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 2fkn_1_C DATA FIRST_RESID 7 DATA SEQUENCE SIRANRGTEL ECLGWEQEAV LRMLRNNLDP EVAEKPEDLI VYGGIGKAAR DATA SEQUENCE DWDAFHAIEH SLKTLKNDET LLVQSGKPVG MFRTHPQAPR VLLANSVLVP DATA SEQUENCE KWADWEHFHE LEKKGLMMYG QMTAGSWIYI GSQGILQGTY ETFAELARQH DATA SEQUENCE FGGSLKGTLT LTAGLGGMGG AQPLSVTMNE GVVIAVEVDE KRIDKRIETK DATA SEQUENCE YCDRKTASIE EALAWAEEAK LAGKPLSIAL LGNAAEVHHT LLNRGVKIDI DATA SEQUENCE VTDQTSAHDP LIGYVPEGYS LDEADRLRQD TPELYVRLAK QSMKKHVEAM DATA SEQUENCE LAFQQKGSIV FDYGNNIRQV AKDEGLENAF DFPGFVPAYI RPLFCEGKGP DATA SEQUENCE FRWAALSGDP ADIYRTDALL KELFPTNKAL HRWIDMAQEK VTFQGLPSRI DATA SEQUENCE CWLGYGERKK MGLAINELVR TGELKAPVVI GRDHLDCGSV ASPNRETEAM DATA SEQUENCE KDGSDAVGDW AVLNALVNTA AGASWVSFHH GGGVGMGYSL HAGMVAVADG DATA SEQUENCE SELADERLAR VLTSDPGMGI IRHADAGYER AVEVAKEQDI IVPM 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.608 174.600 0.014 0.000 1.055 7 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 7 S CB 0.000 63.204 63.200 0.006 0.000 0.593 8 I N 3.106 123.697 120.570 0.035 0.000 2.577 8 I HA 0.772 4.944 4.170 0.002 0.000 0.305 8 I C 0.319 176.484 176.117 0.081 0.000 0.986 8 I CA -0.687 60.657 61.300 0.073 0.000 1.189 8 I CB 1.783 39.833 38.000 0.083 0.000 1.355 8 I HN 0.869 nan 8.210 nan 0.000 0.476 9 R N 3.529 124.086 120.500 0.094 0.000 2.690 9 R HA 0.673 5.015 4.340 0.002 0.000 0.269 9 R C -1.764 174.589 176.300 0.088 0.000 1.037 9 R CA -0.674 55.479 56.100 0.087 0.000 0.877 9 R CB 1.491 31.833 30.300 0.071 0.000 1.255 9 R HN 0.692 nan 8.270 nan 0.000 0.467 10 A N 2.561 125.432 122.820 0.086 0.000 2.425 10 A HA 0.279 4.600 4.320 0.002 0.000 0.249 10 A C -0.305 177.322 177.584 0.071 0.000 1.084 10 A CA -0.399 51.687 52.037 0.082 0.000 0.781 10 A CB 0.161 19.216 19.000 0.093 0.000 1.019 10 A HN 0.746 nan 8.150 nan 0.000 0.490 11 N N 0.884 119.622 118.700 0.063 0.000 2.340 11 N HA 0.240 4.981 4.740 0.002 0.000 0.236 11 N C 0.208 175.763 175.510 0.075 0.000 1.296 11 N CA 0.372 53.455 53.050 0.054 0.000 0.896 11 N CB 0.249 38.756 38.487 0.033 0.000 1.127 11 N HN 0.581 nan 8.380 nan 0.000 0.442 12 R N -0.237 120.305 120.500 0.070 0.000 2.888 12 R HA 0.699 5.040 4.340 0.002 0.000 0.264 12 R C 0.444 176.802 176.300 0.098 0.000 1.045 12 R CA -0.475 55.675 56.100 0.083 0.000 0.962 12 R CB 0.615 30.950 30.300 0.058 0.000 1.210 12 R HN 0.769 nan 8.270 nan 0.000 0.479 13 G N -0.114 108.754 108.800 0.112 0.000 2.698 13 G HA2 -0.331 3.630 3.960 0.002 0.000 0.233 13 G HA3 -0.331 3.630 3.960 0.002 0.000 0.233 13 G C 0.439 175.475 174.900 0.225 0.000 1.352 13 G CA 0.230 45.406 45.100 0.127 0.000 0.879 13 G HN 0.718 nan 8.290 nan 0.000 0.567 14 T N -2.022 112.659 114.554 0.211 0.000 3.086 14 T HA 0.374 4.725 4.350 0.002 0.000 0.250 14 T C 0.784 175.569 174.700 0.141 0.000 1.074 14 T CA 1.196 63.495 62.100 0.332 0.000 0.988 14 T CB 0.297 69.334 68.868 0.282 0.000 0.988 14 T HN 0.756 nan 8.240 nan 0.000 0.530 15 E N 1.087 121.311 120.200 0.041 0.000 2.344 15 E HA 0.335 4.686 4.350 0.002 0.000 0.270 15 E C -0.989 175.506 176.600 -0.176 0.000 1.021 15 E CA -0.595 55.773 56.400 -0.053 0.000 0.887 15 E CB 0.393 30.075 29.700 -0.029 0.000 0.997 15 E HN 0.178 nan 8.360 nan 0.000 0.429 16 L N 4.016 125.080 121.223 -0.266 0.000 2.360 16 L HA 0.235 4.576 4.340 0.002 0.000 0.271 16 L C 1.008 177.742 176.870 -0.227 0.000 1.057 16 L CA 0.322 54.937 54.840 -0.375 0.000 0.803 16 L CB 1.452 43.206 42.059 -0.508 0.000 1.207 16 L HN 0.723 nan 8.230 nan 0.000 0.445 17 E N -0.501 119.572 120.200 -0.212 0.000 2.434 17 E HA 0.165 4.516 4.350 0.002 0.000 0.207 17 E C -0.216 176.291 176.600 -0.155 0.000 0.929 17 E CA 0.035 56.346 56.400 -0.149 0.000 1.001 17 E CB 0.668 30.297 29.700 -0.118 0.000 1.016 17 E HN 0.682 nan 8.360 nan 0.000 0.502 18 C N -0.047 119.143 119.300 -0.182 0.000 2.464 18 C HA 0.312 4.773 4.460 0.002 0.000 0.398 18 C C 1.938 176.836 174.990 -0.154 0.000 1.451 18 C CA -0.626 58.298 59.018 -0.156 0.000 1.986 18 C CB 0.289 27.948 27.740 -0.136 0.000 2.004 18 C HN 0.342 nan 8.230 nan 0.000 0.530 19 L N 0.791 121.947 121.223 -0.112 0.000 2.313 19 L HA 0.230 4.572 4.340 0.002 0.000 0.214 19 L C 1.102 177.924 176.870 -0.080 0.000 1.119 19 L CA 1.008 55.796 54.840 -0.087 0.000 0.809 19 L CB -0.669 41.356 42.059 -0.056 0.000 0.933 19 L HN 0.876 nan 8.230 nan 0.000 0.449 20 G N -3.279 105.475 108.800 -0.076 0.000 2.695 20 G HA2 0.240 4.201 3.960 0.002 0.000 0.290 20 G HA3 0.240 4.201 3.960 0.002 0.000 0.290 20 G C -1.000 173.890 174.900 -0.017 0.000 1.410 20 G CA -0.672 44.411 45.100 -0.029 0.000 0.844 20 G HN -0.010 nan 8.290 nan 0.000 0.478 21 W N -0.482 120.842 121.300 0.041 0.000 2.363 21 W HA 0.020 4.682 4.660 0.003 0.000 0.296 21 W C 2.446 179.014 176.519 0.083 0.000 1.212 21 W CA 1.388 58.765 57.345 0.054 0.000 1.260 21 W CB 0.439 29.929 29.460 0.050 0.000 1.131 21 W HN 0.795 nan 8.180 nan 0.000 0.530 22 E N 0.196 120.601 120.200 0.341 0.000 2.058 22 E HA -0.313 4.038 4.350 0.002 0.000 0.194 22 E C 1.959 178.716 176.600 0.261 0.000 0.997 22 E CA 1.796 58.374 56.400 0.297 