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 1itk_1_A DATA FIRST_RESID 18 DATA SEQUENCE KRPKSNQDWW PSKLNLEILD QNARDVGPVE DDFDYAEEFQ KLDLEAVKSD DATA SEQUENCE LEELMTSSQD WWPADYGHYG PLFIRMAWHS AGTYRTADGR GGAAGGRQRF DATA SEQUENCE APINSWPDNA NLDKARRLLL PIKQKYGQKI SWADLMILAG NVAIESMGFK DATA SEQUENCE TFGYAGGRED AFEEDKAVNW GPEDEFETQE RFDEPGEIQE GLGASVMGLI DATA SEQUENCE YVNPEGPDGN PDPEASAKNI RQTFDRMAMN DKETAALIAG GHTFGKVHGA DATA SEQUENCE DDPEENLGPE PEAAPIEQQG LGWQNKNXXX XXXXMITSGI EGPWTQSPTE DATA SEQUENCE WDMGYINNLL DYEWEPEKGP GGAWQWAPKS EELKNSVPDA HDPDEKQTPM DATA SEQUENCE MLTTDIALKR DPDYREVMET FQENPMEFGM NFAKAWYKLT HRDMGPPERF DATA SEQUENCE LGPEVPDEEM IWQDPLPDAD YDLIGDEEIA ELKEEILDSD LSVSQLVKTA DATA SEQUENCE WASASTYRDS DKRGGANGAR LRLEPQKNWE VNEPEQLETV LGTLENIQTE DATA SEQUENCE FNDSRSDGTQ VSLADLIVLG GNAAVEQAAA NAGYDVEIPF EPGRVDAGPE DATA SEQUENCE HTDAPSFDAL KPKVDGVRNY IQDDITRPAE EVLVDNADLL NLTASELTAL DATA SEQUENCE IGGMRSIGAN YQDTDLGVFT DEPETLTNDF FVNLLDMGTE WEPAADSEHR DATA SEQUENCE YKGLDRDTGE VKWEATRIDL IFGSNDRLRA ISEVYGSADA EKKLVHDFVD DATA SEQUENCE TWSKVMKLDR FDLE 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 18 K HA 0.000 nan 4.320 nan 0.000 0.191 18 K C 0.000 176.595 176.600 -0.008 0.000 0.988 18 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 18 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 19 R N 0.570 121.066 120.500 -0.006 0.000 2.858 19 R HA 0.621 4.993 4.340 0.054 0.000 0.252 19 R C -3.002 173.301 176.300 0.004 0.000 1.063 19 R CA -0.337 55.762 56.100 -0.003 0.000 0.955 19 R CB -0.610 29.683 30.300 -0.011 0.000 1.259 19 R HN 0.545 nan 8.270 nan 0.000 0.477 20 P HA 0.257 nan 4.420 nan 0.000 0.269 20 P C -0.838 176.480 177.300 0.030 0.000 1.209 20 P CA -0.383 62.742 63.100 0.043 0.000 0.776 20 P CB 0.775 32.508 31.700 0.054 0.000 0.876 21 K N 1.787 122.217 120.400 0.049 0.000 2.234 21 K HA 0.298 4.650 4.320 0.054 0.000 0.282 21 K C 0.152 176.791 176.600 0.065 0.000 1.039 21 K CA -0.484 55.783 56.287 -0.033 0.000 0.928 21 K CB 0.465 32.858 32.500 -0.178 0.000 1.039 21 K HN 0.631 nan 8.250 nan 0.000 0.470 22 S N 3.154 118.863 115.700 0.014 0.000 2.603 22 S HA 0.093 4.595 4.470 0.054 0.000 0.268 22 S C 0.802 175.523 174.600 0.203 0.000 1.317 22 S CA -0.676 57.583 58.200 0.098 0.000 1.012 22 S CB 0.989 64.221 63.200 0.053 0.000 0.926 22 S HN 0.680 nan 8.310 nan 0.000 0.539 23 N N 1.612 120.492 118.700 0.300 0.000 2.244 23 N HA -0.149 4.623 4.740 0.054 0.000 0.183 23 N C 1.960 177.718 175.510 0.414 0.000 1.016 23 N CA 1.581 54.927 53.050 0.494 0.000 0.866 23 N CB -0.509 38.248 38.487 0.451 0.000 0.980 23 N HN 0.924 nan 8.380 nan 0.000 0.430 24 Q N 0.293 120.228 119.800 0.225 0.000 2.291 24 Q HA -0.069 4.304 4.340 0.054 0.000 0.205 24 Q C 0.550 176.590 176.000 0.066 0.000 0.970 24 Q CA 1.046 56.944 55.803 0.159 0.000 0.876 24 Q CB -0.027 28.767 28.738 0.094 0.000 0.935 24 Q HN 0.173 nan 8.270 nan 0.000 0.455 25 D N 0.624 121.007 120.400 -0.028 0.000 2.123 25 D HA -0.109 4.564 4.640 0.054 0.000 0.200 25 D C 1.373 177.492 176.300 -0.301 0.000 0.976 25 D CA 1.002 54.879 54.000 -0.205 0.000 0.831 25 D CB -0.267 40.322 40.800 -0.352 0.000 0.974 25 D HN 0.436 nan 8.370 nan 0.000 0.469 26 W N -0.096 120.997 121.300 -0.345 0.000 2.418 26 W HA -0.048 4.644 4.660 0.054 0.000 0.292 26 W C 0.702 176.666 176.519 -0.924 0.000 1.213 26 W CA 0.205 57.055 57.345 -0.824 0.000 1.283 26 W CB 0.141 28.672 29.460 -1.549 0.000 1.119 26 W HN -0.065 nan 8.180 nan 0.000 0.542 27 W N 0.240 121.677 121.300 0.228 0.000 2.492 27 W HA 0.255 4.948 4.660 0.054 0.000 0.287 27 W C -2.115 174.448 176.519 0.075 0.000 1.008 27 W CA -2.133 55.289 57.345 0.128 0.000 1.557 27 W CB 0.300 29.825 29.460 0.108 0.000 1.419 27 W HN -0.222 nan 8.180 nan 0.000 0.408 28 P HA -0.214 nan 4.420 nan 0.000 0.217 28 P C 1.635 179.001 177.300 0.110 0.000 1.148 28 P CA 2.175 65.335 63.100 0.101 0.000 0.828 28 P CB 0.215 31.947 31.700 0.054 0.000 0.783 29 S N -2.330 113.452 115.700 0.137 0.000 2.634 29 S HA 0.076 4.578 4.470 0.054 0.000 0.221 29 S C 0.718 175.373 174.600 0.091 0.000 0.952 29 S CA -0.452 57.807 58.200 0.098 0.000 0.930 29 S CB -0.730 62.522 63.200 0.088 0.000 0.780 29 S HN 0.034 nan 8.310 nan 0.000 0.498 30 K N 1.581 122.061 120.400 0.133 0.000 2.412 30 K HA 0.135 4.488 4.320 0.054 0.000 0.281 30 K C -0.124 176.505 176.600 0.047 0.000 1.027 30 K CA -0.654 55.689 56.287 0.094 0.000 0.989 30 K CB 0.211 32.808 32.500 0.162 0.000 0.935 30 K HN 0.257 nan 8.250 nan 0.000 0.475 31 L N 4.386 125.612 121.223 0.004 0.000 2.640 31 L HA -0.108 4.264 4.340 0.054 0.000 0.280 31 L C 0.178 177.050 176.870 0.003 0.000 1.229 31 L CA 0.824 55.655 54.840 -0.015 0.000 0.919 31 L CB -0.164 41.862 42.059 -0.055 0.000 1.168 31 L HN 0.653 nan 8.230 nan 0.000 0.496 32 N N 4.352 123.054 118.700 0.004 0.000 3.254 32 N HA 0.055 4.828 4.740 0.054 0.000 0.308 32 N C 0.918 176.432 175.510 0.008 0.000 1.281 32 N CA 0.174 53.231 53.050 0.012 0.000 1.212 32 N CB -0.260 38.233 38.487 0.008 0.000 1.478 32 N HN 0.751 nan 8.380 nan 0.000 0.548 33 L N 0.119 121.347 121.223 0.008 0.000 2.353 33 L HA -0.151 4.221 4.340 0.054 0.000 0.220 33 L C 2.153 179.034 176.870 0.018 0.000 1.133 33 L CA 0.800 55.647 54.840 0.011 0.000 0.798 33 L CB -0.346 41.719 42.059 0.010 0.000 0.922 33 L HN 0.595 nan 8.230 nan 0.000 0.445 34 E N 1.494 121.706 120.200 0.020 0.000 2.209 34 E HA -0.271 4.111 4.350 0.054 0.000 0.196 34 E C 2.084 178.693 176.600 0.015 0.000 0.993 34 E CA 1.749 58.160 56.400 0.020 0.000 0.819 34 E CB -0.572 29.141 29.700 0.022 0.000 0.745 34 E HN 0.764 nan 8.360 nan 0.000 0.477 35 I N -1.207 119.370 120.570 0.012 0.000 2.493 35 I HA -0.146 4.056 4.170 0.054 0.000 0.254 35 I C 2.122 178.249 176.117 0.017 0.000 1.160 35 I CA 0.958 62.263 61.300 0.008 0.000 1.445 35 I CB -0.229 37.770 38.000 -0.001 0.000 1.086 35 I HN 0.045 nan 8.210 nan 0.000 0.433 36 L N 0.775 122.013 121.223 0.024 0.000 2.209 36 L HA -0.009 4.364 4.340 0.054 0.000 0.207 36 L C 2.030 178.921 176.870 0.034 0.000 1.094 36 L CA 0.618 55.480 54.840 0.036 0.000 0.790 36 L CB -0.730 41.357 42.059 0.047 0.000 0.932 36 L HN 0.185 nan 8.230 nan 0.000 0.447 37 D N 0.353 120.770 120.400 0.027 0.000 2.178 37 D HA -0.196 4.476 4.640 0.054 0.000 0.201 37 D C 2.167 178.479 176.300 0.019 0.000 0.980 37 D CA 1.031 55.045 54.000 0.024 0.000 0.842 37 D CB -0.070 40.741 40.800 0.019 0.000 0.948 37 D HN 0.389 nan 8.370 nan 0.000 0.472 38 Q N 0.078 119.888 119.800 0.017 0.000 2.291 38 Q HA -0.074 4.298 4.340 0.054 0.000 0.206 38 Q C 1.257 177.270 176.000 0.022 0.000 0.976 38 Q CA 0.608 56.419 55.803 0.013 0.000 0.875 38 Q CB 0.038 28.780 28.738 0.008 0.000 0.927 38 Q HN 0.298 nan 8.270 nan 0.000 0.450 39 N N -0.177 118.540 118.700 0.030 0.000 2.422 39 N HA 0.025 4.797 4.740 0.054 0.000 0.181 39 N C 1.096 176.627 175.510 0.035 0.000 1.080 39 N CA 0.599 53.671 53.050 0.037 0.000 0.893 39 N CB 0.307 38.821 38.487 0.046 0.000 0.973 39 N HN 0.149 nan 8.380 nan 0.000 0.456 40 A N 1.028 123.866 122.820 0.030 0.000 2.169 40 A HA 0.009 4.361 4.320 0.054 0.000 0.212 40 A C 0.823 178.418 177.584 0.020 0.000 1.153 40 A CA 0.546 52.599 52.037 0.026 0.000 0.756 40 A CB 0.110 19.125 19.000 0.025 0.000 0.813 40 A HN 0.208 nan 8.150 nan 0.000 0.471 41 R N -0.406 120.104 120.500 0.017 0.000 2.664 41 R HA 0.282 4.654 4.340 0.054 0.000 0.266 41 R C -2.746 173.560 176.300 0.009 0.000 1.046 41 R CA -0.742 55.363 56.100 0.010 0.000 0.885 41 R CB -0.031 30.269 30.300 -0.000 0.000 1.254 41 R HN -0.048 nan 8.270 nan 0.000 0.465 42 D N 2.619 123.022 120.400 0.005 0.000 2.454 42 D HA 0.246 4.919 4.640 0.054 0.000 0.225 42 D C 0.750 177.028 176.300 -0.036 0.000 1.081 42 D CA -0.312 53.693 54.000 0.007 0.000 0.864 42 D CB 1.882 42.700 40.800 0.029 0.000 1.040 42 D HN 0.474 nan 8.370 nan 0.000 0.517 43 V N 0.106 119.997 119.914 -0.039 0.000 3.376 43 V HA 0.769 4.921 4.120 0.054 0.000 0.303 43 V C 0.832 176.795 176.094 -0.218 0.000 1.100 43 V CA 0.022 62.269 62.300 -0.088 0.000 1.126 43 V CB 0.433 32.223 31.823 -0.055 0.000 1.085 43 V HN 0.799 nan 8.190 nan 0.000 0.480 44 G N 2.129 110.711 108.800 -0.363 0.000 2.619 44 G HA2 -0.004 3.989 3.960 0.054 0.000 0.686 44 G HA3 -0.004 3.989 3.960 0.054 0.000 0.686 44 G C -1.591 172.940 174.900 -0.615 0.000 1.256 44 G CA -0.163 44.385 45.100 -0.919 0.000 0.826 44 G HN 0.972 nan 8.290 nan 0.000 0.619 45 P HA 0.211 nan 4.420 nan 0.000 0.255 45 P C 0.769 177.921 177.300 -0.246 0.000 1.248 45 P CA 0.156 63.069 63.100 -0.311 0.000 0.807 45 P CB 0.257 31.827 31.700 -0.217 0.000 1.150 46 V N 2.385 122.120 119.914 -0.298 0.000 2.599 46 V HA -0.011 4.141 4.120 0.054 0.000 0.300 46 V C 1.121 177.180 176.094 -0.058 0.000 1.034 46 V CA 0.103 62.305 62.300 -0.163 0.000 1.115 46 V CB -0.007 31.771 31.823 -0.075 0.000 0.934 46 V HN 0.105 nan 8.190 nan 0.000 0.485 47 E N 3.259 123.455 120.200 -0.006 0.000 2.392 47 E HA 0.013 4.395 4.350 0.054 0.000 0.264 47 E C 0.582 177.254 176.600 0.120 0.000 1.024 47 E CA -0.167 56.267 56.400 0.057 0.000 0.903 47 E CB 0.739 30.489 29.700 0.084 0.000 0.963 47 E HN 0.582 nan 8.360 nan 0.000 0.432 48 D N 1.376 121.825 120.400 0.083 0.000 2.182 48 D HA -0.170 4.502 4.640 0.054 0.000 0.201 48 D C 1.008 177.373 176.300 0.109 0.000 0.986 48 D CA 1.237 55.289 54.000 0.088 0.000 0.847 48 D CB 0.010 40.843 40.800 0.054 0.000 0.942 48 D HN 0.480 nan 8.370 nan 0.000 0.467 49 D N -0.689 119.779 120.400 0.113 0.000 2.328 49 D HA -0.090 4.583 4.640 0.054 0.000 0.226 49 D C 0.328 176.708 176.300 0.132 0.000 1.066 49 D CA -0.515 53.544 54.000 0.098 0.000 0.861 49 D CB -0.890 39.953 40.800 0.072 0.000 0.912 49 D HN 0.074 nan 8.370 nan 0.000 0.521 50 F N 1.903 121.886 119.950 0.056 0.000 2.484 50 F HA 0.262 4.821 4.527 0.054 0.000 0.360 50 F C -0.035 175.825 175.800 0.099 0.000 1.101 50 F CA -0.648 57.399 58.000 0.078 0.000 1.251 50 F CB 0.784 39.837 39.000 0.089 0.000 1.132 50 F HN -0.204 nan 8.300 nan 0.000 0.570 51 D N 5.644 125.519 120.400 -0.876 0.000 2.462 51 D HA 0.025 4.697 4.640 0.054 0.000 0.245 51 D C 0.355 176.131 176.300 -0.872 0.000 1.122 51 D CA -0.322 53.315 54.000 -0.605 0.000 0.864 51 D CB 0.614 41.243 40.800 -0.286 0.000 1.098 51 D HN 0.684 nan 8.370 nan 0.000 0.541 52 Y N 4.419 124.319 120.300 -0.665 0.000 2.181 52 Y HA -0.153 4.428 4.550 0.053 0.000 0.288 52 Y C 1.973 177.831 175.900 -0.069 0.000 1.146 52 Y CA 2.159 60.112 58.100 -0.245 0.000 1.164 52 Y CB -0.237 38.280 38.460 0.096 0.000 0.982 52 Y HN 0.510 nan 8.280 nan 0.000 0.515 53 A N 0.363 123.059 122.820 -0.206 0.000 1.892 53 A HA -0.261 4.091 4.320 0.054 0.000 0.218 53 A C 2.130 179.622 177.584 -0.153 0.000 1.188 53 A CA 2.167 54.086 52.037 -0.196 0.000 0.631 53 A CB -0.802 18.151 19.000 -0.079 0.000 0.822 53 A HN 0.647 nan 8.150 nan 0.000 0.447 54 E N -1.144 118.960 120.200 -0.160 0.000 2.150 54 E HA -0.195 4.188 4.350 0.054 0.000 0.193 54 E C 2.049 178.588 176.600 -0.100 0.000 0.985 54 E CA 1.186 57.517 56.400 -0.115 0.000 0.814 54 E CB -0.071 29.558 29.700 -0.118 0.000 0.752 54 E HN 0.684 nan 8.360 nan 0.000 0.466 55 E N 0.479 120.600 120.200 -0.131 0.000 2.072 55 E HA -0.145 4.238 4.350 0.054 0.000 0.190 55 E C 1.564 178.146 176.600 -0.030 0.000 0.982 55 E CA 0.635 57.040 56.400 0.007 0.000 0.803 55 E CB -0.221 29.626 29.700 0.245 0.000 0.755 55 E HN 0.199 nan 8.360 nan 0.000 0.453 56 F N 0.967 120.706 119.950 -0.353 0.000 2.171 56 F HA -0.153 4.407 4.527 0.054 0.000 0.300 56 F C 2.002 177.703 175.800 -0.165 0.000 1.090 56 F CA 1.303 59.100 58.000 -0.339 0.000 1.293 56 F CB -0.127 38.497 39.000 -0.627 0.000 1.013 56 F HN 0.032 nan 8.300 nan 0.000 0.486 57 Q N 0.617 120.353 119.800 -0.107 0.000 2.234 57 Q HA -0.176 4.197 4.340 0.054 0.000 0.206 57 Q C 1.881 177.783 176.000 -0.162 0.000 0.980 57 Q CA 1.615 57.346 55.803 -0.121 0.000 0.869 57 Q CB -0.194 28.518 28.738 -0.042 0.000 0.912 57 Q HN 0.422 nan 8.270 nan 0.000 0.436 58 K N -0.647 119.672 120.400 -0.135 0.000 2.366 58 K HA 0.011 4.363 4.320 0.054 0.000 0.198 58 K C 0.158 176.685 176.600 -0.121 0.000 1.044 58 K CA -0.170 56.063 56.287 -0.091 0.000 0.973 58 K CB 0.035 32.517 32.500 -0.029 0.000 0.767 58 K HN 0.101 nan 8.250 nan 0.000 0.475 59 L N 2.461 123.544 121.223 -0.234 0.000 2.453 59 L HA -0.010 4.363 4.340 0.054 0.000 0.272 59 L C -0.139 176.587 176.870 -0.239 0.000 1.182 59 L CA 0.341 55.031 54.840 -0.249 0.000 0.858 59 L CB 0.500 42.280 42.059 -0.465 0.000 1.120 59 L HN -0.027 nan 8.230 nan 0.000 0.474 60 D N 4.265 124.590 120.400 -0.126 0.000 2.468 60 D HA 0.020 4.692 4.640 0.054 0.000 0.218 60 D C 0.999 177.203 176.300 -0.159 0.000 1.155 60 D CA -0.269 53.670 54.000 -0.101 0.000 0.924 60 D CB 0.512 41.305 40.800 -0.012 0.000 1.029 60 D HN 0.610 nan 8.370 nan 0.000 0.515 61 L N 3.885 124.991 121.223 -0.196 0.000 2.043 61 L HA -0.168 4.205 4.340 0.054 0.000 0.212 61 L C 1.904 178.684 176.870 -0.150 0.000 1.075 61 L CA 1.787 56.516 54.840 -0.185 0.000 0.752 61 L CB -0.166 41.831 42.059 -0.103 0.000 0.891 61 L HN 0.351 nan 8.230 nan 0.000 0.432 62 E N -0.383 119.757 120.200 -0.100 0.000 2.153 62 E HA -0.197 4.186 4.350 0.054 0.000 0.194 62 E C 2.173 178.732 176.600 -0.069 0.000 0.988 62 E CA 1.244 57.599 56.400 -0.075 0.000 0.811 62 E CB -0.343 29.328 29.700 -0.048 0.000 0.746 62 E HN 0.650 nan 8.360 nan 0.000 0.466 63 A N 0.803 123.588 122.820 -0.057 0.000 1.898 63 A HA -0.118 4.234 4.320 0.054 0.000 0.216 63 A C 2.592 180.150 177.584 -0.042 0.000 1.181 63 A CA 1.311 53.353 52.037 0.008 0.000 0.620 63 A CB -0.552 18.515 19.000 0.112 0.000 0.819 63 A HN 0.135 nan 8.150 nan 0.000 0.442 64 V N 0.294 120.041 119.914 -0.279 0.000 2.358 64 V HA -0.264 3.888 4.120 0.054 0.000 0.246 64 V C 2.395 178.354 176.094 -0.225 0.000 1.047 64 V CA 2.287 64.308 62.300 -0.465 0.000 1.035 64 V CB -0.719 30.706 31.823 -0.664 0.000 0.658 64 V HN 0.530 nan 8.190 nan 0.000 0.452 65 K N 0.056 120.347 120.400 -0.183 0.000 2.097 65 K HA -0.155 4.197 4.320 0.054 0.000 0.206 65 K C 2.510 179.063 176.600 -0.078 0.000 1.049 65 K CA 1.583 57.788 56.287 -0.135 0.000 0.933 65 K CB -0.357 32.069 32.500 -0.123 0.000 0.717 65 K HN 0.402 nan 8.250 nan 0.000 0.442 66 S N 1.244 116.913 115.700 -0.052 0.000 2.368 66 S HA -0.160 4.342 4.470 0.054 0.000 0.225 66 S C 1.459 176.059 174.600 -0.000 0.000 1.030 66 S CA 1.493 59.683 58.200 -0.017 0.000 0.999 66 S CB -0.172 63.028 63.200 -0.000 0.000 0.844 66 S HN 0.191 nan 8.310 nan 0.000 0.459 67 D N 1.141 121.548 120.400 0.012 0.000 2.144 67 D HA -0.005 4.667 4.640 0.054 0.000 0.200 67 D C 1.982 178.286 176.300 0.007 0.000 0.978 67 D CA 0.776 54.799 54.000 0.038 0.000 0.833 67 D CB -0.371 40.494 40.800 0.108 0.000 0.961 67 D HN 0.381 nan 8.370 nan 0.000 0.470 68 L N 0.712 121.909 121.223 -0.043 0.000 2.046 68 L HA -0.160 4.212 4.340 0.054 0.000 0.208 68 L C 2.476 179.325 176.870 -0.034 0.000 1.077 68 L CA 1.122 55.913 54.840 -0.082 0.000 0.747 68 L CB -0.285 41.684 42.059 -0.151 0.000 0.896 68 L HN 0.024 nan 8.230 nan 0.000 0.432 69 E N 0.316 120.503 120.200 -0.020 0.000 2.110 69 E HA -0.246 4.136 4.350 0.054 0.000 0.193 69 E C 1.982 178.587 176.600 0.010 0.000 0.988 69 E CA 1.303 57.706 56.400 0.005 0.000 0.804 69 E CB 0.111 29.814 29.700 0.006 0.000 0.745 69 E HN 0.479 nan 8.360 nan 0.000 0.458 70 E N 0.124 120.334 120.200 0.016 0.000 2.106 70 E HA -0.186 4.197 4.350 0.054 0.000 0.192 70 E C 2.150 178.777 176.600 0.045 0.000 0.984 70 E CA 0.769 57.183 56.400 0.024 0.000 0.806 70 E CB -0.093 29.626 29.700 0.031 0.000 0.750 70 E HN 0.228 nan 8.360 nan 0.000 0.458 71 L N 0.915 122.181 121.223 0.072 0.000 2.131 71 L HA -0.184 4.188 4.340 0.054 0.000 0.210 71 L C 2.062 179.076 176.870 0.239 0.000 1.092 71 L CA 1.483 56.413 54.840 0.150 0.000 0.759 71 L CB -0.275 41.867 42.059 0.137 0.000 0.903 71 L HN 0.114 nan 8.230 nan 0.000 0.435 72 M N -0.454 119.234 119.600 0.147 0.000 2.108 72 M HA -0.173 4.340 4.480 0.054 0.000 0.257 72 M C 1.719 177.914 176.300 -0.176 0.000 1.071 72 M CA 2.182 57.507 55.300 0.042 0.000 1.093 72 M CB -1.991 30.474 32.600 -0.225 0.000 1.345 72 M HN 0.596 nan 8.290 nan 0.000 0.403 73 T N -4.080 110.382 114.554 -0.154 0.000 3.215 73 T HA 0.222 4.604 4.350 0.054 0.000 0.271 73 T C 0.515 175.172 174.700 -0.072 0.000 1.012 73 T CA -0.198 61.803 62.100 -0.165 0.000 0.899 73 T CB -0.131 68.661 68.868 -0.128 0.000 1.089 73 T HN 0.140 nan 8.240 nan 0.000 0.552 74 S N 1.785 117.497 115.700 0.020 0.000 2.790 74 S HA 0.451 4.953 4.470 0.054 0.000 0.202 74 S C 0.190 174.855 174.600 0.109 0.000 1.383 74 S CA -0.573 57.664 58.200 0.062 0.000 1.026 74 S CB -0.142 63.121 63.200 0.105 0.000 1.253 74 S HN 0.506 nan 8.310 nan 0.000 0.489 75 S N 3.417 119.093 115.700 -0.041 0.000 2.537 75 S HA 0.185 4.688 4.470 0.054 0.000 0.286 75 S C -0.236 174.366 174.600 0.003 0.000 1.299 75 S CA -0.147 58.003 58.200 -0.083 0.000 1.067 75 S CB 0.223 63.307 63.200 -0.194 0.000 0.864 75 S HN 0.727 nan 8.310 nan 0.000 0.494 76 Q N 3.232 123.025 119.800 -0.013 0.000 2.293 76 Q HA 0.263 4.635 4.340 0.054 0.000 0.261 76 Q C 0.514 176.328 176.000 -0.311 0.000 0.960 76 Q CA -0.695 54.961 55.803 -0.245 0.000 0.882 76 Q CB 1.427 29.778 28.738 -0.645 0.000 1.275 76 Q HN 0.684 nan 8.270 nan 0.000 0.445 77 D N 1.661 121.977 120.400 -0.139 0.000 2.190 77 D HA -0.168 4.504 4.640 0.054 0.000 0.200 77 D C 1.465 177.795 176.300 0.050 0.000 0.992 77 D CA 1.142 55.130 54.000 -0.021 0.000 0.854 77 D CB 0.167 41.015 40.800 0.079 0.000 0.936 77 D HN 0.711 nan 8.370 nan 0.000 0.462 78 W N -1.406 119.986 121.300 0.154 0.000 2.937 78 W HA 0.089 4.782 4.660 0.054 0.000 0.245 78 W C 0.471 177.201 176.519 0.351 0.000 1.306 78 W CA -0.294 57.167 57.345 0.193 0.000 1.470 78 W CB -0.625 28.933 29.460 0.163 0.000 1.132 78 W HN -0.025 nan 8.180 nan 0.000 0.675 79 W N 2.767 123.951 121.300 -0.194 0.000 1.521 79 W HA 0.207 4.899 4.660 0.053 0.000 0.317 79 W C -2.892 173.587 176.519 -0.066 0.000 1.002 79 W CA -1.743 55.538 57.345 -0.107 0.000 1.040 79 W CB 0.314 29.709 29.460 -0.109 0.000 1.072 79 W HN -0.352 nan 8.180 nan 0.000 0.340 80 P HA -0.028 nan 4.420 nan 0.000 0.260 80 P C 0.129 177.362 177.300 -0.112 0.000 1.172 80 P CA 0.975 63.992 63.100 -0.138 0.000 0.760 80 P CB 0.624 32.255 31.700 -0.114 0.000 0.773 81 A N 3.813 126.428 122.820 -0.342 0.000 2.488 81 A HA 0.095 4.447 4.320 0.054 0.000 0.249 81 A C 0.264 177.592 177.584 -0.427 0.000 1.083 81 A CA -0.167 51.497 52.037 -0.622 0.000 0.768 81 A CB -0.259 17.948 19.000 -1.322 0.000 1.017 81 A HN 0.429 nan 8.150 nan 0.000 0.496 82 D N 1.428 121.652 120.400 -0.293 0.000 2.455 82 D HA 0.191 4.863 4.640 0.054 0.000 0.241 82 D C 0.261 176.371 176.300 -0.316 0.000 1.138 82 D CA 0.934 54.633 54.000 -0.502 0.000 0.877 82 D CB -0.104 40.620 40.800 -0.127 0.000 1.187 82 D HN 0.544 nan 8.370 nan 0.000 0.451 83 Y N 0.039 120.146 120.300 -0.321 0.000 4.469 83 Y HA -0.292 4.291 4.550 0.055 0.000 0.220 83 Y C 1.561 177.382 175.900 -0.132 0.000 1.078 83 Y CA 0.558 58.556 58.100 -0.171 0.000 1.881 83 Y CB -1.939 36.480 38.460 -0.067 0.000 1.608 83 Y HN 0.719 nan 8.280 nan 0.000 0.634 84 G N -0.718 107.996 108.800 -0.144 0.000 2.179 84 G HA2 -0.349 3.644 3.960 0.054 0.000 0.257 84 G HA3 -0.349 3.644 3.960 0.054 0.000 0.257 84 G C -0.283 174.554 174.900 -0.103 0.000 1.010 84 G CA 0.502 45.511 45.100 -0.151 0.000 0.736 84 G HN 0.892 nan 8.290 nan 0.000 0.513 85 H N -1.582 117.399 119.070 -0.150 0.000 3.018 85 H HA 0.390 4.979 4.556 0.054 0.000 0.334 85 H C 0.227 175.534 175.328 -0.036 0.000 0.983 85 H CA -0.865 55.144 56.048 -0.065 0.000 1.363 85 H CB 0.789 30.579 29.762 0.048 0.000 1.668 85 H HN 0.037 nan 8.280 nan 0.000 0.513 86 Y N 2.951 123.346 120.300 0.158 0.000 2.583 86 Y HA 0.003 4.585 4.550 0.053 0.000 0.293 86 Y C 2.319 178.325 175.900 0.177 0.000 1.157 86 Y CA 0.920 59.049 58.100 0.049 0.000 1.315 86 Y CB -0.150 38.216 38.460 -0.157 0.000 1.021 86 Y HN 0.827 nan 8.280 nan 0.000 0.536 87 G N 1.587 110.819 108.800 0.721 0.000 2.681 87 G HA2 -0.308 3.684 3.960 0.054 0.000 0.220 87 G HA3 -0.308 3.684 3.960 0.054 0.000 0.220 87 G C -0.413 174.619 174.900 0.221 0.000 1.210 87 G CA 1.236 46.620 45.100 0.473 0.000 0.783 87 G HN 0.276 nan 8.290 nan 0.000 0.609 88 P HA -0.089 nan 4.420 nan 0.000 0.216 88 P C 2.059 179.491 177.300 0.219 0.000 1.153 88 P CA 0.803 64.014 63.100 0.186 0.000 0.858 88 P CB -0.148 31.720 31.700 0.281 0.000 0.789 89 L N -1.645 119.688 121.223 0.184 0.000 2.046 89 L HA -0.134 4.238 4.340 0.054 0.000 0.208 89 L C 2.045 178.949 176.870 0.057 0.000 1.077 89 L CA 1.951 56.843 54.840 0.087 0.000 0.747 89 L CB -1.406 40.646 42.059 -0.011 0.000 0.896 89 L HN -0.153 nan 8.230 nan 0.000 0.432 90 F N -0.499 119.562 119.950 0.185 0.000 2.234 90 F HA -0.117 4.442 4.527 0.053 0.000 0.299 90 F C 2.346 178.260 175.800 0.190 0.000 1.087 90 F CA 1.101 59.193 58.000 0.152 0.000 1.340 90 F CB -0.706 38.377 39.000 0.140 0.000 1.031 90 F HN 0.053 nan 8.300 nan 0.000 0.500 91 I N -0.324 120.452 120.570 0.345 0.000 2.179 91 I HA -0.298 3.905 4.170 0.054 0.000 0.242 91 I C 2.723 179.118 176.117 0.464 0.000 1.088 91 I CA 1.304 62.797 61.300 0.322 0.000 1.357 91 I CB -0.432 37.622 38.000 0.091 0.000 1.051 91 I HN 0.027 nan 8.210 nan 0.000 0.409 92 R N 1.165 121.883 120.500 0.363 0.000 2.091 92 R HA -0.239 4.133 4.340 0.054 0.000 0.238 92 R C 2.424 178.838 176.300 0.189 0.000 1.136 92 R CA 1.799 58.109 56.100 0.349 0.000 0.959 92 R CB -0.306 30.104 30.300 0.183 0.000 0.856 92 R HN 0.306 nan 8.270 nan 0.000 0.437 93 M N 0.222 119.916 119.600 0.157 0.000 2.065 93 M HA -0.186 4.327 4.480 0.054 0.000 0.259 93 M C 2.176 178.583 176.300 0.178 0.000 1.069 93 M CA 2.322 57.689 55.300 0.111 0.000 1.110 93 M CB -0.258 32.455 32.600 0.188 0.000 1.328 93 M HN 0.331 nan 8.290 nan 0.000 0.405 94 A N 0.573 123.582 122.820 0.315 0.000 1.902 94 A HA -0.244 4.108 4.320 0.054 0.000 0.217 94 A C 2.082 179.839 177.584 0.288 0.000 1.181 94 A CA 1.595 53.815 52.037 0.304 0.000 0.623 94 A CB -1.679 17.609 19.000 0.480 0.000 0.818 94 A HN 0.939 nan 8.150 nan 0.000 0.443 95 W N 0.225 121.728 121.300 0.339 0.000 2.358 95 W HA -0.222 4.471 4.660 0.055 0.000 0.303 95 W C 1.842 178.500 176.519 0.232 0.000 1.208 95 W CA 1.791 59.316 57.345 0.300 0.000 1.274 95 W CB -0.664 29.100 29.460 0.507 0.000 1.138 95 W HN 0.590 nan 8.180 nan 0.000 0.515 96 H N -0.240 118.552 119.070 -0.463 0.000 2.423 96 H HA -0.156 4.431 4.556 0.053 0.000 0.297 96 H C 2.675 177.723 175.328 -0.466 0.000 1.075 96 H CA 1.379 57.017 56.048 -0.684 0.000 1.342 96 H CB -0.112 29.418 29.762 -0.387 0.000 1.395 96 H HN 0.134 nan 8.280 nan 0.000 0.530 97 S N 0.370 115.982 115.700 -0.145 0.000 2.359 97 S HA -0.157 4.345 4.470 0.054 0.000 0.224 97 S C 2.322 176.802 174.600 -0.199 0.000 1.035 97 S CA 1.084 59.186 58.200 -0.163 0.000 1.018 97 S CB -0.148 62.998 63.200 -0.091 0.000 0.876 97 S HN 0.492 nan 8.310 nan 0.000 0.448 98 A N 0.271 122.973 122.820 -0.197 0.000 2.021 98 A HA 0.339 4.691 4.320 0.054 0.000 0.216 98 A C 2.186 179.653 177.584 -0.195 0.000 1.163 98 A CA 1.114 53.039 52.037 -0.186 0.000 0.676 98 A CB -1.154 17.733 19.000 -0.187 0.000 0.818 98 A HN 0.607 nan 8.150 nan 0.000 0.453 99 G N -0.076 108.445 108.800 -0.466 0.000 2.586 99 G HA2 -0.097 3.895 3.960 0.054 0.000 0.215 99 G HA3 -0.097 3.895 3.960 0.054 0.000 0.215 99 G C 1.368 175.891 174.900 -0.628 0.000 1.128 99 G CA 1.619 46.229 45.100 -0.816 0.000 0.774 99 G HN 0.657 nan 8.290 nan 0.000 0.543 100 T N -3.204 111.171 114.554 -0.299 0.000 3.129 100 T HA 0.140 4.523 4.350 0.054 0.000 0.251 100 T C 0.829 175.647 174.700 0.195 0.000 1.117 100 T CA -0.630 61.443 62.100 -0.045 0.000 1.034 100 T CB -0.242 68.608 68.868 -0.030 0.000 0.968 100 T HN 0.174 nan 8.240 nan 0.000 0.526 101 Y N 3.273 123.579 120.300 0.009 0.000 2.610 101 Y HA 0.376 4.958 4.550 0.054 0.000 0.332 101 Y C 0.068 176.011 175.900 0.072 0.000 1.201 101 Y CA -0.719 57.403 58.100 0.035 0.000 1.465 101 Y CB 0.361 38.811 38.460 -0.016 0.000 1.283 101 Y HN 0.075 nan 8.280 nan 0.000 0.563 102 R N 2.697 122.828 120.500 -0.615 0.000 2.534 102 R HA 0.252 4.625 4.340 0.054 0.000 0.301 102 R C 1.004 176.796 176.300 -0.846 0.000 0.961 102 R CA -0.020 55.781 56.100 -0.499 0.000 0.871 102 R CB 1.336 31.491 30.300 -0.243 0.000 1.170 102 R HN 0.766 nan 8.270 nan 0.000 0.446 103 T N -1.128 113.100 114.554 -0.543 0.000 2.995 103 T HA -0.089 4.294 4.350 0.054 0.000 0.269 103 T C 1.879 176.441 174.700 -0.229 0.000 1.091 103 T CA 0.866 62.749 62.100 -0.362 0.000 1.128 103 T CB -0.067 68.738 68.868 -0.105 0.000 0.891 103 T HN 0.525 nan 8.240 nan 0.000 0.492 104 A N 3.219 125.921 122.820 -0.195 0.000 1.884 