V HN 0.301 nan 8.190 nan 0.000 0.471 934 Q N 1.092 120.884 119.800 -0.013 0.000 2.194 934 Q HA 0.321 4.639 4.340 -0.036 0.000 0.214 934 Q C 0.092 176.081 176.000 -0.018 0.000 0.838 934 Q CA -0.278 55.515 55.803 -0.017 0.000 0.972 934 Q CB 1.359 30.088 28.738 -0.016 0.000 1.131 934 Q HN 0.782 nan 8.270 nan 0.000 0.498 935 V N 0.613 120.520 119.914 -0.011 0.000 2.843 935 V HA -0.125 3.973 4.120 -0.036 0.000 0.305 935 V C 1.640 177.706 176.094 -0.047 0.000 1.120 935 V CA 1.237 63.529 62.300 -0.013 0.000 1.254 935 V CB 0.778 32.605 31.823 0.006 0.000 0.901 935 V HN 0.477 nan 8.190 nan 0.000 0.503 936 G N 3.376 112.132 108.800 -0.074 0.000 2.408 936 G HA2 -0.103 3.835 3.960 -0.036 0.000 0.217 936 G HA3 -0.103 3.835 3.960 -0.036 0.000 0.217 936 G C 0.444 175.254 174.900 -0.150 0.000 1.150 936 G CA 0.340 45.367 45.100 -0.121 0.000 0.776 936 G HN 0.712 nan 8.290 nan 0.000 0.542 937 N N -0.510 118.096 118.700 -0.157 0.000 2.461 937 N HA 0.514 5.232 4.740 -0.036 0.000 0.284 937 N C -1.284 174.097 175.510 -0.214 0.000 1.049 937 N CA -0.376 52.542 53.050 -0.220 0.000 0.889 937 N CB 2.411 40.798 38.487 -0.166 0.000 1.365 937 N HN -0.006 nan 8.380 nan 0.000 0.499 938 I N 2.528 122.927 120.570 -0.284 0.000 2.378 938 I HA 0.336 4.484 4.170 -0.036 0.000 0.291 938 I C -0.913 175.033 176.117 -0.284 0.000 0.992 938 I CA -0.729 60.470 61.300 -0.168 0.000 1.154 938 I CB 0.835 38.785 38.000 -0.084 0.000 1.315 938 I HN 0.391 nan 8.210 nan 0.000 0.448 939 Y N 5.092 125.413 120.300 0.034 0.000 2.328 939 Y HA 0.490 5.019 4.550 -0.035 0.000 0.336 939 Y C -0.191 175.705 175.900 -0.006 0.000 0.960 939 Y CA -0.915 57.199 58.100 0.022 0.000 1.134 939 Y CB 1.961 40.447 38.460 0.043 0.000 1.166 939 Y HN 0.167 nan 8.280 nan 0.000 0.464 940 V N 4.191 124.162 119.914 0.095 0.000 2.357 940 V HA 0.236 4.335 4.120 -0.036 0.000 0.284 940 V C -0.244 175.776 176.094 -0.124 0.000 1.018 940 V CA -1.098 61.191 62.300 -0.019 0.000 0.841 940 V CB 1.091 32.904 31.823 -0.018 0.000 0.991 940 V HN 0.960 nan 8.190 nan 0.000 0.437 941 N N 3.253 121.709 118.700 -0.408 0.000 2.747 941 N HA -0.194 4.524 4.740 -0.036 0.000 0.249 941 N C 0.036 175.370 175.510 -0.293 0.000 1.107 941 N CA 1.476 54.141 53.050 -0.642 0.000 0.707 941 N CB -0.684 37.648 38.487 -0.258 0.000 1.054 941 N HN 1.005 nan 8.380 nan 0.000 0.555 942 R N -2.188 118.228 120.500 -0.140 0.000 2.762 942 R HA 0.522 4.840 4.340 -0.036 0.000 0.271 942 R C -0.295 176.065 176.300 0.100 0.000 1.038 942 R CA -0.907 55.223 56.100 0.049 0.000 0.906 942 R CB 0.384 30.709 30.300 0.041 0.000 1.259 942 R HN 0.025 nan 8.270 nan 0.000 