0.000 0.801 22 E CB -0.034 29.807 29.700 0.235 0.000 0.746 22 E HN 0.273 nan 8.360 nan 0.000 0.450 23 Q N 0.541 120.438 119.800 0.160 0.000 2.030 23 Q HA -0.179 4.162 4.340 0.002 0.000 0.204 23 Q C 2.175 178.206 176.000 0.052 0.000 0.986 23 Q CA 1.528 57.377 55.803 0.077 0.000 0.843 23 Q CB -0.165 28.581 28.738 0.014 0.000 0.904 23 Q HN 0.209 nan 8.270 nan 0.000 0.420 24 E N 0.163 120.388 120.200 0.042 0.000 2.114 24 E HA -0.258 4.093 4.350 0.002 0.000 0.199 24 E C 1.915 178.602 176.600 0.145 0.000 1.008 24 E CA 1.322 57.731 56.400 0.014 0.000 0.810 24 E CB -0.244 29.377 29.700 -0.133 0.000 0.739 24 E HN 0.393 nan 8.360 nan 0.000 0.456 25 A N 0.692 123.688 122.820 0.292 0.000 1.883 25 A HA -0.179 4.142 4.320 0.002 0.000 0.217 25 A C 2.606 180.327 177.584 0.228 0.000 1.186 25 A CA 1.807 54.065 52.037 0.368 0.000 0.624 25 A CB -0.761 18.541 19.000 0.503 0.000 0.822 25 A HN 0.158 nan 8.150 nan 0.000 0.444 26 V N -0.259 119.665 119.914 0.016 0.000 2.255 26 V HA -0.259 3.863 4.120 0.002 0.000 0.247 26 V C 2.492 178.410 176.094 -0.295 0.000 1.051 26 V CA 2.027 64.069 62.300 -0.429 0.000 1.018 26 V CB -0.972 30.636 31.823 -0.357 0.000 0.641 26 V HN 0.577 nan 8.190 nan 0.000 0.445 27 L N 0.230 121.343 121.223 -0.184 0.000 2.042 27 L HA -0.155 4.186 4.340 0.002 0.000 0.210 27 L C 2.603 179.405 176.870 -0.114 0.000 1.076 27 L CA 1.931 56.652 54.840 -0.198 0.000 0.749 27 L CB -0.658 41.314 42.059 -0.144 0.000 0.893 27 L HN 0.191 nan 8.230 nan 0.000 0.432 28 R N -1.626 118.872 120.500 -0.004 0.000 2.115 28 R HA -0.065 4.276 4.340 0.002 0.000 0.226 28 R C 2.033 178.389 176.300 0.094 0.000 1.100 28 R CA 1.334 57.473 56.100 0.066 0.000 0.980 28 R CB -0.312 30.070 30.300 0.136 0.000 0.875 28 R HN 0.353 nan 8.270 nan 0.000 0.445 29 M N 0.331 120.007 119.600 0.127 0.000 2.254 29 M HA -0.061 4.420 4.480 0.002 0.000 0.265 29 M C 2.194 178.578 176.300 0.139 0.000 1.066 29 M CA 0.975 56.412 55.300 0.228 0.000 1.123 29 M CB -0.846 32.036 32.600 0.469 0.000 1.388 29 M HN 0.129 nan 8.290 nan 0.000 0.425 30 L N 0.874 122.024 121.223 -0.123 0.000 1.994 30 L HA -0.146 4.195 4.340 0.002 0.000 0.208 30 L C 2.426 179.238 176.870 -0.097 0.000 1.071 30 L CA 1.956 56.526 54.840 -0.451 0.000 0.745 30 L CB -0.632 40.843 42.059 -0.973 0.000 0.892 30 L HN 0.168 nan 8.230 nan 0.000 0.431 31 R N -0.447 120.054 120.500 0.001 0.000 2.096 31 R HA -0.168 4.173 4.340 0.002 0.000 0.235 31 R C 2.189 178.557 176.300 0.115 0.000 1.127 31 R CA 1.427 57.602 56.100 0.124 0.000 0.968 31 R CB -0.676 29.697 30.300 0.121 0.000 0.861 31 R HN 0.495 nan 8.270 nan 0.000 0.440 32 N N 0.933 119.704 118.700 0.119 0.000 2.166 32 N HA -0.167 4.574 4.740 0.002 0.000 0.186 32 N C 1.336 176.955 175.510 0.181 0.000 1.019 32 N CA 1.287 54.424 53.050 0.145 0.000 0.856 32 N CB -0.158 38.424 38.487 0.159 0.000 0.993 32 N HN 0.084 nan 8.380 nan 0.000 0.426 33 N N -0.382 118.439 118.700 0.201 0.000 2.289 33 N HA -0.015 4.726 4.740 0.002 0.000 0.184 33 N C 0.616 176.222 175.510 0.160 0.000 1.016 33 N CA 0.746 53.943 53.050 0.244 0.000 0.872 33 N CB 0.018 38.674 38.487 0.282 0.000 0.973 33 N HN 0.347 nan 8.380 nan 0.000 0.433 34 L N -0.561 120.725 121.223 0.104 0.000 2.769 34 L HA 0.181 4.522 4.340 0.002 0.000 0.240 34 L C 0.128 177.047 176.870 0.082 0.000 1.163 34 L CA -0.289 54.585 54.840 0.057 0.000 0.962 34 L CB 0.054 42.094 42.059 -0.032 0.000 1.258 34 L HN 0.019 nan 8.230 nan 0.000 0.513 35 D N 1.530 121.996 120.400 0.109 0.000 2.425 35 D HA 0.042 4.683 4.640 0.002 0.000 0.247 35 D C -1.600 174.762 176.300 0.103 0.000 1.147 35 D CA -1.677 52.385 54.000 0.103 0.000 0.879 35 D CB 1.866 42.733 40.800 0.112 0.000 1.179 35 D HN -0.113 nan 8.370 nan 0.000 0.456 36 P HA -0.148 nan 4.420 nan 0.000 0.217 36 P C 0.718 178.073 177.300 0.092 0.000 1.148 36 P CA 1.257 64.405 63.100 0.081 0.000 0.834 36 P CB 0.253 31.991 31.700 0.065 0.000 0.783 37 E N -1.243 119.015 120.200 0.097 0.000 2.274 37 E HA -0.069 4.282 4.350 0.002 0.000 0.194 37 E C 1.597 178.272 176.600 0.126 0.000 0.996 37 E CA 0.721 57.184 56.400 0.105 0.000 0.840 37 E CB -0.080 29.682 29.700 0.103 0.000 0.772 37 E HN 0.144 nan 8.360 nan 0.000 0.491 38 V N 0.605 120.608 119.914 0.148 0.000 2.599 38 V HA 0.141 4.262 4.120 0.002 0.000 0.237 38 V C 0.964 177.227 176.094 0.281 0.000 1.081 38 V CA 0.645 63.069 62.300 0.207 0.000 1.107 38 V CB 0.021 31.981 31.823 0.229 0.000 0.808 38 V HN 0.137 nan 8.190 nan 0.000 0.486 39 A N 0.233 123.178 122.820 0.209 0.000 2.351 39 A HA 0.309 4.630 4.320 0.002 0.000 0.257 39 A C 1.151 178.804 177.584 0.114 0.000 1.087 39 A CA -0.204 51.922 52.037 0.148 0.000 0.798 39 A CB 0.329 19.377 19.000 0.080 0.000 1.033 39 A HN 0.348 nan 8.150 nan 0.000 0.488 40 E N 0.272 120.524 120.200 0.087 0.000 2.152 40 E HA -0.048 4.303 4.350 0.002 0.000 0.192 40 E C 0.362 176.997 176.600 0.059 0.000 0.983 40 E CA 1.203 57.651 56.400 0.080 0.000 0.818 40 E CB 0.134 29.884 29.700 0.082 0.000 0.758 40 E HN 0.601 nan 8.360 nan 0.000 0.467 41 K N 0.028 120.454 120.400 0.044 0.000 3.333 41 K HA 0.113 4.434 4.320 0.002 0.000 