104 A HA -0.176 4.177 4.320 0.054 0.000 0.219 104 A C 2.042 179.543 177.584 -0.139 0.000 1.197 104 A CA 2.109 54.065 52.037 -0.135 0.000 0.637 104 A CB -0.675 18.257 19.000 -0.113 0.000 0.827 104 A HN 0.772 nan 8.150 nan 0.000 0.450 105 D N -4.357 115.937 120.400 -0.177 0.000 2.500 105 D HA 0.324 4.997 4.640 0.054 0.000 0.217 105 D C 1.060 177.267 176.300 -0.155 0.000 1.159 105 D CA 0.900 54.811 54.000 -0.148 0.000 0.828 105 D CB -0.532 40.182 40.800 -0.143 0.000 1.039 105 D HN 0.953 nan 8.370 nan 0.000 0.512 106 G N 0.829 109.492 108.800 -0.228 0.000 2.189 106 G HA2 -0.365 3.628 3.960 0.054 0.000 0.267 106 G HA3 -0.365 3.628 3.960 0.054 0.000 0.267 106 G C 0.412 175.271 174.900 -0.069 0.000 0.975 106 G CA 0.288 45.300 45.100 -0.148 0.000 0.644 106 G HN 0.454 nan 8.290 nan 0.000 0.537 107 R N 0.154 120.563 120.500 -0.152 0.000 2.649 107 R HA 0.539 4.911 4.340 0.054 0.000 0.270 107 R C 1.177 177.464 176.300 -0.021 0.000 1.105 107 R CA 0.524 56.568 56.100 -0.094 0.000 1.193 107 R CB 0.332 30.518 30.300 -0.190 0.000 1.120 107 R HN 1.444 nan 8.270 nan 0.000 0.561 108 G N -0.750 108.092 108.800 0.071 0.000 2.681 108 G HA2 0.191 4.184 3.960 0.054 0.000 0.220 108 G HA3 0.191 4.184 3.960 0.054 0.000 0.220 108 G C 0.026 175.048 174.900 0.203 0.000 1.353 108 G CA -0.367 44.883 45.100 0.249 0.000 0.872 108 G HN 1.173 nan 8.290 nan 0.000 0.557 109 G N -2.830 106.063 108.800 0.155 0.000 2.592 109 G HA2 0.484 4.476 3.960 0.054 0.000 0.684 109 G HA3 0.484 4.476 3.960 0.054 0.000 0.684 109 G C 0.742 175.608 174.900 -0.056 0.000 1.291 109 G CA 1.047 46.176 45.100 0.050 0.000 0.891 109 G HN 2.485 nan 8.290 nan 0.000 0.544 110 A N -0.698 122.046 122.820 -0.127 0.000 2.303 110 A HA 0.709 5.062 4.320 0.054 0.000 0.217 110 A C 2.514 180.017 177.584 -0.135 0.000 1.205 110 A CA 1.662 53.614 52.037 -0.142 0.000 0.875 110 A CB -0.392 18.500 19.000 -0.180 0.000 0.910 110 A HN 2.427 nan 8.150 nan 0.000 0.501 111 A N -0.219 122.519 122.820 -0.136 0.000 2.024 111 A HA 0.074 4.426 4.320 0.054 0.000 0.220 111 A C 2.002 179.533 177.584 -0.088 0.000 1.164 111 A CA 1.850 53.808 52.037 -0.132 0.000 0.643 111 A CB -0.661 18.266 19.000 -0.121 0.000 0.806 111 A HN 0.787 nan 8.150 nan 0.000 0.451 112 G N -2.647 106.122 108.800 -0.053 0.000 3.159 112 G HA2 0.390 4.382 3.960 0.054 0.000 0.232 112 G HA3 0.390 4.382 3.960 0.054 0.000 0.232 112 G C 1.067 175.955 174.900 -0.019 0.000 1.116 112 G CA 0.476 45.561 45.100 -0.024 0.000 0.767 112 G HN 1.556 nan 8.290 nan 0.000 0.547 113 G N 0.817 109.586 108.800 -0.053 0.000 2.225 113 G HA2 -0.320 3.673 3.960 0.054 0.000 0.267 113 G HA3 -0.320 3.673 3.960 0.054 0.000 0.267 113 G C 1.076 175.895 174.900 -0.134 0.000 1.024 113 G CA 0.434 45.481 45.100 -0.087 0.000 0.784 113 G HN 0.536 nan 8.290 nan 0.000 0.507 114 R N -0.498 119.973 120.500 -0.048 0.000 2.357 114 R HA -0.005 4.368 4.340 0.054 0.000 0.202 114 R C 2.286 178.488 176.300 -0.164 0.000 1.047 114 R CA 0.972 57.089 56.100 0.029 0.000 1.034 114 R CB -0.082 30.276 30.300 0.097 0.000 0.875 114 R HN 0.666 nan 8.270 nan 0.000 0.473 115 Q N 1.167 120.805 119.800 -0.270 0.000 2.364 115 Q HA -0.126 4.247 4.340 0.054 0.000 0.207 115 Q C 1.340 177.089 176.000 -0.418 0.000 0.970 115 Q CA 1.087 56.682 55.803 -0.348 0.000 0.888 115 Q CB 0.193 28.758 28.738 -0.289 0.000 0.951 115 Q HN 0.311 nan 8.270 nan 0.000 0.469 116 R N -1.013 119.137 120.500 -0.584 0.000 2.276 116 R HA 0.066 4.438 4.340 0.054 0.000 0.203 116 R C -0.241 175.482 176.300 -0.962 0.000 1.017 116 R CA 0.272 55.842 56.100 -0.884 0.000 1.010 116 R CB 0.307 29.840 30.300 -1.278 0.000 0.900 116 R HN 0.068 nan 8.270 nan 0.000 0.469 117 F N -0.390 119.417 119.950 -0.238 0.000 2.556 117 F HA 0.520 5.080 4.527 0.053 0.000 0.327 117 F C 0.467 176.160 175.800 -0.178 0.000 1.059 117 F CA -1.618 56.275 58.000 -0.179 0.000 0.953 117 F CB 0.840 39.762 39.000 -0.131 0.000 1.227 117 F HN -0.164 nan 8.300 nan 0.000 0.478 118 A N 2.231 125.103 122.820 0.086 0.000 2.425 118 A HA 0.302 4.655 4.320 0.054 0.000 0.242 118 A C -1.636 175.979 177.584 0.053 0.000 1.077 118 A CA -0.892 51.159 52.037 0.023 0.000 0.781 118 A CB -0.276 18.757 19.000 0.056 0.000 1.020 118 A HN 0.618 nan 8.150 nan 0.000 0.494 119 P HA 0.016 nan 4.420 nan 0.000 0.235 119 P C 1.336 178.438 177.300 -0.331 0.000 1.177 119 P CA 0.600 63.740 63.100 0.068 0.000 0.785 119 P CB 0.032 31.953 31.700 0.368 0.000 0.885 120 I N 2.138 122.259 120.570 -0.749 0.000 2.248 120 I HA -0.299 3.903 4.170 0.054 0.000 0.248 120 I C 2.376 178.058 176.117 -0.727 0.000 1.107 120 I CA 2.132 62.607 61.300 -1.375 0.000 1.373 120 I CB -1.096 36.236 38.000 -1.115 0.000 1.055 120 I HN 0.128 nan 8.210 nan 0.000 0.418 121 N N -0.062 118.402 118.700 -0.394 0.000 2.443 121 N HA -0.123 4.649 4.740 0.054 0.000 0.184 121 N C 1.239 176.714 175.510 -0.058 0.000 1.037 121 N CA 1.024 53.937 53.050 -0.228 0.000 0.896 121 N CB -0.046 38.302 38.487 -0.232 0.000 0.959 121 N HN 0.145 nan 8.380 nan 0.000 0.442 122 S N -0.930 114.722 115.700 -0.080 0.000 2.650 122 S HA 0.141 4.643 4.470 0.054 0.000 0.240 122 S C -0.624 174.030 174.600 0.090 0.000 1.007 122 S CA -0.779 57.427 58.200 0.010 0.000 0.984 122 S CB 0.014 63.156 63.200 -0.098 0.000 0.910 122 S HN 0.290 nan 8.310 nan 0.000 0.509 123 W N 2.930 124.070 121.300 -0.266 0.000 2.158 123 W HA 0.249 4.941 4.660 0.052 0.000 0.339 123 W C -1.993 174.382 176.519 -0.240 0.000 1.294 123 W CA -2.105 54.905 57.345 -0.558 0.000 1.231 123 W CB -0.418 28.755 29.460 -0.478 0.000 1.143 123 W HN 0.093 nan 8.180 nan 0.000 0.571 124 P HA -0.213 nan 4.420 nan 0.000 0.216 124 P C 1.285 178.551 177.300 -0.056 0.000 1.150 124 P CA 1.835 64.937 63.100 0.004 0.000 0.837 124 P CB 0.315 32.009 31.700 -0.011 0.000 0.786 125 D N -1.565 118.831 120.400 -0.008 0.000 2.310 125 D HA -0.077 4.596 4.640 0.054 0.000 0.212 125 D C 0.821 177.188 176.300 0.112 0.000 0.965 125 D CA 0.797 54.832 54.000 0.059 0.000 0.879 125 D CB -0.515 40.295 40.800 0.017 0.000 0.921 125 D HN 0.035 nan 8.370 nan 0.000 0.510 126 N N 0.085 118.791 118.700 0.010 0.000 2.279 126 N HA 0.163 4.935 4.740 0.054 0.000 0.226 126 N C -0.385 174.841 175.510 -0.473 0.000 1.126 126 N CA -0.095 52.911 53.050 -0.073 0.000 0.846 126 N CB 0.508 38.983 38.487 -0.020 0.000 1.050 126 N HN 0.004 nan 8.380 nan 0.000 0.502 127 A N 1.036 123.335 122.820 -0.869 0.000 2.546 127 A HA 0.126 4.478 4.320 0.054 0.000 0.243 127 A C 0.942 177.920 177.584 -1.010 0.000 1.063 127 A CA 0.045 50.959 52.037 -1.871 0.000 0.757 127 A CB 0.005 18.108 19.000 -1.496 0.000 0.991 127 A HN 0.450 nan 8.150 nan 0.000 0.503 128 N N 0.075 118.247 118.700 -0.880 0.000 2.900 128 N HA -0.177 4.596 4.740 0.054 0.000 0.240 128 N C 0.636 175.888 175.510 -0.430 0.000 0.953 128 N CA 1.509 54.247 53.050 -0.521 0.000 0.950 128 N CB -1.292 36.899 38.487 -0.494 0.000 1.102 128 N HN 0.670 nan 8.380 nan 0.000 0.593 129 L N 1.081 122.115 121.223 -0.315 0.000 2.478 129 L HA -0.073 4.299 4.340 0.054 0.000 0.223 129 L C 1.960 178.735 176.870 -0.159 0.000 1.140 129 L CA 1.088 55.800 54.840 -0.212 0.000 0.842 129 L CB -0.259 41.695 42.059 -0.175 0.000 0.953 129 L HN 0.214 nan 8.230 nan 0.000 0.452 130 D N 0.086 120.423 120.400 -0.105 0.000 2.178 130 D HA -0.226 4.446 4.640 0.054 0.000 0.202 130 D C 1.833 178.050 176.300 -0.138 0.000 0.974 130 D CA 1.059 55.004 54.000 -0.091 0.000 0.841 130 D CB 0.007 40.811 40.800 0.008 0.000 0.953 130 D HN 0.109 nan 8.370 nan 0.000 0.478 131 K N 0.877 121.131 120.400 -0.243 0.000 2.103 131 K HA 0.175 4.527 4.320 0.054 0.000 0.204 131 K C 2.228 178.772 176.600 -0.094 0.000 1.052 131 K CA 1.266 57.434 56.287 -0.198 0.000 0.945 131 K CB -0.530 31.485 32.500 -0.807 0.000 0.722 131 K HN 0.187 nan 8.250 nan 0.000 0.443 132 A N 1.004 123.707 122.820 -0.194 0.000 1.877 132 A HA -0.192 4.161 4.320 0.054 0.000 0.216 132 A C 2.027 179.697 177.584 0.144 0.000 1.186 132 A CA 1.588 53.564 52.037 -0.102 0.000 0.620 132 A CB -0.392 18.547 19.000 -0.101 0.000 0.822 132 A HN 0.205 nan 8.150 nan 0.000 0.443 133 R N -1.377 119.160 120.500 0.060 0.000 2.092 133 R HA -0.098 4.274 4.340 0.054 0.000 0.231 133 R C 2.384 178.777 176.300 0.155 0.000 1.119 133 R CA 1.395 57.539 56.100 0.072 0.000 0.970 133 R CB -0.253 29.937 30.300 -0.183 0.000 0.864 133 R HN 0.371 nan 8.270 nan 0.000 0.440 134 R N 1.352 121.919 120.500 0.111 0.000 2.120 134 R HA -0.040 4.333 4.340 0.054 0.000 0.234 134 R C 1.956 178.486 176.300 0.383 0.000 1.123 134 R CA 1.181 57.382 56.100 0.168 0.000 0.975 134 R CB -0.560 29.748 30.300 0.014 0.000 0.866 134 R HN 0.206 nan 8.270 nan 0.000 0.446 135 L N -0.255 121.225 121.223 0.428 0.000 2.191 135 L HA -0.113 4.259 4.340 0.054 0.000 0.212 135 L C 1.768 178.822 176.870 0.307 0.000 1.103 135 L CA 0.910 55.965 54.840 0.359 0.000 0.769 135 L CB -0.254 41.865 42.059 0.101 0.000 0.908 135 L HN 0.194 nan 8.230 nan 0.000 0.438 136 L N -1.088 120.326 121.223 0.319 0.000 2.509 136 L HA -0.093 4.280 4.340 0.054 0.000 0.222 136 L C 2.274 179.245 176.870 0.167 0.000 1.123 136 L CA -0.224 54.741 54.840 0.208 0.000 0.856 136 L CB -0.171 42.026 42.059 0.230 0.000 0.985 136 L HN 0.217 nan 8.230 nan 0.000 0.456 137 L N 1.494 122.902 121.223 0.309 0.000 1.990 137 L HA -0.141 4.231 4.340 0.054 0.000 0.213 137 L C -0.429 176.489 176.870 0.080 0.000 1.072 137 L CA 2.368 57.362 54.840 0.256 0.000 0.755 137 L CB -1.435 40.790 42.059 0.277 0.000 0.889 137 L HN 0.079 nan 8.230 nan 0.000 0.432 138 P HA -0.182 nan 4.420 nan 0.000 0.215 138 P C 2.134 179.451 177.300 0.027 0.000 1.157 138 P CA 1.816 64.955 63.100 0.065 0.000 0.874 138 P CB -0.054 31.704 31.700 0.097 0.000 0.790 139 I N -1.086 119.506 120.570 0.036 0.000 2.286 139 I HA -0.254 3.949 4.170 0.054 0.000 0.248 139 I C 2.360 178.499 176.117 0.036 0.000 1.115 139 I CA 1.331 62.677 61.300 0.076 0.000 1.392 139 I CB -0.325 37.705 38.000 0.050 0.000 1.065 139 I HN -0.103 nan 8.210 nan 0.000 0.418 140 K N 1.226 121.523 120.400 -0.171 0.000 2.026 140 K HA -0.210 4.143 4.320 0.054 0.000 0.208 140 K C 2.070 178.560 176.600 -0.184 0.000 1.048 140 K CA 1.688 57.754 56.287 -0.369 0.000 0.929 140 K CB -0.206 31.711 32.500 -0.971 0.000 0.713 140 K HN 0.307 nan 8.250 nan 0.000 0.439 141 Q N -0.024 119.708 119.800 -0.113 0.000 2.124 141 Q HA -0.158 4.214 4.340 0.054 0.000 0.202 141 Q C 2.045 178.003 176.000 -0.069 0.000 0.977 141 Q CA 1.645 57.412 55.803 -0.059 0.000 0.850 141 Q CB -0.149 28.577 28.738 -0.020 0.000 0.901 141 Q HN 0.303 nan 8.270 nan 0.000 0.429 142 K N 0.077 120.424 120.400 -0.088 0.000 2.057 142 K HA -0.168 4.184 4.320 0.054 0.000 0.207 142 K C 1.222 177.608 176.600 -0.358 0.000 1.049 142 K CA 1.317 57.467 56.287 -0.227 0.000 0.931 142 K CB 0.048 32.375 32.500 -0.287 0.000 0.714 142 K HN 0.205 nan 8.250 nan 0.000 0.440 143 Y N 0.006 120.268 120.300 -0.063 0.000 2.500 143 Y HA 0.180 4.763 4.550 0.056 0.000 0.270 143 Y C 1.474 177.359 175.900 -0.024 0.000 1.134 143 Y CA 0.308 58.382 58.100 -0.043 0.000 1.293 143 Y CB 0.321 38.753 38.460 -0.046 0.000 1.063 143 Y HN 0.359 nan 8.280 nan 0.000 0.534 144 G N 0.693 109.525 108.800 0.054 0.000 2.596 144 G HA2 -0.415 3.578 3.960 0.054 0.000 0.295 144 G HA3 -0.415 3.578 3.960 0.054 0.000 0.295 144 G C 0.930 175.878 174.900 0.079 0.000 1.240 144 G CA 0.690 45.809 45.100 0.032 0.000 0.985 144 G HN 0.360 nan 8.290 nan 0.000 0.555 145 Q N 0.122 119.981 119.800 0.098 0.000 2.439 145 Q HA -0.034 4.338 4.340 0.054 0.000 0.211 145 Q C 2.558 178.795 176.000 0.394 0.000 0.978 145 Q CA 1.364 57.280 55.803 0.188 0.000 0.897 145 Q CB -0.128 28.660 28.738 0.083 0.000 0.956 145 Q HN 0.631 nan 8.270 nan 0.000 0.483 146 K N 0.174 120.750 120.400 0.293 0.000 2.280 146 K HA 0.002 4.354 4.320 0.054 0.000 0.202 146 K C 0.639 177.459 176.600 0.368 0.000 1.047 146 K CA 0.623 57.076 56.287 0.277 0.000 0.942 146 K CB 0.332 32.937 32.500 0.175 0.000 0.739 146 K HN 0.143 nan 8.250 nan 0.000 0.457 147 I N 0.724 121.519 120.570 0.376 0.000 2.586 147 I HA 0.037 4.239 4.170 0.054 0.000 0.288 147 I C -0.595 175.650 176.117 0.212 0.000 1.147 147 I CA -0.637 60.908 61.300 0.407 0.000 1.047 147 I CB 1.745 39.859 38.000 0.191 0.000 1.244 147 I HN -0.006 nan 8.210 nan 0.000 0.429 148 S N 4.382 120.196 115.700 0.189 0.000 2.600 148 S HA 0.174 4.676 4.470 0.054 0.000 0.265 148 S C 0.647 175.225 174.600 -0.037 0.000 1.325 148 S CA -0.236 57.918 58.200 -0.077 0.000 1.002 148 S CB 0.767 63.779 63.200 -0.313 0.000 0.921 148 S HN 0.805 nan 8.310 nan 0.000 0.554 149 W N 0.860 122.106 121.300 -0.090 0.000 2.358 149 W HA -0.033 4.659 4.660 0.053 0.000 0.303 149 W C 2.786 179.252 176.519 -0.089 0.000 1.208 149 W CA 1.172 58.462 57.345 -0.092 0.000 1.274 149 W CB -0.618 28.750 29.460 -0.153 0.000 1.138 149 W HN 0.929 nan 8.180 nan 0.000 0.515 150 A N 0.245 123.140 122.820 0.125 0.000 1.865 150 A HA -0.260 4.093 4.320 0.054 0.000 0.217 150 A C 1.693 179.289 177.584 0.020 0.000 1.191 150 A CA 2.303 54.352 52.037 0.020 0.000 0.623 150 A CB -0.972 17.993 19.000 -0.059 0.000 0.826 150 A HN 0.167 nan 8.150 nan 0.000 0.444 151 D N -0.687 119.736 120.400 0.038 0.000 2.117 151 D HA -0.100 4.572 4.640 0.054 0.000 0.198 151 D C 1.857 178.262 176.300 0.175 0.000 0.982 151 D CA 1.156 55.227 54.000 0.119 0.000 0.828 151 D CB -0.397 40.516 40.800 0.189 0.000 0.967 151 D HN 0.307 nan 8.370 nan 0.000 0.464 152 L N 0.394 121.679 121.223 0.102 0.000 2.046 152 L HA -0.097 4.276 4.340 0.054 0.000 0.208 152 L C 2.218 179.113 176.870 0.041 0.000 1.077 152 L CA 1.490 56.348 54.840 0.029 0.000 0.747 152 L CB -0.437 41.584 42.059 -0.064 0.000 0.896 152 L HN -0.006 nan 8.230 nan 0.000 0.432 153 M N -1.428 118.236 119.600 0.106 0.000 2.117 153 M HA -0.216 4.296 4.480 0.054 0.000 0.262 153 M C 2.035 178.400 176.300 0.108 0.000 1.065 153 M CA 1.348 56.714 55.300 0.109 0.000 1.114 153 M CB -0.339 32.331 32.600 0.116 0.000 1.361 153 M HN 0.228 nan 8.290 nan 0.000 0.408 154 I N 0.010 120.648 120.570 0.114 0.000 2.252 154 I HA -0.220 3.982 4.170 0.054 0.000 0.245 154 I C 2.392 178.635 176.117 0.211 0.000 1.102 154 I CA 1.189 62.589 61.300 0.166 0.000 1.385 154 I CB -1.294 36.777 38.000 0.118 0.000 1.064 154 I HN 0.291 nan 8.210 nan 0.000 0.414 155 L N 1.562 122.838 121.223 0.087 0.000 2.083 155 L HA -0.115 4.258 4.340 0.054 0.000 0.209 155 L C 2.560 179.360 176.870 -0.118 0.000 1.083 155 L CA 2.009 56.717 54.840 -0.220 0.000 0.752 155 L CB -0.844 40.991 42.059 -0.374 0.000 0.899 155 L HN 0.191 nan 8.230 nan 0.000 0.433 156 A N -0.700 122.063 122.820 -0.095 0.000 1.902 156 A HA -0.082 4.270 4.320 0.054 0.000 0.217 156 A C 2.349 179.922 177.584 -0.018 0.000 1.181 156 A CA 1.546 53.460 52.037 -0.205 0.000 0.623 156 A CB -1.493 17.262 19.000 -0.409 0.000 0.818 156 A HN 0.512 nan 8.150 nan 0.000 0.443 157 G N -0.224 108.682 108.800 0.177 0.000 2.418 157 G HA2 -0.260 3.732 3.960 0.054 0.000 0.217 157 G HA3 -0.260 3.732 3.960 0.054 0.000 0.217 157 G C 1.424 176.463 174.900 0.232 0.000 1.158 157 G CA 1.186 46.490 45.100 0.340 0.000 0.771 157 G HN 0.548 nan 8.290 nan 0.000 0.545 158 N N 0.199 119.062 118.700 0.272 0.000 2.084 158 N HA -0.098 4.674 4.740 0.054 0.000 0.190 158 N C 2.279 177.811 175.510 0.037 0.000 1.030 158 N CA 1.141 54.305 53.050 0.190 0.000 0.849 158 N CB -0.502 38.095 38.487 0.184 0.000 1.012 158 N HN 0.152 nan 8.380 nan 0.000 0.423 159 V N 0.930 120.839 119.914 -0.008 0.000 2.407 159 V HA -0.189 3.963 4.120 0.054 0.000 0.248 159 V C 2.217 178.325 176.094 0.024 0.000 1.055 159 V CA 1.704 63.991 62.300 -0.021 0.000 1.049 159 V CB -1.004 30.781 31.823 -0.063 0.000 0.662 159 V HN 0.339 nan 8.190 nan 0.000 0.455 160 A N 0.213 123.061 122.820 0.046 0.000 1.858 160 A HA -0.197 4.156 4.320 0.054 0.000 0.216 160 A C 2.182 179.717 177.584 -0.082 0.000 1.190 160 A CA 2.062 54.152 52.037 0.088 0.000 0.617 160 A CB -0.551 18.534 19.000 0.142 0.000 0.827 160 A HN 0.485 nan 8.150 nan 0.000 0.443 161 I N -0.504 119.960 120.570 -0.178 0.000 2.163 161 I HA -0.291 3.911 4.170 0.054 0.000 0.243 161 I C 2.562 178.659 176.117 -0.034 0.000 1.085 161 I CA 1.849 63.006 61.300 -0.238 0.000 1.347 161 I CB -0.512 37.343 38.000 -0.242 0.000 1.044 161 I HN 0.446 nan 8.210 nan 0.000 0.408 162 E N 0.555 120.751 120.200 -0.006 0.000 2.077 162 E HA -0.212 4.170 4.350 0.054 0.000 0.193 162 E C 2.251 178.876 176.600 0.041 0.000 0.989 162 E CA 1.754 58.161 56.400 0.012 0.000 0.800 162 E CB -0.139 29.555 29.700 -0.009 0.000 0.746 162 E HN 0.525 nan 8.360 nan 0.000 0.452 163 S N 0.444 116.180 115.700 0.060 0.000 2.442 163 S HA -0.102 4.400 4.470 0.054 0.000 0.236 163 S C 1.718 176.396 174.600 0.130 0.000 1.007 163 S CA 0.832 59.102 58.200 0.117 0.000 0.965 163 S CB -0.127 63.192 63.200 0.198 0.000 0.773 163 S HN 0.158 nan 8.310 nan 0.000 0.504 164 M N 1.031 120.679 119.600 0.079 0.000 2.551 164 M HA 0.320 4.832 4.480 0.054 0.000 0.252 164 M C 1.172 177.628 176.300 0.259 0.000 1.219 164 M CA 0.382 55.749 55.300 0.111 0.000 0.978 164 M CB 0.364 32.971 32.600 0.012 0.000 1.533 164 M HN 0.576 nan 8.290 nan 0.000 0.474 165 G N 1.452 110.373 108.800 0.201 0.000 2.130 165 G HA2 -0.267 3.726 3.960 0.054 0.000 0.216 165 G HA3 -0.267 3.726 3.960 0.054 0.000 0.216 165 G C -0.534 174.500 174.900 0.224 0.000 0.999 165 G CA -0.523 44.708 45.100 0.219 0.000 0.686 165 G HN 0.466 nan 8.290 nan 0.000 0.515 166 F N 1.375 121.300 119.950 -0.041 0.000 2.562 166 F HA 0.618 5.171 4.527 0.044 0.000 0.319 166 F C 0.076 175.751 175.800 -0.209 0.000 1.154 166 F CA -1.147 56.690 58.000 -0.272 0.000 0.931 166 F CB 1.259 39.949 39.000 -0.517 0.000 1.198 166 F HN -0.022 nan 8.300 nan 0.000 0.444 167 K N 4.153 124.094 120.400 -0.765 0.000 2.276 167 K HA 0.323 4.675 4.320 0.054 0.000 0.283 167 K C 0.132 176.443 176.600 -0.481 0.000 1.044 167 K CA -0.389 55.603 56.287 -0.492 0.000 0.944 167 K CB 0.887 33.139 32.500 -0.413 0.000 1.012 167 K HN 0.706 nan 8.250 nan 0.000 0.472 168 T N -0.651 113.805 114.554 -0.163 0.000 2.882 168 T HA 0.108 4.490 4.350 0.054 0.000 0.287 168 T C 0.817 175.512 174.700 -0.009 0.000 1.014 168 T CA -0.626 61.477 62.100 0.005 0.000 1.049 168 T CB 0.467 69.419 68.868 0.141 0.000 1.001 168 T HN 0.485 nan 8.240 nan 0.000 0.525 169 F N 1.151 121.052 119.950 -0.082 0.000 2.367 169 F HA 0.384 4.967 4.527 0.093 0.000 0.298 169 F C 1.179 176.788 175.800 -0.318 0.000 1.094 169 F CA 1.178 59.065 58.000 -0.189 0.000 1.409 169 F CB -0.301 38.601 39.000 -0.163 0.000 1.064 169 F HN 1.121 nan 8.300 nan 0.000 0.528 170 G N -1.755 106.920 108.800 -0.209 0.000 2.313 170 G HA2 0.345 4.337 3.960 0.054 0.000 0.296 170 G HA3 0.345 4.337 3.960 0.054 0.000 0.296 170 G C -2.445 172.527 174.900 0.120 0.000 1.356 170 G CA -0.444 44.496 45.100 -0.267 0.000 0.833 170 G HN 0.121 nan 8.290 nan 0.000 0.552 171 Y N -0.294 120.056 120.300 0.083 0.000 2.474 171 Y HA 0.691 5.272 4.550 0.053 0.000 0.326 171 Y C -0.875 175.220 175.900 0.324 0.000 1.160 171 Y CA -0.110 58.179 58.100 0.315 0.000 1.056 171 Y CB 1.631 40.239 38.460 0.248 0.000 1.330 171 Y HN 1.488 nan 8.280 nan 0.000 0.447 172 A N 3.292 125.871 122.820 -0.401 0.000 2.414 172 A HA 0.866 5.218 4.320 0.054 0.000 0.306 172 A C -0.446 176.600 177.584 -0.898 0.000 1.054 172 A CA -0.209 51.590 52.037 -0.397 0.000 0.724 172 A CB 1.187 20.096 19.000 -0.152 0.000 1.267 172 A HN 1.256 nan 8.150 nan 0.000 0.418 173 G N -0.830 107.552 108.800 -0.696 0.000 2.552 173 G HA2 0.611 4.603 3.960 0.054 0.000 0.318 173 G HA3 0.611 4.603 3.960 0.054 0.000 0.318 173 G C 0.733 175.111 174.900 -0.870 0.000 1.240 173 G CA -0.345 44.118 45.100 -1.061 0.000 1.002 173 G HN 2.177 nan 8.290 nan 0.000 0.493 174 G N -1.435 106.975 108.800 -0.649 0.000 2.273 174 G HA2 -0.173 3.820 3.960 0.054 0.000 0.162 174 G HA3 -0.173 3.820 3.960 0.054 0.000 0.162 174 G C 0.398 175.282 174.900 -0.026 0.000 1.006 174 G CA -0.415 44.533 45.100 -0.253 0.000 0.704 174 G HN 0.714 nan 8.290 nan 0.000 0.487 175 R N 1.519 121.962 120.500 -0.094 0.000 2.288 175 R HA 0.407 4.779 4.340 0.054 0.000 0.330 175 R C -0.230 175.957 176.300 -0.188 0.000 1.069 175 R CA -0.096 55.922 56.100 -0.137 0.000 0.941 175 R CB 0.682 30.874 30.300 -0.181 0.000 0.998 175 R HN 0.401 nan 8.270 nan 0.000 0.452 176 E N 2.324 122.431 120.200 -0.155 0.000 2.289 176 E HA 0.017 4.399 4.350 0.054 0.000 0.278 176 E C -0.566 175.943 176.600 -0.151 0.000 1.032 176 E CA -0.456 55.801 56.400 -0.238 0.000 0.854 176 E CB 0.803 30.481 29.700 -0.037 0.000 1.046 176 E HN 0.318 nan 8.360 nan 0.000 0.409 177 D N 1.618 121.911 120.400 -0.178 0.000 2.443 177 D HA 0.150 4.822 4.640 0.054 0.000 0.239 177 D C -0.244 176.022 176.300 -0.056 0.000 1.136 177 D CA 0.199 54.132 54.000 -0.111 0.000 0.879 177 D CB 0.995 41.700 40.800 -0.158 0.000 1.195 177 D HN 0.433 nan 8.370 nan 0.000 0.443 178 A N 1.657 124.455 122.820 -0.037 0.000 2.269 178 A HA 0.529 4.882 4.320 0.054 0.000 0.319 178 A C -0.151 177.350 177.584 -0.138 0.000 1.110 178 A CA -0.466 51.577 52.037 0.010 0.000 0.847 178 A CB 0.488 19.509 19.000 0.035 0.000 1.161 178 A HN 0.563 nan 8.150 nan 0.000 0.497 179 F N -0.432 119.423 119.950 -0.159 0.000 2.724 179 F HA 0.253 4.812 4.527 0.055 0.000 0.310 179 F C 0.662 175.914 175.800 -0.914 0.000 1.107 179 F CA 0.535 58.356 58.000 -0.297 0.000 1.218 179 F CB 0.576 39.515 39.000 -0.102 0.000 1.042 179 F HN 0.796 nan 8.300 nan 0.000 0.540 180 E N -0.944 118.612 120.200 -1.073 0.000 2.427 180 E HA 0.180 4.563 4.350 0.054 0.000 0.279 180 E C -1.206 175.045 176.600 -0.582 0.000 1.120 180 E CA -1.132 54.686 56.400 -0.970 0.000 0.869 180 E CB 0.985 30.460 29.700 -0.376 0.000 1.393 180 E HN -0.046 nan 8.360 nan 0.000 0.443 181 E N 1.380 121.416 120.200 -0.273 0.000 2.391 181 E HA 0.083 4.465 4.350 0.054 0.000 0.255 181 E C -0.718 175.872 176.600 -0.017 0.000 1.187 181 E CA -0.264 56.115 56.400 -0.035 0.000 0.941 181 E CB 0.583 30.317 29.700 0.058 0.000 1.010 181 E HN 0.508 nan 8.360 nan 0.000 0.458 182 D N 0.792 121.218 120.400 0.043 0.000 2.380 182 D HA 0.098 4.770 4.640 0.054 0.000 0.230 182 D C 0.294 176.604 176.300 0.017 0.000 1.154 182 D CA -0.331 53.679 54.000 0.018 0.000 0.859 182 D CB 0.642 41.451 40.800 0.015 0.000 1.045 182 D HN 0.343 nan 8.370 nan 0.000 0.495 183 K N 2.283 122.685 120.400 0.005 0.000 2.362 183 K HA -0.049 4.304 4.320 0.054 0.000 0.200 183 K C 1.514 178.099 176.600 -0.025 0.000 1.046 183 K CA 0.783 57.074 56.287 0.008 0.000 0.952 183 K CB 0.220 32.725 32.500 0.008 0.000 0.753 183 K HN 0.400 nan 8.250 nan 0.000 0.466 184 A N 1.095 123.884 122.820 -0.051 0.000 2.167 184 A HA 0.028 4.380 4.320 0.054 0.000 0.214 184 A C 0.836 178.322 177.584 -0.164 0.000 1.151 184 A CA 0.174 52.162 52.037 -0.082 0.000 0.735 184 A CB 0.114 19.075 19.000 -0.065 0.000 0.802 184 A HN 0.010 nan 8.150 nan 0.000 0.467 185 V N 2.205 121.968 119.914 -0.252 0.000 2.470 185 V HA 0.107 4.259 4.120 0.054 0.000 0.276 185 V C 0.084 175.835 176.094 -0.571 0.000 1.040 185 V CA -0.585 61.394 62.300 -0.536 0.000 1.008 185 V CB 0.589 31.853 31.823 -0.932 0.000 0.990 185 V HN 0.485 nan 8.190 nan 0.000 0.477 186 N N 4.069 122.502 118.700 -0.446 0.000 2.462 186 N HA 0.184 4.957 4.740 0.054 0.000 0.242 186 N C 0.274 175.639 175.510 -0.242 0.000 1.010 186 N CA -0.430 52.473 53.050 -0.245 0.000 0.939 186 N CB 0.752 39.165 38.487 -0.123 0.000 1.127 186 N HN 0.713 nan 8.380 nan 0.000 0.509 187 W N 3.093 124.450 121.300 0.095 0.000 2.937 187 W HA 0.236 4.927 4.660 0.052 0.000 0.245 187 W C 1.307 177.847 176.519 0.035 0.000 1.306 187 W CA 0.174 57.584 57.345 0.107 0.000 1.470 187 W CB 0.358 29.952 29.460 0.223 0.000 1.132 187 W HN 0.652 nan 8.180 nan 0.000 0.675 188 G N -0.891 108.020 108.800 0.185 0.000 2.347 188 G HA2 -0.058 3.934 3.960 0.054 0.000 0.321 188 G HA3 -0.058 3.934 3.960 0.054 0.000 0.321 188 G C -2.331 172.609 174.900 0.066 0.000 1.412 188 G CA -0.555 44.611 45.100 0.110 0.000 0.990 188 G HN -0.273 nan 8.290 nan 0.000 0.637 189 P HA 0.111 nan 4.420 nan 0.000 0.231 189 P C 0.356 177.654 177.300 -0.004 0.000 1.168 189 P CA 0.616 63.725 63.100 0.016 0.000 0.779 189 P CB 0.289 31.997 31.700 0.013 0.000 0.844 190 E N 0.760 120.954 120.200 -0.009 0.000 2.398 190 E HA 0.040 4.423 4.350 0.054 0.000 0.263 190 E C 0.523 177.076 176.600 -0.078 0.000 1.046 190 E CA 0.320 56.696 56.400 -0.040 0.000 0.908 190 E CB 0.160 29.836 29.700 -0.040 0.000 0.963 190 E HN -0.070 nan 8.360 nan 0.000 0.431 191 D N 1.122 121.467 120.400 -0.092 0.000 2.369 191 D HA 0.020 4.692 4.640 0.054 0.000 0.211 191 D C -0.624 175.566 176.300 -0.185 0.000 1.077 191 D CA 0.133 54.059 54.000 -0.124 0.000 0.842 191 D CB 0.372 41.120 40.800 -0.086 0.000 0.947 191 D HN 0.425 nan 8.370 nan 0.000 