0.457 943 N N 0.037 118.744 118.700 0.012 0.000 2.326 943 N HA 0.066 4.785 4.740 -0.036 0.000 0.239 943 N C 0.063 175.393 175.510 -0.301 0.000 1.301 943 N CA -0.316 52.691 53.050 -0.072 0.000 0.909 943 N CB 0.353 38.785 38.487 -0.093 0.000 1.156 943 N HN 0.763 nan 8.380 nan 0.000 0.462 944 M N -0.462 118.953 119.600 -0.308 0.000 2.419 944 M HA 0.302 4.761 4.480 -0.036 0.000 0.252 944 M C -0.068 175.883 176.300 -0.582 0.000 1.143 944 M CA -0.080 54.917 55.300 -0.504 0.000 0.985 944 M CB -0.334 32.246 32.600 -0.032 0.000 1.489 944 M HN 0.621 nan 8.290 nan 0.000 0.484 945 I N -4.388 115.902 120.570 -0.467 0.000 3.067 945 I HA 0.914 5.063 4.170 -0.036 0.000 0.312 945 I C 0.656 176.624 176.117 -0.249 0.000 1.073 945 I CA -0.898 60.248 61.300 -0.257 0.000 1.016 945 I CB 1.607 39.531 38.000 -0.127 0.000 1.227 945 I HN 0.205 nan 8.210 nan 0.000 0.456 946 G N 2.134 110.825 108.800 -0.182 0.000 2.212 946 G HA2 -0.023 3.916 3.960 -0.036 0.000 0.255 946 G HA3 -0.023 3.916 3.960 -0.036 0.000 0.255 946 G C 0.333 175.136 174.900 -0.162 0.000 1.062 946 G CA -0.036 44.966 45.100 -0.163 0.000 0.815 946 G HN 1.427 nan 8.290 nan 0.000 0.497 947 A N -0.812 121.899 122.820 -0.181 0.000 2.584 947 A HA 0.469 4.768 4.320 -0.036 0.000 0.239 947 A C 0.825 178.299 177.584 -0.184 0.000 1.043 947 A CA 0.872 52.866 52.037 -0.072 0.000 0.756 947 A CB 0.562 19.531 19.000 -0.052 0.000 0.963 947 A HN 1.377 nan 8.150 nan 0.000 0.511 948 V N 4.602 124.437 119.914 -0.132 0.000 2.394 948 V HA 0.182 4.281 4.120 -0.036 0.000 0.282 948 V C 0.446 176.337 176.094 -0.338 0.000 1.031 948 V CA -0.665 61.508 62.300 -0.212 0.000 0.881 948 V CB 1.449 33.212 31.823 -0.100 0.000 0.982 948 V HN 0.663 nan 8.190 nan 0.000 0.451 949 V N 5.270 124.866 119.914 -0.531 0.000 2.584 949 V HA 0.279 4.378 4.120 -0.036 0.000 0.303 949 V C 1.565 177.166 176.094 -0.822 0.000 1.035 949 V CA 1.719 63.568 62.300 -0.751 0.000 1.172 949 V CB 0.029 31.265 31.823 -0.979 0.000 0.896 949 V HN 1.316 nan 8.190 nan 0.000 0.486 950 G N 3.453 111.663 108.800 -0.983 0.000 2.205 950 G HA2 -0.248 3.691 3.960 -0.036 0.000 0.261 950 G HA3 -0.248 3.691 3.960 -0.036 0.000 0.261 950 G C 0.461 175.082 174.900 -0.465 0.000 0.980 950 G CA 0.486 44.990 45.100 -0.993 0.000 0.632 950 G HN 0.695 nan 8.290 nan 0.000 0.533 951 V N -0.785 118.929 119.914 -0.333 0.000 2.840 951 V HA 0.277 4.376 4.120 -0.036 0.000 0.234 951 V C 1.115 177.162 176.094 -0.078 0.000 1.159 951 V CA 1.729 63.954 62.300 -0.126 0.000 1.194 951 V CB 0.418 32.223 31.823 -0.030 0.000 0.971 951 V HN 0.283 nan 8.190 nan 0.000 0.494 952 Q N 1.109 120.864 