0.173 41 K C -2.271 174.353 176.600 0.041 0.000 1.138 41 K CA -0.748 55.564 56.287 0.042 0.000 0.771 41 K CB 1.119 33.638 32.500 0.033 0.000 0.982 41 K HN -0.205 nan 8.250 nan 0.000 0.572 42 P HA -0.251 nan 4.420 nan 0.000 0.218 42 P C 0.933 178.323 177.300 0.150 0.000 1.148 42 P CA 1.276 64.416 63.100 0.065 0.000 0.822 42 P CB 0.270 32.015 31.700 0.075 0.000 0.784 43 E N 0.483 120.779 120.200 0.159 0.000 2.267 43 E HA -0.188 4.163 4.350 0.002 0.000 0.197 43 E C 0.444 177.255 176.600 0.352 0.000 0.998 43 E CA 1.195 57.740 56.400 0.243 0.000 0.830 43 E CB -0.889 28.886 29.700 0.124 0.000 0.751 43 E HN 0.277 nan 8.360 nan 0.000 0.491 44 D N 0.510 121.010 120.400 0.166 0.000 2.501 44 D HA 0.251 4.892 4.640 0.002 0.000 0.226 44 D C 0.654 176.878 176.300 -0.126 0.000 1.198 44 D CA -0.231 53.811 54.000 0.071 0.000 0.830 44 D CB 0.486 41.312 40.800 0.044 0.000 1.014 44 D HN 0.108 nan 8.370 nan 0.000 0.496 45 L N -0.183 120.919 121.223 -0.202 0.000 4.884 45 L HA -0.244 4.097 4.340 0.002 0.000 0.430 45 L C 0.123 176.888 176.870 -0.175 0.000 1.087 45 L CA 0.543 55.163 54.840 -0.366 0.000 1.033 45 L CB -1.550 40.142 42.059 -0.611 0.000 2.030 45 L HN 0.189 nan 8.230 nan 0.000 0.762 46 I N -0.015 120.500 120.570 -0.093 0.000 2.379 46 I HA 0.053 4.224 4.170 0.002 0.000 0.290 46 I C 1.567 177.643 176.117 -0.067 0.000 1.063 46 I CA -0.256 61.002 61.300 -0.070 0.000 1.351 46 I CB 1.280 39.261 38.000 -0.033 0.000 1.410 46 I HN -0.086 nan 8.210 nan 0.000 0.505 47 V N 7.112 126.955 119.914 -0.119 0.000 2.374 47 V HA -0.017 4.104 4.120 0.002 0.000 0.241 47 V C 0.060 176.067 176.094 -0.145 0.000 1.034 47 V CA 0.984 63.191 62.300 -0.155 0.000 1.037 47 V CB -0.485 31.219 31.823 -0.197 0.000 0.682 47 V HN 0.849 nan 8.190 nan 0.000 0.463 48 Y N -3.005 117.126 120.300 -0.281 0.000 2.925 48 Y HA 0.583 5.134 4.550 0.002 0.000 0.349 48 Y C 0.245 176.111 175.900 -0.057 0.000 1.342 48 Y CA -0.920 57.072 58.100 -0.180 0.000 1.093 48 Y CB 0.540 38.831 38.460 -0.282 0.000 1.571 48 Y HN 0.312 nan 8.280 nan 0.000 0.438 49 G N 1.334 110.208 108.800 0.123 0.000 2.372 49 G HA2 0.284 4.245 3.960 0.002 0.000 0.290 49 G HA3 0.284 4.245 3.960 0.002 0.000 0.290 49 G C 1.047 176.066 174.900 0.199 0.000 0.965 49 G CA 1.673 46.831 45.100 0.096 0.000 1.263 49 G HN 2.795 nan 8.290 nan 0.000 0.498 50 G N 0.055 108.974 108.800 0.199 0.000 2.652 50 G HA2 -0.164 3.798 3.960 0.002 0.000 0.278 50 G HA3 -0.164 3.798 3.960 0.002 0.000 0.278 50 G C 0.908 175.857 174.900 0.081 0.000 1.263 50 G CA 0.857 46.042 45.100 0.141 0.000 0.966 50 G HN 2.094 nan 8.290 nan 0.000 0.544 51 I N 0.353 121.010 120.570 0.145 0.000 3.637 51 I HA 0.624 4.795 4.170 0.002 0.000 0.342 51 I C 0.873 177.089 176.117 0.165 0.000 1.545 51 I CA 0.079 61.457 61.300 0.129 0.000 1.126 51 I CB 0.324 38.412 38.000 0.147 0.000 1.375 51 I HN 0.719 nan 8.210 nan 0.000 0.467 52 G N 2.260 111.054 108.800 -0.010 0.000 2.367 52 G HA2 0.292 4.253 3.960 0.002 0.000 0.280 52 G HA3 0.292 4.253 3.960 0.002 0.000 0.280 52 G C -0.259 174.509 174.900 -0.220 0.000 1.175 52 G CA -0.282 44.640 45.100 -0.296 0.000 1.001 52 G HN 0.422 nan 8.290 nan 0.000 0.437 53 K N 1.433 121.764 120.400 -0.116 0.000 2.211 53 K HA 0.597 4.918 4.320 0.002 0.000 0.237 53 K C 0.974 177.572 176.600 -0.003 0.000 1.002 53 K CA -0.568 55.677 56.287 -0.071 0.000 0.885 53 K CB 2.091 34.562 32.500 -0.049 0.000 1.136 53 K HN 0.340 nan 8.250 nan 0.000 0.448 54 A N 0.376 123.226 122.820 0.049 0.000 2.044 54 A HA 0.378 4.699 4.320 0.002 0.000 0.213 54 A C 0.358 178.163 177.584 0.368 0.000 1.169 54 A CA 0.899 53.108 52.037 0.285 0.000 0.724 54 A CB 0.174 19.299 19.000 0.209 0.000 0.840 54 A HN 0.596 nan 8.150 nan 0.000 0.463 55 A N -1.839 121.050 122.820 0.116 0.000 2.606 55 A HA 0.641 4.962 4.320 0.002 0.000 0.293 55 A C 0.465 178.037 177.584 -0.020 0.000 1.082 55 A CA -0.235 51.866 52.037 0.107 0.000 0.685 55 A CB 0.561 19.638 19.000 0.128 0.000 1.284 55 A HN 0.120 nan 8.150 nan 0.000 0.408 56 R N -0.153 120.352 120.500 0.009 0.000 2.083 56 R HA -0.074 4.267 4.340 0.002 0.000 0.237 56 R C -0.093 176.163 176.300 -0.074 0.000 1.137 56 R CA 2.730 58.821 56.100 -0.015 0.000 0.951 56 R CB -0.023 30.284 30.300 0.010 0.000 0.851 56 R HN 0.939 nan 8.270 nan 0.000 0.434 57 D N -5.161 115.178 120.400 -0.101 0.000 2.692 57 D HA 0.044 4.686 4.640 0.002 0.000 0.303 57 D C -0.259 175.942 176.300 -0.164 0.000 1.278 57 D CA -0.755 53.154 54.000 -0.153 0.000 0.852 57 D CB -0.697 40.096 40.800 -0.013 0.000 1.375 57 D HN -0.070 nan 8.370 nan 0.000 0.453 58 W N 0.068 121.390 121.300 0.036 0.000 2.402 58 W HA -0.022 4.639 4.660 0.002 0.000 0.286 58 W C 1.312 177.897 176.519 0.109 0.000 1.221 58 W CA 0.849 58.211 57.345 0.027 0.000 1.257 58 W CB -0.077 29.412 29.460 0.049 0.000 1.120 58 W HN 0.376 nan 8.180 nan 0.000 0.551 59 D N 0.071 120.670 120.400 0.332 0.000 2.097 59 D HA -0.170 4.472 4.640 0.002 0.000 0.195 59 D C 2.241 178.656 176.300 0.191 0.000 0.989 59 D CA 1.879 56.040 54.000 0.267 0.000 0.827 59 D CB -0.973 39.927 40.800 0.166 0.000 0.966 59 D HN 0.099 nan 