0.509 192 E N -0.416 119.675 120.200 -0.181 0.000 2.292 192 E HA 0.218 4.601 4.350 0.054 0.000 0.272 192 E C -0.878 175.633 176.600 -0.149 0.000 0.881 192 E CA -0.664 55.626 56.400 -0.183 0.000 0.754 192 E CB 1.037 30.693 29.700 -0.072 0.000 1.201 192 E HN -0.100 nan 8.360 nan 0.000 0.425 193 F N 2.305 122.238 119.950 -0.028 0.000 2.496 193 F HA 0.074 4.634 4.527 0.054 0.000 0.344 193 F C 1.081 176.858 175.800 -0.040 0.000 1.155 193 F CA 0.377 58.339 58.000 -0.063 0.000 1.302 193 F CB 0.572 39.552 39.000 -0.034 0.000 1.159 193 F HN 0.696 nan 8.300 nan 0.000 0.595 194 E N -0.086 120.215 120.200 0.169 0.000 2.476 194 E HA -0.215 4.167 4.350 0.054 0.000 0.251 194 E C -0.572 176.072 176.600 0.074 0.000 1.130 194 E CA 0.641 57.099 56.400 0.096 0.000 0.736 194 E CB -1.553 28.210 29.700 0.105 0.000 1.298 194 E HN 0.649 nan 8.360 nan 0.000 0.400 195 T N -1.941 112.643 114.554 0.051 0.000 2.896 195 T HA 0.595 4.978 4.350 0.054 0.000 0.297 195 T C -0.779 173.929 174.700 0.012 0.000 1.108 195 T CA -1.069 61.045 62.100 0.024 0.000 1.004 195 T CB 2.320 71.189 68.868 0.002 0.000 1.159 195 T HN 0.154 nan 8.240 nan 0.000 0.499 196 Q N -0.044 119.746 119.800 -0.018 0.000 2.305 196 Q HA 0.652 5.024 4.340 0.054 0.000 0.271 196 Q C -1.122 174.816 176.000 -0.104 0.000 1.046 196 Q CA -0.649 55.134 55.803 -0.033 0.000 0.798 196 Q CB 2.035 30.773 28.738 0.000 0.000 1.286 196 Q HN 0.773 nan 8.270 nan 0.000 0.435 197 E N 1.820 121.981 120.200 -0.064 0.000 3.428 197 E HA 0.195 4.578 4.350 0.054 0.000 0.191 197 E C -0.121 176.461 176.600 -0.030 0.000 0.980 197 E CA -0.055 56.303 56.400 -0.070 0.000 1.305 197 E CB 0.594 30.270 29.700 -0.042 0.000 1.105 197 E HN 0.754 nan 8.360 nan 0.000 0.455 198 R N 0.360 120.857 120.500 -0.004 0.000 2.509 198 R HA 0.233 4.606 4.340 0.054 0.000 0.297 198 R C -0.128 176.292 176.300 0.200 0.000 0.951 198 R CA -0.204 55.954 56.100 0.097 0.000 1.103 198 R CB 0.183 30.570 30.300 0.145 0.000 1.283 198 R HN 0.055 nan 8.270 nan 0.000 0.534 199 F N -0.961 119.008 119.950 0.031 0.000 2.615 199 F HA 0.551 5.112 4.527 0.056 0.000 0.312 199 F C -0.653 175.166 175.800 0.031 0.000 1.119 199 F CA -1.203 56.817 58.000 0.033 0.000 0.979 199 F CB 1.628 40.653 39.000 0.041 0.000 1.266 199 F HN -0.334 nan 8.300 nan 0.000 0.444 200 D N 0.804 121.303 120.400 0.166 0.000 2.323 200 D HA 0.064 4.736 4.640 0.054 0.000 0.218 200 D C -0.119 176.311 176.300 0.216 0.000 0.973 200 D CA 1.058 55.101 54.000 0.072 0.000 0.890 200 D CB 0.487 41.320 40.800 0.055 0.000 1.011 200 D HN 0.521 nan 8.370 nan 0.000 0.499 201 E N 0.951 121.337 120.200 0.310 0.000 2.222 201 E HA 0.383 4.766 4.350 0.054 0.000 0.267 201 E C -2.567 174.180 176.600 0.245 0.000 0.884 201 E CA -2.337 54.214 56.400 0.252 0.000 0.764 201 E CB 2.149 31.926 29.700 0.130 0.000 1.169 201 E HN -0.129 nan 8.360 nan 0.000 0.413 202 P HA 0.045 nan 4.420 nan 0.000 0.265 202 P C 0.683 177.921 177.300 -0.103 0.000 1.193 202 P CA 0.929 63.937 63.100 -0.153 0.000 0.765 202 P CB 0.441 32.098 31.700 -0.072 0.000 0.823 203 G N 2.044 110.743 108.800 -0.169 0.000 2.157 203 G HA2 -0.204 3.789 3.960 0.054 0.000 0.248 203 G HA3 -0.204 3.789 3.960 0.054 0.000 0.248 203 G C 0.250 175.136 174.900 -0.023 0.000 0.979 203 G CA -0.267 44.789 45.100 -0.073 0.000 0.650 203 G HN 0.574 nan 8.290 nan 0.000 0.529 204 E N 0.225 120.426 120.200 0.001 0.000 3.167 204 E HA 0.315 4.697 4.350 0.054 0.000 0.210 204 E C 0.761 177.425 176.600 0.107 0.000 1.004 204 E CA -0.391 56.046 56.400 0.061 0.000 1.256 204 E CB 0.389 30.144 29.700 0.092 0.000 1.193 204 E HN 0.595 nan 8.360 nan 0.000 0.448 205 I N 1.548 122.161 120.570 0.072 0.000 2.634 205 I HA -0.045 4.157 4.170 0.054 0.000 0.284 205 I C 1.186 177.363 176.117 0.101 0.000 1.124 205 I CA -0.091 61.283 61.300 0.124 0.000 1.417 205 I CB 0.448 38.493 38.000 0.074 0.000 1.396 205 I HN 0.079 nan 8.210 nan 0.000 0.571 206 Q N 5.932 125.801 119.800 0.115 0.000 2.304 206 Q HA -0.048 4.324 4.340 0.054 0.000 0.315 206 Q C -0.345 175.687 176.000 0.053 0.000 1.075 206 Q CA 0.124 55.972 55.803 0.075 0.000 0.988 206 Q CB 0.504 29.285 28.738 0.072 0.000 1.146 206 Q HN 0.499 nan 8.270 nan 0.000 0.383 207 E N 2.162 122.382 120.200 0.034 0.000 2.442 207 E HA 0.091 4.473 4.350 0.054 0.000 0.262 207 E C 0.705 177.308 176.600 0.005 0.000 1.004 207 E CA 0.830 57.240 56.400 0.017 0.000 0.928 207 E CB 0.339 30.043 29.700 0.007 0.000 0.937 207 E HN 0.991 nan 8.360 nan 0.000 0.446 208 G N 2.297 111.092 108.800 -0.008 0.000 2.176 208 G HA2 -0.266 3.727 3.960 0.054 0.000 0.253 208 G HA3 -0.266 3.727 3.960 0.054 0.000 0.253 208 G C -0.010 174.878 174.900 -0.020 0.000 0.979 208 G CA -0.185 44.897 45.100 -0.030 0.000 0.641 208 G HN 0.355 nan 8.290 nan 0.000 0.530 209 L N 0.159 121.392 121.223 0.017 0.000 2.346 209 L HA 0.658 5.030 4.340 0.054 0.000 0.276 209 L C 1.521 178.434 176.870 0.072 0.000 1.006 209 L CA -0.257 54.615 54.840 0.054 0.000 0.817 209 L CB 1.842 43.950 42.059 0.081 0.000 1.272 209 L HN 0.090 nan 8.230 nan 0.000 0.421 210 G N 1.450 110.314 108.800 0.106 0.000 2.939 210 G HA2 0.386 4.379 3.960 0.054 0.000 0.210 210 G HA3 0.386 4.379 3.960 0.054 0.000 0.210 210 G C 0.364 175.379 174.900 0.191 0.000 1.160 210 G CA 0.603 45.785 45.100 0.136 0.000 0.770 210 G HN 0.622 nan 8.290 nan 0.000 0.543 211 A N -0.179 122.735 122.820 0.156 0.000 2.430 211 A HA 0.652 5.005 4.320 0.054 0.000 0.300 211 A C 1.012 178.673 177.584 0.129 0.000 1.124 211 A CA 0.338 52.459 52.037 0.140 0.000 0.766 211 A CB 1.232 20.256 19.000 0.041 0.000 1.328 211 A HN 0.462 nan 8.150 nan 0.000 0.424 212 S N -0.861 114.920 115.700 0.135 0.000 2.556 212 S HA 0.393 4.895 4.470 0.054 0.000 0.216 212 S C 0.088 174.847 174.600 0.265 0.000 0.970 212 S CA 0.279 58.588 58.200 0.182 0.000 0.912 212 S CB -0.310 62.924 63.200 0.057 0.000 0.790 212 S HN 0.848 nan 8.310 nan 0.000 0.504 213 V N 1.986 121.983 119.914 0.139 0.000 2.932 213 V HA 0.461 4.614 4.120 0.054 0.000 0.307 213 V C -0.662 175.411 176.094 -0.036 0.000 1.147 213 V CA -0.994 61.359 62.300 0.088 0.000 0.951 213 V CB 1.906 33.786 31.823 0.096 0.000 1.031 213 V HN 0.424 nan 8.190 nan 0.000 0.426 214 M N 3.644 123.221 119.600 -0.037 0.000 2.246 214 M HA 0.547 5.059 4.480 0.054 0.000 0.350 214 M C 1.048 177.210 176.300 -0.230 0.000 1.406 214 M CA 1.568 56.800 55.300 -0.113 0.000 1.089 214 M CB -0.327 32.258 32.600 -0.024 0.000 1.782 214 M HN 1.362 nan 8.290 nan 0.000 0.457 215 G N 3.869 112.200 108.800 -0.783 0.000 2.175 215 G HA2 -0.169 3.823 3.960 0.054 0.000 0.244 215 G HA3 -0.169 3.823 3.960 0.054 0.000 0.244 215 G C -0.235 174.178 174.900 -0.811 0.000 0.982 215 G CA 0.234 44.588 45.100 -1.243 0.000 0.641 215 G HN 0.705 nan 8.290 nan 0.000 0.527 216 L N 0.645 121.528 121.223 -0.567 0.000 2.334 216 L HA 0.514 4.886 4.340 0.054 0.000 0.270 216 L C 1.765 178.449 176.870 -0.309 0.000 1.018 216 L CA -1.510 53.163 54.840 -0.278 0.000 0.811 216 L CB 0.928 42.931 42.059 -0.093 0.000 1.271 216 L HN -0.175 nan 8.230 nan 0.000 0.443 217 I N 0.027 120.418 120.570 -0.299 0.000 2.162 217 I HA -0.201 4.001 4.170 0.054 0.000 0.238 217 I C 1.447 177.250 176.117 -0.524 0.000 1.076 217 I CA 2.245 63.217 61.300 -0.547 0.000 1.353 217 I CB -0.609 36.815 38.000 -0.960 0.000 1.063 217 I HN 0.646 nan 8.210 nan 0.000 0.408 218 Y N -0.676 119.638 120.300 0.024 0.000 3.011 218 Y HA 0.255 4.838 4.550 0.056 0.000 0.231 218 Y C 0.726 176.697 175.900 0.118 0.000 0.983 218 Y CA -0.218 57.934 58.100 0.087 0.000 1.429 218 Y CB 0.391 38.961 38.460 0.184 0.000 1.491 218 Y HN -0.085 nan 8.280 nan 0.000 0.444 219 V N -1.674 118.447 119.914 0.345 0.000 3.167 219 V HA 0.428 4.580 4.120 0.054 0.000 0.310 219 V C -1.151 175.071 176.094 0.214 0.000 1.207 219 V CA -1.361 61.083 62.300 0.240 0.000 1.059 219 V CB 1.642 33.601 31.823 0.228 0.000 1.079 219 V HN 0.295 nan 8.190 nan 0.000 0.446 220 N N 2.205 121.020 118.700 0.192 0.000 2.411 220 N HA 0.356 5.128 4.740 0.054 0.000 0.259 220 N C -1.370 174.266 175.510 0.211 0.000 1.103 220 N CA -1.389 51.777 53.050 0.193 0.000 0.954 220 N CB 1.565 40.170 38.487 0.197 0.000 1.085 220 N HN 0.655 nan 8.380 nan 0.000 0.485 221 P HA -0.159 nan 4.420 nan 0.000 0.222 221 P C 0.084 177.536 177.300 0.253 0.000 1.147 221 P CA 1.379 64.629 63.100 0.251 0.000 0.790 221 P CB 0.287 32.146 31.700 0.265 0.000 0.780 222 E N -0.428 119.930 120.200 0.262 0.000 2.299 222 E HA 0.261 4.644 4.350 0.054 0.000 0.193 222 E C 0.994 177.736 176.600 0.237 0.000 0.998 222 E CA 0.389 56.982 56.400 0.321 0.000 0.851 222 E CB 0.017 29.958 29.700 0.403 0.000 0.795 222 E HN 0.271 nan 8.360 nan 0.000 0.492 223 G N 1.366 110.282 108.800 0.192 0.000 2.340 223 G HA2 -0.070 3.923 3.960 0.054 0.000 0.527 223 G HA3 -0.070 3.923 3.960 0.054 0.000 0.527 223 G C -3.147 171.847 174.900 0.157 0.000 1.381 223 G CA -1.343 43.839 45.100 0.138 0.000 1.001 223 G HN -0.222 nan 8.290 nan 0.000 0.626 224 P HA 0.295 nan 4.420 nan 0.000 0.267 224 P C -0.095 177.364 177.300 0.265 0.000 1.205 224 P CA 0.713 63.967 63.100 0.257 0.000 0.765 224 P CB 0.398 32.230 31.700 0.220 0.000 0.828 225 D N 2.852 123.432 120.400 0.299 0.000 2.983 225 D HA -0.200 4.472 4.640 0.054 0.000 0.225 225 D C 1.107 177.501 176.300 0.156 0.000 1.174 225 D CA 1.941 56.041 54.000 0.167 0.000 0.831 225 D CB -1.581 39.282 40.800 0.104 0.000 1.104 225 D HN 0.809 nan 8.370 nan 0.000 0.421 226 G N -0.598 108.313 108.800 0.186 0.000 2.162 226 G HA2 -0.327 3.666 3.960 0.054 0.000 0.260 226 G HA3 -0.327 3.666 3.960 0.054 0.000 0.260 226 G C 0.058 175.073 174.900 0.192 0.000 0.976 226 G CA 0.271 45.509 45.100 0.230 0.000 0.655 226 G HN 0.408 nan 8.290 nan 0.000 0.533 227 N N 1.227 119.965 118.700 0.065 0.000 2.438 227 N HA 0.416 5.188 4.740 0.054 0.000 0.282 227 N C -2.279 173.093 175.510 -0.230 0.000 1.037 227 N CA -1.536 51.446 53.050 -0.113 0.000 0.942 227 N CB 1.979 40.447 38.487 -0.033 0.000 1.136 227 N HN 0.094 nan 8.380 nan 0.000 0.481 228 P HA 0.024 nan 4.420 nan 0.000 0.232 228 P C -0.681 176.610 177.300 -0.014 0.000 1.738 228 P CA 0.014 62.909 63.100 -0.342 0.000 0.948 228 P CB -0.215 30.951 31.700 -0.890 0.000 1.943 229 D N 1.888 122.294 120.400 0.010 0.000 2.443 229 D HA 0.181 4.854 4.640 0.054 0.000 0.221 229 D C -1.630 174.711 176.300 0.067 0.000 1.097 229 D CA -2.438 51.594 54.000 0.054 0.000 0.865 229 D CB 1.420 42.235 40.800 0.024 0.000 1.034 229 D HN 0.018 nan 8.370 nan 0.000 0.511 230 P HA -0.114 nan 4.420 nan 0.000 0.215 230 P C 0.878 178.170 177.300 -0.014 0.000 1.157 230 P CA 1.065 64.145 63.100 -0.033 0.000 0.868 230 P CB 0.543 32.151 31.700 -0.153 0.000 0.788 231 E N -0.170 120.033 120.200 0.005 0.000 2.077 231 E HA -0.140 4.242 4.350 0.054 0.000 0.193 231 E C 2.158 178.766 176.600 0.014 0.000 0.989 231 E CA 1.636 58.041 56.400 0.009 0.000 0.800 231 E CB -1.180 28.526 29.700 0.010 0.000 0.746 231 E HN 0.170 nan 8.360 nan 0.000 0.452 232 A N 0.267 123.099 122.820 0.020 0.000 1.897 232 A HA -0.165 4.187 4.320 0.054 0.000 0.215 232 A C 2.296 179.886 177.584 0.010 0.000 1.181 232 A CA 1.649 53.698 52.037 0.020 0.000 0.620 232 A CB -0.811 18.212 19.000 0.039 0.000 0.821 232 A HN 0.250 nan 8.150 nan 0.000 0.443 233 S N -0.101 115.612 115.700 0.022 0.000 2.370 233 S HA -0.125 4.378 4.470 0.054 0.000 0.226 233 S C 2.187 176.803 174.600 0.026 0.000 1.033 233 S CA 1.723 59.937 58.200 0.024 0.000 1.011 233 S CB -0.525 62.694 63.200 0.031 0.000 0.852 233 S HN 0.869 nan 8.310 nan 0.000 0.457 234 A N 1.191 124.037 122.820 0.043 0.000 1.948 234 A HA -0.168 4.184 4.320 0.054 0.000 0.220 234 A C 2.119 179.768 177.584 0.109 0.000 1.177 234 A CA 1.869 53.984 52.037 0.129 0.000 0.636 234 A CB -0.588 18.509 19.000 0.163 0.000 0.815 234 A HN 0.673 nan 8.150 nan 0.000 0.449 235 K N -0.682 119.734 120.400 0.027 0.000 2.097 235 K HA -0.094 4.259 4.320 0.054 0.000 0.205 235 K C 1.582 178.168 176.600 -0.025 0.000 1.050 235 K CA 1.294 57.574 56.287 -0.011 0.000 0.938 235 K CB -0.172 32.308 32.500 -0.033 0.000 0.718 235 K HN 0.365 nan 8.250 nan 0.000 0.442 236 N N 0.955 119.623 118.700 -0.053 0.000 2.300 236 N HA 0.006 4.778 4.740 0.054 0.000 0.179 236 N C 1.738 177.278 175.510 0.051 0.000 1.016 236 N CA 0.738 53.740 53.050 -0.080 0.000 0.876 236 N CB 0.026 38.402 38.487 -0.185 0.000 0.979 236 N HN 0.130 nan 8.380 nan 0.000 0.432 237 I N 0.713 121.336 120.570 0.088 0.000 2.142 237 I HA -0.243 3.959 4.170 0.054 0.000 0.240 237 I C 2.575 178.803 176.117 0.185 0.000 1.078 237 I CA 0.940 62.324 61.300 0.140 0.000 1.343 237 I CB -0.149 37.850 38.000 -0.002 0.000 1.046 237 I HN 0.090 nan 8.210 nan 0.000 0.405 238 R N 0.776 121.380 120.500 0.173 0.000 2.083 238 R HA -0.262 4.110 4.340 0.054 0.000 0.237 238 R C 2.371 178.742 176.300 0.118 0.000 1.137 238 R CA 1.995 58.187 56.100 0.152 0.000 0.951 238 R CB -0.256 30.063 30.300 0.032 0.000 0.851 238 R HN 0.389 nan 8.270 nan 0.000 0.434 239 Q N -0.281 119.566 119.800 0.079 0.000 2.046 239 Q HA -0.141 4.231 4.340 0.054 0.000 0.200 239 Q C 1.873 177.925 176.000 0.087 0.000 0.975 239 Q CA 2.283 58.122 55.803 0.060 0.000 0.836 239 Q CB -0.035 28.715 28.738 0.020 0.000 0.896 239 Q HN 0.555 nan 8.270 nan 0.000 0.428 240 T N -1.470 113.153 114.554 0.116 0.000 2.746 240 T HA -0.138 4.244 4.350 0.054 0.000 0.267 240 T C 1.544 176.252 174.700 0.013 0.000 1.039 240 T CA 1.232 63.401 62.100 0.116 0.000 1.142 240 T CB -0.636 68.351 68.868 0.198 0.000 0.866 240 T HN 0.234 nan 8.240 nan 0.000 0.444 241 F N 2.338 122.198 119.950 -0.150 0.000 2.186 241 F HA 0.084 4.641 4.527 0.049 0.000 0.299 241 F C 2.331 178.094 175.800 -0.062 0.000 1.090 241 F CA 1.069 58.937 58.000 -0.220 0.000 1.307 241 F CB -0.681 38.192 39.000 -0.211 0.000 1.019 241 F HN 0.219 nan 8.300 nan 0.000 0.489 242 D N 0.149 120.636 120.400 0.146 0.000 2.144 242 D HA -0.155 4.517 4.640 0.054 0.000 0.199 242 D C 1.963 178.302 176.300 0.065 0.000 0.984 242 D CA 1.194 55.252 54.000 0.097 0.000 0.834 242 D CB -0.067 40.777 40.800 0.074 0.000 0.955 242 D HN 0.126 nan 8.370 nan 0.000 0.465 243 R N -0.740 119.791 120.500 0.050 0.000 2.323 243 R HA 0.143 4.516 4.340 0.054 0.000 0.198 243 R C 1.011 177.322 176.300 0.018 0.000 0.988 243 R CA 0.363 56.479 56.100 0.025 0.000 1.041 243 R CB 0.094 30.411 30.300 0.029 0.000 0.926 243 R HN 0.349 nan 8.270 nan 0.000 0.476 244 M N -0.658 118.973 119.600 0.051 0.000 2.496 244 M HA 0.264 4.777 4.480 0.054 0.000 0.330 244 M C 0.277 176.685 176.300 0.179 0.000 1.133 244 M CA -0.127 55.259 55.300 0.144 0.000 0.964 244 M CB 1.285 33.958 32.600 0.121 0.000 1.401 244 M HN 0.131 nan 8.290 nan 0.000 0.520 245 A N 0.461 123.355 122.820 0.124 0.000 2.952 245 A HA -0.148 4.204 4.320 0.054 0.000 0.252 245 A C 0.075 177.702 177.584 0.071 0.000 1.323 245 A CA 0.877 52.977 52.037 0.104 0.000 0.957 245 A CB -1.485 17.591 19.000 0.126 0.000 1.130 245 A HN 0.474 nan 8.150 nan 0.000 0.799 246 M N 0.725 120.384 119.600 0.099 0.000 2.364 246 M HA 0.433 4.946 4.480 0.054 0.000 0.334 246 M C 0.428 176.810 176.300 0.136 0.000 1.107 246 M CA -0.650 54.727 55.300 0.128 0.000 0.988 246 M CB 1.248 33.989 32.600 0.234 0.000 1.673 246 M HN 0.675 nan 8.290 nan 0.000 0.441 247 N N 0.908 119.674 118.700 0.110 0.000 2.566 247 N HA 0.247 5.019 4.740 0.054 0.000 0.299 247 N C 0.139 175.708 175.510 0.098 0.000 1.277 247 N CA -0.357 52.747 53.050 0.091 0.000 0.965 247 N CB 0.322 38.854 38.487 0.074 0.000 1.142 247 N HN 0.367 nan 8.380 nan 0.000 0.596 248 D N -0.438 120.003 120.400 0.068 0.000 2.092 248 D HA -0.123 4.550 4.640 0.054 0.000 0.193 248 D C 1.355 177.734 176.300 0.131 0.000 0.994 248 D CA 1.635 55.696 54.000 0.101 0.000 0.828 248 D CB -0.046 40.730 40.800 -0.040 0.000 0.963 248 D HN 0.543 nan 8.370 nan 0.000 0.450 249 K N 0.208 120.669 120.400 0.103 0.000 2.097 249 K HA -0.104 4.249 4.320 0.054 0.000 0.205 249 K C 2.056 178.809 176.600 0.255 0.000 1.050 249 K CA 0.918 57.305 56.287 0.167 0.000 0.938 249 K CB 0.012 32.627 32.500 0.191 0.000 0.718 249 K HN 0.250 nan 8.250 nan 0.000 0.442 250 E N -0.306 120.001 120.200 0.178 0.000 2.072 250 E HA -0.120 4.262 4.350 0.054 0.000 0.191 250 E C 1.963 178.634 176.600 0.117 0.000 0.985 250 E CA 1.378 57.875 56.400 0.162 0.000 0.801 250 E CB -0.006 29.766 29.700 0.120 0.000 0.750 250 E HN 0.217 nan 8.360 nan 0.000 0.452 251 T N 1.035 115.607 114.554 0.031 0.000 2.674 251 T HA -0.173 4.209 4.350 0.054 0.000 0.265 251 T C 2.055 176.557 174.700 -0.330 0.000 1.039 251 T CA 1.351 63.284 62.100 -0.277 0.000 1.150 251 T CB -0.304 68.306 68.868 -0.430 0.000 0.864 251 T HN 0.252 nan 8.240 nan 0.000 0.427 252 A N 1.424 124.146 122.820 -0.163 0.000 1.902 252 A HA 0.121 4.473 4.320 0.054 0.000 0.217 252 A C 2.627 180.276 177.584 0.109 0.000 1.181 252 A CA 1.924 53.879 52.037 -0.136 0.000 0.623 252 A CB -1.098 17.869 19.000 -0.053 0.000 0.818 252 A HN 0.515 nan 8.150 nan 0.000 0.443 253 A N -0.405 122.633 122.820 0.364 0.000 1.898 253 A HA -0.001 4.352 4.320 0.054 0.000 0.216 253 A C 2.186 179.923 177.584 0.255 0.000 1.181 253 A CA 1.426 53.717 52.037 0.424 0.000 0.620 253 A CB -0.547 18.674 19.000 0.368 0.000 0.819 253 A HN 0.468 nan 8.150 nan 0.000 0.442 254 L N -0.652 120.670 121.223 0.166 0.000 2.017 254 L HA -0.172 4.200 4.340 0.054 0.000 0.208 254 L C 2.525 179.263 176.870 -0.219 0.000 1.073 254 L CA 1.367 56.291 54.840 0.139 0.000 0.745 254 L CB -0.481 41.636 42.059 0.097 0.000 0.894 254 L HN 0.380 nan 8.230 nan 0.000 0.432 255 I N -0.296 120.024 120.570 -0.417 0.000 2.179 255 I HA -0.274 3.928 4.170 0.054 0.000 0.242 255 I C 2.777 178.322 176.117 -0.953 0.000 1.088 255 I CA 1.237 62.098 61.300 -0.732 0.000 1.357 255 I CB -0.454 37.151 38.000 -0.658 0.000 1.051 255 I HN 0.195 nan 8.210 nan 0.000 0.409 256 A N 0.824 123.221 122.820 -0.706 0.000 1.930 256 A HA -0.089 4.263 4.320 0.054 0.000 0.217 256 A C 2.416 179.543 177.584 -0.760 0.000 1.175 256 A CA 1.806 53.272 52.037 -0.950 0.000 0.627 256 A CB -1.366 17.417 19.000 -0.361 0.000 0.815 256 A HN 0.464 nan 8.150 nan 0.000 0.443 257 G N -0.543 107.926 108.800 -0.553 0.000 2.404 257 G HA2 0.053 4.046 3.960 0.054 0.000 0.215 257 G HA3 0.053 4.046 3.960 0.054 0.000 0.215 257 G C 1.538 175.893 174.900 -0.909 0.000 1.174 257 G CA 1.225 45.654 45.100 -1.118 0.000 0.780 257 G HN 0.678 nan 8.290 nan 0.000 0.537 258 G N -0.156 108.260 108.800 -0.640 0.000 2.421 258 G HA2 -0.174 3.818 3.960 0.054 0.000 0.216 258 G HA3 -0.174 3.818 3.960 0.054 0.000 0.216 258 G C 1.443 176.129 174.900 -0.357 0.000 1.171 258 G CA 0.811 45.723 45.100 -0.313 0.000 0.775 258 G HN 0.653 nan 8.290 nan 0.000 0.543 259 H N -0.253 118.235 119.070 -0.970 0.000 2.553 259 H HA 0.092 4.682 4.556 0.057 0.000 0.269 259 H C 2.050 176.781 175.328 -0.996 0.000 1.011 259 H CA 0.269 55.415 56.048 -1.504 0.000 1.150 259 H CB 0.356 28.776 29.762 -2.237 0.000 1.339 259 H HN 0.243 nan 8.280 nan 0.000 0.604 260 T N 0.297 114.409 114.554 -0.736 0.000 3.055 260 T HA -0.014 4.368 4.350 0.054 0.000 0.265 260 T C 0.061 174.348 174.700 -0.688 0.000 1.111 260 T CA 0.745 62.397 62.100 -0.747 0.000 1.118 260 T CB 0.010 68.169 68.868 -1.182 0.000 0.909 260 T HN 0.090 nan 8.240 nan 0.000 0.501 261 F N 0.147 120.002 119.950 -0.157 0.000 2.522 261 F HA 0.582 5.139 4.527 0.051 0.000 0.324 261 F C 1.240 177.127 175.800 0.145 0.000 1.077 261 F CA -0.636 57.347 58.000 -0.029 0.000 0.944 261 F CB 1.280 40.263 39.000 -0.028 0.000 1.175 261 F HN 0.205 nan 8.300 nan 0.000 0.468 262 G N 2.339 111.354 108.800 0.357 0.000 2.601 262 G HA2 -0.112 3.881 3.960 0.054 0.000 0.252 262 G HA3 -0.112 3.881 3.960 0.054 0.000 0.252 262 G C -1.069 174.091 174.900 0.435 0.000 1.294 262 G CA 0.036 45.378 45.100 0.402 0.000 0.912 262 G HN 1.032 nan 8.290 nan 0.000 0.574 263 K N -2.316 118.269 120.400 0.308 0.000 2.533 263 K HA 0.771 5.123 4.320 0.054 0.000 0.284 263 K C -0.409 175.984 176.600 -0.345 0.000 1.025 263 K CA -0.630 55.564 56.287 -0.154 0.000 0.900 263 K CB 1.813 34.227 32.500 -0.143 0.000 1.519 263 K HN 1.724 nan 8.250 nan 0.000 0.432 264 V N -1.165 118.394 119.914 -0.591 0.000 2.630 264 V HA 0.571 4.723 4.120 0.054 0.000 0.305 264 V C -1.246 174.590 176.094 -0.430 0.000 1.046 264 V CA -0.576 61.508 62.300 -0.361 0.000 0.934 264 V CB 0.883 32.507 31.823 -0.332 0.000 1.003 264 V HN 0.807 nan 8.190 nan 0.000 0.451 265 H N 2.518 121.577 119.070 -0.019 0.000 2.511 265 H HA 0.808 5.396 4.556 0.053 0.000 0.328 265 H C 0.555 175.879 175.328 -0.008 0.000 1.044 265 H CA 0.073 56.117 56.048 -0.007 0.000 1.212 265 H CB 1.819 31.603 29.762 0.037 0.000 1.428 265 H HN 1.177 nan 8.280 nan 0.000 0.483 266 G N 1.331 110.166 108.800 0.059 0.000 4.775 266 G HA2 0.359 4.352 3.960 0.054 0.000 0.222 266 G HA3 0.359 4.352 3.960 0.054 0.000 0.222 266 G C 0.917 175.822 174.900 0.008 0.000 0.974 266 G CA 0.087 45.208 45.100 0.034 0.000 0.614 266 G HN 0.758 nan 8.290 nan 0.000 0.427 267 A N -0.137 122.692 122.820 0.015 0.000 1.978 267 A HA 0.186 4.538 4.320 0.054 0.000 0.220 267 A C 1.085 178.664 177.584 -0.009 0.000 1.170 267 A CA 1.964 53.997 52.037 -0.007 0.000 0.636 267 A CB 0.104 19.097 19.000 -0.012 0.000 0.810 267 A HN 0.456 nan 8.150 nan 0.000 0.448 268 D N -2.445 117.957 120.400 0.003 0.000 2.677 268 D HA 0.169 4.841 4.640 0.054 0.000 0.298 268 D C -1.768 174.538 176.300 0.009 0.000 1.250 268 D CA -0.667 53.333 54.000 -0.000 0.000 0.888 268 D CB 0.851 41.652 40.800 0.003 0.000 1.397 268 D HN -0.001 nan 8.370 nan 0.000 0.461 269 D N 0.454 120.857 120.400 0.005 0.000 2.417 269 D HA 0.105 4.777 4.640 0.054 0.000 0.250 269 D C -1.665 174.656 176.300 0.034 0.000 1.166 269 D CA -1.190 52.817 54.000 0.011 0.000 0.881 269 D CB 1.706 42.507 40.800 0.002 0.000 1.164 269 D HN 0.010 nan 8.370 nan 0.000 0.467 270 P HA -0.098 nan 4.420 nan 0.000 0.216 270 P C 0.871 178.221 177.300 0.084 0.000 1.153 270 P CA 1.067 64.209 63.100 0.071 0.000 0.848 270 P CB 0.267 32.008 31.700 0.068 0.000 0.787 271 E N -0.202 120.039 120.200 0.069 0.000 2.160 271 E HA -0.211 4.171 4.350 0.054 0.000 0.195 271 E C 1.486 178.120 176.600 0.057 0.000 0.991 271 E CA 1.110 57.550 56.400 0.068 0.000 0.810 271 E CB -0.305 29.426 29.700 0.052 0.000 0.742 271 E HN 0.507 nan 8.360 nan 0.000 0.466 272 E N -0.547 119.680 120.200 0.046 0.000 2.473 272 E HA 0.104 4.486 4.350 0.054 0.000 0.204 272 E C 1.092 177.717 176.600 0.042 0.000 0.994 272 E CA -0.067 56.355 56.400 0.037 0.000 0.945 272 E CB 0.454 30.168 29.700 0.023 0.000 0.990 272 E HN 0.147 nan 8.360 nan 0.000 0.493 273 N N 0.240 118.973 118.700 0.054 0.000 2.197 273 N HA 0.146 4.918 4.740 0.054 0.000 0.201 273 N C -0.126 175.436 175.510 0.087 0.000 1.148 273 N CA 0.196 53.282 53.050 0.059 0.000 0.883 273 N CB 1.491 40.007 38.487 0.049 0.000 1.012 273 N HN 0.056 nan 8.380 nan 0.000 0.507 274 L N 0.720 122.011 121.223 0.113 0.000 2.317 274 L HA 0.508 4.880 4.340 0.054 0.000 0.281 274 L C 1.086 178.037 176.870 0.134 0.000 1.024 274 L CA -0.857 54.082 54.840 0.165 0.000 0.810 274 L CB 1.803 44.014 42.059 0.254 0.000 1.240 274 L HN -0.058 nan 8.230 nan 0.000 0.427 275 G N 2.396 111.262 108.800 0.110 0.000 2.611 275 G HA2 0.356 4.349 3.960 0.054 0.000 0.273 275 G HA3 0.356 4.349 3.960 0.054 0.000 0.273 275 G C -2.577 172.306 174.900 -0.029 0.000 1.305 275 G CA -0.992 44.130 45.100 0.035 0.000 1.010 275 G HN 0.353 nan 8.290 nan 0.000 0.509 276 P HA 0.081 nan 4.420 nan 0.000 0.267 276 P C 0.305 177.342 177.300 -0.438 0.000 1.200 276 P CA -0.139 62.853 63.100 -0.180 0.000 0.772 276 P CB 0.521 32.140 31.700 -0.135 0.000 0.855 277 E N 4.612 124.464 120.200 -0.580 0.000 2.442 277 E HA -0.038 4.345 4.350 0.054 0.000 0.260 277 E C -1.893 174.232 176.600 -0.791 0.000 1.148 277 E CA -1.147 54.572 56.400 -1.135 0.000 0.976 277 E CB -0.977 28.338 29.700 -0.641 0.000 0.967 277 E HN 0.231 nan 8.360 nan 0.000 0.454 278 P HA -0.216 nan 4.420 nan 0.000 0.217 278 P C 1.091 178.217 177.300 -0.290 0.000 1.162 278 P CA 1.632 64.440 63.100 -0.486 0.000 0.901 278 P CB 0.128 31.575 31.700 -0.422 0.000 0.793 279 E N -1.139 118.921 120.200 -0.233 0.000 2.265 279 E HA -0.091 4.291 4.350 0.054 0.000 0.196 279 E C 1.703 178.238 176.600 -0.109 0.000 0.996 279 E CA 1.261 57.585 56.400 -0.126 0.000 0.832 279 E CB -0.537 29.128 29.700 -0.059 0.000 0.756 279 E HN 0.233 nan 8.360 nan 0.000 0.491 280 A N 0.180 122.913 122.820 -0.144 0.000 2.390 280 A HA 0.469 4.822 4.320 0.054 0.000 0.232 280 A C 1.051 178.562 177.584 -0.122 0.000 1.233 280 A CA 0.317 52.289 52.037 -0.109 0.000 0.907 280 A CB 0.262 19.209 19.000 -0.088 0.000 0.967 280 A HN 0.123 nan 8.150 nan 0.000 0.512 281 A N 0.951 123.674 122.820 -0.162 0.000 2.351 281 A HA 0.597 4.949 4.320 0.054 0.000 0.257 281 A C -2.363 175.161 