119.800 -0.076 0.000 2.560 952 Q HA 0.369 4.688 4.340 -0.036 0.000 0.238 952 Q C -2.720 173.275 176.000 -0.007 0.000 1.079 952 Q CA -1.726 54.068 55.803 -0.016 0.000 0.866 952 Q CB 1.114 29.901 28.738 0.083 0.000 1.153 952 Q HN 0.300 nan 8.270 nan 0.000 0.530 953 P HA -0.109 nan 4.420 nan 0.000 0.261 953 P C -1.158 176.197 177.300 0.092 0.000 1.183 953 P CA 0.329 63.438 63.100 0.015 0.000 0.761 953 P CB 0.221 31.944 31.700 0.037 0.000 0.785 954 F N 3.500 123.431 119.950 -0.031 0.000 2.469 954 F HA 0.735 5.241 4.527 -0.034 0.000 0.332 954 F C 0.316 176.133 175.800 0.028 0.000 1.103 954 F CA 0.281 58.278 58.000 -0.004 0.000 0.979 954 F CB 1.804 40.794 39.000 -0.016 0.000 1.137 954 F HN 0.546 nan 8.300 nan 0.000 0.463 955 G N 2.648 110.996 108.800 -0.755 0.000 2.318 955 G HA2 0.440 4.378 3.960 -0.036 0.000 0.302 955 G HA3 0.440 4.378 3.960 -0.036 0.000 0.302 955 G C -1.422 173.282 174.900 -0.328 0.000 1.633 955 G CA -0.332 44.498 45.100 -0.450 0.000 0.965 955 G HN 1.116 nan 8.290 nan 0.000 0.698 956 G N -0.018 108.657 108.800 -0.209 0.000 3.016 956 G HA2 0.852 4.791 3.960 -0.036 0.000 0.270 956 G HA3 0.852 4.791 3.960 -0.036 0.000 0.270 956 G C -0.151 174.727 174.900 -0.037 0.000 1.352 956 G CA -0.201 44.829 45.100 -0.116 0.000 1.060 956 G HN 1.144 nan 8.290 nan 0.000 0.538 957 N N -1.804 116.888 118.700 -0.014 0.000 3.283 957 N HA 0.582 5.300 4.740 -0.036 0.000 0.338 957 N C 0.766 176.276 175.510 0.000 0.000 1.517 957 N CA -0.095 52.952 53.050 -0.006 0.000 0.733 957 N CB 0.779 39.256 38.487 -0.017 0.000 1.797 957 N HN 1.316 nan 8.380 nan 0.000 0.637 958 G N 0.653 109.442 108.800 -0.019 0.000 2.596 958 G HA2 -0.329 3.609 3.960 -0.036 0.000 0.295 958 G HA3 -0.329 3.609 3.960 -0.036 0.000 0.295 958 G C 0.597 175.458 174.900 -0.065 0.000 1.240 958 G CA 0.656 45.727 45.100 -0.047 0.000 0.985 958 G HN 0.524 nan 8.290 nan 0.000 0.555 959 L N 0.970 122.096 121.223 -0.161 0.000 2.622 959 L HA 0.069 4.388 4.340 -0.036 0.000 0.233 959 L C 2.619 179.499 176.870 0.018 0.000 1.156 959 L CA 1.256 55.958 54.840 -0.231 0.000 0.866 959 L CB -0.195 41.395 42.059 -0.782 0.000 0.980 959 L HN 0.395 nan 8.230 nan 0.000 0.448 960 S N -0.719 115.049 115.700 0.114 0.000 2.548 960 S HA 0.336 4.785 4.470 -0.036 0.000 0.215 960 S C 0.756 175.426 174.600 0.118 0.000 0.976 960 S CA 0.514 58.834 58.200 0.200 0.000 0.908 960 S CB 0.593 63.905 63.200 0.187 0.000 0.781 960 S HN 0.599 nan 8.310 nan 0.000 0.519 961 G N 0.370 109.217 108.800 0.078 0.000 2.321 961 G HA2 0.273 4.211 3.960 -0.036 0.000 0.298 961 G HA3 0.273 4.211 3.960 -0.036 0.000 0.298 961 G C 0.193 