8.370 nan 0.000 0.456 60 A N 0.596 123.492 122.820 0.127 0.000 1.883 60 A HA -0.197 4.124 4.320 0.002 0.000 0.217 60 A C 2.146 179.776 177.584 0.077 0.000 1.186 60 A CA 1.251 53.340 52.037 0.086 0.000 0.624 60 A CB -1.102 17.936 19.000 0.063 0.000 0.822 60 A HN 0.255 nan 8.150 nan 0.000 0.444 61 F N 0.618 120.523 119.950 -0.075 0.000 2.065 61 F HA -0.267 4.261 4.527 0.002 0.000 0.298 61 F C 2.464 178.211 175.800 -0.088 0.000 1.112 61 F CA 2.403 60.315 58.000 -0.148 0.000 1.212 61 F CB -0.423 38.418 39.000 -0.266 0.000 0.975 61 F HN 0.395 nan 8.300 nan 0.000 0.476 62 H N -0.204 118.930 119.070 0.107 0.000 2.457 62 H HA 0.042 4.599 4.556 0.002 0.000 0.294 62 H C 2.333 177.624 175.328 -0.062 0.000 1.064 62 H CA 1.121 57.163 56.048 -0.011 0.000 1.330 62 H CB -0.879 28.976 29.762 0.155 0.000 1.395 62 H HN 0.431 nan 8.280 nan 0.000 0.541 63 A N 1.063 123.927 122.820 0.073 0.000 1.897 63 A HA -0.057 4.265 4.320 0.002 0.000 0.215 63 A C 2.627 180.211 177.584 0.000 0.000 1.181 63 A CA 0.744 52.801 52.037 0.033 0.000 0.620 63 A CB -0.604 18.409 19.000 0.023 0.000 0.821 63 A HN 0.248 nan 8.150 nan 0.000 0.443 64 I N -0.320 120.200 120.570 -0.083 0.000 2.179 64 I HA -0.273 3.898 4.170 0.002 0.000 0.242 64 I C 2.513 178.507 176.117 -0.204 0.000 1.088 64 I CA 1.594 62.816 61.300 -0.130 0.000 1.357 64 I CB -0.517 37.366 38.000 -0.195 0.000 1.051 64 I HN 0.444 nan 8.210 nan 0.000 0.409 65 E N -0.141 119.864 120.200 -0.326 0.000 2.058 65 E HA -0.300 4.051 4.350 0.002 0.000 0.194 65 E C 2.179 178.702 176.600 -0.128 0.000 0.997 65 E CA 1.372 57.596 56.400 -0.293 0.000 0.801 65 E CB -0.315 29.201 29.700 -0.308 0.000 0.746 65 E HN 0.545 nan 8.360 nan 0.000 0.450 66 H N 0.517 119.512 119.070 -0.126 0.000 2.353 66 H HA -0.045 4.512 4.556 0.002 0.000 0.300 66 H C 2.117 177.400 175.328 -0.075 0.000 1.090 66 H CA 1.695 57.695 56.048 -0.080 0.000 1.327 66 H CB 0.201 29.933 29.762 -0.049 0.000 1.383 66 H HN 0.015 nan 8.280 nan 0.000 0.508 67 S N 0.564 116.312 115.700 0.080 0.000 2.368 67 S HA -0.114 4.357 4.470 0.002 0.000 0.225 67 S C 2.316 176.884 174.600 -0.053 0.000 1.030 67 S CA 0.890 59.111 58.200 0.034 0.000 0.999 67 S CB -0.196 63.025 63.200 0.034 0.000 0.844 67 S HN 0.185 nan 8.310 nan 0.000 0.459 68 L N 1.756 122.927 121.223 -0.086 0.000 2.083 68 L HA -0.020 4.321 4.340 0.002 0.000 0.209 68 L C 2.053 178.853 176.870 -0.116 0.000 1.083 68 L CA 1.674 56.454 54.840 -0.100 0.000 0.752 68 L CB -0.853 41.119 42.059 -0.145 0.000 0.899 68 L HN 0.244 nan 8.230 nan 0.000 0.433 69 K N -1.184 119.119 120.400 -0.161 0.000 2.283 69 K HA -0.072 4.249 4.320 0.002 0.000 0.202 69 K C 1.459 177.958 176.600 -0.167 0.000 1.048 69 K CA 1.512 57.694 56.287 -0.175 0.000 0.948 69 K CB -0.127 32.241 32.500 -0.219 0.000 0.742 69 K HN 0.514 nan 8.250 nan 0.000 0.458 70 T N -2.029 112.425 114.554 -0.165 0.000 3.040 70 T HA 0.180 4.531 4.350 0.002 0.000 0.266 70 T C 0.254 174.913 174.700 -0.069 0.000 1.005 70 T CA -0.567 61.458 62.100 -0.124 0.000 0.906 70 T CB 0.058 68.839 68.868 -0.144 0.000 1.082 70 T HN -0.087 nan 8.240 nan 0.000 0.531 71 L N 2.800 123.990 121.223 -0.056 0.000 2.455 71 L HA 0.371 4.712 4.340 0.002 0.000 0.272 71 L C 0.038 176.900 176.870 -0.012 0.000 1.174 71 L CA 0.160 54.987 54.840 -0.022 0.000 0.869 71 L CB 0.356 42.412 42.059 -0.006 0.000 1.130 71 L HN 0.111 nan 8.230 nan 0.000 0.474 72 K N 4.042 124.441 120.400 -0.001 0.000 2.118 72 K HA 0.224 4.545 4.320 0.002 0.000 0.264 72 K C 0.921 177.539 176.600 0.029 0.000 1.000 72 K CA -0.495 55.796 56.287 0.008 0.000 0.929 72 K CB 0.555 33.058 32.500 0.005 0.000 1.021 72 K HN 0.599 nan 8.250 nan 0.000 0.463 73 N N 1.330 120.052 118.700 0.037 0.000 2.588 73 N HA -0.181 4.560 4.740 0.002 0.000 0.190 73 N C 0.367 175.916 175.510 0.064 0.000 1.094 73 N CA 1.000 54.086 53.050 0.059 0.000 0.921 73 N CB 0.067 38.590 38.487 0.060 0.000 0.959 73 N HN 0.536 nan 8.380 nan 0.000 0.448 74 D N 0.461 120.890 120.400 0.048 0.000 2.389 74 D HA 0.088 4.729 4.640 0.002 0.000 0.206 74 D C 0.062 176.381 176.300 0.031 0.000 1.055 74 D CA 0.287 54.311 54.000 0.041 0.000 0.856 74 D CB 0.542 41.357 40.800 0.025 0.000 0.957 74 D HN 0.246 nan 8.370 nan 0.000 0.509 75 E N -0.977 119.246 120.200 0.039 0.000 2.243 75 E HA 0.532 4.883 4.350 0.002 0.000 0.260 75 E C -0.715 175.928 176.600 0.071 0.000 0.985 75 E CA -0.664 55.762 56.400 0.043 0.000 0.858 75 E CB 1.816 31.532 29.700 0.025 0.000 1.210 75 E HN -0.187 nan 8.360 nan 0.000 0.411 76 T N 1.502 116.109 114.554 0.088 0.000 2.881 76 T HA 0.300 4.651 4.350 0.002 0.000 0.291 76 T C -1.054 173.717 174.700 0.118 0.000 0.990 76 T CA -0.651 61.518 62.100 0.114 0.000 0.976 76 T CB 0.736 69.683 68.868 0.130 0.000 0.970 76 T HN 0.185 nan 8.240 nan 0.000 0.438 77 L N 4.418 125.704 121.223 0.105 0.000 2.350 77 L HA 0.602 4.943 4.340 0.002 0.000 0.275 77 L C -1.059 175.883 176.870 0.121 0.000 1.099 77 L CA -0.346 54.551 54.840 0.095 0.000 0.808 77 L CB 0.414 42.524 42.059 0.084 0.000 1.149 77 L HN 0.578 nan 8.230 nan 0.000 0.442 78 L N 5.835 127.130 121.223 0.121 0.000 2.305 78 L