177.584 -0.100 0.000 1.087 281 A CA -1.206 50.745 52.037 -0.143 0.000 0.798 281 A CB -0.415 18.474 19.000 -0.186 0.000 1.033 281 A HN 0.217 nan 8.150 nan 0.000 0.488 282 P HA 0.040 nan 4.420 nan 0.000 0.268 282 P C 1.016 178.279 177.300 -0.062 0.000 1.208 282 P CA -0.149 62.916 63.100 -0.059 0.000 0.777 282 P CB 0.423 32.095 31.700 -0.046 0.000 0.875 283 I N 2.189 122.728 120.570 -0.051 0.000 2.335 283 I HA -0.256 3.947 4.170 0.054 0.000 0.251 283 I C 1.959 178.045 176.117 -0.052 0.000 1.129 283 I CA 1.461 62.731 61.300 -0.050 0.000 1.402 283 I CB -0.071 37.907 38.000 -0.038 0.000 1.069 283 I HN 0.465 nan 8.210 nan 0.000 0.424 284 E N 0.292 120.464 120.200 -0.046 0.000 2.268 284 E HA -0.295 4.087 4.350 0.054 0.000 0.195 284 E C 1.665 178.230 176.600 -0.059 0.000 0.995 284 E CA 0.985 57.358 56.400 -0.046 0.000 0.836 284 E CB -0.554 29.126 29.700 -0.034 0.000 0.763 284 E HN 0.659 nan 8.360 nan 0.000 0.491 285 Q N 0.152 119.912 119.800 -0.067 0.000 2.488 285 Q HA -0.042 4.330 4.340 0.054 0.000 0.211 285 Q C -0.108 175.828 176.000 -0.106 0.000 0.967 285 Q CA 0.192 55.946 55.803 -0.082 0.000 0.926 285 Q CB 0.074 28.760 28.738 -0.086 0.000 0.992 285 Q HN 0.190 nan 8.270 nan 0.000 0.506 286 Q N -1.200 118.541 119.800 -0.098 0.000 2.443 286 Q HA -0.264 4.108 4.340 0.054 0.000 0.337 286 Q C 0.692 176.615 176.000 -0.128 0.000 1.401 286 Q CA 1.100 56.840 55.803 -0.105 0.000 0.943 286 Q CB -2.054 26.618 28.738 -0.110 0.000 1.177 286 Q HN 0.728 nan 8.270 nan 0.000 0.394 287 G N -1.544 107.178 108.800 -0.131 0.000 2.217 287 G HA2 -0.310 3.682 3.960 0.054 0.000 0.246 287 G HA3 -0.310 3.682 3.960 0.054 0.000 0.246 287 G C 0.289 175.083 174.900 -0.176 0.000 0.990 287 G CA 0.284 45.291 45.100 -0.155 0.000 0.627 287 G HN 0.339 nan 8.290 nan 0.000 0.522 288 L N 0.422 121.546 121.223 -0.165 0.000 2.439 288 L HA 0.723 5.096 4.340 0.054 0.000 0.259 288 L C 1.120 177.882 176.870 -0.181 0.000 1.129 288 L CA -0.050 54.700 54.840 -0.150 0.000 0.803 288 L CB 1.288 43.271 42.059 -0.126 0.000 1.161 288 L HN 0.363 nan 8.230 nan 0.000 0.462 289 G N -2.037 106.659 108.800 -0.174 0.000 2.827 289 G HA2 0.376 4.368 3.960 0.054 0.000 0.296 289 G HA3 0.376 4.368 3.960 0.054 0.000 0.296 289 G C -1.276 173.585 174.900 -0.065 0.000 1.362 289 G CA -0.512 44.383 45.100 -0.340 0.000 0.809 289 G HN 0.727 nan 8.290 nan 0.000 0.522 290 W N -0.107 121.167 121.300 -0.044 0.000 5.271 290 W HA -0.176 4.516 4.660 0.055 0.000 0.364 290 W C 0.746 177.273 176.519 0.014 0.000 1.342 290 W CA 0.901 58.236 57.345 -0.017 0.000 0.899 290 W CB -1.439 28.001 29.460 -0.034 0.000 2.450 290 W HN 0.785 nan 8.180 nan 0.000 1.508 291 Q N 1.558 121.439 119.800 0.136 0.000 2.247 291 Q HA -0.022 4.350 4.340 0.054 0.000 0.288 291 Q C 0.876 176.963 176.000 0.145 0.000 1.079 291 Q CA 0.239 56.120 55.803 0.131 0.000 0.932 291 Q CB 0.342 29.118 28.738 0.064 0.000 1.133 291 Q HN 0.057 nan 8.270 nan 0.000 0.377 292 N N 3.901 122.705 118.700 0.172 0.000 2.452 292 N HA -0.053 4.719 4.740 0.054 0.000 0.266 292 N C 0.090 175.654 175.510 0.090 0.000 1.209 292 N CA 0.484 53.616 53.050 0.137 0.000 0.929 292 N CB 0.738 39.307 38.487 0.136 0.000 1.063 292 N HN 0.592 nan 8.380 nan 0.000 0.472 293 K N 2.058 122.502 120.400 0.072 0.000 2.283 293 K HA -0.093 4.260 4.320 0.054 0.000 0.202 293 K C 0.076 176.698 176.600 0.037 0.000 1.048 293 K CA 0.855 57.172 56.287 0.049 0.000 0.948 293 K CB 0.052 32.577 32.500 0.042 0.000 0.742 293 K HN 0.572 nan 8.250 nan 0.000 0.458 303 I N 1.149 121.786 120.570 0.112 0.000 2.499 303 I HA 0.553 4.756 4.170 0.054 0.000 0.288 303 I C -0.156 176.025 176.117 0.106 0.000 1.048 303 I CA -0.197 61.172 61.300 0.114 0.000 1.062 303 I CB 2.389 40.440 38.000 0.086 0.000 1.238 303 I HN 0.789 nan 8.210 nan 0.000 0.426 304 T N 1.144 115.754 114.554 0.092 0.000 3.426 304 T HA -0.020 4.363 4.350 0.054 0.000 0.195 304 T C 1.544 176.231 174.700 -0.022 0.000 0.963 304 T CA 0.735 62.828 62.100 -0.010 0.000 1.154 304 T CB -0.072 68.811 68.868 0.025 0.000 1.377 304 T HN 0.636 nan 8.240 nan 0.000 0.342 305 S N 0.702 116.431 115.700 0.048 0.000 2.436 305 S HA 0.331 4.833 4.470 0.054 0.000 0.228 305 S C 1.900 176.534 174.600 0.056 0.000 1.014 305 S CA 1.197 59.431 58.200 0.055 0.000 0.950 305 S CB -0.256 63.006 63.200 0.103 0.000 0.784 305 S HN 1.174 nan 8.310 nan 0.000 0.504 306 G N 0.739 109.571 108.800 0.053 0.000 2.179 306 G HA2 -0.166 3.826 3.960 0.054 0.000 0.220 306 G HA3 -0.166 3.826 3.960 0.054 0.000 0.220 306 G C -0.039 174.876 174.900 0.025 0.000 0.990 306 G CA 0.027 45.149 45.100 0.038 0.000 0.646 306 G HN 0.570 nan 8.290 nan 0.000 0.517 307 I N 0.604 121.192 120.570 0.028 0.000 2.460 307 I HA 0.664 4.866 4.170 0.054 0.000 0.298 307 I C -0.048 176.037 176.117 -0.053 0.000 0.989 307 I CA -0.958 60.343 61.300 0.002 0.000 1.173 307 I CB 1.863 39.878 38.000 0.025 0.000 1.338 307 I HN 0.088 nan 8.210 nan 0.000 0.456 308 E N 3.794 123.945 120.200 -0.081 0.000 2.224 308 E HA 0.761 5.143 4.350 0.054 0.000 0.265 308 E C -0.596 175.900 176.600 -0.172 0.000 0.878 308 E CA -0.411 55.915 56.400 -0.124 0.000 0.759 308 E CB 1.860 31.515 29.700 -0.076 0.000 1.164 308 E HN 0.857 nan 8.360 nan 0.000 0.414 309 G N 3.919 112.570 108.800 -0.248 0.000 2.335 309 G HA2 0.102 4.094 3.960 0.054 0.000 0.592 309 G HA3 0.102 4.094 3.960 0.054 0.000 0.592 309 G C -3.104 171.574 174.900 -0.369 0.000 1.442 309 G CA -0.582 44.374 45.100 -0.241 0.000 0.976 309 G HN 0.468 nan 8.290 nan 0.000 0.652 310 P HA 0.307 nan 4.420 nan 0.000 0.282 310 P C 0.350 177.545 177.300 -0.175 0.000 1.259 310 P CA -0.606 62.398 63.100 -0.160 0.000 0.826 310 P CB 1.311 33.031 31.700 0.033 0.000 1.064 311 W N 0.388 121.678 121.300 -0.018 0.000 2.640 311 W HA 0.009 4.705 4.660 0.060 0.000 0.268 311 W C 1.080 177.590 176.519 -0.014 0.000 1.263 311 W CA 0.857 58.197 57.345 -0.009 0.000 1.344 311 W CB -0.125 29.381 29.460 0.077 0.000 1.093 311 W HN 0.345 nan 8.180 nan 0.000 0.603 312 T N -3.552 111.121 114.554 0.198 0.000 2.907 312 T HA 0.236 4.618 4.350 0.054 0.000 0.290 312 T C 0.511 175.207 174.700 -0.006 0.000 1.066 312 T CA -0.582 61.555 62.100 0.063 0.000 1.012 312 T CB 2.692 71.558 68.868 -0.003 0.000 1.184 312 T HN -0.063 nan 8.240 nan 0.000 0.522 313 Q N 0.142 119.923 119.800 -0.032 0.000 2.172 313 Q HA 0.065 4.437 4.340 0.054 0.000 0.200 313 Q C 0.123 176.078 176.000 -0.075 0.000 0.964 313 Q CA 0.834 56.611 55.803 -0.043 0.000 0.855 313 Q CB 0.083 28.799 28.738 -0.037 0.000 0.918 313 Q HN 0.657 nan 8.270 nan 0.000 0.444 314 S N 1.321 116.958 115.700 -0.104 0.000 2.130 314 S HA 0.260 4.762 4.470 0.054 0.000 0.165 314 S C -2.325 172.163 174.600 -0.188 0.000 1.677 314 S CA -1.020 57.098 58.200 -0.136 0.000 1.227 314 S CB 1.559 64.706 63.200 -0.088 0.000 1.115 314 S HN 0.217 nan 8.310 nan 0.000 0.452 315 P HA -0.091 nan 4.420 nan 0.000 0.223 315 P C 1.215 178.424 177.300 -0.152 0.000 1.144 315 P CA 1.100 64.013 63.100 -0.311 0.000 0.783 315 P CB -0.101 31.166 31.700 -0.721 0.000 0.771 316 T N -4.773 109.679 114.554 -0.169 0.000 3.215 316 T HA 0.292 4.674 4.350 0.054 0.000 0.271 316 T C 0.108 174.838 174.700 0.050 0.000 1.012 316 T CA -0.399 61.659 62.100 -0.070 0.000 0.899 316 T CB -0.280 68.466 68.868 -0.204 0.000 1.089 316 T HN 0.002 nan 8.240 nan 0.000 0.552 317 E N 0.809 121.070 120.200 0.101 0.000 2.256 317 E HA 0.248 4.630 4.350 0.054 0.000 0.268 317 E C -1.203 175.450 176.600 0.088 0.000 0.877 317 E CA -0.971 55.510 56.400 0.136 0.000 0.757 317 E CB 1.737 31.458 29.700 0.035 0.000 1.183 317 E HN 0.429 nan 8.360 nan 0.000 0.418 318 W N 5.301 126.653 121.300 0.086 0.000 2.304 318 W HA 0.127 4.819 4.660 0.054 0.000 0.313 318 W C -1.019 175.452 176.519 -0.080 0.000 1.323 318 W CA 0.589 57.875 57.345 -0.099 0.000 1.223 318 W CB 0.491 30.046 29.460 0.159 0.000 1.237 318 W HN 0.771 nan 8.180 nan 0.000 0.535 319 D N 3.642 123.474 120.400 -0.946 0.000 3.145 319 D HA 0.166 4.838 4.640 0.054 0.000 0.345 319 D C 0.017 175.905 176.300 -0.686 0.000 1.391 319 D CA -0.548 53.087 54.000 -0.609 0.000 0.930 319 D CB 0.308 40.943 40.800 -0.274 0.000 1.451 319 D HN 0.139 nan 8.370 nan 0.000 0.555 320 M N 0.665 120.065 119.600 -0.332 0.000 2.475 320 M HA 0.317 4.829 4.480 0.054 0.000 0.261 320 M C 1.595 177.782 176.300 -0.189 0.000 1.177 320 M CA 0.198 55.360 55.300 -0.231 0.000 0.979 320 M CB -0.090 32.447 32.600 -0.105 0.000 1.482 320 M HN 0.713 nan 8.290 nan 0.000 0.484 321 G N 0.018 108.693 108.800 -0.209 0.000 2.469 321 G HA2 -0.294 3.699 3.960 0.054 0.000 0.219 321 G HA3 -0.294 3.699 3.960 0.054 0.000 0.219 321 G C 1.398 176.255 174.900 -0.071 0.000 1.150 321 G CA 0.800 45.828 45.100 -0.120 0.000 0.763 321 G HN 0.480 nan 8.290 nan 0.000 0.561 322 Y N 1.109 121.259 120.300 -0.251 0.000 2.133 322 Y HA -0.003 4.579 4.550 0.054 0.000 0.287 322 Y C 2.638 178.413 175.900 -0.209 0.000 1.134 322 Y CA 1.425 59.392 58.100 -0.222 0.000 1.133 322 Y CB -0.152 38.098 38.460 -0.349 0.000 0.987 322 Y HN 0.161 nan 8.280 nan 0.000 0.502 323 I N 0.501 120.981 120.570 -0.151 0.000 2.226 323 I HA -0.336 3.866 4.170 0.054 0.000 0.245 323 I C 1.804 177.811 176.117 -0.182 0.000 1.100 323 I CA 1.373 62.527 61.300 -0.243 0.000 1.374 323 I CB -0.544 37.272 38.000 -0.307 0.000 1.057 323 I HN 0.343 nan 8.210 nan 0.000 0.413 324 N N 1.121 119.757 118.700 -0.106 0.000 2.106 324 N HA -0.146 4.627 4.740 0.054 0.000 0.188 324 N C 1.604 177.180 175.510 0.109 0.000 1.029 324 N CA 1.205 54.247 53.050 -0.013 0.000 0.848 324 N CB -0.620 37.873 38.487 0.012 0.000 1.007 324 N HN 0.301 nan 8.380 nan 0.000 0.423 325 N N 0.961 119.727 118.700 0.109 0.000 2.166 325 N HA -0.106 4.666 4.740 0.054 0.000 0.186 325 N C 1.739 177.501 175.510 0.421 0.000 1.019 325 N CA 0.399 53.627 53.050 0.298 0.000 0.856 325 N CB -0.474 38.119 38.487 0.176 0.000 0.993 325 N HN 0.185 nan 8.380 nan 0.000 0.426 326 L N 0.719 121.924 121.223 -0.030 0.000 2.005 326 L HA 0.008 4.380 4.340 0.054 0.000 0.207 326 L C 1.868 178.785 176.870 0.079 0.000 1.072 326 L CA 1.488 56.221 54.840 -0.179 0.000 0.744 326 L CB -0.539 41.166 42.059 -0.590 0.000 0.895 326 L HN 0.106 nan 8.230 nan 0.000 0.433 327 L N -0.912 120.310 121.223 -0.001 0.000 2.209 327 L HA -0.044 4.328 4.340 0.054 0.000 0.207 327 L C 1.502 178.378 176.870 0.009 0.000 1.094 327 L CA 0.595 55.434 54.840 -0.002 0.000 0.790 327 L CB -0.611 41.409 42.059 -0.065 0.000 0.932 327 L HN 0.235 nan 8.230 nan 0.000 0.447 328 D N -1.194 119.205 120.400 -0.001 0.000 2.340 328 D HA 0.048 4.720 4.640 0.054 0.000 0.220 328 D C -0.242 175.742 176.300 -0.526 0.000 1.039 328 D CA 0.666 54.520 54.000 -0.244 0.000 0.866 328 D CB 0.218 40.817 40.800 -0.336 0.000 0.913 328 D HN 0.186 nan 8.370 nan 0.000 0.523 329 Y N 0.233 120.554 120.300 0.036 0.000 2.576 329 Y HA 0.331 4.912 4.550 0.053 0.000 0.346 329 Y C 0.392 176.217 175.900 -0.124 0.000 1.018 329 Y CA -1.156 56.876 58.100 -0.113 0.000 1.050 329 Y CB 1.424 39.703 38.460 -0.301 0.000 1.280 329 Y HN -0.356 nan 8.280 nan 0.000 0.474 330 E N 1.193 121.347 120.200 -0.076 0.000 2.227 330 E HA 0.218 4.600 4.350 0.054 0.000 0.282 330 E C -1.610 174.876 176.600 -0.191 0.000 1.015 330 E CA -0.466 55.922 56.400 -0.021 0.000 0.823 330 E CB 1.046 30.747 29.700 0.002 0.000 1.081 330 E HN 0.434 nan 8.360 nan 0.000 0.396 331 W N 1.491 122.891 121.300 0.166 0.000 2.689 331 W HA 0.369 5.062 4.660 0.055 0.000 0.340 331 W C 0.037 176.804 176.519 0.413 0.000 1.060 331 W CA -0.516 56.992 57.345 0.271 0.000 1.218 331 W CB 1.325 30.949 29.460 0.272 0.000 1.410 331 W HN 0.321 nan 8.180 nan 0.000 0.528 332 E N 3.046 123.576 120.200 0.549 0.000 2.293 332 E HA 0.328 4.710 4.350 0.054 0.000 0.270 332 E C -2.441 174.082 176.600 -0.127 0.000 0.879 332 E CA -2.091 54.439 56.400 0.218 0.000 0.756 332 E CB 2.800 32.544 29.700 0.074 0.000 1.208 332 E HN -0.014 nan 8.360 nan 0.000 0.428 333 P HA 0.054 nan 4.420 nan 0.000 0.274 333 P C -1.022 176.132 177.300 -0.243 0.000 1.231 333 P CA 0.081 62.539 63.100 -1.070 0.000 0.790 333 P CB 1.007 31.861 31.700 -1.410 0.000 0.951 334 E N -0.357 119.830 120.200 -0.023 0.000 2.439 334 E HA 0.552 4.934 4.350 0.054 0.000 0.279 334 E C -1.420 175.149 176.600 -0.052 0.000 1.077 334 E CA -1.237 55.176 56.400 0.023 0.000 0.849 334 E CB 0.560 30.251 29.700 -0.015 0.000 1.408 334 E HN -0.073 nan 8.360 nan 0.000 0.457 335 K N 0.553 120.828 120.400 -0.208 0.000 2.234 335 K HA 0.500 4.852 4.320 0.054 0.000 0.277 335 K C -0.080 176.426 176.600 -0.158 0.000 1.038 335 K CA 0.078 56.174 56.287 -0.318 0.000 0.888 335 K CB 1.552 33.807 32.500 -0.409 0.000 1.091 335 K HN 0.643 nan 8.250 nan 0.000 0.467 336 G N 2.920 111.651 108.800 -0.115 0.000 2.563 336 G HA2 0.150 4.142 3.960 0.054 0.000 0.283 336 G HA3 0.150 4.142 3.960 0.054 0.000 0.283 336 G C -1.450 173.405 174.900 -0.074 0.000 1.309 336 G CA -0.978 44.082 45.100 -0.068 0.000 1.022 336 G HN 0.531 nan 8.290 nan 0.000 0.501 337 P HA -0.035 nan 4.420 nan 0.000 0.225 337 P C 1.273 178.546 177.300 -0.045 0.000 1.148 337 P CA 1.414 64.484 63.100 -0.049 0.000 0.779 337 P CB 0.132 31.808 31.700 -0.040 0.000 0.780 338 G N -1.067 107.706 108.800 -0.044 0.000 3.088 338 G HA2 0.308 4.301 3.960 0.054 0.000 0.217 338 G HA3 0.308 4.301 3.960 0.054 0.000 0.217 338 G C 1.098 175.968 174.900 -0.051 0.000 1.159 338 G CA 0.350 45.431 45.100 -0.031 0.000 0.760 338 G HN 0.409 nan 8.290 nan 0.000 0.550 339 G N -1.200 107.546 108.800 -0.089 0.000 2.148 339 G HA2 0.133 4.125 3.960 0.054 0.000 0.254 339 G HA3 0.133 4.125 3.960 0.054 0.000 0.254 339 G C 0.386 175.173 174.900 -0.188 0.000 0.981 339 G CA 0.309 45.326 45.100 -0.138 0.000 0.670 339 G HN 1.373 nan 8.290 nan 0.000 0.528 340 A N -0.925 121.809 122.820 -0.143 0.000 2.330 340 A HA 0.733 5.086 4.320 0.054 0.000 0.329 340 A C -0.041 177.473 177.584 -0.117 0.000 1.135 340 A CA -0.786 51.183 52.037 -0.113 0.000 0.817 340 A CB 0.810 19.821 19.000 0.017 0.000 1.269 340 A HN 0.626 nan 8.150 nan 0.000 0.469 341 W N 0.909 122.233 121.300 0.039 0.000 2.210 341 W HA 0.445 5.138 4.660 0.054 0.000 0.330 341 W C 0.779 177.348 176.519 0.084 0.000 1.334 341 W CA 0.724 58.085 57.345 0.028 0.000 1.227 341 W CB 0.555 30.052 29.460 0.062 0.000 1.178 341 W HN 0.805 nan 8.180 nan 0.000 0.560 342 Q N 1.688 121.688 119.800 0.334 0.000 2.633 342 Q HA 0.468 4.841 4.340 0.054 0.000 0.289 342 Q C -1.773 174.407 176.000 0.301 0.000 0.940 342 Q CA -1.181 54.836 55.803 0.356 0.000 0.785 342 Q CB 1.400 30.247 28.738 0.182 0.000 1.467 342 Q HN 0.413 nan 8.270 nan 0.000 0.401 343 W N 0.330 121.726 121.300 0.160 0.000 2.627 343 W HA 0.833 5.527 4.660 0.057 0.000 0.339 343 W C -0.575 176.192 176.519 0.412 0.000 1.058 343 W CA -0.473 57.030 57.345 0.264 0.000 1.223 343 W CB 2.170 31.779 29.460 0.248 0.000 1.389 343 W HN 0.836 nan 8.180 nan 0.000 0.541 344 A N 3.112 126.274 122.820 0.570 0.000 2.413 344 A HA 0.900 5.252 4.320 0.054 0.000 0.307 344 A C -2.766 174.839 177.584 0.035 0.000 1.087 344 A CA -2.024 50.212 52.037 0.333 0.000 0.750 344 A CB 1.174 20.244 19.000 0.118 0.000 1.296 344 A HN 0.365 nan 8.150 nan 0.000 0.423 345 P HA 0.191 nan 4.420 nan 0.000 0.271 345 P C 0.249 177.357 177.300 -0.320 0.000 1.216 345 P CA -0.114 62.515 63.100 -0.785 0.000 0.776 345 P CB 0.689 31.872 31.700 -0.863 0.000 0.881 346 K N 0.747 121.004 120.400 -0.237 0.000 2.097 346 K HA -0.031 4.321 4.320 0.054 0.000 0.205 346 K C 1.235 177.778 176.600 -0.096 0.000 1.050 346 K CA 1.249 57.473 56.287 -0.106 0.000 0.938 346 K CB -0.203 32.263 32.500 -0.057 0.000 0.718 346 K HN 0.614 nan 8.250 nan 0.000 0.442 347 S N 0.484 116.119 115.700 -0.108 0.000 2.671 347 S HA 0.133 4.635 4.470 0.054 0.000 0.272 347 S C 0.470 175.010 174.600 -0.101 0.000 1.174 347 S CA -0.697 57.460 58.200 -0.072 0.000 1.004 347 S CB 1.119 64.305 63.200 -0.022 0.000 1.077 347 S HN 0.120 nan 8.310 nan 0.000 0.553 348 E N -0.426 119.731 120.200 -0.073 0.000 2.569 348 E HA 0.131 4.513 4.350 0.054 0.000 0.205 348 E C 0.682 177.234 176.600 -0.079 0.000 1.006 348 E CA -0.058 56.294 56.400 -0.081 0.000 0.985 348 E CB 0.167 29.834 29.700 -0.056 0.000 1.060 348 E HN 0.681 nan 8.360 nan 0.000 0.460 349 E N 0.443 120.599 120.200 -0.073 0.000 2.204 349 E HA -0.077 4.306 4.350 0.054 0.000 0.194 349 E C 1.411 177.936 176.600 -0.125 0.000 0.989 349 E CA 0.747 57.120 56.400 -0.045 0.000 0.824 349 E CB 0.221 29.972 29.700 0.084 0.000 0.756 349 E HN 0.269 nan 8.360 nan 0.000 0.477 350 L N 0.567 121.645 121.223 -0.242 0.000 2.640 350 L HA 0.142 4.514 4.340 0.054 0.000 0.230 350 L C 0.801 177.575 176.870 -0.160 0.000 1.123 350 L CA -0.268 54.413 54.840 -0.265 0.000 0.900 350 L CB 0.099 41.891 42.059 -0.446 0.000 1.146 350 L HN -0.087 nan 8.230 nan 0.000 0.484 351 K N 1.961 122.285 120.400 -0.126 0.000 2.491 351 K HA -0.100 4.252 4.320 0.054 0.000 0.279 351 K C 0.175 176.739 176.600 -0.061 0.000 1.026 351 K CA 0.199 56.434 56.287 -0.085 0.000 1.070 351 K CB 0.202 32.660 32.500 -0.069 0.000 0.887 351 K HN 0.175 nan 8.250 nan 0.000 0.481 352 N N 2.138 120.809 118.700 -0.048 0.000 2.716 352 N HA -0.188 4.585 4.740 0.054 0.000 0.250 352 N C 0.053 175.545 175.510 -0.030 0.000 1.033 352 N CA 1.351 54.382 53.050 -0.033 0.000 0.727 352 N CB -1.231 37.240 38.487 -0.027 0.000 0.950 352 N HN 0.699 nan 8.380 nan 0.000 0.541 353 S N -2.739 112.938 115.700 -0.038 0.000 2.575 353 S HA 0.260 4.763 4.470 0.054 0.000 0.215 353 S C 0.594 175.183 174.600 -0.019 0.000 0.966 353 S CA -0.205 57.974 58.200 -0.035 0.000 0.911 353 S CB 0.812 63.978 63.200 -0.058 0.000 0.780 353 S HN 0.095 nan 8.310 nan 0.000 0.514 354 V N 3.571 123.482 119.914 -0.005 0.000 2.604 354 V HA 0.537 4.690 4.120 0.054 0.000 0.305 354 V C -2.535 173.587 176.094 0.047 0.000 1.043 354 V CA -2.426 59.885 62.300 0.019 0.000 0.888 354 V CB 1.924 33.766 31.823 0.030 0.000 0.995 354 V HN 0.128 nan 8.190 nan 0.000 0.429 355 P HA 0.103 nan 4.420 nan 0.000 0.275 355 P C -0.549 176.822 177.300 0.119 0.000 1.228 355 P CA -0.142 63.009 63.100 0.085 0.000 0.786 355 P CB 0.954 32.711 31.700 0.095 0.000 0.927 356 D N 1.688 122.109 120.400 0.035 0.000 2.423 356 D HA 0.010 4.682 4.640 0.054 0.000 0.238 356 D C 1.231 177.443 176.300 -0.146 0.000 1.142 356 D CA -0.070 53.915 54.000 -0.024 0.000 0.884 356 D CB 1.181 41.962 40.800 -0.031 0.000 1.199 356 D HN 0.326 nan 8.370 nan 0.000 0.438 357 A N 3.471 126.071 122.820 -0.367 0.000 2.067 357 A HA -0.159 4.193 4.320 0.054 0.000 0.219 357 A C 1.122 178.229 177.584 -0.794 0.000 1.158 357 A CA 1.455 52.923 52.037 -0.949 0.000 0.661 357 A CB -0.221 18.192 19.000 -0.979 0.000 0.801 357 A HN 0.766 nan 8.150 nan 0.000 0.452 358 H N -2.898 116.008 119.070 -0.273 0.000 3.207 358 H HA 0.166 4.754 4.556 0.054 0.000 0.237 358 H C -0.224 175.028 175.328 -0.127 0.000 0.959 358 H CA -0.162 55.768 56.048 -0.197 0.000 1.091 358 H CB 0.467 30.111 29.762 -0.196 0.000 1.447 358 H HN 0.254 nan 8.280 nan 0.000 0.477 359 D N 2.267 122.672 120.400 0.009 0.000 2.393 359 D HA 0.073 4.745 4.640 0.054 0.000 0.232 359 D C -1.756 174.532 176.300 -0.019 0.000 1.192 359 D CA -1.860 52.134 54.000 -0.009 0.000 0.882 359 D CB 1.394 42.186 40.800 -0.014 0.000 1.038 359 D HN 0.109 nan 8.370 nan 0.000 0.499 360 P HA -0.111 nan 4.420 nan 0.000 0.218 360 P C 0.359 177.654 177.300 -0.008 0.000 1.146 360 P CA 0.932 64.023 63.100 -0.014 0.000 0.813 360 P CB 0.337 32.029 31.700 -0.013 0.000 0.778 361 D N -0.818 119.576 120.400 -0.010 0.000 2.587 361 D HA 0.091 4.763 4.640 0.054 0.000 0.233 361 D C -0.070 176.224 176.300 -0.010 0.000 1.213 361 D CA -0.199 53.795 54.000 -0.009 0.000 0.827 361 D CB -0.091 40.704 40.800 -0.009 0.000 1.006 361 D HN 0.075 nan 8.370 nan 0.000 0.490 362 E N -0.272 119.922 120.200 -0.009 0.000 2.413 362 E HA 0.429 4.811 4.350 0.054 0.000 0.277 362 E C -1.151 175.446 176.600 -0.006 0.000 0.958 362 E CA -0.829 55.565 56.400 -0.011 0.000 0.779 362 E CB 1.426 31.116 29.700 -0.016 0.000 1.278 362 E HN -0.114 nan 8.360 nan 0.000 0.456 363 K N 1.267 121.663 120.400 -0.007 0.000 2.480 363 K HA 0.436 4.788 4.320 0.054 0.000 0.258 363 K C -1.024 175.572 176.600 -0.007 0.000 0.990 363 K CA -0.788 55.498 56.287 -0.001 0.000 0.857 363 K CB 2.376 34.873 32.500 -0.004 0.000 1.384 363 K HN 0.396 nan 8.250 nan 0.000 0.446 364 Q N 0.066 119.866 119.800 -0.001 0.000 2.484 364 Q HA 0.427 4.799 4.340 0.054 0.000 0.285 364 Q C -1.145 174.846 176.000 -0.015 0.000 1.097 364 Q CA -0.911 54.886 55.803 -0.010 0.000 0.802 364 Q CB 2.714 31.448 28.738 -0.007 0.000 1.444 364 Q HN 0.465 nan 8.270 nan 0.000 0.429 365 T N 2.340 116.881 114.554 -0.022 0.000 2.867 365 T HA 0.428 4.811 4.350 0.054 0.000 0.282 365 T C -2.452 172.247 174.700 -0.001 0.000 1.000 365 T CA -1.383 60.700 62.100 -0.028 0.000 1.042 365 T CB 1.184 70.029 68.868 -0.039 0.000 0.973 365 T HN 0.267 nan 8.240 nan 0.000 0.465 366 P HA 0.296 nan 4.420 nan 0.000 0.269 366 P C -0.708 176.711 177.300 0.199 0.000 1.215 366 P CA -0.392 62.761 63.100 0.090 0.000 0.780 366 P CB 0.376 32.161 31.700 0.141 0.000 0.898 367 M N 1.222 120.876 119.600 0.091 0.000 2.658 367 M HA 0.823 5.335 4.480 0.054 0.000 0.295 367 M C -1.134 175.068 176.300 -0.164 0.000 1.248 367 M CA -0.734 54.629 55.300 0.105 0.000 0.843 367 M CB 1.995 34.574 32.600 -0.036 0.000 1.749 367 M HN 0.022 nan 8.290 nan 0.000 0.464 368 M N 1.787 121.278 119.600 -0.182 0.000 2.518 368 M HA 0.730 5.243 4.480 0.054 0.000 0.300 368 M C -1.888 174.387 176.300 -0.042 0.000 1.175 368 M CA -0.892 54.208 55.300 -0.332 0.000 0.890 368 M CB 2.423 34.388 32.600 -1.058 0.000 1.710 368 M HN 0.864 nan 8.290 nan 0.000 0.453 369 L N 1.656 122.904 121.223 0.043 0.000 2.416 369 L HA 0.452 4.824 4.340 0.054 0.000 0.262 369 L C 1.123 177.955 176.870 -0.063 0.000 1.093 369 L CA -0.582 54.347 54.840 0.148 0.000 0.801 369 L CB 0.773 42.980 42.059 0.247 0.000 1.191 369 L HN 0.771 nan 8.230 nan 0.000 0.459 370 T N -1.006 113.619 114.554 0.119 0.000 2.759 370 T HA -0.160 4.222 4.350 0.054 0.000 0.269 370 T C 1.737 176.359 174.700 -0.130 0.000 1.042 370 T CA 2.022 64.109 62.100 -0.021 0.000 1.140 370 T CB -0.259 68.781 68.868 0.287 0.000 0.864 370 T HN 0.904 nan 8.240 nan 0.000 0.455 371 T N 0.218 114.777 114.554 0.009 0.000 3.007 371 T HA -0.065 4.317 4.350 0.054 0.000 0.270 371 T C 1.382 176.034 174.700 -0.080 0.000 1.107 371 T CA 0.855 62.954 62.100 -0.001 0.000 1.118 371 T CB -0.141 68.795 68.868 0.114 0.000 0.889 371 T HN 0.289 nan 8.240 nan 0.000 0.506 372 D N 1.316 121.668 120.400 -0.080 0.000 2.201 372 D HA 0.094 4.766 4.640 0.054 0.000 0.209 372 D C 2.126 178.238 176.300 -0.315 0.000 0.961 372 D CA 0.440 54.381 54.000 -0.098 0.000 0.861 372 D CB -0.002 40.807 40.800 0.014 0.000 0.997 372 D HN 0.288 nan 8.370 nan 0.000 0.486 373 I N 1.902 122.170 120.570 -0.504 0.000 2.454 373 I HA -0.172 4.030 4.170 0.054 0.000 0.254 373 I C 2.497 178.387 176.117 -0.380 0.000 1.156 373 I CA 0.456 61.390 61.300 -0.609 0.000 1.433 373 I CB -1.263 36.062 38.000 -1.125 0.000 1.082 373 I HN -0.145 nan 8.210 nan 0.000 0.432 374 A N 1.103 123.748 122.820 -0.292 0.000 1.940 374 A HA -0.160 4.192 4.320 0.054 0.000 0.219 374 A C 2.340 179.852 177.584 -0.120 0.000 1.176 374 A CA 1.264 53.205 52.037 -0.162 0.000 0.631 374 A CB -0.783 18.145 19.000 -0.120 0.000 0.814 374 A HN 0.442 nan 8.150 nan 0.000 0.446 375 L N -1.181 119.903 121.223 -0.231 0.000 2.362 375 L HA -0.102 4.270 4.340 0.054 0.000 0.219 375 L C 2.486 179.291 176.870 -0.108 0.000 1.134 375 L CA 1.615 56.313 54.840 -0.237 0.000 0.807 375 L CB -0.296 41.566 42.059 -0.329 0.000 0.927 375 L HN 0.487 nan 8.230 nan 0.000 0.447 376 K N 0.211 120.524 120.400 -0.146 0.000 2.244 376 K HA 0.029 4.381 4.320 0.054 0.000 0.200 376 K C 2.146 178.701 176.600 -0.075 0.000 1.052 376 K CA 0.232 56.447 56.287 -0.119 0.000 0.980 376 K CB 0.306 32.711 32.500 -0.159 0.000 0.838 376 K HN 0.141 nan 8.250 nan 0.000 0.481 377 R N 0.798 121.250 120.500 -0.081 0.000 2.246 377 R HA 0.028 4.400 4.340 0.054 0.000 0.199 377 R C 0.230 176.518 176.300 -0.020 0.000 0.984 377 R CA 0.247 56.319 56.100 -0.047 0.000 1.015 377 R CB 0.021 30.287 30.300 -0.057 0.000 0.930 377 R HN 0.247 nan 8.270 nan 0.000 0.475 378 D N 2.220 122.626 120.400 0.009 0.000 2.312 378 D HA 0.029 4.701 4.640 0.054 0.000 0.252 378 D C -1.494 174.792 176.300 -0.022 0.000 1.150 378 D CA -1.937 52.069 54.000 0.011 0.000 0.870 378 D CB 1.794 42.653 40.800 0.098 0.000 1.153 378 D HN -0.072 nan 8.370 nan 0.000 0.457 379 P HA -0.160 nan 4.420 nan 0.000 0.216 379 P C 0.656 177.903 177.300 -0.089 0.000 1.150 379 P CA 1.069 64.132 63.100 -0.063 0.000 0.837 379 P CB 0.509 32.173 31.700 -0.060 0.000 0.786 380 D N -1.108 119.204 120.400 -0.146 