175.122 174.900 0.048 0.000 1.385 961 G CA -0.002 45.143 45.100 0.075 0.000 0.856 961 G HN 0.062 nan 8.290 nan 0.000 0.584 962 T N -2.142 112.446 114.554 0.057 0.000 3.040 962 T HA 0.518 4.846 4.350 -0.036 0.000 0.252 962 T C 1.626 176.345 174.700 0.031 0.000 1.064 962 T CA 1.283 63.403 62.100 0.034 0.000 1.110 962 T CB 0.033 68.920 68.868 0.031 0.000 0.921 962 T HN 2.717 nan 8.240 nan 0.000 0.480 963 G N 2.473 111.307 108.800 0.058 0.000 2.829 963 G HA2 0.026 3.965 3.960 -0.036 0.000 0.628 963 G HA3 0.026 3.965 3.960 -0.036 0.000 0.628 963 G C -3.004 171.946 174.900 0.083 0.000 1.412 963 G CA -0.659 44.488 45.100 0.078 0.000 0.864 963 G HN 0.511 nan 8.290 nan 0.000 0.544 964 P HA 0.367 nan 4.420 nan 0.000 0.275 964 P C -0.188 177.313 177.300 0.335 0.000 1.266 964 P CA -0.406 62.820 63.100 0.210 0.000 0.793 964 P CB 0.456 32.313 31.700 0.263 0.000 1.074 965 K N 0.417 120.986 120.400 0.283 0.000 2.339 965 K HA 0.421 4.719 4.320 -0.036 0.000 0.286 965 K C 0.298 177.005 176.600 0.177 0.000 1.050 965 K CA -0.340 56.070 56.287 0.205 0.000 0.956 965 K CB 0.179 32.757 32.500 0.130 0.000 0.990 965 K HN 0.475 nan 8.250 nan 0.000 0.475 966 A N 2.240 125.042 122.820 -0.031 0.000 2.531 966 A HA 0.332 4.631 4.320 -0.036 0.000 0.236 966 A C 1.218 178.785 177.584 -0.030 0.000 1.062 966 A CA 0.645 52.402 52.037 -0.465 0.000 0.760 966 A CB -0.390 18.491 19.000 -0.199 0.000 0.995 966 A HN 0.981 nan 8.150 nan 0.000 0.501 967 G N 0.940 109.811 108.800 0.118 0.000 2.198 967 G HA2 0.143 4.082 3.960 -0.036 0.000 0.260 967 G HA3 0.143 4.082 3.960 -0.036 0.000 0.260 967 G C 0.694 175.521 174.900 -0.122 0.000 1.025 967 G CA 0.854 45.940 45.100 -0.023 0.000 0.769 967 G HN 2.070 nan 8.290 nan 0.000 0.507 968 G N -1.318 107.614 108.800 0.220 0.000 2.730 968 G HA2 0.803 4.742 3.960 -0.036 0.000 0.289 968 G HA3 0.803 4.742 3.960 -0.036 0.000 0.289 968 G C -1.316 173.819 174.900 0.392 0.000 1.341 968 G CA -0.360 44.881 45.100 0.235 0.000 0.932 968 G HN 0.030 nan 8.290 nan 0.000 0.481 969 P HA 0.032 nan 4.420 nan 0.000 0.245 969 P C 0.314 177.513 177.300 -0.169 0.000 1.212 969 P CA 0.786 63.880 63.100 -0.010 0.000 0.774 969 P CB 0.222 31.812 31.700 -0.184 0.000 0.999 970 H N -2.992 116.201 119.070 0.205 0.000 2.594 970 H HA 0.135 4.669 4.556 -0.036 0.000 0.279 970 H C 1.114 176.581 175.328 0.230 0.000 1.042 970 H CA -0.244 55.904 56.048 0.166 0.000 1.177 970 H CB 0.112 29.948 29.762 0.124 0.000 1.524 970 H HN 0.107 nan 8.280 nan 0.000 0.537 971 Y N 1.619 122.059 120.300 0.233 0.000 2.176 971 Y HA -0.078 4.451 4.550 -0.035 0.000 0.291 971 Y C 2.285 178.346 