HA 0.546 4.887 4.340 0.002 0.000 0.284 78 L C -0.947 175.986 176.870 0.105 0.000 1.013 78 L CA -0.864 54.052 54.840 0.127 0.000 0.819 78 L CB 1.708 43.867 42.059 0.166 0.000 1.227 78 L HN 0.315 nan 8.230 nan 0.000 0.417 79 V N 3.331 123.302 119.914 0.094 0.000 2.409 79 V HA 0.308 4.429 4.120 0.002 0.000 0.291 79 V C -0.161 175.973 176.094 0.067 0.000 1.020 79 V CA -0.560 61.791 62.300 0.086 0.000 0.848 79 V CB 1.748 33.620 31.823 0.082 0.000 0.990 79 V HN 0.702 nan 8.190 nan 0.000 0.430 80 Q N 2.974 122.812 119.800 0.064 0.000 2.368 80 Q HA 0.309 4.650 4.340 0.002 0.000 0.263 80 Q C 0.015 176.040 176.000 0.041 0.000 1.009 80 Q CA -0.167 55.667 55.803 0.052 0.000 0.818 80 Q CB 1.508 30.276 28.738 0.050 0.000 1.239 80 Q HN 0.885 nan 8.270 nan 0.000 0.464 81 S N 3.322 119.037 115.700 0.025 0.000 3.447 81 S HA -0.227 4.245 4.470 0.002 0.000 0.371 81 S C 0.836 175.454 174.600 0.030 0.000 0.951 81 S CA 1.125 59.335 58.200 0.016 0.000 1.269 81 S CB -1.638 61.587 63.200 0.041 0.000 0.919 81 S HN 1.186 nan 8.310 nan 0.000 0.516 82 G N 0.205 109.028 108.800 0.039 0.000 2.168 82 G HA2 -0.333 3.628 3.960 0.002 0.000 0.263 82 G HA3 -0.333 3.628 3.960 0.002 0.000 0.263 82 G C -0.181 174.784 174.900 0.109 0.000 0.977 82 G CA 0.923 46.083 45.100 0.099 0.000 0.659 82 G HN 0.821 nan 8.290 nan 0.000 0.533 83 K N 0.958 121.409 120.400 0.084 0.000 2.345 83 K HA 0.527 4.848 4.320 0.002 0.000 0.255 83 K C -2.702 173.944 176.600 0.078 0.000 0.934 83 K CA -2.409 53.922 56.287 0.073 0.000 0.801 83 K CB 2.614 35.142 32.500 0.047 0.000 1.137 83 K HN -0.023 nan 8.250 nan 0.000 0.424 84 P HA 0.021 nan 4.420 nan 0.000 0.275 84 P C 0.392 177.719 177.300 0.046 0.000 1.276 84 P CA -0.224 62.916 63.100 0.067 0.000 0.782 84 P CB 0.846 32.578 31.700 0.054 0.000 0.851 85 V N 1.151 121.096 119.914 0.052 0.000 3.528 85 V HA 0.618 4.739 4.120 0.002 0.000 0.294 85 V C 0.554 176.670 176.094 0.037 0.000 1.404 85 V CA 0.459 62.785 62.300 0.043 0.000 1.065 85 V CB 0.125 31.981 31.823 0.054 0.000 0.904 85 V HN 0.595 nan 8.190 nan 0.000 0.435 86 G N -0.196 108.623 108.800 0.032 0.000 2.523 86 G HA2 0.575 4.536 3.960 0.002 0.000 0.291 86 G HA3 0.575 4.536 3.960 0.002 0.000 0.291 86 G C -1.849 173.006 174.900 -0.076 0.000 1.450 86 G CA -0.362 44.719 45.100 -0.032 0.000 0.790 86 G HN 0.247 nan 8.290 nan 0.000 0.496 87 M N 0.766 120.165 119.600 -0.336 0.000 2.274 87 M HA 0.582 5.063 4.480 0.002 0.000 0.272 87 M C -2.251 173.746 176.300 -0.505 0.000 1.053 87 M CA -0.478 54.684 55.300 -0.231 0.000 0.978 87 M CB 1.410 33.926 32.600 -0.140 0.000 1.836 87 M HN 0.465 nan 8.290 nan 0.000 0.484 88 F N 2.232 122.185 119.950 0.006 0.000 2.593 88 F HA 0.609 5.137 4.527 0.002 0.000 0.320 88 F C 0.383 176.170 175.800 -0.021 0.000 1.060 88 F CA -0.765 57.230 58.000 -0.008 0.000 0.940 88 F CB 1.470 40.464 39.000 -0.010 0.000 1.268 88 F HN 0.520 nan 8.300 nan 0.000 0.475 89 R N 0.833 121.425 120.500 0.154 0.000 2.347 89 R HA 0.408 4.749 4.340 0.002 0.000 0.304 89 R C -0.031 176.251 176.300 -0.031 0.000 1.072 89 R CA 0.437 56.560 56.100 0.038 0.000 0.980 89 R CB 0.761 31.067 30.300 0.010 0.000 0.986 89 R HN 1.011 nan 8.270 nan 0.000 0.448 90 T N 0.680 115.173 114.554 -0.102 0.000 2.206 90 T HA 0.343 4.694 4.350 0.002 0.000 0.168 90 T C -0.390 173.949 174.700 -0.601 0.000 0.753 90 T CA -0.482 61.453 62.100 -0.276 0.000 1.041 90 T CB 0.331 69.172 68.868 -0.044 0.000 2.919 90 T HN 0.713 nan 8.240 nan 0.000 0.392 91 H N 0.583 119.687 119.070 0.057 0.000 3.016 91 H HA 0.453 5.011 4.556 0.002 0.000 0.362 91 H C -2.226 173.135 175.328 0.055 0.000 1.233 91 H CA -1.685 54.392 56.048 0.049 0.000 1.124 91 H CB 1.891 31.677 29.762 0.041 0.000 1.850 91 H HN 0.198 nan 8.280 nan 0.000 0.549 92 P HA -0.189 nan 4.420 nan 0.000 0.220 92 P C 0.779 178.151 177.300 0.119 0.000 1.148 92 P CA 1.298 64.472 63.100 0.124 0.000 0.803 92 P CB 0.493 32.253 31.700 0.100 0.000 0.782 93 Q N -0.532 119.341 119.800 0.122 0.000 2.403 93 Q HA 0.236 4.577 4.340 0.002 0.000 0.203 93 Q C 0.736 176.799 176.000 0.104 0.000 0.932 93 Q CA 0.061 55.919 55.803 0.092 0.000 0.945 93 Q CB -0.396 28.375 28.738 0.056 0.000 1.045 93 Q HN 0.059 nan 8.270 nan 0.000 0.511 94 A N 2.389 125.293 122.820 0.139 0.000 2.286 94 A HA 0.597 4.918 4.320 0.002 0.000 0.286 94 A C -2.424 175.240 177.584 0.134 0.000 1.097 94 A CA -1.667 50.453 52.037 0.138 0.000 0.821 94 A CB 0.057 19.161 19.000 0.173 0.000 1.076 94 A HN 0.048 nan 8.150 nan 0.000 0.490 95 P HA 0.083 nan 4.420 nan 0.000 0.266 95 P C 0.490 177.894 177.300 0.175 0.000 1.195 95 P CA -0.147 63.053 63.100 0.168 0.000 0.768 95 P CB 0.457 32.258 31.700 0.168 0.000 0.838 96 R N 1.239 121.865 120.500 0.210 0.000 2.119 96 R HA 0.081 4.423 4.340 0.002 0.000 0.222 96 R C 0.214 176.615 176.300 0.168 0.000 1.088 96 R CA 0.935 57.141 56.100 0.177 0.000 0.984 96 R CB -0.253 30.160 30.300 0.189 0.000 0.884 96 R HN 0.326 nan 8.270 nan 0.000 0.447 97 V N 1.646 121.690 119.914 0.216 0.000 2.709 97 V HA 0.335 4.456 4.120 0.002 0.000 0.308 97 V C -0.940 175.267 176.094 0.189 0.000 1.062 97 V CA -0.951 