0.000 2.149 380 D HA -0.119 4.553 4.640 0.054 0.000 0.201 380 D C 2.295 178.491 176.300 -0.173 0.000 0.972 380 D CA 1.018 54.903 54.000 -0.193 0.000 0.835 380 D CB -0.662 39.970 40.800 -0.280 0.000 0.966 380 D HN 0.334 nan 8.370 nan 0.000 0.476 381 Y N 0.747 120.969 120.300 -0.130 0.000 2.293 381 Y HA -0.145 4.434 4.550 0.049 0.000 0.291 381 Y C 2.640 178.430 175.900 -0.182 0.000 1.137 381 Y CA 0.301 58.302 58.100 -0.165 0.000 1.202 381 Y CB 0.150 38.514 38.460 -0.161 0.000 0.990 381 Y HN -0.155 nan 8.280 nan 0.000 0.537 382 R N 1.317 121.823 120.500 0.009 0.000 2.081 382 R HA -0.167 4.206 4.340 0.054 0.000 0.235 382 R C 1.645 177.889 176.300 -0.094 0.000 1.131 382 R CA 1.874 57.941 56.100 -0.055 0.000 0.960 382 R CB -0.444 29.826 30.300 -0.049 0.000 0.856 382 R HN 0.388 nan 8.270 nan 0.000 0.436 383 E N -0.700 119.442 120.200 -0.097 0.000 2.077 383 E HA -0.144 4.238 4.350 0.054 0.000 0.193 383 E C 1.910 178.405 176.600 -0.174 0.000 0.989 383 E CA 1.549 57.883 56.400 -0.111 0.000 0.800 383 E CB -0.047 29.596 29.700 -0.097 0.000 0.746 383 E HN 0.137 nan 8.360 nan 0.000 0.452 384 V N 1.322 121.096 119.914 -0.233 0.000 2.307 384 V HA -0.258 3.894 4.120 0.054 0.000 0.245 384 V C 2.291 177.997 176.094 -0.646 0.000 1.045 384 V CA 1.354 63.372 62.300 -0.471 0.000 1.024 384 V CB -0.334 31.212 31.823 -0.462 0.000 0.651 384 V HN 0.321 nan 8.190 nan 0.000 0.449 385 M N -0.594 118.774 119.600 -0.386 0.000 2.159 385 M HA -0.119 4.393 4.480 0.054 0.000 0.263 385 M C 2.212 178.409 176.300 -0.172 0.000 1.063 385 M CA 1.490 56.628 55.300 -0.270 0.000 1.110 385 M CB -1.206 31.289 32.600 -0.175 0.000 1.374 385 M HN 0.375 nan 8.290 nan 0.000 0.411 386 E N -0.137 119.975 120.200 -0.146 0.000 2.077 386 E HA -0.113 4.270 4.350 0.054 0.000 0.193 386 E C 2.052 178.622 176.600 -0.050 0.000 0.989 386 E CA 1.603 57.952 56.400 -0.085 0.000 0.800 386 E CB -0.525 29.131 29.700 -0.074 0.000 0.746 386 E HN 0.472 nan 8.360 nan 0.000 0.452 387 T N 1.166 115.672 114.554 -0.081 0.000 2.746 387 T HA -0.077 4.306 4.350 0.054 0.000 0.267 387 T C 1.817 176.625 174.700 0.180 0.000 1.039 387 T CA 0.892 62.997 62.100 0.009 0.000 1.142 387 T CB -0.414 68.430 68.868 -0.039 0.000 0.866 387 T HN 0.188 nan 8.240 nan 0.000 0.444 388 F N 1.233 121.176 119.950 -0.012 0.000 2.134 388 F HA -0.159 4.391 4.527 0.038 0.000 0.299 388 F C 2.987 178.757 175.800 -0.050 0.000 1.097 388 F CA 0.840 58.834 58.000 -0.010 0.000 1.264 388 F CB -0.225 38.665 39.000 -0.183 0.000 1.001 388 F HN 0.189 nan 8.300 nan 0.000 0.479 389 Q N 0.684 120.535 119.800 0.085 0.000 2.084 389 Q HA -0.243 4.130 4.340 0.054 0.000 0.202 389 Q C 2.202 178.230 176.000 0.047 0.000 0.978 389 Q CA 1.425 57.233 55.803 0.008 0.000 0.844 389 Q CB -0.182 28.532 28.738 -0.041 0.000 0.898 389 Q HN 0.279 nan 8.270 nan 0.000 0.426 390 E N 0.482 120.717 120.200 0.059 0.000 2.150 390 E HA -0.131 4.251 4.350 0.054 0.000 0.193 390 E C -0.030 176.623 176.600 0.089 0.000 0.985 390 E CA 0.648 57.082 56.400 0.058 0.000 0.814 390 E CB 0.149 29.877 29.700 0.045 0.000 0.752 390 E HN 0.163 nan 8.360 nan 0.000 0.466 391 N N -0.212 118.570 118.700 0.137 0.000 2.623 391 N HA 0.183 4.955 4.740 0.054 0.000 0.256 391 N C -2.358 173.277 175.510 0.208 0.000 1.045 391 N CA -2.003 51.139 53.050 0.154 0.000 0.863 391 N CB 1.616 40.194 38.487 0.151 0.000 1.182 391 N HN -0.224 nan 8.380 nan 0.000 0.523 392 P HA -0.106 nan 4.420 nan 0.000 0.219 392 P C 1.572 179.036 177.300 0.274 0.000 1.146 392 P CA 1.030 64.295 63.100 0.275 0.000 0.808 392 P CB 0.346 32.178 31.700 0.220 0.000 0.779 393 M N -0.752 118.967 119.600 0.198 0.000 2.175 393 M HA -0.168 4.344 4.480 0.054 0.000 0.264 393 M C 1.718 178.106 176.300 0.147 0.000 1.063 393 M CA 1.797 57.192 55.300 0.159 0.000 1.119 393 M CB -0.241 32.430 32.600 0.118 0.000 1.377 393 M HN -0.087 nan 8.290 nan 0.000 0.415 394 E N -0.383 119.919 120.200 0.171 0.000 2.072 394 E HA -0.187 4.196 4.350 0.054 0.000 0.190 394 E C 1.753 178.390 176.600 0.062 0.000 0.982 394 E CA 1.172 57.676 56.400 0.173 0.000 0.803 394 E CB -0.315 29.544 29.700 0.265 0.000 0.755 394 E HN 0.495 nan 8.360 nan 0.000 0.453 395 F N 1.883 121.712 119.950 -0.201 0.000 2.095 395 F HA -0.095 4.462 4.527 0.050 0.000 0.298 395 F C 2.082 177.754 175.800 -0.214 0.000 1.104 395 F CA 1.826 59.411 58.000 -0.691 0.000 1.232 395 F CB -0.950 37.837 39.000 -0.356 0.000 0.987 395 F HN -0.067 nan 8.300 nan 0.000 0.475 396 G N 0.727 109.485 108.800 -0.070 0.000 2.459 396 G HA2 -0.271 3.721 3.960 0.054 0.000 0.217 396 G HA3 -0.271 3.721 3.960 0.054 0.000 0.217 396 G C 1.655 176.636 174.900 0.134 0.000 1.183 396 G CA 1.058 46.197 45.100 0.065 0.000 0.776 396 G HN 0.299 nan 8.290 nan 0.000 0.552 397 M N 1.034 120.685 119.600 0.083 0.000 2.117 397 M HA -0.038 4.475 4.480 0.054 0.000 0.262 397 M C 2.321 178.647 176.300 0.043 0.000 1.065 397 M CA 0.865 56.208 55.300 0.071 0.000 1.114 397 M CB -1.248 31.392 32.600 0.067 0.000 1.361 397 M HN 0.242 nan 8.290 nan 0.000 0.408 398 N N -0.425 118.290 118.700 0.025 0.000 2.120 398 N HA -0.177 4.595 4.740 0.054 0.000 0.188 398 N C 1.783 177.340 175.510 0.079 0.000 1.024 398 N CA 1.319 54.406 53.050 0.062 0.000 0.852 398 N CB -0.375 38.173 38.487 0.101 0.000 1.003 398 N HN 0.352 nan 8.380 nan 0.000 0.424 399 F N 1.848 121.711 119.950 -0.145 0.000 2.113 399 F HA -0.120 4.439 4.527 0.054 0.000 0.297 399 F C 2.400 178.210 175.800 0.018 0.000 1.103 399 F CA 1.279 59.190 58.000 -0.147 0.000 1.248 399 F CB -0.099 38.611 39.000 -0.484 0.000 0.999 399 F HN -0.025 nan 8.300 nan 0.000 0.475 400 A N 0.670 123.443 122.820 -0.078 0.000 1.883 400 A HA -0.241 4.112 4.320 0.054 0.000 0.217 400 A C 2.182 179.769 177.584 0.005 0.000 1.186 400 A CA 2.122 54.165 52.037 0.011 0.000 0.624 400 A CB -0.725 18.383 19.000 0.180 0.000 0.822 400 A HN 0.488 nan 8.150 nan 0.000 0.444 401 K N -0.537 119.812 120.400 -0.085 0.000 2.103 401 K HA 0.049 4.401 4.320 0.054 0.000 0.204 401 K C 2.267 178.868 176.600 0.001 0.000 1.052 401 K CA 0.965 57.154 56.287 -0.163 0.000 0.945 401 K CB -0.269 32.075 32.500 -0.260 0.000 0.722 401 K HN 0.432 nan 8.250 nan 0.000 0.443 402 A N 1.347 124.167 122.820 0.000 0.000 1.969 402 A HA -0.165 4.188 4.320 0.054 0.000 0.218 402 A C 1.858 179.443 177.584 0.001 0.000 1.169 402 A CA 0.798 52.837 52.037 0.003 0.000 0.635 402 A CB -0.770 18.279 19.000 0.083 0.000 0.810 402 A HN 0.605 nan 8.150 nan 0.000 0.445 403 W N -0.632 120.538 121.300 -0.217 0.000 2.388 403 W HA -0.218 4.469 4.660 0.044 0.000 0.294 403 W C 1.923 178.468 176.519 0.043 0.000 1.212 403 W CA 1.626 58.862 57.345 -0.182 0.000 1.271 403 W CB -0.418 28.739 29.460 -0.504 0.000 1.126 403 W HN 0.534 nan 8.180 nan 0.000 0.535 404 Y N 1.767 122.084 120.300 0.027 0.000 2.145 404 Y HA -0.298 4.275 4.550 0.038 0.000 0.286 404 Y C 2.898 178.783 175.900 -0.024 0.000 1.145 404 Y CA 2.820 60.975 58.100 0.091 0.000 1.148 404 Y CB -0.567 38.032 38.460 0.231 0.000 0.981 404 Y HN -0.154 nan 8.280 nan 0.000 0.507 405 K N 0.326 120.527 120.400 -0.331 0.000 2.032 405 K HA -0.252 4.100 4.320 0.054 0.000 0.209 405 K C 2.106 178.216 176.600 -0.817 0.000 1.048 405 K CA 1.696 57.313 56.287 -1.116 0.000 0.927 405 K CB -0.495 31.359 32.500 -1.076 0.000 0.712 405 K HN 0.418 nan 8.250 nan 0.000 0.441 406 L N 1.432 122.374 121.223 -0.469 0.000 1.990 406 L HA -0.193 4.180 4.340 0.054 0.000 0.213 406 L C 2.170 178.788 176.870 -0.419 0.000 1.072 406 L CA 2.752 57.386 54.840 -0.344 0.000 0.755 406 L CB -1.083 40.864 42.059 -0.186 0.000 0.889 406 L HN 0.449 nan 8.230 nan 0.000 0.432 407 T N -4.788 109.468 114.554 -0.497 0.000 3.148 407 T HA -0.007 4.375 4.350 0.054 0.000 0.253 407 T C 0.860 175.180 174.700 -0.632 0.000 1.134 407 T CA 1.137 62.920 62.100 -0.528 0.000 1.051 407 T CB -0.550 67.946 68.868 -0.619 0.000 0.959 407 T HN 0.609 nan 8.240 nan 0.000 0.525 408 H N -0.172 118.602 119.070 -0.493 0.000 3.398 408 H HA 0.330 4.921 4.556 0.058 0.000 0.260 408 H C 2.007 177.167 175.328 -0.279 0.000 1.189 408 H CA -0.380 55.423 56.048 -0.408 0.000 1.145 408 H CB 0.277 29.845 29.762 -0.322 0.000 1.599 408 H HN 0.341 nan 8.280 nan 0.000 0.615 409 R N 0.983 121.231 120.500 -0.420 0.000 2.193 409 R HA -0.094 4.279 4.340 0.054 0.000 0.229 409 R C -0.034 176.027 176.300 -0.398 0.000 1.110 409 R CA 1.891 57.730 56.100 -0.433 0.000 0.988 409 R CB -0.310 29.578 30.300 -0.687 0.000 0.871 409 R HN 0.290 nan 8.270 nan 0.000 0.458 410 D N -0.227 119.911 120.400 -0.437 0.000 2.363 410 D HA 0.034 4.707 4.640 0.054 0.000 0.214 410 D C 1.374 177.574 176.300 -0.166 0.000 1.093 410 D CA 0.037 53.851 54.000 -0.310 0.000 0.837 410 D CB 0.113 40.740 40.800 -0.289 0.000 0.948 410 D HN 0.228 nan 8.370 nan 0.000 0.507 411 M N 0.275 119.788 119.600 -0.145 0.000 2.561 411 M HA 0.270 4.782 4.480 0.054 0.000 0.238 411 M C 0.940 177.227 176.300 -0.022 0.000 1.131 411 M CA 0.454 55.658 55.300 -0.160 0.000 1.046 411 M CB 0.228 32.570 32.600 -0.429 0.000 1.532 411 M HN 0.285 nan 8.290 nan 0.000 0.497 412 G N 1.556 110.393 108.800 0.060 0.000 2.584 412 G HA2 -0.187 3.806 3.960 0.054 0.000 0.229 412 G HA3 -0.187 3.806 3.960 0.054 0.000 0.229 412 G C -2.882 172.088 174.900 0.118 0.000 1.320 412 G CA -0.981 44.143 45.100 0.040 0.000 0.891 412 G HN 0.199 nan 8.290 nan 0.000 0.573 413 P HA 0.283 nan 4.420 nan 0.000 0.274 413 P C -2.083 175.142 177.300 -0.124 0.000 1.246 413 P CA -0.765 62.320 63.100 -0.024 0.000 0.795 413 P CB 0.646 32.397 31.700 0.085 0.000 1.006 414 P HA -0.211 nan 4.420 nan 0.000 0.218 414 P C 1.507 178.734 177.300 -0.121 0.000 1.150 414 P CA 1.599 64.446 63.100 -0.422 0.000 0.841 414 P CB -0.094 31.405 31.700 -0.333 0.000 0.784 415 E N -0.607 119.575 120.200 -0.030 0.000 2.209 415 E HA -0.172 4.211 4.350 0.054 0.000 0.196 415 E C 1.847 178.482 176.600 0.060 0.000 0.993 415 E CA 1.032 57.453 56.400 0.035 0.000 0.819 415 E CB -0.260 29.498 29.700 0.096 0.000 0.745 415 E HN 0.378 nan 8.360 nan 0.000 0.477 416 R N -0.758 119.778 120.500 0.060 0.000 2.275 416 R HA 0.090 4.462 4.340 0.054 0.000 0.199 416 R C 0.481 176.857 176.300 0.127 0.000 0.989 416 R CA -0.113 55.999 56.100 0.020 0.000 1.016 416 R CB 0.027 30.218 30.300 -0.182 0.000 0.918 416 R HN 0.050 nan 8.270 nan 0.000 0.473 417 F N 2.070 121.959 119.950 -0.102 0.000 2.471 417 F HA 0.214 4.774 4.527 0.055 0.000 0.365 417 F C 0.452 176.215 175.800 -0.063 0.000 1.095 417 F CA -0.563 57.390 58.000 -0.078 0.000 1.174 417 F CB 0.552 39.534 39.000 -0.030 0.000 1.105 417 F HN -0.209 nan 8.300 nan 0.000 0.535 418 L N 2.939 124.161 121.223 -0.002 0.000 2.322 418 L HA 0.933 5.306 4.340 0.054 0.000 0.269 418 L C 0.349 177.353 176.870 0.224 0.000 1.012 418 L CA -0.946 53.930 54.840 0.060 0.000 0.815 418 L CB 1.688 43.729 42.059 -0.030 0.000 1.295 418 L HN 0.812 nan 8.230 nan 0.000 0.438 419 G N 1.262 110.255 108.800 0.321 0.000 2.612 419 G HA2 -0.098 3.895 3.960 0.054 0.000 0.686 419 G HA3 -0.098 3.895 3.960 0.054 0.000 0.686 419 G C -2.312 172.693 174.900 0.175 0.000 1.274 419 G CA -0.379 44.926 45.100 0.341 0.000 0.849 419 G HN 0.528 nan 8.290 nan 0.000 0.595 420 P HA 0.047 nan 4.420 nan 0.000 0.233 420 P C 0.763 178.100 177.300 0.062 0.000 1.167 420 P CA 1.216 64.352 63.100 0.061 0.000 0.770 420 P CB 0.259 31.972 31.700 0.023 0.000 0.837 421 E N -0.362 119.914 120.200 0.126 0.000 2.476 421 E HA 0.127 4.509 4.350 0.054 0.000 0.196 421 E C -0.017 176.623 176.600 0.066 0.000 1.029 421 E CA -0.255 56.206 56.400 0.100 0.000 0.896 421 E CB 0.651 30.466 29.700 0.192 0.000 1.012 421 E HN 0.051 nan 8.360 nan 0.000 0.475 422 V N 3.806 123.770 119.914 0.083 0.000 2.529 422 V HA 0.042 4.194 4.120 0.054 0.000 0.292 422 V C -1.961 174.107 176.094 -0.043 0.000 1.028 422 V CA -1.134 61.214 62.300 0.079 0.000 1.074 422 V CB 0.111 32.013 31.823 0.131 0.000 0.958 422 V HN 0.064 nan 8.190 nan 0.000 0.481 423 P HA 0.124 nan 4.420 nan 0.000 0.269 423 P C 0.459 177.672 177.300 -0.144 0.000 1.215 423 P CA -0.239 62.705 63.100 -0.260 0.000 0.780 423 P CB 0.585 32.028 31.700 -0.428 0.000 0.898 424 D N 0.146 120.457 120.400 -0.148 0.000 2.183 424 D HA -0.094 4.578 4.640 0.054 0.000 0.203 424 D C 0.569 176.822 176.300 -0.079 0.000 0.969 424 D CA 1.047 54.989 54.000 -0.096 0.000 0.842 424 D CB 0.130 40.877 40.800 -0.088 0.000 0.957 424 D HN 0.547 nan 8.370 nan 0.000 0.484 425 E N 1.575 121.733 120.200 -0.070 0.000 2.290 425 E HA 0.055 4.437 4.350 0.054 0.000 0.277 425 E C -0.601 175.979 176.600 -0.034 0.000 1.035 425 E CA -0.069 56.321 56.400 -0.017 0.000 0.873 425 E CB 0.592 30.338 29.700 0.077 0.000 1.029 425 E HN 0.045 nan 8.360 nan 0.000 0.419 426 E N 4.403 124.547 120.200 -0.093 0.000 2.197 426 E HA 0.192 4.575 4.350 0.054 0.000 0.281 426 E C -0.342 176.109 176.600 -0.248 0.000 0.995 426 E CA -0.758 55.518 56.400 -0.206 0.000 0.808 426 E CB 1.123 30.699 29.700 -0.206 0.000 1.093 426 E HN 0.427 nan 8.360 nan 0.000 0.394 427 M N 2.463 121.779 119.600 -0.474 0.000 2.274 427 M HA 0.142 4.654 4.480 0.054 0.000 0.344 427 M C 1.190 177.121 176.300 -0.614 0.000 1.161 427 M CA -0.478 54.454 55.300 -0.614 0.000 1.126 427 M CB 0.442 32.363 32.600 -1.132 0.000 1.522 427 M HN 0.591 nan 8.290 nan 0.000 0.461 428 I N 2.994 123.366 120.570 -0.330 0.000 2.335 428 I HA -0.223 3.980 4.170 0.054 0.000 0.251 428 I C 1.894 177.972 176.117 -0.066 0.000 1.129 428 I CA 1.721 62.946 61.300 -0.125 0.000 1.402 428 I CB -0.225 37.783 38.000 0.013 0.000 1.069 428 I HN 0.785 nan 8.210 nan 0.000 0.424 429 W N -0.236 121.074 121.300 0.016 0.000 2.825 429 W HA -0.041 4.628 4.660 0.015 0.000 0.243 429 W C 1.412 177.917 176.519 -0.022 0.000 1.293 429 W CA 0.047 57.392 57.345 -0.000 0.000 1.403 429 W CB -1.403 28.047 29.460 -0.016 0.000 1.134 429 W HN 0.280 nan 8.180 nan 0.000 0.666 430 Q N 0.804 120.432 119.800 -0.288 0.000 2.403 430 Q HA -0.049 4.324 4.340 0.054 0.000 0.203 430 Q C -0.289 175.667 176.000 -0.073 0.000 0.932 430 Q CA 0.415 56.076 55.803 -0.236 0.000 0.945 430 Q CB -0.169 28.195 28.738 -0.624 0.000 1.045 430 Q HN 0.070 nan 8.270 nan 0.000 0.511 431 D N 1.060 121.464 120.400 0.007 0.000 2.746 431 D HA -0.128 4.544 4.640 0.054 0.000 0.241 431 D C -2.417 173.913 176.300 0.050 0.000 1.140 431 D CA 0.497 54.574 54.000 0.127 0.000 0.707 431 D CB -0.835 40.094 40.800 0.215 0.000 1.034 431 D HN 0.307 nan 8.370 nan 0.000 0.423 432 P HA 0.141 nan 4.420 nan 0.000 0.270 432 P C 0.163 177.424 177.300 -0.066 0.000 1.223 432 P CA -0.150 62.919 63.100 -0.052 0.000 0.785 432 P CB 0.907 32.578 31.700 -0.050 0.000 0.923 433 L N 2.460 123.593 121.223 -0.151 0.000 2.386 433 L HA 0.487 4.859 4.340 0.054 0.000 0.271 433 L C -1.939 174.725 176.870 -0.343 0.000 0.993 433 L CA -2.364 52.303 54.840 -0.288 0.000 0.819 433 L CB 2.143 44.111 42.059 -0.151 0.000 1.294 433 L HN 0.299 nan 8.230 nan 0.000 0.414 434 P HA 0.116 nan 4.420 nan 0.000 0.274 434 P C -1.239 175.965 177.300 -0.160 0.000 1.237 434 P CA -0.429 62.503 63.100 -0.279 0.000 0.793 434 P CB 0.889 32.442 31.700 -0.245 0.000 0.977 435 D N 0.029 120.366 120.400 -0.106 0.000 2.313 435 D HA 0.268 4.940 4.640 0.054 0.000 0.247 435 D C 0.070 176.268 176.300 -0.169 0.000 1.094 435 D CA 0.009 53.935 54.000 -0.124 0.000 0.925 435 D CB 0.929 41.670 40.800 -0.098 0.000 1.188 435 D HN 0.344 nan 8.370 nan 0.000 0.430 436 A N 2.077 124.728 122.820 -0.282 0.000 2.798 436 A HA 0.100 4.452 4.320 0.054 0.000 0.316 436 A C -0.085 177.097 177.584 -0.670 0.000 1.506 436 A CA -0.539 51.130 52.037 -0.615 0.000 1.162 436 A CB -0.107 18.444 19.000 -0.749 0.000 1.138 436 A HN 0.279 nan 8.150 nan 0.000 0.532 437 D N 2.980 123.164 120.400 -0.359 0.000 2.671 437 D HA 0.331 5.003 4.640 0.054 0.000 0.228 437 D C -0.686 175.609 176.300 -0.009 0.000 1.102 437 D CA 1.044 54.957 54.000 -0.145 0.000 1.044 437 D CB -0.647 40.147 40.800 -0.010 0.000 1.113 437 D HN 0.627 nan 8.370 nan 0.000 0.480 438 Y N -2.617 117.688 120.300 0.010 0.000 2.765 438 Y HA 0.215 4.798 4.550 0.054 0.000 0.350 438 Y C -1.002 174.911 175.900 0.023 0.000 1.196 438 Y CA -1.564 56.546 58.100 0.018 0.000 1.119 438 Y CB 0.428 38.904 38.460 0.027 0.000 1.368 438 Y HN -0.276 nan 8.280 nan 0.000 0.463 439 D N 2.449 123.017 120.400 0.280 0.000 2.345 439 D HA 0.338 5.010 4.640 0.054 0.000 0.247 439 D C -0.103 176.372 176.300 0.291 0.000 1.108 439 D CA 0.020 54.135 54.000 0.191 0.000 0.894 439 D CB 1.564 42.441 40.800 0.128 0.000 1.203 439 D HN 0.558 nan 8.370 nan 0.000 0.430 440 L N 1.945 123.283 121.223 0.191 0.000 2.395 440 L HA 0.305 4.678 4.340 0.054 0.000 0.269 440 L C 1.023 177.999 176.870 0.178 0.000 1.133 440 L CA -0.878 54.084 54.840 0.204 0.000 0.812 440 L CB 0.526 42.653 42.059 0.112 0.000 1.125 440 L HN 0.274 nan 8.230 nan 0.000 0.452 441 I N -0.615 120.068 120.570 0.189 0.000 2.752 441 I HA 0.340 4.542 4.170 0.054 0.000 0.287 441 I C 0.691 176.890 176.117 0.137 0.000 1.188 441 I CA -0.155 61.250 61.300 0.175 0.000 1.427 441 I CB 0.319 38.387 38.000 0.115 0.000 1.365 441 I HN 0.559 nan 8.210 nan 0.000 0.585 442 G N 3.369 112.244 108.800 0.126 0.000 2.557 442 G HA2 0.190 4.183 3.960 0.054 0.000 0.302 442 G HA3 0.190 4.183 3.960 0.054 0.000 0.302 442 G C 0.177 175.131 174.900 0.090 0.000 1.311 442 G CA -0.361 44.797 45.100 0.097 0.000 1.030 442 G HN 0.751 nan 8.290 nan 0.000 0.509 443 D N -0.801 119.644 120.400 0.075 0.000 2.190 443 D HA -0.128 4.544 4.640 0.054 0.000 0.200 443 D C 1.905 178.235 176.300 0.050 0.000 0.992 443 D CA 1.302 55.342 54.000 0.065 0.000 0.854 443 D CB 0.089 40.921 40.800 0.054 0.000 0.936 443 D HN 0.662 nan 8.370 nan 0.000 0.462 444 E N 0.136 120.369 120.200 0.054 0.000 2.072 444 E HA -0.160 4.223 4.350 0.054 0.000 0.190 444 E C 1.600 178.234 176.600 0.057 0.000 0.982 444 E CA 0.769 57.200 56.400 0.050 0.000 0.803 444 E CB 0.218 29.951 29.700 0.055 0.000 0.755 444 E HN 0.128 nan 8.360 nan 0.000 0.453 445 E N 0.589 120.841 120.200 0.085 0.000 2.106 445 E HA -0.141 4.242 4.350 0.054 0.000 0.192 445 E C 1.982 178.556 176.600 -0.043 0.000 0.984 445 E CA 0.910 57.369 56.400 0.097 0.000 0.806 445 E CB -0.084 29.739 29.700 0.205 0.000 0.750 445 E HN 0.340 nan 8.360 nan 0.000 0.458 446 I N 0.837 121.387 120.570 -0.033 0.000 2.099 446 I HA -0.329 3.873 4.170 0.054 0.000 0.239 446 I C 2.381 178.426 176.117 -0.120 0.000 1.066 446 I CA 1.284 62.523 61.300 -0.100 0.000 1.324 446 I CB -0.471 37.521 38.000 -0.013 0.000 1.037 446 I HN 0.122 nan 8.210 nan 0.000 0.401 447 A N 0.151 122.937 122.820 -0.056 0.000 1.940 447 A HA -0.288 4.065 4.320 0.054 0.000 0.219 447 A C 2.312 179.865 177.584 -0.052 0.000 1.176 447 A CA 2.091 54.098 52.037 -0.049 0.000 0.631 447 A CB -0.727 18.264 19.000 -0.015 0.000 0.814 447 A HN 0.553 nan 8.150 nan 0.000 0.446 448 E N -0.116 120.064 120.200 -0.034 0.000 2.031 448 E HA -0.189 4.194 4.350 0.054 0.000 0.193 448 E C 1.954 178.519 176.600 -0.059 0.000 0.994 448 E CA 1.348 57.739 56.400 -0.015 0.000 0.800 448 E CB -0.254 29.474 29.700 0.046 0.000 0.752 448 E HN 0.614 nan 8.360 nan 0.000 0.447 449 L N 0.560 121.701 121.223 -0.138 0.000 2.083 449 L HA -0.202 4.170 4.340 0.054 0.000 0.209 449 L C 2.636 179.410 176.870 -0.159 0.000 1.083 449 L CA 1.353 56.073 54.840 -0.201 0.000 0.752 449 L CB -0.306 41.539 42.059 -0.356 0.000 0.899 449 L HN 0.098 nan 8.230 nan 0.000 0.433 450 K N -0.178 120.126 120.400 -0.159 0.000 2.057 450 K HA -0.241 4.112 4.320 0.054 0.000 0.207 450 K C 2.062 178.609 176.600 -0.088 0.000 1.049 450 K CA 1.586 57.790 56.287 -0.138 0.000 0.931 450 K CB -0.134 32.282 32.500 -0.140 0.000 0.714 450 K HN 0.314 nan 8.250 nan 0.000 0.440 451 E N 1.114 121.273 120.200 -0.067 0.000 2.072 451 E HA -0.242 4.141 4.350 0.054 0.000 0.191 451 E C 1.982 178.559 176.600 -0.038 0.000 0.985 451 E CA 1.171 57.545 56.400 -0.043 0.000 0.801 451 E CB 0.135 29.818 29.700 -0.029 0.000 0.750 451 E HN 0.144 nan 8.360 nan 0.000 0.452 452 E N 0.834 121.010 120.200 -0.040 0.000 2.118 452 E HA -0.176 4.206 4.350 0.054 0.000 0.195 452 E C 1.886 178.465 176.600 -0.036 0.000 0.992 452 E CA 1.406 57.788 56.400 -0.029 0.000 0.804 452 E CB -0.232 29.453 29.700 -0.025 0.000 0.741 452 E HN 0.415 nan 8.360 nan 0.000 0.458 453 I N -0.086 120.452 120.570 -0.054 0.000 2.202 453 I HA -0.230 3.972 4.170 0.054 0.000 0.242 453 I C 2.174 178.269 176.117 -0.038 0.000 1.091 453 I CA 0.857 62.128 61.300 -0.049 0.000 1.368 453 I CB -0.225 37.735 38.000 -0.067 0.000 1.058 453 I HN 0.136 nan 8.210 nan 0.000 0.410 454 L N 0.056 121.254 121.223 -0.042 0.000 2.362 454 L HA -0.183 4.189 4.340 0.054 0.000 0.219 454 L C 1.915 178.769 176.870 -0.026 0.000 1.134 454 L CA 0.865 55.684 54.840 -0.034 0.000 0.807 454 L CB -0.528 41.508 42.059 -0.038 0.000 0.927 454 L HN 0.311 nan 8.230 nan 0.000 0.447 455 D N -0.260 120.125 120.400 -0.024 0.000 2.289 455 D HA -0.037 4.635 4.640 0.054 0.000 0.207 455 D C 1.397 177.689 176.300 -0.013 0.000 0.966 455 D CA 0.467 54.457 54.000 -0.017 0.000 0.868 455 D CB 0.309 41.100 40.800 -0.014 0.000 0.943 455 D HN 0.330 nan 8.370 nan 0.000 0.514 456 S N 1.038 116.729 115.700 -0.015 0.000 2.634 456 S HA -0.046 4.456 4.470 0.054 0.000 0.254 456 S C 0.859 175.452 174.600 -0.010 0.000 1.299 456 S CA -0.141 58.052 58.200 -0.011 0.000 0.974 456 S CB 0.771 63.964 63.200 -0.012 0.000 1.001 456 S HN 0.066 nan 8.310 nan 0.000 0.584 457 D N -0.687 119.709 120.400 -0.007 0.000 2.328 457 D HA 0.097 4.769 4.640 0.054 0.000 0.226 457 D C 0.340 176.636 176.300 -0.006 0.000 1.066 457 D CA -0.149 53.847 54.000 -0.006 0.000 0.861 457 D CB -0.681 40.117 40.800 -0.004 0.000 0.912 457 D HN 0.464 nan 8.370 nan 0.000 0.521 458 L N 1.613 122.832 121.223 -0.007 0.000 2.410 458 L HA 0.156 4.528 4.340 0.054 0.000 0.273 458 L C 1.133 177.998 176.870 -0.008 0.000 1.152 458 L CA -0.534 54.304 54.840 -0.004 0.000 0.855 458 L CB 0.913 42.970 42.059 -0.003 0.000 1.129 458 L HN 0.043 nan 8.230 nan 0.000 0.463 459 S N 2.107 117.803 115.700 -0.006 0.000 2.624 459 S HA 0.202 4.704 4.470 0.054 0.000 0.263 459 S C 1.138 175.728 174.600 -0.017 0.000 1.287 459 S CA -0.935 57.258 58.200 -0.012 0.000 0.990 459 S CB 1.561 64.755 63.200 -0.010 0.000 0.950 459 S HN 0.325 nan 8.310 nan 0.000 0.561 460 V N 1.721 121.617 119.914 -0.030 0.000 2.343 460 V HA -0.155 3.998 4.120 0.054 0.000 0.247 460 V C 2.786 178.856 176.094 -0.041 0.000 1.051 460 V CA 2.423 64.694 62.300 -0.047 0.000 1.036 460 V CB -1.349 30.432 31.823 -0.069 0.000 0.654 460 V HN 0.961 nan 8.190 nan 0.000 0.451 461 S N -0.776 114.906 115.700 -0.031 0.000 2.368 461 S HA -0.268 4.235 4.470 0.054 0.000 0.225 461 S C 1.974 176.585 174.600 0.018 0.000 1.030 461 S CA 1.534 59.724 58.200 -0.016 0.000 0.999 461 S CB -0.317 62.875 63.200 -0.014 0.000 0.844 461 S HN 0.649 nan 8.310 nan 0.000 0.459 462 Q N 0.568 120.379 119.800 0.019 0.000 2.096 462 Q HA -0.065 4.307 4.340 0.054 0.000 0.204 462 Q C 2.203 178.238 176.000 0.058 0.000 0.982 462 Q CA 1.210 57.035 55.803 0.036 0.000 0.850 462 Q CB -0.377 28.374 28.738 0.022 0.000 0.901 462 Q HN 0.477 nan 8.270 nan 0.000 0.422 463 L N -0.430 120.819 121.223 0.044 0.000 2.056 463 L HA -0.171 4.202 4.340 0.054 0.000 0.207 463 L C 2.338 179.286 176.870 0.130 0.000 1.078 463 L CA 0.704 55.583 54.840 0.065 0.000 0.749 463 L CB -0.402 41.674 42.059 0.028 0.000 0.901 463 L HN 0.099 nan 8.230 nan 0.000 0.433 464 V N 0.082 120.054 119.914 0.096 0.000 2.307 464 V HA -0.299 3.853 4.120 0.054 0.000 0.245 464 V C 2.576 178.876 176.094 0.343 0.000 1.045 464 V CA 1.874 64.273 62.300 0.164 0.000 1.024 464 V CB -0.495 31.302 31.823 -0.043 0.000 0.651 464 V HN 0.439 nan 8.190 nan 0.000 0.449 465 K N -0.182 120.351 120.400 0.221 0.000 2.032 465 K HA -0.215 4.138 4.320 0.054 0.000 0.209 465 K C 2.129 178.897 176.600 0.281 0.000 1.048 465 K CA 2.151 58.590 56.287 0.253 0.000 0.927 465 K CB -0.322 32.273 32.500 0.159 0.000 0.712 465 K HN 0.506 nan 8.250 nan 0.000 0.441 466 T N 0.627 115.303 114.554 0.204 0.000 2.777 466 T HA -0.083 4.300 4.350 0.054 0.000 0.266 466 T C 1.860 176.663 174.700 0.172 0.000 1.040 466 T CA 1.233 63.427 62.100 0.156 0.000 1.141 466 T CB -0.237 68.692 68.868 0.102 0.000 0.868 466 T HN 0.415 nan 8.240 nan 0.000 0.444 467 A N 0.900 123.873 122.820 0.255 0.000 1.930 467 A HA -0.070 4.282 4.320 0.054 0.000 0.217 467 A C 2.135 179.819 177.584 0.168 0.000 1.175 467 A CA 0.969 53.150 52.037 0.241 0.000 0.627 467 A CB -0.906 18.366 19.000 0.453 0.000 0.815 467 A HN 0.742 nan 8.150 nan 0.000 0.443 468 W N 0.641 122.032 121.300 0.151 0.000 2.418 468 W HA -0.071 4.623 4.660 0.056 0.000 0.292 468 W C 2.223 178.768 176.519 0.045 0.000 1.213 468 W CA 1.454 58.832 57.345 0.056 0.000 1.283 468 W CB -0.175 29.397 29.460 0.187 0.000 1.119 468 W HN 