175.900 0.268 0.000 1.122 971 Y CA 0.974 59.223 58.100 0.248 0.000 1.128 971 Y CB -0.315 38.317 38.460 0.287 0.000 1.005 971 Y HN 0.025 nan 8.280 nan 0.000 0.509 972 L N -0.575 120.791 121.223 0.239 0.000 2.083 972 L HA -0.225 4.094 4.340 -0.036 0.000 0.209 972 L C 2.678 179.731 176.870 0.305 0.000 1.083 972 L CA 1.156 56.111 54.840 0.192 0.000 0.752 972 L CB -1.054 41.092 42.059 0.146 0.000 0.899 972 L HN 0.294 nan 8.230 nan 0.000 0.433 973 A N 0.230 123.161 122.820 0.185 0.000 1.940 973 A HA -0.280 4.019 4.320 -0.036 0.000 0.219 973 A C 2.328 179.996 177.584 0.141 0.000 1.176 973 A CA 1.913 54.050 52.037 0.167 0.000 0.631 973 A CB -0.523 18.533 19.000 0.094 0.000 0.814 973 A HN 0.279 nan 8.150 nan 0.000 0.446 974 R N -1.146 119.385 120.500 0.052 0.000 2.193 974 R HA -0.049 4.269 4.340 -0.036 0.000 0.229 974 R C 1.004 177.204 176.300 -0.167 0.000 1.110 974 R CA 1.318 57.355 56.100 -0.104 0.000 0.988 974 R CB -0.681 29.455 30.300 -0.273 0.000 0.871 974 R HN 0.527 nan 8.270 nan 0.000 0.458 975 F N -0.753 119.121 119.950 -0.126 0.000 2.797 975 F HA 0.352 4.857 4.527 -0.036 0.000 0.302 975 F C 0.912 176.712 175.800 0.000 0.000 1.130 975 F CA 0.274 58.147 58.000 -0.212 0.000 1.387 975 F CB 0.085 38.769 39.000 -0.527 0.000 1.107 975 F HN 0.014 nan 8.300 nan 0.000 0.577 976 A N -0.920 122.026 122.820 0.210 0.000 2.387 976 A HA 0.726 5.025 4.320 -0.036 0.000 0.298 976 A C -0.397 177.277 177.584 0.151 0.000 1.165 976 A CA -0.478 51.667 52.037 0.181 0.000 0.814 976 A CB 1.092 20.239 19.000 0.245 0.000 1.357 976 A HN -0.051 nan 8.150 nan 0.000 0.443 977 T N -0.197 114.435 114.554 0.130 0.000 2.887 977 T HA 0.503 4.831 4.350 -0.036 0.000 0.288 977 T C -0.627 174.130 174.700 0.095 0.000 1.021 977 T CA -0.365 61.794 62.100 0.098 0.000 1.000 977 T CB 0.838 69.754 68.868 0.080 0.000 1.034 977 T HN 0.629 nan 8.240 nan 0.000 0.467 978 E N 2.004 122.249 120.200 0.075 0.000 2.343 978 E HA 0.386 4.714 4.350 -0.036 0.000 0.269 978 E C -0.464 176.167 176.600 0.052 0.000 1.047 978 E CA -0.405 56.034 56.400 0.065 0.000 0.874 978 E CB 1.075 30.806 29.700 0.050 0.000 1.033 978 E HN 0.466 nan 8.360 nan 0.000 0.409 979 Q N 1.374 121.202 119.800 0.047 0.000 2.263 979 Q HA 0.254 4.572 4.340 -0.036 0.000 0.266 979 Q C -1.613 174.404 176.000 0.028 0.000 1.002 979 Q CA -0.494 55.331 55.803 0.036 0.000 0.790 979 Q CB 1.769 30.529 28.738 0.036 0.000 1.272 979 Q HN 0.441 nan 8.270 nan 0.000 0.435 980 T N 2.694 117.262 114.554 0.022 0.000 2.767 980 T HA 0.447 4.775 4.350 -0.036 0.000 0.284 980 T C -0.672 174.036 174.700 0.014 0.000 0.973 980 T CA -0.385 61.725 