61.457 62.300 0.179 0.000 0.901 97 V CB 2.444 34.349 31.823 0.136 0.000 1.003 97 V HN -0.103 nan 8.190 nan 0.000 0.425 98 L N 5.165 126.472 121.223 0.140 0.000 2.362 98 L HA 0.754 5.095 4.340 0.002 0.000 0.275 98 L C -0.892 176.037 176.870 0.098 0.000 0.998 98 L CA -0.248 54.669 54.840 0.127 0.000 0.820 98 L CB 1.589 43.716 42.059 0.112 0.000 1.270 98 L HN 0.491 nan 8.230 nan 0.000 0.415 99 L N 3.297 124.580 121.223 0.100 0.000 2.408 99 L HA 0.912 5.253 4.340 0.002 0.000 0.268 99 L C -0.326 176.644 176.870 0.166 0.000 0.986 99 L CA -0.554 54.336 54.840 0.084 0.000 0.820 99 L CB 2.064 44.117 42.059 -0.010 0.000 1.303 99 L HN 0.632 nan 8.230 nan 0.000 0.411 100 A N 2.402 125.308 122.820 0.144 0.000 2.410 100 A HA 0.796 5.117 4.320 0.002 0.000 0.289 100 A C -1.094 176.547 177.584 0.095 0.000 1.200 100 A CA -0.606 51.550 52.037 0.198 0.000 0.751 100 A CB 0.360 19.462 19.000 0.169 0.000 1.161 100 A HN 0.614 nan 8.150 nan 0.000 0.459 101 N N 0.855 119.554 118.700 -0.001 0.000 2.321 101 N HA 0.482 5.223 4.740 0.002 0.000 0.299 101 N C 0.205 175.659 175.510 -0.092 0.000 1.048 101 N CA 0.173 53.114 53.050 -0.182 0.000 0.836 101 N CB 1.697 39.828 38.487 -0.595 0.000 1.269 101 N HN 0.642 nan 8.380 nan 0.000 0.486 102 S N -1.396 114.339 115.700 0.058 0.000 3.270 102 S HA -0.145 4.326 4.470 0.002 0.000 0.293 102 S C 0.273 175.054 174.600 0.302 0.000 1.278 102 S CA 0.391 58.720 58.200 0.215 0.000 1.038 102 S CB -1.637 61.670 63.200 0.178 0.000 1.218 102 S HN 0.452 nan 8.310 nan 0.000 0.659 103 V N 2.177 122.211 119.914 0.200 0.000 2.572 103 V HA 0.374 4.495 4.120 0.002 0.000 0.291 103 V C 0.432 176.564 176.094 0.064 0.000 1.039 103 V CA 0.334 62.720 62.300 0.143 0.000 1.055 103 V CB 0.841 32.768 31.823 0.174 0.000 0.969 103 V HN 0.393 nan 8.190 nan 0.000 0.482 104 L N 4.631 125.797 121.223 -0.094 0.000 2.401 104 L HA 0.536 4.877 4.340 0.002 0.000 0.266 104 L C -0.383 176.452 176.870 -0.058 0.000 0.991 104 L CA -1.065 53.762 54.840 -0.022 0.000 0.818 104 L CB 2.254 44.364 42.059 0.085 0.000 1.321 104 L HN 0.293 nan 8.230 nan 0.000 0.413 105 V N 3.616 123.543 119.914 0.021 0.000 2.599 105 V HA -0.030 4.091 4.120 0.002 0.000 0.300 105 V C -1.239 174.953 176.094 0.163 0.000 1.034 105 V CA -0.517 61.829 62.300 0.076 0.000 1.115 105 V CB 0.792 32.658 31.823 0.073 0.000 0.934 105 V HN 0.709 nan 8.190 nan 0.000 0.485 106 P HA -0.253 nan 4.420 nan 0.000 0.221 106 P C 1.547 178.850 177.300 0.005 0.000 1.160 106 P CA 1.379 64.486 63.100 0.012 0.000 0.933 106 P CB 0.107 31.804 31.700 -0.004 0.000 0.793 107 K N -2.277 118.124 120.400 0.003 0.000 2.442 107 K HA -0.090 4.231 4.320 0.002 0.000 0.198 107 K C 1.208 177.545 176.600 -0.438 0.000 1.044 107 K CA 0.897 57.006 56.287 -0.297 0.000 0.948 107 K CB -0.486 31.658 32.500 -0.593 0.000 0.762 107 K HN 0.345 nan 8.250 nan 0.000 0.472 108 W N -0.597 120.637 121.300 -0.111 0.000 2.991 108 W HA 0.383 5.044 4.660 0.002 0.000 0.391 108 W C -0.176 176.333 176.519 -0.016 0.000 1.054 108 W CA -0.529 56.734 57.345 -0.137 0.000 1.856 108 W CB 0.220 29.509 29.460 -0.286 0.000 1.132 108 W HN -0.115 nan 8.180 nan 0.000 0.601 109 A N 2.398 125.291 122.820 0.120 0.000 3.056 109 A HA 0.330 4.651 4.320 0.002 0.000 0.274 109 A C -0.529 177.085 177.584 0.050 0.000 1.661 109 A CA 0.354 52.450 52.037 0.098 0.000 1.363 109 A CB -1.014 17.978 19.000 -0.014 0.000 1.139 109 A HN 0.237 nan 8.150 nan 0.000 0.598 110 D N -2.201 118.234 120.400 0.059 0.000 2.579 110 D HA 0.348 4.990 4.640 0.002 0.000 0.257 110 D C 0.285 176.579 176.300 -0.010 0.000 1.176 110 D CA -0.786 53.212 54.000 -0.003 0.000 0.914 110 D CB 0.146 40.995 40.800 0.082 0.000 1.431 110 D HN 0.217 nan 8.370 nan 0.000 0.454 111 W N -0.071 121.273 121.300 0.073 0.000 2.402 111 W HA 0.006 4.667 4.660 0.002 0.000 0.286 111 W C 1.703 178.281 176.519 0.098 0.000 1.221 111 W CA 0.602 57.937 57.345 -0.017 0.000 1.257 111 W CB 0.018 29.465 29.460 -0.021 0.000 1.120 111 W HN 0.499 nan 8.180 nan 0.000 0.551 112 E N -0.753 119.677 120.200 0.383 0.000 2.023 112 E HA -0.288 4.064 4.350 0.002 0.000 0.196 112 E C 1.718 178.508 176.600 0.317 0.000 1.003 112 E CA 1.883 58.487 56.400 0.341 0.000 0.809 112 E CB -0.744 29.107 29.700 0.251 0.000 0.755 112 E HN 0.297 nan 8.360 nan 0.000 0.449 113 H N -0.956 118.239 119.070 0.208 0.000 2.423 113 H HA -0.067 4.491 4.556 0.002 0.000 0.297 113 H C 1.683 177.111 175.328 0.167 0.000 1.075 113 H CA 1.300 57.467 56.048 0.197 0.000 1.342 113 H CB -0.243 29.671 29.762 0.253 0.000 1.395 113 H HN 0.214 nan 8.280 nan 0.000 0.530 114 F N 0.052 120.017 119.950 0.024 0.000 2.134 114 F HA -0.233 4.295 4.527 0.002 0.000 0.299 114 F C 2.201 177.952 175.800 -0.081 0.000 1.097 114 F CA 1.698 59.647 58.000 -0.084 0.000 1.264 114 F CB -0.276 38.629 39.000 -0.159 0.000 1.001 114 F HN 0.273 nan 8.300 nan 0.000 0.479 115 H N 0.156 119.350 119.070 0.205 0.000 2.357 115 H HA -0.139 4.418 4.556 0.002 0.000 0.301 115 H C 2.211 177.483 175.328 -0.094 0.000 1.082 115 H CA 1.646 57.731 56.048 0.062 0.000 1.342 115 H CB -0.720 29.146 29.762 0.174 0.000 1.389 