0.417 nan 8.180 nan 0.000 0.542 469 A N 0.046 122.950 122.820 0.140 0.000 1.972 469 A HA -0.228 4.124 4.320 0.054 0.000 0.219 469 A C 2.093 179.640 177.584 -0.062 0.000 1.169 469 A CA 2.216 54.287 52.037 0.056 0.000 0.635 469 A CB -1.129 17.942 19.000 0.119 0.000 0.810 469 A HN 0.308 nan 8.150 nan 0.000 0.446 470 S N -0.801 114.855 115.700 -0.075 0.000 2.348 470 S HA 0.101 4.604 4.470 0.054 0.000 0.219 470 S C 2.147 176.645 174.600 -0.170 0.000 1.033 470 S CA 1.331 59.470 58.200 -0.101 0.000 0.974 470 S CB -0.382 62.780 63.200 -0.064 0.000 0.868 470 S HN 0.766 nan 8.310 nan 0.000 0.459 471 A N 1.070 123.721 122.820 -0.283 0.000 1.970 471 A HA 0.072 4.425 4.320 0.054 0.000 0.216 471 A C 2.219 179.527 177.584 -0.460 0.000 1.170 471 A CA 1.542 53.360 52.037 -0.365 0.000 0.645 471 A CB -0.880 17.840 19.000 -0.467 0.000 0.816 471 A HN 0.748 nan 8.150 nan 0.000 0.447 472 S N 0.246 115.504 115.700 -0.738 0.000 2.537 472 S HA -0.125 4.377 4.470 0.054 0.000 0.240 472 S C 1.609 176.053 174.600 -0.259 0.000 0.981 472 S CA 1.614 59.344 58.200 -0.783 0.000 0.948 472 S CB -1.190 61.242 63.200 -1.280 0.000 0.759 472 S HN 0.734 nan 8.310 nan 0.000 0.531 473 T N -2.529 111.968 114.554 -0.095 0.000 3.088 473 T HA 0.098 4.480 4.350 0.054 0.000 0.259 473 T C 0.483 175.228 174.700 0.075 0.000 1.122 473 T CA -0.308 61.835 62.100 0.071 0.000 1.095 473 T CB -0.788 68.190 68.868 0.184 0.000 0.930 473 T HN 0.491 nan 8.240 nan 0.000 0.508 474 Y N 4.100 124.362 120.300 -0.063 0.000 2.597 474 Y HA 0.271 4.854 4.550 0.054 0.000 0.336 474 Y C 0.505 176.397 175.900 -0.014 0.000 1.216 474 Y CA -0.832 57.250 58.100 -0.030 0.000 1.463 474 Y CB 0.500 38.912 38.460 -0.081 0.000 1.303 474 Y HN 0.282 nan 8.280 nan 0.000 0.576 475 R N 3.630 123.690 120.500 -0.734 0.000 2.514 475 R HA 0.259 4.632 4.340 0.054 0.000 0.296 475 R C -0.749 175.147 176.300 -0.673 0.000 1.012 475 R CA -0.759 55.076 56.100 -0.441 0.000 0.897 475 R CB 1.241 31.414 30.300 -0.213 0.000 1.184 475 R HN 0.645 nan 8.270 nan 0.000 0.440 476 D N 1.559 121.808 120.400 -0.252 0.000 2.350 476 D HA -0.144 4.528 4.640 0.054 0.000 0.216 476 D C 1.450 177.731 176.300 -0.032 0.000 0.968 476 D CA 1.793 55.783 54.000 -0.016 0.000 0.894 476 D CB 0.505 41.435 40.800 0.216 0.000 0.909 476 D HN 0.656 nan 8.370 nan 0.000 0.520 477 S N 0.370 116.029 115.700 -0.069 0.000 2.351 477 S HA -0.216 4.287 4.470 0.054 0.000 0.220 477 S C 1.400 175.997 174.600 -0.005 0.000 1.035 477 S CA 1.494 59.679 58.200 -0.026 0.000 1.031 477 S CB -0.365 62.813 63.200 -0.037 0.000 0.928 477 S HN 0.392 nan 8.310 nan 0.000 0.433 478 D N -0.417 119.971 120.400 -0.020 0.000 2.479 478 D HA 0.190 4.862 4.640 0.054 0.000 0.218 478 D C -0.097 176.173 176.300 -0.049 0.000 1.177 478 D CA -0.260 53.746 54.000 0.010 0.000 0.830 478 D CB -0.157 40.738 40.800 0.159 0.000 1.014 478 D HN 0.188 nan 8.370 nan 0.000 0.503 479 K N 0.399 120.727 120.400 -0.121 0.000 3.069 479 K HA -0.215 4.137 4.320 0.054 0.000 0.267 479 K C -0.190 176.397 176.600 -0.022 0.000 1.082 479 K CA 0.485 56.728 56.287 -0.073 0.000 0.782 479 K CB -1.964 30.548 32.500 0.019 0.000 1.230 479 K HN 0.495 nan 8.250 nan 0.000 0.488 480 R N 0.173 120.588 120.500 -0.143 0.000 2.573 480 R HA 0.576 4.948 4.340 0.054 0.000 0.272 480 R C 0.947 177.228 176.300 -0.030 0.000 1.009 480 R CA 0.150 56.223 56.100 -0.044 0.000 1.059 480 R CB 1.185 31.423 30.300 -0.104 0.000 1.112 480 R HN 0.344 nan 8.270 nan 0.000 0.517 481 G N -0.371 108.516 108.800 0.145 0.000 2.796 481 G HA2 0.213 4.205 3.960 0.054 0.000 0.571 481 G HA3 0.213 4.205 3.960 0.054 0.000 0.571 481 G C -0.124 174.944 174.900 0.280 0.000 1.370 481 G CA -0.532 44.703 45.100 0.225 0.000 0.856 481 G HN 1.112 nan 8.290 nan 0.000 0.538 482 G N -2.624 106.286 108.800 0.183 0.000 2.423 482 G HA2 0.537 4.529 3.960 0.054 0.000 0.684 482 G HA3 0.537 4.529 3.960 0.054 0.000 0.684 482 G C 0.834 175.723 174.900 -0.018 0.000 1.309 482 G CA 0.857 46.003 45.100 0.077 0.000 0.950 482 G HN 2.401 nan 8.290 nan 0.000 0.587 483 A N -0.218 122.544 122.820 -0.098 0.000 2.066 483 A HA 0.236 4.588 4.320 0.054 0.000 0.218 483 A C 1.315 178.859 177.584 -0.066 0.000 1.157 483 A CA 1.687 53.668 52.037 -0.094 0.000 0.670 483 A CB -0.343 18.584 19.000 -0.121 0.000 0.804 483 A HN 1.235 nan 8.150 nan 0.000 0.453 484 N N -0.027 118.633 118.700 -0.067 0.000 2.468 484 N HA 0.332 5.104 4.740 0.054 0.000 0.265 484 N C 1.033 176.525 175.510 -0.031 0.000 1.199 484 N CA 1.498 54.516 53.050 -0.052 0.000 0.928 484 N CB 0.501 38.953 38.487 -0.059 0.000 1.059 484 N HN 0.581 nan 8.380 nan 0.000 0.467 485 G N 2.609 111.384 108.800 -0.042 0.000 2.259 485 G HA2 -0.122 3.870 3.960 0.054 0.000 0.217 485 G HA3 -0.122 3.870 3.960 0.054 0.000 0.217 485 G C 0.436 175.299 174.900 -0.063 0.000 1.001 485 G CA 0.323 45.391 45.100 -0.054 0.000 0.627 485 G HN 1.637 nan 8.290 nan 0.000 0.501 486 A N -0.477 122.307 122.820 -0.061 0.000 2.783 486 A HA -0.271 4.081 4.320 0.054 0.000 0.292 486 A C 1.540 179.056 177.584 -0.114 0.000 1.495 486 A CA 2.257 54.251 52.037 -0.070 0.000 0.787 486 A CB -1.741 17.232 19.000 -0.045 0.000 1.017 486 A HN 1.001 nan 8.150 nan 0.000 0.516 487 R N -1.228 119.177 120.500 -0.157 0.000 2.285 487 R HA -0.066 4.306 4.340 0.054 0.000 0.213 487 R C 2.009 178.133 176.300 -0.294 0.000 1.068 487 R CA 1.193 57.134 56.100 -0.265 0.000 1.004 487 R CB -0.301 29.749 30.300 -0.417 0.000 0.873 487 R HN 0.765 nan 8.270 nan 0.000 0.467 488 L N 2.038 123.129 121.223 -0.220 0.000 2.127 488 L HA -0.207 4.165 4.340 0.054 0.000 0.211 488 L C 2.200 178.948 176.870 -0.204 0.000 1.089 488 L CA 1.770 56.476 54.840 -0.224 0.000 0.757 488 L CB -0.309 41.671 42.059 -0.132 0.000 0.899 488 L HN 0.094 nan 8.230 nan 0.000 0.434 489 R N -0.857 119.549 120.500 -0.156 0.000 2.299 489 R HA 0.106 4.478 4.340 0.054 0.000 0.197 489 R C 0.183 176.400 176.300 -0.138 0.000 0.971 489 R CA 0.175 56.202 56.100 -0.121 0.000 1.030 489 R CB -0.414 29.838 30.300 -0.080 0.000 0.932 489 R HN 0.376 nan 8.270 nan 0.000 0.477 490 L N 0.883 121.990 121.223 -0.193 0.000 2.335 490 L HA 0.373 4.746 4.340 0.054 0.000 0.268 490 L C 0.276 177.004 176.870 -0.237 0.000 1.016 490 L CA -1.384 53.342 54.840 -0.190 0.000 0.805 490 L CB 1.070 43.007 42.059 -0.203 0.000 1.311 490 L HN 0.006 nan 8.230 nan 0.000 0.456 491 E N 1.980 122.072 120.200 -0.181 0.000 2.383 491 E HA 0.092 4.475 4.350 0.054 0.000 0.264 491 E C -1.792 174.676 176.600 -0.220 0.000 1.050 491 E CA -1.336 54.967 56.400 -0.163 0.000 0.896 491 E CB 1.023 30.679 29.700 -0.073 0.000 0.982 491 E HN 0.343 nan 8.360 nan 0.000 0.424 492 P HA 0.048 nan 4.420 nan 0.000 0.252 492 P C 0.743 177.671 177.300 -0.620 0.000 1.218 492 P CA 0.440 63.428 63.100 -0.186 0.000 0.807 492 P CB 0.591 32.365 31.700 0.124 0.000 1.072 493 Q N 1.530 120.721 119.800 -1.015 0.000 2.112 493 Q HA -0.187 4.185 4.340 0.054 0.000 0.206 493 Q C 2.187 177.811 176.000 -0.627 0.000 0.987 493 Q CA 1.972 56.934 55.803 -1.402 0.000 0.858 493 Q CB -0.547 27.544 28.738 -1.079 0.000 0.905 493 Q HN 0.460 nan 8.270 nan 0.000 0.420 494 K N -0.035 120.144 120.400 -0.369 0.000 2.280 494 K HA -0.108 4.244 4.320 0.054 0.000 0.202 494 K C 0.914 177.463 176.600 -0.085 0.000 1.047 494 K CA 1.354 57.535 56.287 -0.177 0.000 0.942 494 K CB 0.058 32.479 32.500 -0.132 0.000 0.739 494 K HN 0.073 nan 8.250 nan 0.000 0.457 495 N N -0.232 118.421 118.700 -0.078 0.000 2.204 495 N HA 0.043 4.815 4.740 0.054 0.000 0.219 495 N C -0.962 174.669 175.510 0.202 0.000 1.151 495 N CA -0.137 52.945 53.050 0.053 0.000 0.867 495 N CB 0.261 38.781 38.487 0.056 0.000 1.043 495 N HN 0.165 nan 8.380 nan 0.000 0.516 496 W N 2.201 123.511 121.300 0.017 0.000 2.216 496 W HA 0.122 4.813 4.660 0.052 0.000 0.326 496 W C 1.878 178.403 176.519 0.010 0.000 1.319 496 W CA -0.894 56.457 57.345 0.011 0.000 1.213 496 W CB 0.312 29.767 29.460 -0.009 0.000 1.171 496 W HN 0.210 nan 8.180 nan 0.000 0.557 497 E N 1.738 122.071 120.200 0.221 0.000 2.070 497 E HA -0.247 4.136 4.350 0.054 0.000 0.197 497 E C 1.870 178.538 176.600 0.113 0.000 1.004 497 E CA 1.824 58.329 56.400 0.175 0.000 0.805 497 E CB 0.049 29.854 29.700 0.174 0.000 0.744 497 E HN 0.281 nan 8.360 nan 0.000 0.451 498 V N 1.622 121.419 119.914 -0.195 0.000 2.568 498 V HA -0.194 3.959 4.120 0.054 0.000 0.253 498 V C 1.223 177.307 176.094 -0.015 0.000 1.072 498 V CA 1.947 63.918 62.300 -0.549 0.000 1.084 498 V CB -0.456 30.871 31.823 -0.827 0.000 0.676 498 V HN 0.320 nan 8.190 nan 0.000 0.469 499 N N 0.294 119.073 118.700 0.133 0.000 2.398 499 N HA 0.041 4.813 4.740 0.054 0.000 0.188 499 N C 0.187 175.777 175.510 0.135 0.000 1.122 499 N CA 0.285 53.426 53.050 0.152 0.000 0.866 499 N CB -0.090 38.481 38.487 0.140 0.000 0.970 499 N HN 0.656 nan 8.380 nan 0.000 0.462 500 E N -0.333 119.963 120.200 0.161 0.000 2.369 500 E HA -0.198 4.184 4.350 0.054 0.000 0.165 500 E C -1.849 174.792 176.600 0.070 0.000 1.622 500 E CA -0.363 56.100 56.400 0.104 0.000 0.660 500 E CB -0.705 29.026 29.700 0.051 0.000 1.085 500 E HN 0.268 nan 8.360 nan 0.000 0.346 501 P HA -0.292 nan 4.420 nan 0.000 0.221 501 P C 1.130 178.447 177.300 0.029 0.000 1.160 501 P CA 1.699 64.827 63.100 0.047 0.000 0.933 501 P CB 0.157 31.890 31.700 0.054 0.000 0.793 502 E N -1.138 119.079 120.200 0.028 0.000 2.085 502 E HA -0.226 4.156 4.350 0.054 0.000 0.194 502 E C 2.185 178.793 176.600 0.014 0.000 0.994 502 E CA 0.945 57.355 56.400 0.017 0.000 0.801 502 E CB -0.360 29.348 29.700 0.015 0.000 0.743 502 E HN 0.343 nan 8.360 nan 0.000 0.453 503 Q N 0.423 120.232 119.800 0.015 0.000 2.079 503 Q HA -0.146 4.226 4.340 0.054 0.000 0.200 503 Q C 2.386 178.398 176.000 0.020 0.000 0.974 503 Q CA 0.771 56.582 55.803 0.014 0.000 0.840 503 Q CB -0.540 28.206 28.738 0.012 0.000 0.898 503 Q HN 0.237 nan 8.270 nan 0.000 0.430 504 L N 1.616 122.855 121.223 0.026 0.000 2.012 504 L HA -0.208 4.165 4.340 0.054 0.000 0.210 504 L C 2.314 179.190 176.870 0.010 0.000 1.073 504 L CA 2.226 57.080 54.840 0.023 0.000 0.748 504 L CB -0.722 41.350 42.059 0.021 0.000 0.891 504 L HN 0.128 nan 8.230 nan 0.000 0.431 505 E N -0.782 119.422 120.200 0.006 0.000 2.097 505 E HA -0.211 4.171 4.350 0.054 0.000 0.196 505 E C 1.996 178.597 176.600 0.002 0.000 1.000 505 E CA 2.170 58.570 56.400 0.000 0.000 0.804 505 E CB -0.581 29.120 29.700 0.001 0.000 0.740 505 E HN 0.568 nan 8.360 nan 0.000 0.454 506 T N -0.129 114.428 114.554 0.005 0.000 2.684 506 T HA -0.139 4.243 4.350 0.054 0.000 0.267 506 T C 1.887 176.590 174.700 0.005 0.000 1.036 506 T CA 1.665 63.768 62.100 0.005 0.000 1.148 506 T CB -0.413 68.458 68.868 0.006 0.000 0.863 506 T HN 0.045 nan 8.240 nan 0.000 0.436 507 V N 1.568 121.488 119.914 0.009 0.000 2.295 507 V HA -0.113 4.040 4.120 0.054 0.000 0.246 507 V C 2.519 178.617 176.094 0.006 0.000 1.049 507 V CA 1.493 63.800 62.300 0.011 0.000 1.024 507 V CB -0.762 31.074 31.823 0.022 0.000 0.648 507 V HN 0.432 nan 8.190 nan 0.000 0.447 508 L N 0.492 121.717 121.223 0.003 0.000 2.083 508 L HA -0.085 4.288 4.340 0.054 0.000 0.209 508 L C 2.680 179.547 176.870 -0.005 0.000 1.083 508 L CA 1.683 56.521 54.840 -0.004 0.000 0.752 508 L CB -1.243 40.809 42.059 -0.011 0.000 0.899 508 L HN 0.480 nan 8.230 nan 0.000 0.433 509 G N -0.552 108.246 108.800 -0.003 0.000 2.446 509 G HA2 -0.251 3.742 3.960 0.054 0.000 0.217 509 G HA3 -0.251 3.742 3.960 0.054 0.000 0.217 509 G C 1.590 176.488 174.900 -0.002 0.000 1.168 509 G CA 1.367 46.465 45.100 -0.003 0.000 0.771 509 G HN 0.279 nan 8.290 nan 0.000 0.551 510 T N 1.320 115.873 114.554 -0.001 0.000 2.737 510 T HA -0.009 4.373 4.350 0.054 0.000 0.265 510 T C 2.432 177.130 174.700 -0.004 0.000 1.038 510 T CA 0.891 62.990 62.100 -0.002 0.000 1.144 510 T CB -0.205 68.662 68.868 -0.002 0.000 0.866 510 T HN 0.142 nan 8.240 nan 0.000 0.434 511 L N 0.720 121.939 121.223 -0.006 0.000 2.141 511 L HA -0.066 4.306 4.340 0.054 0.000 0.209 511 L C 2.754 179.619 176.870 -0.010 0.000 1.094 511 L CA 1.324 56.157 54.840 -0.012 0.000 0.763 511 L CB -0.512 41.540 42.059 -0.011 0.000 0.908 511 L HN 0.372 nan 8.230 nan 0.000 0.437 512 E N 0.829 121.026 120.200 -0.006 0.000 2.077 512 E HA -0.231 4.152 4.350 0.054 0.000 0.193 512 E C 1.799 178.401 176.600 0.003 0.000 0.989 512 E CA 1.489 57.887 56.400 -0.003 0.000 0.800 512 E CB 0.007 29.705 29.700 -0.004 0.000 0.746 512 E HN 0.554 nan 8.360 nan 0.000 0.452 513 N N 0.017 118.719 118.700 0.003 0.000 2.244 513 N HA -0.105 4.667 4.740 0.054 0.000 0.183 513 N C 1.922 177.442 175.510 0.017 0.000 1.016 513 N CA 0.905 53.960 53.050 0.008 0.000 0.866 513 N CB -0.009 38.481 38.487 0.005 0.000 0.980 513 N HN 0.214 nan 8.380 nan 0.000 0.430 514 I N 1.014 121.592 120.570 0.012 0.000 2.315 514 I HA -0.258 3.945 4.170 0.054 0.000 0.248 514 I C 2.710 178.856 176.117 0.049 0.000 1.117 514 I CA 0.985 62.298 61.300 0.020 0.000 1.404 514 I CB -0.229 37.764 38.000 -0.012 0.000 1.071 514 I HN 0.259 nan 8.210 nan 0.000 0.419 515 Q N 0.599 120.416 119.800 0.028 0.000 2.050 515 Q HA -0.197 4.175 4.340 0.054 0.000 0.202 515 Q C 2.138 178.189 176.000 0.084 0.000 0.980 515 Q CA 2.327 58.160 55.803 0.050 0.000 0.840 515 Q CB -0.015 28.730 28.738 0.011 0.000 0.898 515 Q HN 0.408 nan 8.270 nan 0.000 0.424 516 T N 0.964 115.544 114.554 0.043 0.000 2.652 516 T HA -0.219 4.163 4.350 0.054 0.000 0.267 516 T C 1.596 176.316 174.700 0.034 0.000 1.039 516 T CA 1.677 63.794 62.100 0.027 0.000 1.153 516 T CB -0.309 68.566 68.868 0.012 0.000 0.863 516 T HN 0.455 nan 8.240 nan 0.000 0.428 517 E N -0.199 120.029 120.200 0.047 0.000 2.085 517 E HA -0.158 4.224 4.350 0.054 0.000 0.194 517 E C 1.951 178.586 176.600 0.058 0.000 0.994 517 E CA 1.010 57.435 56.400 0.042 0.000 0.801 517 E CB -0.220 29.509 29.700 0.048 0.000 0.743 517 E HN 0.512 nan 8.360 nan 0.000 0.453 518 F N 1.658 121.587 119.950 -0.036 0.000 2.084 518 F HA -0.118 4.441 4.527 0.053 0.000 0.296 518 F C 1.765 177.536 175.800 -0.048 0.000 1.111 518 F CA 2.036 60.012 58.000 -0.039 0.000 1.224 518 F CB -0.418 38.556 39.000 -0.043 0.000 0.991 518 F HN 0.022 nan 8.300 nan 0.000 0.471 519 N N -0.108 118.592 118.700 -0.001 0.000 2.205 519 N HA -0.204 4.568 4.740 0.054 0.000 0.186 519 N C 1.095 176.504 175.510 -0.167 0.000 1.015 519 N CA 1.248 54.226 53.050 -0.119 0.000 0.862 519 N CB -0.187 38.280 38.487 -0.033 0.000 0.986 519 N HN 0.317 nan 8.380 nan 0.000 0.429 520 D N -0.033 120.298 120.400 -0.115 0.000 2.162 520 D HA -0.077 4.595 4.640 0.054 0.000 0.203 520 D C 2.032 178.253 176.300 -0.132 0.000 0.967 520 D CA 0.866 54.807 54.000 -0.098 0.000 0.840 520 D CB -0.353 40.414 40.800 -0.056 0.000 0.972 520 D HN 0.228 nan 8.370 nan 0.000 0.482 521 S N 0.159 115.754 115.700 -0.174 0.000 2.555 521 S HA -0.013 4.490 4.470 0.054 0.000 0.230 521 S C 1.021 175.477 174.600 -0.240 0.000 0.978 521 S CA 0.029 58.121 58.200 -0.180 0.000 0.934 521 S CB 0.087 63.188 63.200 -0.165 0.000 0.766 521 S HN -0.054 nan 8.310 nan 0.000 0.533 522 R N 0.971 121.283 120.500 -0.312 0.000 2.500 522 R HA 0.581 4.953 4.340 0.054 0.000 0.277 522 R C 0.281 176.485 176.300 -0.160 0.000 1.026 522 R CA -0.229 55.696 56.100 -0.290 0.000 1.058 522 R CB 0.929 30.998 30.300 -0.384 0.000 1.078 522 R HN 0.248 nan 8.270 nan 0.000 0.509 523 S N -0.239 115.392 115.700 -0.116 0.000 2.684 523 S HA -0.044 4.458 4.470 0.054 0.000 0.268 523 S C 0.471 175.043 174.600 -0.047 0.000 1.075 523 S CA -0.242 57.916 58.200 -0.070 0.000 1.184 523 S CB 0.480 63.646 63.200 -0.057 0.000 1.129 523 S HN 0.709 nan 8.310 nan 0.000 0.630 524 D N 1.600 121.971 120.400 -0.047 0.000 2.325 524 D HA 0.211 4.883 4.640 0.054 0.000 0.225 524 D C 1.266 177.566 176.300 0.000 0.000 1.096 524 D CA 0.733 54.722 54.000 -0.018 0.000 0.844 524 D CB -0.240 40.554 40.800 -0.010 0.000 0.925 524 D HN 0.406 nan 8.370 nan 0.000 0.513 525 G N 0.062 108.858 108.800 -0.007 0.000 2.159 525 G HA2 -0.260 3.733 3.960 0.054 0.000 0.256 525 G HA3 -0.260 3.733 3.960 0.054 0.000 0.256 525 G C 0.349 175.285 174.900 0.060 0.000 0.977 525 G CA 0.419 45.535 45.100 0.026 0.000 0.652 525 G HN 0.455 nan 8.290 nan 0.000 0.531 526 T N 0.851 115.422 114.554 0.030 0.000 2.889 526 T HA 0.628 5.010 4.350 0.054 0.000 0.291 526 T C 0.167 174.874 174.700 0.012 0.000 0.995 526 T CA 0.218 62.365 62.100 0.079 0.000 1.092 526 T CB 1.562 70.486 68.868 0.092 0.000 0.954 526 T HN 0.453 nan 8.240 nan 0.000 0.506 527 Q N 0.622 120.423 119.800 0.001 0.000 2.462 527 Q HA 0.707 5.079 4.340 0.054 0.000 0.285 527 Q C -1.640 174.265 176.000 -0.159 0.000 1.035 527 Q CA -0.866 54.797 55.803 -0.234 0.000 0.799 527 Q CB 3.060 31.279 28.738 -0.864 0.000 1.452 527 Q HN 0.434 nan 8.270 nan 0.000 0.404 528 V N 1.061 120.930 119.914 -0.075 0.000 2.735 528 V HA 0.620 4.773 4.120 0.054 0.000 0.310 528 V C -0.739 175.309 176.094 -0.076 0.000 1.061 528 V CA -0.278 61.994 62.300 -0.047 0.000 0.913 528 V CB 2.129 33.862 31.823 -0.150 0.000 1.005 528 V HN 0.933 nan 8.190 nan 0.000 0.428 529 S N 5.434 121.147 115.700 0.020 0.000 2.646 529 S HA 0.369 4.872 4.470 0.054 0.000 0.276 529 S C 0.670 175.282 174.600 0.020 0.000 1.222 529 S CA -0.375 57.852 58.200 0.045 0.000 1.014 529 S CB 1.541 64.816 63.200 0.124 0.000 0.991 529 S HN 0.863 nan 8.310 nan 0.000 0.533 530 L N 1.705 122.936 121.223 0.012 0.000 2.217 530 L HA 0.175 4.547 4.340 0.054 0.000 0.211 530 L C 2.484 179.359 176.870 0.010 0.000 1.107 530 L CA 1.998 56.839 54.840 0.001 0.000 0.783 530 L CB -1.463 40.593 42.059 -0.005 0.000 0.919 530 L HN 0.953 nan 8.230 nan 0.000 0.442 531 A N -0.766 122.064 122.820 0.017 0.000 1.908 531 A HA -0.226 4.127 4.320 0.054 0.000 0.218 531 A C 2.037 179.649 177.584 0.048 0.000 1.181 531 A CA 1.995 54.041 52.037 0.015 0.000 0.627 531 A CB -0.740 18.263 19.000 0.005 0.000 0.818 531 A HN 0.481 nan 8.150 nan 0.000 0.445 532 D N -0.155 120.295 120.400 0.083 0.000 2.149 532 D HA -0.054 4.619 4.640 0.054 0.000 0.201 532 D C 1.972 178.356 176.300 0.139 0.000 0.972 532 D CA 0.771 54.882 54.000 0.185 0.000 0.835 532 D CB -0.266 40.680 40.800 0.242 0.000 0.966 532 D HN 0.435 nan 8.370 nan 0.000 0.476 533 L N 0.427 121.669 121.223 0.033 0.000 2.083 533 L HA -0.132 4.240 4.340 0.054 0.000 0.209 533 L C 2.442 179.306 176.870 -0.010 0.000 1.083 533 L CA 0.631 55.449 54.840 -0.036 0.000 0.752 533 L CB -0.273 41.755 42.059 -0.053 0.000 0.899 533 L HN 0.044 nan 8.230 nan 0.000 0.433 534 I N -0.913 119.671 120.570 0.025 0.000 2.179 534 I HA -0.265 3.938 4.170 0.054 0.000 0.242 534 I C 2.430 178.598 176.117 0.085 0.000 1.088 534 I CA 1.136 62.462 61.300 0.044 0.000 1.357 534 I CB -0.262 37.758 38.000 0.033 0.000 1.051 534 I HN 0.003 nan 8.210 nan 0.000 0.409 535 V N 0.530 120.510 119.914 0.110 0.000 2.358 535 V HA -0.247 3.905 4.120 0.054 0.000 0.246 535 V C 2.343 178.542 176.094 0.175 0.000 1.047 535 V CA 1.409 63.815 62.300 0.176 0.000 1.035 535 V CB -0.474 31.479 31.823 0.215 0.000 0.658 535 V HN 0.342 nan 8.190 nan 0.000 0.452 536 L N 1.330 122.560 121.223 0.011 0.000 2.083 536 L HA -0.003 4.369 4.340 0.054 0.000 0.209 536 L C 2.327 179.116 176.870 -0.136 0.000 1.083 536 L CA 2.316 56.962 54.840 -0.324 0.000 0.752 536 L CB -1.220 40.465 42.059 -0.623 0.000 0.899 536 L HN 0.275 nan 8.230 nan 0.000 0.433 537 G N -1.248 107.522 108.800 -0.050 0.000 2.418 537 G HA2 -0.185 3.807 3.960 0.054 0.000 0.217 537 G HA3 -0.185 3.807 3.960 0.054 0.000 0.217 537 G C 1.517 176.446 174.900 0.049 0.000 1.158 537 G CA 0.548 45.639 45.100 -0.015 0.000 0.771 537 G HN 0.572 nan 8.290 nan 0.000 0.545 538 G N 0.998 109.895 108.800 0.162 0.000 2.421 538 G HA2 -0.237 3.756 3.960 0.054 0.000 0.216 538 G HA3 -0.237 3.756 3.960 0.054 0.000 0.216 538 G C 1.760 176.780 174.900 0.200 0.000 1.171 538 G CA 1.126 46.408 45.100 0.304 0.000 0.775 538 G HN 0.395 nan 8.290 nan 0.000 0.543 539 N N 1.262 120.118 118.700 0.260 0.000 2.069 539 N HA -0.063 4.709 4.740 0.054 0.000 0.191 539 N C 2.470 177.980 175.510 -0.000 0.000 1.031 539 N CA 1.426 54.578 53.050 0.171 0.000 0.852 539 N CB -0.605 37.983 38.487 0.170 0.000 1.018 539 N HN 0.305 nan 8.380 nan 0.000 0.423 540 A N 0.666 123.467 122.820 -0.033 0.000 1.908 540 A HA -0.031 4.321 4.320 0.054 0.000 0.218 540 A C 2.313 179.856 177.584 -0.069 0.000 1.181 540 A CA 2.087 54.087 52.037 -0.061 0.000 0.627 540 A CB -1.009 17.946 19.000 -0.076 0.000 0.818 540 A HN 0.332 nan 8.150 nan 0.000 0.445 541 A N -0.690 122.086 122.820 -0.074 0.000 1.902 541 A HA 0.011 4.363 4.320 0.054 0.000 0.217 541 A C 2.237 179.727 177.584 -0.156 0.000 1.181 541 A CA 1.782 53.759 52.037 -0.101 0.000 0.623 541 A CB -0.914 18.032 19.000 -0.090 0.000 0.818 541 A HN 0.398 nan 8.150 nan 0.000 0.443 542 V N 0.285 120.061 119.914 -0.230 0.000 2.343 542 V HA -0.265 3.887 4.120 0.054 0.000 0.247 542 V C 2.369 178.369 176.094 -0.157 0.000 1.051 542 V CA 2.262 64.398 62.300 -0.273 0.000 1.036 542 V CB -0.901 30.656 31.823 -0.443 0.000 0.654 542 V HN 0.653 nan 8.190 nan 0.000 0.451 543 E N -0.262 119.873 120.200 -0.108 0.000 2.153 543 E HA -0.304 4.079 4.350 0.054 0.000 0.194 543 E C 2.214 178.780 176.600 -0.057 0.000 0.988 543 E CA 1.339 57.701 56.400 -0.064 0.000 0.811 543 E CB -0.133 29.543 29.700 -0.042 0.000 0.746 543 E HN 0.530 nan 8.360 nan 0.000 0.466 544 Q N 1.032 120.791 119.800 -0.069 0.000 2.046 544 Q HA -0.095 4.277 4.340 0.054 0.000 0.200 544 Q C 2.026 177.989 176.000 -0.062 0.000 0.975 544 Q CA 1.857 57.625 55.803 -0.058 0.000 0.836 544 Q CB -0.386 28.316 28.738 -0.060 0.000 0.896 544 Q HN 0.229 nan 8.270 nan 0.000 0.428 545 A N 0.345 123.108 122.820 -0.095 0.000 1.940 545 A HA -0.091 4.262 4.320 0.054 0.000 0.219 545 A C 2.276 179.814 177.584 -0.075 0.000 1.176 545 A CA 2.004 53.976 52.037 -0.108 0.000 0.631 545 A CB -1.162 17.730 19.000 -0.181 0.000 0.814 545 A HN 0.527 nan 8.150 nan 0.000 0.446 546 A N -0.248 122.534 122.820 -0.064 0.000 1.898 546 A HA 0.212 4.564 4.320 0.054 0.000 0.216 546 A C 2.505 180.137 177.584 0.079 0.000 1.181 546 A CA 1.922 53.968 52.037 0.015 0.000 0.620 546 A CB -0.993 18.002 19.000 -0.009 0.000 0.819 546 A HN 1.051 nan 8.150 nan 0.000 0.442 547 A N 0.531 123.364 122.820 0.021 0.000 1.902 547 A HA -0.208 4.144 4.320 0.054 0.000 0.217 547 A C 1.819 179.400 177.584 -0.007 0.000 1.181 547 A CA 1.798 53.840 52.037 0.008 0.000 0.623 547 A CB -0.677 18.317 19.000 -0.010 0.000 0.818 547 A HN 0.534 nan 8.150 nan 0.000 0.443 548 N N 0.362 119.055 118.700 -0.012 0.000 2.364 548 N HA -0.071 4.702 4.740 0.054 0.000 0.183 548 N C 1.361 176.866 175.510 -0.009 0.000 1.022 548 N CA 1.321 54.361 53.050 -0.018 0.000 0.883 548 N CB -0.388 38.084 38.487 -0.026 0.000 0.965 548 N HN 0.510 nan 8.380 nan 0.000 0.438 549 A N -0.658 122.177 122.820 0.025 0.000 2.308 549 A HA 0.500 4.852 4.320 0.054 0.000 0.217 549 A C 1.369 178.892 177.584 -0.103 0.000 1.216 549 A CA 0.520 52.589 52.037 0.054 0.000 0.864 549 A CB -0.079 19.046 19.000 0.208 0.000 0.902 549 A HN 0.255 nan 8.150 nan 0.000 0.499 550 G N -1.904 106.808 108.800 -0.146 0.000 2.141 550 G HA2 -0.257 3.735 3.960 0.054 0.000 0.231 550 G HA3 -0.257 3.735 3.960 0.054 0.000 0.231 550 G C -0.239 174.389 174.900 -0.454 0.000 0.984 550 G CA 0.250 45.166 45.100 -0.306 0.000 0.660 550 G HN 0.457 nan 8.290 nan 0.000 0.525 551 Y N 0.301 120.604 120.300 0.004 0.000 2.352 551 Y HA 0.575 5.157 4.550 0.054 0.000 0.339 551 Y C -0.064 175.836 175.900 0.001 0.000 0.992 551 Y CA -1.218 56.895 58.100 0.022 0.000 1.100 551 Y CB 1.822 40.301 38.460 0.033 0.000 1.192 551 Y HN 0.065 nan 8.280 nan 0.000 0.458 552 D N 3.665 124.156 120.400 0.152 0.000 2.412 552 D HA 0.372 5.044 4.640 0.054 0.000 0.224 552 D C -1.207 175.139 176.300 0.076 0.000 1.093 552 D CA -0.250 53.800 54.000 0.083 0.000 0.850 552 D CB 0.684 41.520 40.800 0.061 0.000 1.046 552 D HN 0.364 nan 8.370 nan 0.000 0.507 553 V N 1.078 121.008 119.914 0.026 0.000 2.735 553 V HA 0.690 4.843 4.120 0.054 0.000 0.310 553 V C -0.635 175.455 176.094 -0.007 0.000 1.061 553 V CA -0.802 61.483 62.300 -0.025 0.000 0.913 553 V CB 2.249 33.994 31.823 -0.130 0.000 1.005 553 V HN 0.272 nan 8.190 nan 0.000 0.428 554 E N 4.520 124.724 120.200 0.007 0.000 2.114 554 E HA 0.528 4.911 4.350 0.054 0.000 0.266 554 E C -0.710 175.913 176.600 0.038 0.000 0.896 554 E CA -0.317 56.099 56.400 0.025 0.000 0.750 554 E CB 2.321 32.042 29.700 0.037 0.000 1.121 554 E HN 0.770 nan 8.360 nan 0.000 0.413 555 I N 4.245 124.848 120.570 0.055 0.000 2.371 555 I HA 0.158 4.361 4.170 0.054 0.000 0.290 555 I C -1.963 174.230 176.117 0.127 0.000 1.028 555 I CA -1.917 59.441 61.300 0.096 0.000 1.345 555 I CB 0.529 38.613 38.000 0.140 0.000 1.407 555 I HN 0.055 nan 8.210 nan 0.000 0.501 556 P HA 0.034 