62.100 0.017 0.000 0.996 980 T CB 1.126 70.003 68.868 0.014 0.000 0.927 980 T HN 0.353 nan 8.240 nan 0.000 0.456 981 V N 4.108 124.029 119.914 0.012 0.000 2.384 981 V HA 0.449 4.547 4.120 -0.036 0.000 0.287 981 V C 0.167 176.265 176.094 0.007 0.000 1.020 981 V CA -0.628 61.678 62.300 0.009 0.000 0.850 981 V CB 1.722 33.550 31.823 0.007 0.000 0.987 981 V HN 0.960 nan 8.190 nan 0.000 0.436 982 T N 6.798 121.355 114.554 0.006 0.000 2.791 982 T HA 0.637 4.965 4.350 -0.036 0.000 0.288 982 T C -0.345 174.357 174.700 0.004 0.000 0.999 982 T CA -0.095 62.008 62.100 0.005 0.000 0.952 982 T CB 0.662 69.533 68.868 0.005 0.000 0.938 982 T HN 0.384 nan 8.240 nan 0.000 0.444 983 I N 3.597 124.168 120.570 0.003 0.000 2.389 983 I HA 0.321 4.469 4.170 -0.036 0.000 0.288 983 I C 0.205 176.323 176.117 0.002 0.000 0.999 983 I CA -1.027 60.275 61.300 0.002 0.000 1.129 983 I CB 1.432 39.433 38.000 0.002 0.000 1.288 983 I HN 0.428 nan 8.210 nan 0.000 0.444 984 N N 4.467 123.168 118.700 0.002 0.000 2.406 984 N HA 0.001 4.719 4.740 -0.036 0.000 0.265 984 N C 0.894 176.405 175.510 0.001 0.000 1.203 984 N CA 0.094 53.145 53.050 0.001 0.000 0.945 984 N CB 0.716 39.203 38.487 0.001 0.000 1.165 984 N HN 0.725 nan 8.380 nan 0.000 0.485 985 T N 0.326 114.881 114.554 0.001 0.000 3.086 985 T HA 0.214 4.543 4.350 -0.036 0.000 0.250 985 T C 1.660 176.360 174.700 0.001 0.000 1.074 985 T CA 0.224 62.324 62.100 0.001 0.000 0.988 985 T CB -0.009 68.859 68.868 0.000 0.000 0.988 985 T HN 0.347 nan 8.240 nan 0.000 0.530 986 A N 1.893 124.713 122.820 0.001 0.000 1.958 986 A HA 0.108 4.406 4.320 -0.036 0.000 0.221 986 A C 2.720 180.304 177.584 0.000 0.000 1.178 986 A CA 1.853 53.890 52.037 0.001 0.000 0.642 986 A CB -1.354 17.646 19.000 0.001 0.000 0.816 986 A HN 0.800 nan 8.150 nan 0.000 0.453 987 A N -0.646 122.174 122.820 0.000 0.000 2.070 987 A HA 0.224 4.523 4.320 -0.036 0.000 0.220 987 A C 2.335 179.920 177.584 0.000 0.000 1.159 987 A CA 1.784 53.821 52.037 0.000 0.000 0.656 987 A CB -0.686 18.314 19.000 0.000 0.000 0.800 987 A HN 1.064 nan 8.150 nan 0.000 0.453 988 A N -1.245 121.575 122.820 0.000 0.000 2.016 988 A HA 0.438 4.737 4.320 -0.036 0.000 0.217 988 A C 1.658 179.242 177.584 0.000 0.000 1.162 988 A CA 1.434 53.471 52.037 -0.000 0.000 0.662 988 A CB -1.013 17.987 19.000 -0.000 0.000 0.812 988 A HN 2.101 nan 8.150 nan 0.000 0.450 989 G N 0.000 108.800 108.800 0.000 0.000 5.446 989 G HA2 0.000 3.938 3.960 -0.036 0.000 0.244 989 G HA3 0.000 3.938 3.960 -0.036 0.000 0.244 989 G CA 0.000 45.100 45.100 0.000 0.000 0.502 989 G HN 0.000 nan 8.290 nan 0.000 0.925