115 H HN 0.509 nan 8.280 nan 0.000 0.511 116 E N 0.857 121.074 120.200 0.028 0.000 2.085 116 E HA -0.144 4.207 4.350 0.002 0.000 0.194 116 E C 2.105 178.604 176.600 -0.168 0.000 0.994 116 E CA 0.845 57.214 56.400 -0.052 0.000 0.801 116 E CB -0.049 29.630 29.700 -0.035 0.000 0.743 116 E HN 0.351 nan 8.360 nan 0.000 0.453 117 L N 0.553 121.582 121.223 -0.324 0.000 2.131 117 L HA -0.094 4.247 4.340 0.002 0.000 0.206 117 L C 2.750 179.443 176.870 -0.295 0.000 1.087 117 L CA 1.296 55.941 54.840 -0.326 0.000 0.767 117 L CB -0.423 41.395 42.059 -0.402 0.000 0.917 117 L HN 0.277 nan 8.230 nan 0.000 0.441 118 E N 0.661 120.615 120.200 -0.409 0.000 2.077 118 E HA -0.280 4.071 4.350 0.002 0.000 0.193 118 E C 2.008 178.521 176.600 -0.144 0.000 0.989 118 E CA 1.288 57.486 56.400 -0.336 0.000 0.800 118 E CB 0.172 29.645 29.700 -0.379 0.000 0.746 118 E HN 0.107 nan 8.360 nan 0.000 0.452 119 K N 0.884 121.226 120.400 -0.096 0.000 2.209 119 K HA -0.067 4.254 4.320 0.002 0.000 0.204 119 K C 1.614 178.183 176.600 -0.051 0.000 1.048 119 K CA 1.135 57.392 56.287 -0.049 0.000 0.940 119 K CB 0.046 32.530 32.500 -0.027 0.000 0.729 119 K HN 0.109 nan 8.250 nan 0.000 0.451 120 K N -0.927 119.429 120.400 -0.073 0.000 2.444 120 K HA 0.112 4.434 4.320 0.002 0.000 0.193 120 K C 0.491 177.058 176.600 -0.054 0.000 1.024 120 K CA 0.550 56.803 56.287 -0.057 0.000 1.077 120 K CB 0.381 32.843 32.500 -0.064 0.000 0.833 120 K HN 0.290 nan 8.250 nan 0.000 0.517 121 G N 1.278 110.040 108.800 -0.064 0.000 2.147 121 G HA2 -0.205 3.756 3.960 0.002 0.000 0.244 121 G HA3 -0.205 3.756 3.960 0.002 0.000 0.244 121 G C 0.333 175.198 174.900 -0.058 0.000 1.005 121 G CA -0.217 44.853 45.100 -0.049 0.000 0.713 121 G HN 0.170 nan 8.290 nan 0.000 0.515 122 L N -0.977 120.190 121.223 -0.094 0.000 2.693 122 L HA 0.608 4.949 4.340 0.002 0.000 0.235 122 L C 1.054 177.856 176.870 -0.114 0.000 1.127 122 L CA 0.516 55.302 54.840 -0.091 0.000 0.914 122 L CB -0.010 41.990 42.059 -0.098 0.000 1.193 122 L HN 0.365 nan 8.230 nan 0.000 0.502 123 M N -0.600 118.899 119.600 -0.168 0.000 2.618 123 M HA 0.490 4.972 4.480 0.002 0.000 0.281 123 M C -1.266 174.992 176.300 -0.071 0.000 1.267 123 M CA -0.216 54.971 55.300 -0.188 0.000 0.845 123 M CB 2.934 35.189 32.600 -0.576 0.000 1.732 123 M HN -0.025 nan 8.290 nan 0.000 0.461 124 M N 1.390 121.075 119.600 0.141 0.000 2.414 124 M HA 0.345 4.827 4.480 0.002 0.000 0.287 124 M C -2.268 174.316 176.300 0.473 0.000 1.181 124 M CA -0.627 54.833 55.300 0.267 0.000 0.933 124 M CB 2.505 35.173 32.600 0.113 0.000 1.732 124 M HN 0.651 nan 8.290 nan 0.000 0.486 125 Y N 2.545 123.025 120.300 0.300 0.000 2.341 125 Y HA 0.598 5.149 4.550 0.002 0.000 0.340 125 Y C 0.589 176.461 175.900 -0.047 0.000 0.997 125 Y CA -0.050 58.094 58.100 0.073 0.000 1.149 125 Y CB 1.750 40.217 38.460 0.013 0.000 1.171 125 Y HN 0.785 nan 8.280 nan 0.000 0.494 126 G N 4.012 112.567 108.800 -0.407 0.000 3.088 126 G HA2 0.056 4.018 3.960 0.002 0.000 0.217 126 G HA3 0.056 4.018 3.960 0.002 0.000 0.217 126 G C 0.454 175.032 174.900 -0.538 0.000 1.159 126 G CA 0.093 44.900 45.100 -0.489 0.000 0.760 126 G HN 0.658 nan 8.290 nan 0.000 0.550 127 Q N -1.058 118.066 119.800 -1.127 0.000 1.795 127 Q HA -0.308 4.033 4.340 0.002 0.000 0.404 127 Q C 1.722 177.588 176.000 -0.223 0.000 0.847 127 Q CA 1.972 57.250 55.803 -0.876 0.000 0.799 127 Q CB -1.116 27.074 28.738 -0.914 0.000 3.822 127 Q HN 0.420 nan 8.270 nan 0.000 0.742 128 M N -1.438 118.061 119.600 -0.169 0.000 2.969 128 M HA 0.006 4.487 4.480 0.002 0.000 0.234 128 M C 1.878 177.865 176.300 -0.522 0.000 1.409 128 M CA 1.488 56.536 55.300 -0.419 0.000 1.314 128 M CB 0.030 32.423 32.600 -0.346 0.000 1.130 128 M HN 0.704 nan 8.290 nan 0.000 0.558 129 T N -1.551 112.987 114.554 -0.026 0.000 3.086 129 T HA 0.390 4.741 4.350 0.002 0.000 0.250 129 T C 1.476 176.340 174.700 0.274 0.000 1.074 129 T CA 0.434 62.619 62.100 0.143 0.000 0.988 129 T CB 0.011 69.040 68.868 0.269 0.000 0.988 129 T HN 0.233 nan 8.240 nan 0.000 0.530 130 A N 2.028 124.965 122.820 0.195 0.000 1.854 130 A HA 0.400 4.721 4.320 0.002 0.000 0.214 130 A C 2.531 180.197 177.584 0.136 0.000 1.192 130 A CA 1.164 53.255 52.037 0.090 0.000 0.611 130 A CB -1.362 17.495 19.000 -0.239 0.000 0.832 130 A HN 0.560 nan 8.150 nan 0.000 0.442 131 G N -0.648 108.176 108.800 0.041 0.000 2.744 131 G HA2 0.103 4.064 3.960 0.002 0.000 0.211 131 G HA3 0.103 4.064 3.960 0.002 0.000 0.211 131 G C 1.286 176.011 174.900 -0.291 0.000 1.143 131 G CA 1.284 46.366 45.100 -0.030 0.000 0.788 131 G HN 0.854 nan 8.290 nan 0.000 0.534 132 S N -1.350 114.276 115.700 -0.123 0.000 2.593 132 S HA 0.147 4.619 4.470 0.002 0.000 0.236 132 S C 0.318 174.958 174.600 0.067 0.000 0.991 132 S CA -0.530 57.547 58.200 -0.205 0.000 0.963 132 S CB -0.412 62.853 63.200 0.109 0.000 0.865 132 S HN 0.440 nan 8.310 nan 0.000 0.488 133 W N 0.678 122.167 121.300 0.316 0.000 6.562 133 W HA -0.176 4.485 4.660 0.002 0.000 0.418 133 W C -0.006 176.779 176.519 0.443 0.000 1.645 133 W CA -0.217 57.319 57.345 0.318 0.000 1.086 133 