nan 4.420 nan 0.000 0.265 556 P C -1.014 176.389 177.300 0.172 0.000 1.193 556 P CA 0.248 63.411 63.100 0.105 0.000 0.765 556 P CB 0.258 31.989 31.700 0.051 0.000 0.823 557 F N 2.458 122.412 119.950 0.006 0.000 2.569 557 F HA 0.421 4.980 4.527 0.054 0.000 0.312 557 F C -0.831 174.961 175.800 -0.013 0.000 1.109 557 F CA -0.611 57.388 58.000 -0.002 0.000 0.919 557 F CB 1.942 40.945 39.000 0.006 0.000 1.211 557 F HN 0.135 nan 8.300 nan 0.000 0.446 558 E N 7.377 126.979 120.200 -0.998 0.000 2.244 558 E HA 0.331 4.714 4.350 0.054 0.000 0.260 558 E C -2.693 173.326 176.600 -0.969 0.000 0.884 558 E CA -1.809 54.164 56.400 -0.713 0.000 0.777 558 E CB 2.181 31.656 29.700 -0.375 0.000 1.197 558 E HN 0.352 nan 8.360 nan 0.000 0.416 559 P HA 0.329 nan 4.420 nan 0.000 0.279 559 P C 0.539 177.740 177.300 -0.165 0.000 1.282 559 P CA 0.064 62.996 63.100 -0.281 0.000 0.788 559 P CB 1.149 32.879 31.700 0.049 0.000 1.139 560 G N -0.984 107.785 108.800 -0.052 0.000 2.421 560 G HA2 -0.137 3.855 3.960 0.054 0.000 0.188 560 G HA3 -0.137 3.855 3.960 0.054 0.000 0.188 560 G C 0.237 175.108 174.900 -0.048 0.000 1.001 560 G CA -0.523 44.545 45.100 -0.054 0.000 0.693 560 G HN 0.525 nan 8.290 nan 0.000 0.479 561 R N 0.671 121.145 120.500 -0.043 0.000 2.679 561 R HA 0.470 4.842 4.340 0.054 0.000 0.268 561 R C 0.739 177.047 176.300 0.014 0.000 1.044 561 R CA 0.611 56.691 56.100 -0.034 0.000 1.105 561 R CB 1.194 31.475 30.300 -0.032 0.000 0.989 561 R HN 0.607 nan 8.270 nan 0.000 0.447 562 V N -1.662 118.247 119.914 -0.009 0.000 3.096 562 V HA 0.412 4.564 4.120 0.054 0.000 0.319 562 V C -0.551 175.542 176.094 -0.001 0.000 1.103 562 V CA -1.094 61.214 62.300 0.014 0.000 1.016 562 V CB 2.248 34.044 31.823 -0.045 0.000 1.090 562 V HN 0.540 nan 8.190 nan 0.000 0.449 563 D N 2.324 122.736 120.400 0.019 0.000 2.443 563 D HA 0.614 5.286 4.640 0.054 0.000 0.221 563 D C 0.315 176.603 176.300 -0.019 0.000 1.097 563 D CA 0.256 54.257 54.000 0.002 0.000 0.865 563 D CB 1.422 42.237 40.800 0.026 0.000 1.034 563 D HN 1.039 nan 8.370 nan 0.000 0.511 564 A N 1.953 124.742 122.820 -0.052 0.000 2.386 564 A HA 0.622 4.974 4.320 0.054 0.000 0.248 564 A C 0.825 178.473 177.584 0.106 0.000 1.082 564 A CA -0.153 51.861 52.037 -0.038 0.000 0.789 564 A CB 0.694 19.652 19.000 -0.070 0.000 1.025 564 A HN 0.499 nan 8.150 nan 0.000 0.490 565 G N -0.385 108.631 108.800 0.360 0.000 2.705 565 G HA2 0.585 4.577 3.960 0.054 0.000 0.299 565 G HA3 0.585 4.577 3.960 0.054 0.000 0.299 565 G C -1.720 173.207 174.900 0.046 0.000 1.315 565 G CA -0.975 44.210 45.100 0.142 0.000 1.045 565 G HN 0.435 nan 8.290 nan 0.000 0.517 566 P HA -0.095 nan 4.420 nan 0.000 0.222 566 P C 1.266 178.522 177.300 -0.074 0.000 1.147 566 P CA 1.073 64.141 63.100 -0.054 0.000 0.790 566 P CB 0.231 31.900 31.700 -0.050 0.000 0.780 567 E N -0.219 119.887 120.200 -0.158 0.000 2.347 567 E HA -0.175 4.207 4.350 0.054 0.000 0.196 567 E C 0.947 177.369 176.600 -0.296 0.000 1.008 567 E CA 0.978 57.231 56.400 -0.245 0.000 0.852 567 E CB -0.960 28.538 29.700 -0.336 0.000 0.783 567 E HN 0.466 nan 8.360 nan 0.000 0.505 568 H N 0.558 119.615 119.070 -0.021 0.000 2.549 568 H HA 0.281 4.870 4.556 0.056 0.000 0.279 568 H C -0.181 175.155 175.328 0.012 0.000 1.018 568 H CA 0.216 56.255 56.048 -0.015 0.000 1.175 568 H CB 0.785 30.532 29.762 -0.024 0.000 1.485 568 H HN -0.012 nan 8.280 nan 0.000 0.543 569 T N 1.493 116.096 114.554 0.081 0.000 2.847 569 T HA 0.034 4.416 4.350 0.054 0.000 0.291 569 T C -0.370 174.406 174.700 0.126 0.000 0.998 569 T CA -0.771 61.377 62.100 0.082 0.000 0.967 569 T CB 2.328 71.130 68.868 -0.110 0.000 0.954 569 T HN 0.086 nan 8.240 nan 0.000 0.441 570 D N 2.853 123.412 120.400 0.265 0.000 2.483 570 D HA 0.385 5.057 4.640 0.054 0.000 0.220 570 D C 1.306 177.802 176.300 0.327 0.000 1.173 570 D CA -0.608 53.533 54.000 0.236 0.000 0.964 570 D CB 0.687 41.624 40.800 0.229 0.000 1.046 570 D HN 0.540 nan 8.370 nan 0.000 0.517 571 A N 5.478 128.418 122.820 0.200 0.000 1.884 571 A HA -0.138 4.214 4.320 0.054 0.000 0.219 571 A C -0.409 177.331 177.584 0.260 0.000 1.197 571 A CA 1.214 53.364 52.037 0.188 0.000 0.637 571 A CB -1.326 17.718 19.000 0.074 0.000 0.827 571 A HN 0.480 nan 8.150 nan 0.000 0.450 572 P HA -0.140 nan 4.420 nan 0.000 0.218 572 P C 1.809 179.226 177.300 0.195 0.000 1.148 572 P CA 1.832 65.041 63.100 0.181 0.000 0.822 572 P CB -0.174 31.604 31.700 0.130 0.000 0.784 573 S N -2.123 113.697 115.700 0.201 0.000 2.474 573 S HA -0.085 4.417 4.470 0.054 0.000 0.235 573 S C 1.592 176.221 174.600 0.047 0.000 0.997 573 S CA 0.730 58.997 58.200 0.113 0.000 0.949 573 S CB -1.477 61.769 63.200 0.077 0.000 0.766 573 S HN 0.005 nan 8.310 nan 0.000 0.517 574 F N 2.033 122.076 119.950 0.155 0.000 2.710 574 F HA 0.204 4.760 4.527 0.049 0.000 0.298 574 F C 1.997 178.008 175.800 0.352 0.000 1.137 574 F CA 0.325 58.452 58.000 0.211 0.000 1.444 574 F CB -0.344 38.743 39.000 0.145 0.000 1.111 574 F HN 0.255 nan 8.300 nan 0.000 0.580 575 D N 0.388 121.036 120.400 0.413 0.000 2.221 575 D HA -0.183 4.489 4.640 0.054 0.000 0.204 575 D C 2.224 178.605 176.300 0.135 0.000 0.982 575 D CA 1.147 55.343 54.000 0.327 0.000 0.857 575 D CB 0.029 40.953 40.800 0.206 0.000 0.934 575 D HN 0.172 nan 8.370 nan 0.000 0.475 576 A N -0.198 122.682 122.820 0.100 0.000 2.070 576 A HA -0.040 4.313 4.320 0.054 0.000 0.220 576 A C 2.084 179.664 177.584 -0.007 0.000 1.159 576 A CA 0.764 52.806 52.037 0.008 0.000 0.656 576 A CB -0.505 18.481 19.000 -0.023 0.000 0.800 576 A HN 0.407 nan 8.150 nan 0.000 0.453 577 L N -0.908 120.369 121.223 0.090 0.000 2.592 577 L HA 0.100 4.473 4.340 0.054 0.000 0.227 577 L C 1.037 177.874 176.870 -0.055 0.000 1.127 577 L CA -0.066 54.840 54.840 0.110 0.000 0.884 577 L CB -0.281 41.954 42.059 0.293 0.000 1.065 577 L HN 0.261 nan 8.230 nan 0.000 0.457 578 K N 3.362 123.513 120.400 -0.415 0.000 2.416 578 K HA 0.126 4.479 4.320 0.054 0.000 0.283 578 K C -2.112 174.182 176.600 -0.510 0.000 1.037 578 K CA -1.265 54.352 56.287 -1.117 0.000 0.995 578 K CB 0.716 32.469 32.500 -1.246 0.000 0.938 578 K HN -0.096 nan 8.250 nan 0.000 0.475 579 P HA 0.189 nan 4.420 nan 0.000 0.286 579 P C -0.836 176.433 177.300 -0.053 0.000 1.261 579 P CA -0.433 62.586 63.100 -0.135 0.000 0.821 579 P CB 1.385 33.069 31.700 -0.026 0.000 1.013 580 K N 0.134 120.531 120.400 -0.005 0.000 2.354 580 K HA 0.253 4.605 4.320 0.054 0.000 0.194 580 K C 0.108 176.712 176.600 0.006 0.000 1.045 580 K CA 0.257 56.551 56.287 0.013 0.000 1.026 580 K CB 0.603 33.073 32.500 -0.051 0.000 0.866 580 K HN 0.224 nan 8.250 nan 0.000 0.530 581 V N 1.213 121.159 119.914 0.053 0.000 2.808 581 V HA 0.195 4.348 4.120 0.054 0.000 0.308 581 V C -1.844 174.341 176.094 0.152 0.000 1.099 581 V CA -0.999 61.325 62.300 0.041 0.000 0.920 581 V CB 2.101 33.904 31.823 -0.033 0.000 1.014 581 V HN 0.048 nan 8.190 nan 0.000 0.425 582 D N 2.254 122.776 120.400 0.203 0.000 2.476 582 D HA 0.543 5.216 4.640 0.054 0.000 0.251 582 D C 0.991 177.380 176.300 0.149 0.000 1.291 582 D CA 0.267 54.404 54.000 0.229 0.000 0.939 582 D CB 1.806 42.775 40.800 0.281 0.000 1.221 582 D HN 0.568 nan 8.370 nan 0.000 0.567 583 G N 1.630 110.495 108.800 0.109 0.000 2.421 583 G HA2 -0.226 3.766 3.960 0.054 0.000 0.216 583 G HA3 -0.226 3.766 3.960 0.054 0.000 0.216 583 G C 1.543 176.389 174.900 -0.090 0.000 1.171 583 G CA 0.763 45.878 45.100 0.025 0.000 0.775 583 G HN 0.462 nan 8.290 nan 0.000 0.543 584 V N 0.571 120.351 119.914 -0.224 0.000 2.380 584 V HA -0.173 3.980 4.120 0.054 0.000 0.251 584 V C 2.713 178.661 176.094 -0.243 0.000 1.063 584 V CA 2.084 64.106 62.300 -0.463 0.000 1.055 584 V CB -0.350 30.706 31.823 -1.279 0.000 0.657 584 V HN 0.342 nan 8.190 nan 0.000 0.455 585 R N -0.865 119.596 120.500 -0.066 0.000 2.334 585 R HA 0.212 4.584 4.340 0.054 0.000 0.216 585 R C 0.710 177.085 176.300 0.125 0.000 0.905 585 R CA 0.122 56.264 56.100 0.071 0.000 1.064 585 R CB -0.299 30.115 30.300 0.189 0.000 1.046 585 R HN 0.598 nan 8.270 nan 0.000 0.508 586 N N 0.639 119.377 118.700 0.063 0.000 2.705 586 N HA -0.281 4.491 4.740 0.054 0.000 0.255 586 N C -1.329 174.258 175.510 0.127 0.000 1.008 586 N CA 0.141 53.231 53.050 0.067 0.000 0.742 586 N CB -0.527 37.986 38.487 0.043 0.000 0.906 586 N HN 0.285 nan 8.380 nan 0.000 0.541 587 Y N 0.919 121.194 120.300 -0.042 0.000 2.341 587 Y HA 0.646 5.229 4.550 0.054 0.000 0.337 587 Y C -0.485 175.309 175.900 -0.176 0.000 1.014 587 Y CA -0.729 57.261 58.100 -0.183 0.000 1.111 587 Y CB 0.864 39.138 38.460 -0.310 0.000 1.194 587 Y HN 0.108 nan 8.280 nan 0.000 0.462 588 I N 6.749 126.812 120.570 -0.846 0.000 2.503 588 I HA 0.169 4.371 4.170 0.054 0.000 0.282 588 I C -0.769 174.830 176.117 -0.863 0.000 1.059 588 I CA -0.768 60.088 61.300 -0.740 0.000 1.081 588 I CB 1.815 39.472 38.000 -0.571 0.000 1.210 588 I HN 0.588 nan 8.210 nan 0.000 0.450 589 Q N 5.087 124.388 119.800 -0.832 0.000 2.255 589 Q HA -0.057 4.315 4.340 0.054 0.000 0.280 589 Q C 0.215 176.078 176.000 -0.229 0.000 1.068 589 Q CA 0.224 55.740 55.803 -0.478 0.000 0.911 589 Q CB 0.644 29.251 28.738 -0.217 0.000 1.157 589 Q HN 0.473 nan 8.270 nan 0.000 0.380 590 D N 3.723 124.058 120.400 -0.109 0.000 2.745 590 D HA -0.046 4.626 4.640 0.054 0.000 0.229 590 D C -0.427 175.895 176.300 0.038 0.000 1.088 590 D CA 0.469 54.495 54.000 0.043 0.000 1.054 590 D CB 0.165 41.000 40.800 0.060 0.000 1.132 590 D HN 0.589 nan 8.370 nan 0.000 0.464 591 D N 0.362 120.776 120.400 0.022 0.000 2.310 591 D HA -0.028 4.645 4.640 0.054 0.000 0.470 591 D C 0.861 177.168 176.300 0.012 0.000 1.038 591 D CA -0.248 53.762 54.000 0.017 0.000 1.012 591 D CB 0.047 40.848 40.800 0.003 0.000 1.458 591 D HN 0.442 nan 8.370 nan 0.000 0.457 592 I N 0.762 121.330 120.570 -0.003 0.000 2.948 592 I HA 0.136 4.338 4.170 0.054 0.000 0.290 592 I C 1.493 177.624 176.117 0.024 0.000 1.226 592 I CA 0.756 62.050 61.300 -0.011 0.000 1.413 592 I CB 0.872 38.841 38.000 -0.052 0.000 1.352 592 I HN -0.075 nan 8.210 nan 0.000 0.597 593 T N 2.034 116.596 114.554 0.013 0.000 3.033 593 T HA 0.217 4.599 4.350 0.054 0.000 0.248 593 T C 1.067 175.782 174.700 0.026 0.000 1.040 593 T CA -0.108 62.005 62.100 0.021 0.000 1.133 593 T CB -0.005 68.870 68.868 0.013 0.000 0.895 593 T HN 0.665 nan 8.240 nan 0.000 0.465 594 R N 1.964 122.473 120.500 0.014 0.000 2.543 594 R HA 0.477 4.849 4.340 0.054 0.000 0.268 594 R C -2.685 173.631 176.300 0.026 0.000 1.067 594 R CA -2.118 53.990 56.100 0.015 0.000 1.142 594 R CB 0.025 30.324 30.300 -0.002 0.000 1.110 594 R HN 0.197 nan 8.270 nan 0.000 0.549 595 P HA -0.038 nan 4.420 nan 0.000 0.269 595 P C -0.149 177.156 177.300 0.009 0.000 1.209 595 P CA 0.287 63.413 63.100 0.045 0.000 0.776 595 P CB 0.781 32.501 31.700 0.034 0.000 0.876 596 A N 3.859 126.681 122.820 0.003 0.000 1.917 596 A HA -0.243 4.109 4.320 0.054 0.000 0.219 596 A C 1.884 179.440 177.584 -0.047 0.000 1.182 596 A CA 1.857 53.856 52.037 -0.062 0.000 0.633 596 A CB -1.072 17.863 19.000 -0.109 0.000 0.819 596 A HN 0.705 nan 8.150 nan 0.000 0.448 597 E N 0.353 120.527 120.200 -0.044 0.000 2.204 597 E HA -0.241 4.141 4.350 0.054 0.000 0.195 597 E C 1.533 178.097 176.600 -0.059 0.000 0.990 597 E CA 1.518 57.874 56.400 -0.074 0.000 0.821 597 E CB -0.532 29.096 29.700 -0.120 0.000 0.750 597 E HN 0.779 nan 8.360 nan 0.000 0.477 598 E N 0.677 120.854 120.200 -0.039 0.000 2.106 598 E HA -0.088 4.294 4.350 0.054 0.000 0.192 598 E C 2.290 178.876 176.600 -0.025 0.000 0.984 598 E CA 1.256 57.638 56.400 -0.029 0.000 0.806 598 E CB 0.139 29.829 29.700 -0.018 0.000 0.750 598 E HN 0.131 nan 8.360 nan 0.000 0.458 599 V N 1.414 121.313 119.914 -0.026 0.000 2.427 599 V HA -0.223 3.929 4.120 0.054 0.000 0.248 599 V C 2.295 178.387 176.094 -0.004 0.000 1.051 599 V CA 1.132 63.419 62.300 -0.022 0.000 1.048 599 V CB -0.392 31.411 31.823 -0.033 0.000 0.666 599 V HN 0.224 nan 8.190 nan 0.000 0.456 600 L N 0.218 121.439 121.223 -0.003 0.000 2.012 600 L HA -0.143 4.229 4.340 0.054 0.000 0.210 600 L C 2.374 179.266 176.870 0.038 0.000 1.073 600 L CA 2.005 56.862 54.840 0.028 0.000 0.748 600 L CB -0.481 41.589 42.059 0.018 0.000 0.891 600 L HN 0.119 nan 8.230 nan 0.000 0.431 601 V N -0.117 119.803 119.914 0.009 0.000 2.358 601 V HA -0.274 3.878 4.120 0.054 0.000 0.246 601 V C 2.420 178.524 176.094 0.018 0.000 1.047 601 V CA 1.920 64.229 62.300 0.014 0.000 1.035 601 V CB -0.823 30.993 31.823 -0.012 0.000 0.658 601 V HN 0.585 nan 8.190 nan 0.000 0.452 602 D N 0.490 120.892 120.400 0.003 0.000 2.092 602 D HA -0.194 4.479 4.640 0.054 0.000 0.193 602 D C 1.937 178.242 176.300 0.008 0.000 0.994 602 D CA 1.528 55.524 54.000 -0.008 0.000 0.828 602 D CB -0.141 40.644 40.800 -0.024 0.000 0.963 602 D HN 0.370 nan 8.370 nan 0.000 0.450 603 N N 0.509 119.225 118.700 0.027 0.000 2.166 603 N HA -0.103 4.669 4.740 0.054 0.000 0.186 603 N C 1.756 177.315 175.510 0.080 0.000 1.019 603 N CA 1.293 54.374 53.050 0.052 0.000 0.856 603 N CB -0.574 37.960 38.487 0.079 0.000 0.993 603 N HN 0.230 nan 8.380 nan 0.000 0.426 604 A N 0.839 123.713 122.820 0.091 0.000 1.933 604 A HA -0.197 4.155 4.320 0.054 0.000 0.218 604 A C 2.026 179.662 177.584 0.086 0.000 1.175 604 A CA 1.953 54.056 52.037 0.110 0.000 0.628 604 A CB -0.748 18.318 19.000 0.111 0.000 0.814 604 A HN 0.342 nan 8.150 nan 0.000 0.444 605 D N -0.078 120.357 120.400 0.058 0.000 2.144 605 D HA -0.129 4.543 4.640 0.054 0.000 0.199 605 D C 1.708 178.039 176.300 0.051 0.000 0.984 605 D CA 1.194 55.221 54.000 0.046 0.000 0.834 605 D CB -0.253 40.559 40.800 0.019 0.000 0.955 605 D HN 0.440 nan 8.370 nan 0.000 0.465 606 L N -0.221 121.028 121.223 0.044 0.000 2.275 606 L HA -0.048 4.324 4.340 0.054 0.000 0.215 606 L C 1.809 178.744 176.870 0.109 0.000 1.119 606 L CA 0.458 55.322 54.840 0.039 0.000 0.790 606 L CB -0.189 41.871 42.059 0.002 0.000 0.919 606 L HN 0.190 nan 8.230 nan 0.000 0.443 607 L N -0.761 120.535 121.223 0.121 0.000 2.653 607 L HA 0.121 4.493 4.340 0.054 0.000 0.231 607 L C 0.305 177.243 176.870 0.115 0.000 1.153 607 L CA 0.054 54.981 54.840 0.145 0.000 0.933 607 L CB -0.496 41.634 42.059 0.118 0.000 1.175 607 L HN 0.362 nan 8.230 nan 0.000 0.473 608 N N 0.220 118.985 118.700 0.110 0.000 2.714 608 N HA -0.178 4.595 4.740 0.054 0.000 0.250 608 N C -0.250 175.300 175.510 0.067 0.000 1.117 608 N CA -0.053 53.048 53.050 0.085 0.000 0.719 608 N CB -0.953 37.587 38.487 0.088 0.000 1.081 608 N HN 0.287 nan 8.380 nan 0.000 0.557 609 L N 0.581 121.849 121.223 0.075 0.000 2.399 609 L HA 0.373 4.746 4.340 0.054 0.000 0.266 609 L C 1.440 178.354 176.870 0.073 0.000 1.114 609 L CA -0.463 54.423 54.840 0.076 0.000 0.804 609 L CB 0.943 43.060 42.059 0.097 0.000 1.146 609 L HN 0.086 nan 8.230 nan 0.000 0.451 610 T N -1.615 112.983 114.554 0.073 0.000 2.862 610 T HA 0.439 4.822 4.350 0.054 0.000 0.276 610 T C 1.064 175.821 174.700 0.095 0.000 0.974 610 T CA -0.175 61.968 62.100 0.071 0.000 0.966 610 T CB 1.649 70.555 68.868 0.063 0.000 1.072 610 T HN 0.614 nan 8.240 nan 0.000 0.538 611 A N 0.862 123.738 122.820 0.093 0.000 1.933 611 A HA -0.013 4.340 4.320 0.054 0.000 0.218 611 A C 2.564 180.251 177.584 0.172 0.000 1.175 611 A CA 1.908 54.020 52.037 0.125 0.000 0.628 611 A CB -1.448 17.609 19.000 0.094 0.000 0.814 611 A HN 0.786 nan 8.150 nan 0.000 0.444 612 S N -0.321 115.462 115.700 0.138 0.000 2.368 612 S HA -0.149 4.354 4.470 0.054 0.000 0.224 612 S C 1.840 176.560 174.600 0.200 0.000 1.029 612 S CA 1.488 59.790 58.200 0.170 0.000 0.988 612 S CB -0.287 62.981 63.200 0.112 0.000 0.838 612 S HN 0.725 nan 8.310 nan 0.000 0.462 613 E N 0.709 120.994 120.200 0.142 0.000 2.106 613 E HA -0.129 4.253 4.350 0.054 0.000 0.192 613 E C 2.086 178.748 176.600 0.104 0.000 0.984 613 E CA 0.854 57.319 56.400 0.108 0.000 0.806 613 E CB -0.240 29.506 29.700 0.077 0.000 0.750 613 E HN 0.272 nan 8.360 nan 0.000 0.458 614 L N 1.094 122.403 121.223 0.144 0.000 2.046 614 L HA -0.148 4.224 4.340 0.054 0.000 0.208 614 L C 2.161 179.113 176.870 0.137 0.000 1.077 614 L CA 1.944 56.883 54.840 0.165 0.000 0.747 614 L CB -0.748 41.454 42.059 0.239 0.000 0.896 614 L HN 0.002 nan 8.230 nan 0.000 0.432 615 T N 0.120 114.813 114.554 0.232 0.000 2.674 615 T HA -0.168 4.214 4.350 0.054 0.000 0.265 615 T C 1.933 176.662 174.700 0.048 0.000 1.039 615 T CA 1.537 63.709 62.100 0.120 0.000 1.150 615 T CB -0.689 68.422 68.868 0.405 0.000 0.864 615 T HN 0.537 nan 8.240 nan 0.000 0.427 616 A N 1.229 124.104 122.820 0.091 0.000 1.908 616 A HA -0.053 4.299 4.320 0.054 0.000 0.218 616 A C 2.265 179.863 177.584 0.024 0.000 1.181 616 A CA 1.481 53.460 52.037 -0.096 0.000 0.627 616 A CB -0.889 18.038 19.000 -0.122 0.000 0.818 616 A HN 0.398 nan 8.150 nan 0.000 0.445 617 L N -0.116 121.104 121.223 -0.005 0.000 1.976 617 L HA -0.155 4.217 4.340 0.054 0.000 0.209 617 L C 2.204 179.027 176.870 -0.078 0.000 1.071 617 L CA 1.863 56.692 54.840 -0.019 0.000 0.746 617 L CB -0.412 41.589 42.059 -0.097 0.000 0.890 617 L HN 0.348 nan 8.230 nan 0.000 0.432 618 I N -0.101 120.289 120.570 -0.301 0.000 2.179 618 I HA -0.173 4.029 4.170 0.054 0.000 0.242 618 I C 2.604 178.193 176.117 -0.880 0.000 1.088 618 I CA 1.487 62.453 61.300 -0.557 0.000 1.357 618 I CB -2.324 35.259 38.000 -0.694 0.000 1.051 618 I HN 0.415 nan 8.210 nan 0.000 0.409 619 G N 0.687 108.909 108.800 -0.963 0.000 2.421 619 G HA2 -0.184 3.808 3.960 0.054 0.000 0.216 619 G HA3 -0.184 3.808 3.960 0.054 0.000 0.216 619 G C 1.759 176.242 174.900 -0.695 0.000 1.171 619 G CA 0.907 45.225 45.100 -1.303 0.000 0.775 619 G HN 0.477 nan 8.290 nan 0.000 0.543 620 G N 0.465 109.060 108.800 -0.341 0.000 2.418 620 G HA2 -0.200 3.792 3.960 0.054 0.000 0.217 620 G HA3 -0.200 3.792 3.960 0.054 0.000 0.217 620 G C 1.769 176.251 174.900 -0.698 0.000 1.158 620 G CA 1.376 46.167 45.100 -0.516 0.000 0.771 620 G HN 0.363 nan 8.290 nan 0.000 0.545 621 M N 0.615 119.964 119.600 -0.419 0.000 2.149 621 M HA 0.037 4.549 4.480 0.054 0.000 0.261 621 M C 2.350 178.413 176.300 -0.395 0.000 1.064 621 M CA 1.054 56.156 55.300 -0.329 0.000 1.102 621 M CB -0.232 32.254 32.600 -0.191 0.000 1.369 621 M HN 0.009 nan 8.290 nan 0.000 0.408 622 R N -0.257 119.938 120.500 -0.509 0.000 2.189 622 R HA -0.005 4.368 4.340 0.054 0.000 0.223 622 R C 2.269 178.384 176.300 -0.309 0.000 1.092 622 R CA 1.413 57.243 56.100 -0.449 0.000 0.989 622 R CB -1.382 28.529 30.300 -0.648 0.000 0.876 622 R HN 0.691 nan 8.270 nan 0.000 0.457 623 S N -0.276 115.236 115.700 -0.314 0.000 2.461 623 S HA 0.051 4.554 4.470 0.054 0.000 0.228 623 S C 2.027 176.502 174.600 -0.209 0.000 1.005 623 S CA 0.338 58.408 58.200 -0.216 0.000 0.942 623 S CB -0.142 62.934 63.200 -0.208 0.000 0.776 623 S HN 0.184 nan 8.310 nan 0.000 0.514 624 I N 1.485 121.890 120.570 -0.275 0.000 2.400 624 I HA 0.211 4.414 4.170 0.054 0.000 0.248 624 I C 1.383 177.406 176.117 -0.157 0.000 1.109 624 I CA 0.689 61.850 61.300 -0.231 0.000 1.425 624 I CB -0.792 37.030 38.000 -0.297 0.000 1.094 624 I HN 0.542 nan 8.210 nan 0.000 0.425 625 G N 1.778 110.480 108.800 -0.164 0.000 2.940 625 G HA2 0.005 3.998 3.960 0.054 0.000 0.273 625 G HA3 0.005 3.998 3.960 0.054 0.000 0.273 625 G C -0.062 174.793 174.900 -0.075 0.000 1.030 625 G CA -0.076 44.959 45.100 -0.108 0.000 1.066 625 G HN 0.593 nan 8.290 nan 0.000 0.466 626 A N 2.383 125.161 122.820 -0.070 0.000 2.795 626 A HA 0.577 4.929 4.320 0.054 0.000 0.282 626 A C 0.576 178.171 177.584 0.019 0.000 0.964 626 A CA -0.400 51.625 52.037 -0.019 0.000 1.045 626 A CB 0.191 19.180 19.000 -0.018 0.000 1.174 626 A HN 0.558 nan 8.150 nan 0.000 0.493 627 N N 0.392 119.107 118.700 0.025 0.000 2.508 627 N HA 0.174 4.947 4.740 0.054 0.000 0.264 627 N C -0.237 175.365 175.510 0.154 0.000 1.216 627 N CA 0.009 53.111 53.050 0.087 0.000 0.943 627 N CB 0.269 38.802 38.487 0.076 0.000 1.113 627 N HN 0.520 nan 8.380 nan 0.000 0.447 628 Y N 1.544 121.898 120.300 0.089 0.000 2.620 628 Y HA -0.109 4.473 4.550 0.054 0.000 0.330 628 Y C 0.881 176.845 175.900 0.106 0.000 1.186 628 Y CA 0.577 58.745 58.100 0.115 0.000 1.467 628 Y CB 0.156 38.736 38.460 0.201 0.000 1.262 628 Y HN 0.661 nan 8.280 nan 0.000 0.550 629 Q N 3.222 122.805 119.800 -0.362 0.000 2.481 629 Q HA -0.313 4.059 4.340 0.054 0.000 0.258 629 Q C -0.388 175.556 176.000 -0.093 0.000 0.961 629 Q CA 0.982 56.596 55.803 -0.316 0.000 1.121 629 Q CB -1.397 27.080 28.738 -0.435 0.000 1.503 629 Q HN 0.994 nan 8.270 nan 0.000 0.544 630 D N -0.373 120.010 120.400 -0.029 0.000 2.701 630 D HA -0.163 4.509 4.640 0.054 0.000 0.235 630 D C 0.489 176.807 176.300 0.029 0.000 1.155 630 D CA 1.903 55.907 54.000 0.007 0.000 0.649 630 D CB -1.456 39.342 40.800 -0.003 0.000 1.050 630 D HN 0.713 nan 8.370 nan 0.000 0.425 631 T N -3.358 111.229 114.554 0.055 0.000 2.754 631 T HA 0.249 4.632 4.350 0.054 0.000 0.286 631 T C 0.829 175.578 174.700 0.082 0.000 0.997 631 T CA -0.455 61.693 62.100 0.080 0.000 0.982 631 T CB 1.356 70.294 68.868 0.117 0.000 1.027 631 T HN -0.120 nan 8.240 nan 0.000 0.529 632 D N 0.157 120.623 120.400 0.109 0.000 2.368 632 D HA 0.190 4.862 4.640 0.054 0.000 0.218 632 D C 0.317 176.709 176.300 0.154 0.000 1.112 632 D CA -0.061 54.018 54.000 0.132 0.000 0.834 632 D CB -0.048 40.856 40.800 0.173 0.000 0.953 632 D HN 0.483 nan 8.370 nan 0.000 0.505 633 L N 0.647 121.951 121.223 0.136 0.000 2.584 633 L HA 0.065 4.438 4.340 0.054 0.000 0.272 633 L C 1.706 178.584 176.870 0.013 0.000 1.195 633 L CA 0.526 55.451 54.840 0.143 0.000 0.920 633 L CB 0.071 42.213 42.059 0.138 0.000 1.173 633 L HN 0.200 nan 8.230 nan 0.000 0.489 634 G N 2.561 111.336 108.800 -0.041 0.000 2.189 634 G HA2 -0.278 3.714 3.960 0.054 0.000 0.267 634 G HA3 -0.278 3.714 3.960 0.054 0.000 0.267 634 G C 0.326 174.706 174.900 -0.867 0.000 0.975 634 G CA 0.158 44.881 45.100 -0.628 0.000 0.644 634 G HN 0.448 nan 8.290 nan 0.000 0.537 635 V N 2.110 121.835 119.914 -0.315 0.000 2.055 635 V HA 0.291 4.443 4.120 0.054 0.000 0.248 635 V C 0.779 176.836 176.094 -0.062 0.000 1.476 635 V CA -0.033 62.159 62.300 -0.180 0.000 1.417 635 V CB -0.899 30.916 31.823 -0.013 0.000 1.465 635 V HN 0.338 nan 8.190 nan 0.000 0.502 636 F N 2.204 121.959 119.950 -0.325 0.000 2.662 636 F HA 0.352 4.912 4.527 0.054 0.000 0.365 636 F C 0.946 176.363 175.800 -0.638 0.000 1.222 636 F CA -0.109 57.234 58.000 -1.095 0.000 1.315 636 F CB 0.150 38.431 39.000 -1.198 0.000 1.711 636 F HN 0.412 nan 8.300 nan 0.000 0.651 637 T N -0.921 113.645 114.554 0.019 0.000 2.885 637 T HA 0.143 4.525 4.350 0.054 0.000 0.322 637 T C 0.030 174.904 174.700 0.289 0.000 1.387 637 T CA -0.647 61.553 62.100 0.167 0.000 1.041 637 T CB 1.631 70.531 68.868 0.054 0.000 1.287 637 T HN 0.143 nan 8.240 nan 0.000 0.491 638 D N 1.792 122.333 120.400 0.235 0.000 2.354 638 D HA 0.168 4.840 4.640 0.054 0.000 0.209 638 D C 0.161 176.522 176.300 0.102 0.000 1.015 638 D CA 0.550 54.654 54.000 0.173 0.000 0.867 638 D CB 0.562 41.445 40.800 0.138 0.000 0.933 638 D HN 0.614 nan 8.370 nan 0.000 0.520 639 E N 1.117 121.365 120.200 0.080 0.000 3.037 639 E HA 0.240 4.622 4.350 0.054 0.000 0.220 639 E C -2.509 174.100 176.600 0.015 0.000 1.142 639 E CA -1.720 54.704 56.400 0.040 0.000 0.888 639 E CB 1.663 31.381 29.700 0.030 0.000 1.329 639 E HN 0.023 nan 8.360 nan 0.000 0.409 640 P HA -0.084 nan 4.420 nan 0.000 0.270 640 P C -0.251 177.025 177.300 -0.041 0.000 1.227 640 P CA 0.200 63.289 63.100 -0.017 0.000 0.788 640 P CB 0.425 32.124 31.700 -0.001 0.000 0.926 641 E N -2.532 117.623 120.200 -0.075 0.000 2.791 641 E HA -0.179 4.204 4.350 0.054 0.000 0.271 641 E C -0.711 175.834 176.600 -0.091 0.000 1.044 641 E CA 0.749 57.094 56.400 -0.090 0.000 0.814 641 E CB -2.310 27.352 29.700 -0.063 0.000 1.400 641 E HN 0.408 nan 8.360 nan 0.000 0.423 642 T N 1.311 115.810 114.554 -0.092 0.000 2.963 642 T HA 0.330 4.712 4.350 0.054 0.000 0.328 642 T C -0.370 174.267 174.700 -0.106 0.000 1.048 642 T CA -0.692 61.365 62.100 -0.072 0.000 1.033 642 T CB 0.873 69.724 68.868 -0.029 0.000 1.010 642 T HN 0.101 nan 8.240 nan 0.000 0.469 643 L N 5.823 126.958 121.223 -0.147 0.000 2.678 643 L HA 0.354 4.726 4.340 0.054 0.000 0.276 643 L C 0.704 177.500 176.870 -0.123 0.000 1.142 643 L CA 0.932 55.632 54.840 -0.233 0.000 0.961 643 L CB -1.015 40.855 42.059 -0.316 0.000 1.291 643 L HN 0.843 nan 8.230 nan 0.000 0.476 644 T N 0.461 114.948 114.554 -0.112 0.000 2.669 644 T HA 0.432 4.814 4.350 0.054 0.000 0.283 644 T C 0.426 175.122 174.700 -0.007 0.000 1.019 644 T CA -0.231 61.861 62.100 -0.014 0.000 1.039 644 T CB 1.029 69.924 68.868 0.044 0.000 1.374 644 T HN 0.466 nan 8.240 nan 0.000 0.523 645 N N -0.633 118.118 118.700 0.086 0.000 2.273 645 N HA 0.134 4.906 4.740 0.054 0.000 0.231 645 N C 0.073 175.712 175.510 0.214 0.000 1.134 645 N CA -0.170 53.010 53.050 0.216 0.000 0.856 645 N CB -0.133 38.494 38.487 0.234 0.000 1.068 645 N HN 0.488 nan 8.380 nan 0.000 0.510 646 D N 0.676 121.140 120.400 0.106 0.000 2.158 646 D HA -0.156 4.516 4.640 0.054 0.000 0.197 646 D C 1.201 177.522 176.300 0.034 0.000 0.995 646 D CA 0.758 54.802 54.000 0.073 0.000 0.846 646 D CB -0.284 40.543 40.800 0.045 0.000 0.941 646 D HN 0.331 nan 8.370 nan 0.000 0.456 647 F N 0.293 120.133 119.950 -0.183 0.000 2.095 647 F HA -0.229 4.330 4.527 0.054 0.000 0.298 647 F C 1.905 177.556 175.800 -0.248 0.000 1.104 647 F CA 1.489 59.289 58.000 -0.334 0.000 1.232 647 F CB -0.482 38.084 39.000 -0.722 0.000 0.987 647 F HN -0.092 nan 8.300 nan 0.000 0.475 648 F N -0.482 119.499 119.950 0.051 0.000 2.163 648 F HA -0.129 4.430 4.527 0.054 0.000 0.297 648 F C 2.348 178.122 175.800 -0.044 0.000 1.094 648 F CA 1.226 59.216 58.000 -0.017 0.000 1.290 648 F CB -1.206 37.880 39.000 0.143 0.000 1.017 648 F HN -0.227 nan 8.300 nan 0.000 0.483 649 V N 0.628 120.648 119.914 0.178 0.000 2.287 649 V HA -0.318 3.834 4.120 0.054 0.000 0.248 649 V C 2.068 178.188 176.094 0.044 0.000 1.053 649 V CA 2.126 64.492 62.300 0.110 0.000 1.027 649 V CB -0.632 31.257 31.823 0.110 0.000 0.646 649 V HN 0.374 nan 8.190 nan 0.000 0.447 650 N N -0.221 118.464 118.700 -0.024 0.000 2.331 650 N HA -0.071 4.701 4.740 0.054 0.000 0.180 650 N C 1.663 177.069 175.510 -0.172 0.000 1.019 650 N CA 0.977 53.981 53.050 -0.076 0.000 0.881 650 N CB -0.265 38.096 38.487 -0.211 0.000 0.972 650 N HN 0.406 nan 8.380 nan 0.000 0.435 651 L N 1.070 122.129 121.223 -0.273 0.000 2.056 651 L HA 0.016 4.388 4.340 0.054 0.000 0.207 651 L C 1.762 178.604 176.870 -0.048 0.000 1.078 651 L CA 1.423 56.087 54.840 -0.294 0.000 0.749 651 L CB -0.437 41.309 42.059 -0.521 0.000 0.901 651 L HN 0.050 nan 8.230 nan 0.000 0.433 652 L N -0.617 120.604 121.223 -0.003 0.000 2.554 652 L HA 0.033 4.405 4.340 0.054 0.000 0.226 652 L C 0.381 177.295 176.870 0.073 0.000 1.137 652 L CA -0.119 54.753 54.840 0.053 0.000 0.863 652 L CB -0.640 41.460 42.059 0.070 0.000 0.985 652 L HN 0.205 nan 8.230 nan 0.000 0.451 653 D N 1.061 121.507 120.400 0.076 0.000 2.389 653 D HA -0.059 4.613 4.640 0.054 0.000 0.263 653 D C 1.141 177.487 176.300 0.075 0.000 1.255 653 D CA 0.184 54.228 54.000 0.072 0.000 0.914 653 D CB 0.877 41.724 40.800 0.077 0.000 1.116 653 D HN -0.033 nan 8.370 nan 0.000 0.502 654 M N 2.998 122.632 119.600 0.056 0.000 2.700 654 M HA 0.003 4.516 4.480 0.054 0.000 0.249 654 M C 1.840 178.150 176.300 0.016 0.000 1.082 654 M CA 0.348 55.676 55.300 0.047 0.000 1.077 654 M CB -0.685 31.936 32.600 0.036 0.000 1.477 654 M HN 0.482 nan 8.290 nan 0.000 0.529 655 G N -0.320 108.484 108.800 0.007 0.000 2.598 655 G HA2 -0.059 3.933 3.960 0.054 0.000 0.215 655 G HA3 -0.059 3.933 3.960 0.054 0.000 0.215 655 G C 0.537 175.398 174.900 -0.066 0.000 1.131 655 G CA 0.452 45.538 45.100 -0.022 0.000 0.785 655 G HN 0.376 nan 8.290 nan 0.000 0.539 656 T N -0.093 114.416 114.554 -0.075 0.000 2.859 656 T HA 0.525 4.908 4.350 0.054 0.000 0.281 656 T C -0.835 173.710 174.700 -0.258 0.000 1.005 656 T CA -0.454 61.513 62.100 -0.221 0.000 1.025 656 T CB 2.584 71.287 68.868 -0.275 0.000 0.977 656 T HN 0.223 nan 8.240 nan 0.000 0.458 657 E N 1.488 121.456 120.200 -0.386 0.000 2.222 657 E HA 0.431 4.813 4.350 0.054 0.000 0.267 657 E C -1.506 174.852 176.600 -0.405 0.000 0.884 657 E CA -0.844 55.411 56.400 -0.242 0.000 0.764 657 E CB 1.257 30.892 29.700 -0.108 0.000 1.169 657 E HN 0.541 nan 8.360 nan 0.000 0.413 658 W N 2.587 123.908 121.300 0.036 0.000 2.570 658 W HA 0.393 5.086 4.660 0.054 0.000 0.337 658 W C -0.224 176.368 176.519 0.122 0.000 1.067 658 W CA -0.441 56.953 57.345 0.082 0.000 1.229 658 W CB 1.213 30.712 29.460 0.065 0.000 1.355 658 W HN 0.434 nan 8.180 nan 0.000 0.555 659 E N 1.106 121.541 120.200 0.392 0.000 2.390 659 E HA 0.524 4.907 4.350 0.054 0.000 0.277 659 E C -2.931 173.836 176.600 0.277 0.000 0.939 659 E CA -2.613 53.958 56.400 0.285 0.000 0.769 659 E CB 2.188 31.967 29.700 0.131 0.000 1.251 659 E HN -0.046 nan 8.360 nan 0.000 0.450 660 P HA 0.091 nan 4.420 nan 0.000 0.268 660 P C -0.809 176.382 177.300 -0.182 0.000 1.205 660 P CA 0.074 62.978 63.100 -0.326 0.000 0.771 660 P CB 0.757 32.309 31.700 -0.247 0.000 0.858 661 A N 3.297 125.973 122.820 -0.239 0.000 2.440 661 A HA 0.497 4.849 4.320 0.054 0.000 0.251 661 A C 0.492 178.023 177.584 -0.088 0.000 1.089 661 A CA -0.208 51.776 52.037 -0.089 0.000 0.779 661 A CB -0.286 18.688 19.000 -0.044 0.000 1.022 661 A HN 0.598 nan 8.150 nan 0.000 0.492 662 A N 2.896 125.690 122.820 -0.044 0.000 2.520 662 A HA 0.428 4.780 4.320 0.054 0.000 0.245 662 A C 0.172 177.733 177.584 -0.039 0.000 1.072 662 A CA 0.357 52.371 52.037 -0.038 0.000 0.761 662 A CB -0.350 18.638 19.000 -0.020 0.000 1.004 662 A HN 1.094 nan 8.150 nan 0.000 0.499 663 D N 0.066 120.440 120.400 -0.045 0.000 2.746 663 D HA -0.110 4.562 4.640 0.054 0.000 0.241 663 D C -0.124 176.145 176.300 -0.051 0.000 1.140 663 D CA 1.891 55.866 54.000 -0.041 0.000 0.707 663 D CB -1.317 39.470 40.800 -0.022 0.000 1.034 663 D HN 0.735 nan 8.370 nan 0.000 0.423 664 S N -1.217 114.432 115.700 -0.085 0.000 2.550 664 S HA 0.466 4.968 4.470 0.054 0.000 0.270 664 S C 0.464 174.958 174.600 -0.176 0.000 1.145 664 S CA -0.631 57.506 58.200 -0.105 0.000 0.852 664 S CB 1.715 64.861 63.200 -0.089 0.000 1.119 664 S HN 0.076 nan 8.310 nan 0.000 0.465 665 E N 0.867 120.913 120.200 -0.257 0.000 2.413 665 E HA 0.160 4.543 4.350 0.054 0.000 0.203 665 E C 0.259 176.533 176.600 -0.544 0.000 0.957 665 E CA 0.106 56.239 56.400 -0.445 0.000 0.950 665 E CB 0.253 29.577 29.700 -0.626 0.000 0.957 665 E HN 0.643 nan 8.360 nan 0.000 0.497 666 H N -0.538 118.537 119.070 0.008 0.000 3.535 666 H HA 0.307 4.896 4.556 0.054 0.000 0.260 666 H C 0.217 175.644 175.328 0.166 0.000 1.173 666 H CA -0.101 56.004 56.048 0.095 0.000 1.168 666 H CB 0.944 30.744 29.762 0.064 0.000 1.568 666 H HN -0.124 nan 8.280 nan 0.000 0.602 667 R N 0.558 121.124 120.500 0.109 0.000 2.486 667 R HA 0.473 4.846 4.340 0.054 0.000 0.286 667 R C -1.068 175.184 176.300 -0.080 0.000 0.999 667 R CA -0.444 55.747 56.100 0.151 0.000 0.993 667 R CB 1.354 31.730 30.300 0.127 0.000 1.084 667 R HN -0.048 nan 8.270 nan 0.000 0.487 668 Y N 0.090 120.512 120.300 0.204 0.000 2.576 668 Y HA 0.400 4.982 4.550 0.054 0.000 0.346 668 Y C -0.252 175.840 175.900 0.319 0.000 1.018 668 Y CA -1.027 57.223 58.100 0.251 0.000 1.050 668 Y CB 1.869 40.504 38.460 0.290 0.000 1.280 668 Y HN 0.216 nan 8.280 nan 0.000 0.474 669 K N 0.578 121.232 120.400 0.423 0.000 2.270 669 K HA 0.667 5.020 4.320 0.054 0.000 0.255 669 K C -0.450 176.248 176.600 0.162 0.000 0.936 669 K CA -0.907 55.545 56.287 0.275 0.000 0.809 669 K CB 1.990 34.558 32.500 0.114 0.000 1.131 669 K HN 0.869 nan 8.250 nan 0.000 0.427 670 G N 3.086 111.803 108.800 -0.138 0.000 2.468 670 G HA2 0.479 4.471 3.960 0.054 0.000 0.320 670 G HA3 0.479 4.471 3.960 0.054 0.000 0.320 670 G C -0.968 173.573 174.900 -0.598 0.000 1.137 670 G CA -0.398 44.095 45.100 -1.012 0.000 0.984 670 G HN 0.213 nan 8.290 nan 0.000 0.462 671 L N 2.060 122.983 121.223 -0.500 0.000 2.325 671 L HA 0.364 4.736 4.340 0.054 0.000 0.278 671 L C 0.379 177.063 176.870 -0.310 0.000 1.023 671 L CA -0.964 53.679 54.840 -0.327 0.000 0.811 671 L CB 1.857 43.797 42.059 -0.198 0.000 1.249 671 L HN 0.467 nan 8.230 nan 0.000 0.431 672 D N 2.371 122.619 120.400 -0.253 0.000 2.434 672 D HA -0.033 4.639 4.640 0.054 0.000 0.252 672 D C 1.202 177.415 176.300 -0.145 0.000 1.185 672 D CA 0.137 54.020 54.000 -0.195 0.000 0.886 672 D CB 0.861 41.560 40.800 -0.169 0.000 1.148 672 D HN 0.486 nan 8.370 nan 0.000 0.483 673 R N 3.215 123.640 120.500 -0.124 0.000 2.139 673 R HA -0.170 4.202 4.340 0.054 0.000 0.243 673 R C 0.770 177.030 176.300 -0.067 0.000 1.145 673 R CA 1.689 57.737 56.100 -0.086 0.000 0.976 673 R CB 0.300 30.562 30.300 -0.063 0.000 0.866 673 R HN 0.556 nan 8.270 nan 0.000 0.449 674 D N -1.746 118.614 120.400 -0.066 0.000 2.394 674 D HA -0.077 4.596 4.640 0.054 0.000 0.237 674 D C 1.599 177.865 176.300 -0.058 0.000 1.028 674 D CA 1.218 55.186 54.000 -0.053 0.000 0.937 674 D CB -0.679 40.094 40.800 -0.045 0.000 1.072 674 D HN 0.087 nan 8.370 nan 0.000 0.457 675 T N -0.755 113.758 114.554 -0.068 0.000 3.007 675 T HA 0.084 4.466 4.350 0.054 0.000 0.270 675 T C 1.392 176.046 174.700 -0.076 0.000 1.107 675 T CA 1.619 63.678 62.100 -0.069 0.000 1.118 675 T CB -0.363 68.460 68.868 -0.075 0.000 0.889 675 T HN 0.413 nan 8.240 nan 0.000 0.506 676 G N 1.288 110.034 108.800 -0.089 0.000 2.184 676 G HA2 -0.273 3.719 3.960 0.054 0.000 0.264 676 G HA3 -0.273 3.719 3.960 0.054 0.000 0.264 676 G C -0.052 174.782 174.900 -0.111 0.000 0.975 676 G CA 0.490 45.535 45.100 -0.092 0.000 0.642 676 G HN 0.720 nan 8.290 nan 0.000 0.536 677 E N 0.502 120.624 120.200 -0.130 0.000 2.415 677 E HA 0.291 4.673 4.350 0.054 0.000 0.263 677 E C 0.422 176.904 176.600 -0.197 0.000 0.995 677 E CA -0.341 55.967 56.400 -0.153 0.000 0.915 677 E CB 0.550 30.149 29.700 -0.169 0.000 0.951 677 E HN 0.152 nan 8.360 nan 0.000 0.449 678 V N 7.097 126.905 119.914 -0.176 0.000 2.381 678 V HA 0.003 4.155 4.120 0.054 0.000 0.257 678 V C 0.985 176.908 176.094 -0.286 0.000 1.057 678 V CA 0.313 62.501 62.300 -0.188 0.000 1.013 678 V CB 0.570 32.328 31.823 -0.107 0.000 1.069 678 V HN 0.720 nan 8.190 nan 0.000 0.484 679 K N 3.344 123.470 120.400 -0.455 0.000 2.128 679 K HA 0.119 4.471 4.320 0.054 0.000 0.202 679 K C -0.163 175.896 176.600 -0.902 0.000 1.050 679 K CA 0.860 56.635 56.287 -0.854 0.000 0.966 679 K CB 0.346 32.135 32.500 -1.184 0.000 0.759 679 K HN 0.624 nan 8.250 nan 0.000 0.454 680 W N 0.393 121.635 121.300 -0.098 0.000 3.032 680 W HA 0.414 5.106 4.660 0.054 0.000 0.341 680 W C -0.840 175.796 176.519 0.195 0.000 1.202 680 W CA -0.977 56.424 57.345 0.094 0.000 1.132 680 W CB 1.116 30.649 29.460 0.122 0.000 1.465 680 W HN -0.213 nan 8.180 nan 0.000 0.576 681 E N 0.844 121.427 120.200 0.638 0.000 2.288 681 E HA 0.796 5.179 4.350 0.054 0.000 0.268 681 E C -1.126 175.843 176.600 0.614 0.000 0.885 681 E CA -0.733 55.968 56.400 0.503 0.000 0.767 681 E CB 2.062 31.959 29.700 0.327 0.000 1.220 681 E HN 0.584 nan 8.360 nan 0.000 0.427 682 A N 1.637 124.788 122.820 0.551 0.000 2.599 682 A HA 0.685 5.037 4.320 0.054 0.000 0.290 682 A C -0.672 177.147 177.584 0.391 0.000 1.101 682 A CA -0.354 51.961 52.037 0.464 0.000 0.674 682 A CB 1.431 20.769 19.000 0.563 0.000 1.277 682 A HN 0.641 nan 8.150 nan 0.000 0.419 683 T N -2.104 112.613 114.554 0.272 0.000 2.905 683 T HA 0.539 4.922 4.350 0.054 0.000 0.283 683 T C 0.793 175.586 174.700 0.155 0.000 1.031 683 T CA -0.560 61.704 62.100 0.273 0.000 1.002 683 T CB 1.209 70.177 68.868 0.167 0.000 1.200 683 T HN 0.594 nan 8.240 nan 0.000 0.560 684 R N -0.370 120.219 120.500 0.148 0.000 2.148 684 R HA 0.105 4.478 4.340 0.054 0.000 0.227 684 R C 2.172 178.452 176.300 -0.034 0.000 1.103 684 R CA 0.996 57.086 56.100 -0.016 0.000 0.983 684 R CB -0.669 29.670 30.300 0.065 0.000 0.874 684 R HN 0.615 nan 8.270 nan 0.000 0.451 685 I N 1.046 121.630 120.570 0.023 0.000 2.226 685 I HA -0.281 3.922 4.170 0.054 0.000 0.245 685 I C 1.563 177.781 176.117 0.168 0.000 1.100 685 I CA 1.317 62.648 61.300 0.052 0.000 1.374 685 I CB -0.268 37.763 38.000 0.052 0.000 1.057 685 I HN 0.151 nan 8.210 nan 0.000 0.413 686 D N 0.776 121.262 120.400 0.143 0.000 2.091 686 D HA -0.082 4.590 4.640 0.054 0.000 0.199 686 D C 2.327 178.781 176.300 0.258 0.000 0.980 686 D CA 1.184 55.340 54.000 0.260 0.000 0.831 686 D CB -0.213 40.679 40.800 0.153 0.000 0.987 686 D HN 0.304 nan 8.370 nan 0.000 0.460 687 L N 0.612 121.812 121.223 -0.038 0.000 2.275 687 L HA -0.080 4.293 4.340 0.054 0.000 0.215 687 L C 2.400 179.153 176.870 -0.195 0.000 1.119 687 L CA 0.066 54.756 54.840 -0.251 0.000 0.790 687 L CB -0.184 41.567 42.059 -0.512 0.000 0.919 687 L HN -0.016 nan 8.230 nan 0.000 0.443 688 I N -0.114 120.346 120.570 -0.182 0.000 2.454 688 I HA -0.251 3.951 4.170 0.054 0.000 0.254 688 I C 1.923 177.864 176.117 -0.293 0.000 1.156 688 I CA 1.514 62.644 61.300 -0.283 0.000 1.433 688 I CB -0.261 37.510 38.000 -0.382 0.000 1.082 688 I HN 0.029 nan 8.210 nan 0.000 0.432 689 F N -0.023 119.936 119.950 0.014 0.000 2.641 689 F HA 0.084 4.643 4.527 0.054 0.000 0.298 689 F C 2.231 178.065 175.800 0.056 0.000 1.146 689 F CA 0.822 58.880 58.000 0.098 0.000 1.464 689 F CB -0.464 38.690 39.000 0.256 0.000 1.101 689 F HN 0.169 nan 8.300 nan 0.000 0.585 690 G N -2.145 106.693 108.800 0.064 0.000 3.377 690 G HA2 0.084 4.076 3.960 0.054 0.000 0.257 690 G HA3 0.084 4.076 3.960 0.054 0.000 0.257 690 G C 1.174 176.028 174.900 -0.076 0.000 1.038 690 G CA 0.585 45.676 45.100 -0.016 0.000 0.809 690 G HN 0.275 nan 8.290 nan 0.000 0.526 691 S N 0.112 115.751 115.700 -0.101 0.000 2.748 691 S HA 0.110 4.612 4.470 0.054 0.000 0.241 691 S C 0.873 175.407 174.600 -0.110 0.000 1.064 691 S CA -0.186 57.943 58.200 -0.119 0.000 0.892 691 S CB -0.270 62.837 63.200 -0.155 0.000 0.810 691 S HN 0.316 nan 8.310 nan 0.000 0.555 692 N N 2.255 120.883 118.700 -0.120 0.000 2.458 692 N HA -0.012 4.760 4.740 0.054 0.000 0.258 692 N C 0.905 176.366 175.510 -0.082 0.000 1.219 692 N CA 0.708 53.690 53.050 -0.113 0.000 0.902 692 N CB 0.812 39.222 38.487 -0.128 0.000 1.076 692 N HN 0.440 nan 8.380 nan 0.000 0.455 693 D N 3.696 124.039 120.400 -0.094 0.000 2.123 693 D HA -0.239 4.433 4.640 0.054 0.000 0.196 693 D C 1.127 177.402 176.300 -0.042 0.000 0.992 693 D CA 1.608 55.562 54.000 -0.077 0.000 0.833 693 D CB -0.157 40.581 40.800 -0.104 0.000 0.954 693 D HN 0.571 nan 8.370 nan 0.000 0.455 694 R N -0.112 120.369 120.500 -0.033 0.000 2.093 694 R HA 0.163 4.536 4.340 0.054 0.000 0.224 694 R C 2.768 179.080 176.300 0.021 0.000 1.101 694 R CA 0.478 56.573 56.100 -0.008 0.000 0.979 694 R CB -0.190 30.108 30.300 -0.003 0.000 0.877 694 R HN 0.243 nan 8.270 nan 0.000 0.441 695 L N 0.125 121.364 121.223 0.026 0.000 2.141 695 L HA -0.104 4.269 4.340 0.054 0.000 0.209 695 L C 2.707 179.670 176.870 0.156 0.000 1.094 695 L CA 1.095 56.001 54.840 0.110 0.000 0.763 695 L CB -0.373 41.706 42.059 0.035 0.000 0.908 695 L HN 0.175 nan 8.230 nan 0.000 0.437 696 R N 0.415 120.963 120.500 0.081 0.000 2.092 696 R HA -0.145 4.228 4.340 0.054 0.000 0.231 696 R C 2.336 178.670 176.300 0.056 0.000 1.119 696 R CA 1.282 57.432 56.100 0.083 0.000 0.970 696 R CB -0.143 30.172 30.300 0.025 0.000 0.864 696 R HN 0.326 nan 8.270 nan 0.000 0.440 697 A N 0.814 123.646 122.820 0.020 0.000 1.933 697 A HA -0.116 4.237 4.320 0.054 0.000 0.218 697 A C 2.052 179.607 177.584 -0.047 0.000 1.175 697 A CA 1.196 53.223 52.037 -0.016 0.000 0.628 697 A CB -0.368 18.617 19.000 -0.025 0.000 0.814 697 A HN 0.335 nan 8.150 nan 0.000 0.444 698 I N -0.632 119.926 120.570 -0.020 0.000 2.286 698 I HA -0.168 4.035 4.170 0.054 0.000 0.245 698 I C 2.586 178.612 176.117 -0.151 0.000 1.104 698 I CA 1.220 62.460 61.300 -0.100 0.000 1.397 698 I CB -0.330 37.688 38.000 0.030 0.000 1.072 698 I HN 0.190 nan 8.210 nan 0.000 0.417 699 S N 0.553 116.289 115.700 0.060 0.000 2.382 699 S HA -0.195 4.307 4.470 0.054 0.000 0.228 699 S C 1.838 176.431 174.600 -0.011 0.000 1.027 699 S CA 1.362 59.638 58.200 0.126 0.000 0.991 699 S CB -0.291 63.179 63.200 0.450 0.000 0.823 699 S HN 0.472 nan 8.310 nan 0.000 0.469 700 E N 0.546 120.741 120.200 -0.009 0.000 2.110 700 E HA -0.111 4.272 4.350 0.054 0.000 0.193 700 E C 2.053 178.596 176.600 -0.095 0.000 0.988 700 E CA 1.112 57.498 56.400 -0.023 0.000 0.804 700 E CB -0.232 29.455 29.700 -0.022 0.000 0.745 700 E HN 0.276 nan 8.360 nan 0.000 0.458 701 V N 0.511 120.301 119.914 -0.208 0.000 2.261 701 V HA -0.271 3.881 4.120 0.054 0.000 0.246 701 V C 1.855 177.780 176.094 -0.281 0.000 1.047 701 V CA 1.817 63.943 62.300 -0.290 0.000 1.015 701 V CB -0.623 30.916 31.823 -0.474 0.000 0.642 701 V HN 0.334 nan 8.190 nan 0.000 0.446 702 Y N 0.591 120.687 120.300 -0.341 0.000 2.439 702 Y HA 0.004 4.586 4.550 0.054 0.000 0.292 702 Y C 2.358 178.114 175.900 -0.240 0.000 1.130 702 Y CA 0.547 58.379 58.100 -0.446 0.000 1.254 702 Y CB -0.289 37.518 38.460 -1.088 0.000 1.000 702 Y HN 0.360 nan 8.280 nan 0.000 0.554 703 G N -0.797 108.006 108.800 0.004 0.000 3.181 703 G HA2 0.037 4.029 3.960 0.054 0.000 0.219 703 G HA3 0.037 4.029 3.960 0.054 0.000 0.219 703 G C 0.205 175.156 174.900 0.084 0.000 1.182 703 G CA -0.135 45.052 45.100 0.145 0.000 0.791 703 G HN 0.055 nan 8.290 nan 0.000 0.537 704 S N -0.432 115.292 115.700 0.040 0.000 2.632 704 S HA 0.511 5.013 4.470 0.054 0.000 0.271 704 S C 1.733 176.360 174.600 0.046 0.000 1.260 704 S CA -0.057 58.160 58.200 0.029 0.000 1.010 704 S CB 1.620 64.818 63.200 -0.005 0.000 0.965 704 S HN 0.355 nan 8.310 nan 0.000 0.534 705 A N 1.670 124.514 122.820 0.040 0.000 1.884 705 A HA -0.168 4.185 4.320 0.054 0.000 0.219 705 A C 0.822 178.436 177.584 0.050 0.000 1.197 705 A CA 1.853 53.917 52.037 0.045 0.000 0.637 705 A CB -0.475 18.546 19.000 0.034 0.000 0.827 705 A HN 0.738 nan 8.150 nan 0.000 0.450 706 D N -1.444 118.979 120.400 0.039 0.000 2.895 706 D HA 0.547 5.219 4.640 0.054 0.000 0.258 706 D C 0.562 176.887 176.300 0.042 0.000 1.311 706 D CA 0.676 54.702 54.000 0.043 0.000 0.843 706 D CB 0.535 41.352 40.800 0.029 0.000 1.055 706 D HN 0.375 nan 8.370 nan 0.000 0.486 707 A N -0.284 122.569 122.820 0.054 0.000 2.456 707 A HA 0.075 4.427 4.320 0.054 0.000 0.237 707 A C 1.774 179.408 177.584 0.084 0.000 1.217 707 A CA -0.180 51.894 52.037 0.061 0.000 0.962 707 A CB 0.173 19.203 19.000 0.049 0.000 1.079 707 A HN 0.161 nan 8.150 nan 0.000 0.536 708 E N 1.104 121.354 120.200 0.083 0.000 2.085 708 E HA -0.274 4.108 4.350 0.054 0.000 0.194 708 E C 1.898 178.452 176.600 -0.077 0.000 0.994 708 E CA 1.692 58.123 56.400 0.052 0.000 0.801 708 E CB -0.124 29.654 29.700 0.130 0.000 0.743 708 E HN 0.582 nan 8.360 nan 0.000 0.453 709 K N 0.829 121.205 120.400 -0.039 0.000 2.103 709 K HA -0.227 4.126 4.320 0.054 0.000 0.207 709 K C 2.252 178.806 176.600 -0.077 0.000 1.048 709 K CA 1.630 57.826 56.287 -0.152 0.000 0.930 709 K CB -0.083 32.444 32.500 0.044 0.000 0.716 709 K HN -0.018 nan 8.250 nan 0.000 0.444 710 K N 0.597 120.988 120.400 -0.015 0.000 2.025 710 K HA -0.165 4.187 4.320 0.054 0.000 0.207 710 K C 2.200 178.862 176.600 0.103 0.000 1.049 710 K CA 1.186 57.503 56.287 0.051 0.000 0.933 710 K CB -0.171 32.386 32.500 0.097 0.000 0.714 710 K HN 0.135 nan 8.250 nan 0.000 0.438 711 L N 1.285 122.534 121.223 0.043 0.000 2.012 711 L HA -0.157 4.215 4.340 0.054 0.000 0.210 711 L C 2.038 178.836 176.870 -0.120 0.000 1.073 711 L CA 1.491 56.209 54.840 -0.205 0.000 0.748 711 L CB -0.583 41.325 42.059 -0.252 0.000 0.891 711 L HN 0.018 nan 8.230 nan 0.000 0.431 712 V N -0.200 119.636 119.914 -0.130 0.000 2.252 712 V HA -0.373 3.779 4.120 0.054 0.000 0.249 712 V C 2.527 178.607 176.094 -0.024 0.000 1.056 712 V CA 2.322 64.526 62.300 -0.162 0.000 1.022 712 V CB -0.974 30.583 31.823 -0.444 0.000 0.641 712 V HN 0.592 nan 8.190 nan 0.000 0.445 713 H N -0.432 118.591 119.070 -0.078 0.000 2.389 713 H HA -0.082 4.507 4.556 0.054 0.000 0.299 713 H C 2.118 177.465 175.328 0.032 0.000 1.081 713 H CA 1.496 57.542 56.048 -0.004 0.000 1.345 713 H CB -0.300 29.460 29.762 -0.004 0.000 1.393 713 H HN 0.413 nan 8.280 nan 0.000 0.520 714 D N -0.347 120.140 120.400 0.146 0.000 2.149 714 D HA -0.131 4.541 4.640 0.054 0.000 0.201 714 D C 1.912 178.247 176.300 0.059 0.000 0.972 714 D CA 0.554 54.615 54.000 0.102 0.000 0.835 714 D CB -0.439 40.434 40.800 0.123 0.000 0.966 714 D HN 0.284 nan 8.370 nan 0.000 0.476 715 F N 1.210 121.109 119.950 -0.085 0.000 2.102 715 F HA -0.200 4.359 4.527 0.054 0.000 0.298 715 F C 2.120 177.928 175.800 0.013 0.000 1.105 715 F CA 1.054 59.008 58.000 -0.077 0.000 1.239 715 F CB -0.287 38.623 39.000 -0.151 0.000 0.991 715 F HN -0.217 nan 8.300 nan 0.000 0.474 716 V N 0.805 120.784 119.914 0.109 0.000 2.332 716 V HA -0.322 3.831 4.120 0.054 0.000 0.248 716 V C 2.098 178.210 176.094 0.030 0.000 1.055 716 V CA 2.295 64.629 62.300 0.056 0.000 1.038 716 V CB -0.744 31.088 31.823 0.016 0.000 0.651 716 V HN 0.332 nan 8.190 nan 0.000 0.450 717 D N -0.248 120.166 120.400 0.023 0.000 2.117 717 D HA -0.134 4.539 4.640 0.054 0.000 0.197 717 D C 2.273 178.568 176.300 -0.008 0.000 0.987 717 D CA 1.877 55.892 54.000 0.024 0.000 0.829 717 D CB -0.362 40.463 40.800 0.043 0.000 0.961 717 D HN 0.409 nan 8.370 nan 0.000 0.460 718 T N 0.374 114.899 114.554 -0.049 0.000 2.857 718 T HA -0.130 4.252 4.350 0.054 0.000 0.266 718 T C 1.619 176.273 174.700 -0.077 0.000 1.048 718 T CA 0.536 62.596 62.100 -0.066 0.000 1.139 718 T CB -0.171 68.645 68.868 -0.086 0.000 0.874 718 T HN 0.356 nan 8.240 nan 0.000 0.455 719 W N 1.668 122.761 121.300 -0.344 0.000 2.335 719 W HA -0.175 4.518 4.660 0.055 0.000 0.311 719 W C 2.557 179.013 176.519 -0.104 0.000 1.213 719 W CA 1.551 58.733 57.345 -0.271 0.000 1.274 719 W CB -0.632 28.582 29.460 -0.411 0.000 1.148 719 W HN 0.268 nan 8.180 nan 0.000 0.498 720 S N 0.596 116.313 115.700 0.028 0.000 2.368 720 S HA -0.260 4.243 4.470 0.054 0.000 0.225 720 S C 2.033 176.547 174.600 -0.143 0.000 1.030 720 S CA 1.964 60.142 58.200 -0.036 0.000 0.999 720 S CB -0.578 62.653 63.200 0.051 0.000 0.844 720 S HN 0.376 nan 8.310 nan 0.000 0.459 721 K N 0.380 120.708 120.400 -0.119 0.000 2.009 721 K HA -0.084 4.268 4.320 0.054 0.000 0.210 721 K C 1.936 178.407 176.600 -0.216 0.000 1.049 721 K CA 1.868 58.073 56.287 -0.138 0.000 0.929 721 K CB -0.396 32.054 32.500 -0.083 0.000 0.714 721 K HN 0.312 nan 8.250 nan 0.000 0.440 722 V N 1.512 121.286 119.914 -0.233 0.000 2.343 722 V HA -0.269 3.883 4.120 0.054 0.000 0.247 722 V C 2.487 178.332 176.094 -0.416 0.000 1.051 722 V CA 1.552 63.672 62.300 -0.302 0.000 1.036 722 V CB -0.397 31.280 31.823 -0.244 0.000 0.654 722 V HN 0.430 nan 8.190 nan 0.000 0.451 723 M N -0.263 119.053 119.600 -0.473 0.000 2.267 723 M HA -0.142 4.370 4.480 0.054 0.000 0.263 723 M C 1.775 177.876 176.300 -0.332 0.000 1.063 723 M CA 1.659 56.703 55.300 -0.426 0.000 1.090 723 M CB -0.972 31.391 32.600 -0.395 0.000 1.392 723 M HN 0.367 nan 8.290 nan 0.000 0.422 724 K N -0.593 119.611 120.400 -0.327 0.000 2.358 724 K HA 0.240 4.592 4.320 0.054 0.000 0.200 724 K C 1.734 178.067 176.600 -0.445 0.000 1.030 724 K CA -0.195 55.892 56.287 -0.332 0.000 1.097 724 K CB 0.380 32.727 32.500 -0.255 0.000 0.862 724 K HN 0.216 nan 8.250 nan 0.000 0.534 725 L N 1.932 122.827 121.223 -0.546 0.000 2.051 725 L HA -0.247 4.125 4.340 0.054 0.000 0.214 725 L C 1.639 177.836 176.870 -1.121 0.000 1.076 725 L CA 1.547 55.890 54.840 -0.830 0.000 0.758 725 L CB -0.422 40.974 42.059 -1.104 0.000 0.890 725 L HN 0.368 nan 8.230 nan 0.000 0.433 726 D N -1.406 118.424 120.400 -0.950 0.000 2.325 726 D HA -0.073 4.599 4.640 0.054 0.000 0.225 726 D C 0.800 176.524 176.300 -0.961 0.000 1.096 726 D CA -0.062 53.368 54.000 -0.950 0.000 0.844 726 D CB -0.112 40.535 40.800 -0.255 0.000 0.925 726 D HN 0.006 nan 8.370 nan 0.000 0.513 727 R N 0.871 120.920 120.500 -0.752 0.000 4.556 727 R HA 0.157 4.529 4.340 0.054 0.000 0.197 727 R C 0.249 176.322 176.300 -0.379 0.000 1.791 727 R CA -0.329 55.495 56.100 -0.459 0.000 1.526 727 R CB -1.512 28.593 30.300 -0.325 0.000 1.410 727 R HN 0.313 nan 8.270 nan 0.000 0.826 728 F N 0.552 120.474 119.950 -0.047 0.000 2.365 728 F HA -0.152 4.408 4.527 0.055 0.000 0.300 728 F C 2.016 177.798 175.800 -0.031 0.000 1.090 728 F CA 0.722 58.709 58.000 -0.021 0.000 1.408 728 F CB 0.047 39.057 39.000 0.017 0.000 1.060 728 F HN 0.253 nan 8.300 nan 0.000 0.534 729 D N 0.822 121.268 120.400 0.077 0.000 2.310 729 D HA -0.143 4.529 4.640 0.054 0.000 0.212 729 D C 1.540 177.832 176.300 -0.015 0.000 0.965 729 D CA 1.016 55.030 54.000 0.023 0.000 0.879 729 D CB -0.463 40.326 40.800 -0.019 0.000 0.921 729 D HN 0.357 nan 8.370 nan 0.000 0.510 730 L N -0.010 121.189 121.223 -0.040 0.000 2.640 730 L HA 0.227 4.599 4.340 0.054 0.000 0.230 730 L C 0.943 177.795 176.870 -0.030 0.000 1.123 730 L CA -0.183 54.625 54.840 -0.054 0.000 0.900 730 L CB 0.065 42.066 42.059 -0.098 0.000 1.146 730 L HN -0.124 nan 8.230 nan 0.000 0.484 731 E N 0.000 120.203 120.200 0.005 0.000 2.725 731 E HA 0.000 4.382 4.350 0.054 0.000 0.291 731 E CA 0.000 56.412 56.400 0.020 0.000 0.976 731 E CB 0.000 29.745 29.700 0.074 0.000 0.812 731 E HN 0.000 nan 8.360 nan 0.000 0.440