W CB -2.472 27.092 29.460 0.174 0.000 2.865 133 W HN 0.513 nan 8.180 nan 0.000 1.517 134 I N -0.368 120.514 120.570 0.521 0.000 3.554 134 I HA 0.222 4.393 4.170 0.002 0.000 0.321 134 I C -0.297 175.991 176.117 0.286 0.000 1.484 134 I CA -1.325 60.204 61.300 0.382 0.000 0.975 134 I CB -0.264 37.900 38.000 0.273 0.000 1.528 134 I HN -0.001 nan 8.210 nan 0.000 0.609 135 Y N 3.055 123.473 120.300 0.196 0.000 2.319 135 Y HA 0.492 5.043 4.550 0.002 0.000 0.328 135 Y C 0.946 176.902 175.900 0.093 0.000 1.133 135 Y CA -0.202 57.964 58.100 0.110 0.000 1.265 135 Y CB 0.879 39.432 38.460 0.156 0.000 1.218 135 Y HN 0.269 nan 8.280 nan 0.000 0.508 136 I N 3.856 124.172 120.570 -0.422 0.000 3.176 136 I HA 0.662 4.833 4.170 0.002 0.000 0.339 136 I C 0.563 176.440 176.117 -0.400 0.000 1.505 136 I CA -0.061 61.086 61.300 -0.256 0.000 0.969 136 I CB -0.148 37.770 38.000 -0.137 0.000 1.636 136 I HN 0.848 nan 8.210 nan 0.000 0.523 137 G N 1.933 110.284 108.800 -0.749 0.000 2.553 137 G HA2 -0.284 3.677 3.960 0.002 0.000 0.242 137 G HA3 -0.284 3.677 3.960 0.002 0.000 0.242 137 G C 0.391 174.952 174.900 -0.565 0.000 1.277 137 G CA 0.116 44.957 45.100 -0.431 0.000 0.910 137 G HN 0.352 nan 8.290 nan 0.000 0.576 138 S N -0.043 115.446 115.700 -0.351 0.000 2.481 138 S HA -0.049 4.422 4.470 0.002 0.000 0.231 138 S C 2.053 176.501 174.600 -0.253 0.000 0.996 138 S CA 1.611 59.538 58.200 -0.454 0.000 0.942 138 S CB 0.012 62.588 63.200 -1.040 0.000 0.768 138 S HN 0.674 nan 8.310 nan 0.000 0.520 139 Q N 1.345 121.104 119.800 -0.068 0.000 2.170 139 Q HA -0.113 4.228 4.340 0.002 0.000 0.203 139 Q C 2.221 178.245 176.000 0.039 0.000 0.976 139 Q CA 1.410 57.280 55.803 0.112 0.000 0.858 139 Q CB -0.554 28.259 28.738 0.125 0.000 0.907 139 Q HN 0.595 nan 8.270 nan 0.000 0.433 140 G N 1.357 110.085 108.800 -0.121 0.000 2.503 140 G HA2 -0.285 3.676 3.960 0.002 0.000 0.221 140 G HA3 -0.285 3.676 3.960 0.002 0.000 0.221 140 G C 1.313 176.223 174.900 0.017 0.000 1.131 140 G CA 0.998 46.032 45.100 -0.109 0.000 0.756 140 G HN 0.512 nan 8.290 nan 0.000 0.572 141 I N -0.403 120.186 120.570 0.032 0.000 3.968 141 I HA 0.223 4.394 4.170 0.002 0.000 0.328 141 I C 2.168 178.408 176.117 0.205 0.000 1.290 141 I CA -0.150 61.233 61.300 0.137 0.000 1.163 141 I CB 0.152 38.212 38.000 0.099 0.000 1.024 141 I HN 0.116 nan 8.210 nan 0.000 0.413 142 L N 1.283 122.628 121.223 0.204 0.000 1.997 142 L HA -0.317 4.024 4.340 0.002 0.000 0.216 142 L C 2.419 179.422 176.870 0.222 0.000 1.074 142 L CA 2.357 57.364 54.840 0.279 0.000 0.763 142 L CB -0.785 41.507 42.059 0.389 0.000 0.890 142 L HN 0.375 nan 8.230 nan 0.000 0.434 143 Q N -1.359 118.474 119.800 0.055 0.000 2.119 143 Q HA -0.130 4.211 4.340 0.002 0.000 0.201 143 Q C 2.053 177.813 176.000 -0.400 0.000 0.972 143 Q CA 1.419 56.924 55.803 -0.497 0.000 0.847 143 Q CB -0.422 27.689 28.738 -1.044 0.000 0.903 143 Q HN 0.644 nan 8.270 nan 0.000 0.433 144 G N -0.348 108.414 108.800 -0.063 0.000 2.440 144 G HA2 -0.261 3.700 3.960 0.002 0.000 0.218 144 G HA3 -0.261 3.700 3.960 0.002 0.000 0.218 144 G C 1.329 176.226 174.900 -0.004 0.000 1.154 144 G CA 1.359 46.454 45.100 -0.008 0.000 0.767 144 G HN 0.384 nan 8.290 nan 0.000 0.552 145 T N -0.295 114.331 114.554 0.120 0.000 2.812 145 T HA -0.103 4.249 4.350 0.002 0.000 0.264 145 T C 1.979 176.716 174.700 0.062 0.000 1.042 145 T CA 1.132 63.269 62.100 0.061 0.000 1.140 145 T CB -0.338 68.629 68.868 0.164 0.000 0.870 145 T HN 0.354 nan 8.240 nan 0.000 0.445 146 Y N 2.518 122.816 120.300 -0.005 0.000 2.165 146 Y HA -0.168 4.382 4.550 0.001 0.000 0.286 146 Y C 2.325 178.163 175.900 -0.103 0.000 1.155 146 Y CA 1.387 59.490 58.100 0.006 0.000 1.164 146 Y CB -0.271 38.213 38.460 0.041 0.000 0.978 146 Y HN 0.066 nan 8.280 nan 0.000 0.513 147 E N -0.465 119.461 120.200 -0.457 0.000 2.106 147 E HA -0.138 4.213 4.350 0.002 0.000 0.192 147 E C 2.190 178.507 176.600 -0.471 0.000 0.984 147 E CA 1.617 57.669 56.400 -0.581 0.000 0.806 147 E CB -0.571 28.726 29.700 -0.672 0.000 0.750 147 E HN 0.520 nan 8.360 nan 0.000 0.458 148 T N 0.928 115.245 114.554 -0.394 0.000 2.674 148 T HA -0.113 4.238 4.350 0.002 0.000 0.265 148 T C 1.671 175.956 174.700 -0.693 0.000 1.039 148 T CA 1.060 62.883 62.100 -0.463 0.000 1.150 148 T CB -0.369 68.202 68.868 -0.494 0.000 0.864 148 T HN 0.065 nan 8.240 nan 0.000 0.427 149 F N 1.485 121.133 119.950 -0.503 0.000 2.234 149 F HA 0.107 4.635 4.527 0.001 0.000 0.299 149 F C 2.575 178.118 175.800 -0.428 0.000 1.087 149 F CA 0.590 58.324 58.000 -0.444 0.000 1.340 149 F CB -0.727 38.095 39.000 -0.297 0.000 1.031 149 F HN 0.123 nan 8.300 nan 0.000 0.500 150 A N -0.428 122.174 122.820 -0.364 0.000 1.930 150 A HA -0.207 4.114 4.320 0.002 0.000 0.217 150 A C 2.087 179.514 177.584 -0.263 0.000 1.175 150 A CA 1.858 53.670 52.037 -0.375 0.000 0.627 150 A CB -0.632 17.980 19.000 -0.647 0.000 0.815 150 A HN 0.310 nan 8.150 nan 0.000 0.443 151 E N 0.183 120.197 120.200 -0.311 0.000 2.072 151 E HA -0.119 4.232 4.350 0.002 0.000 0.191 151 E C 1.864 178.335 176.600 -0.215 0.000 0.985 151 E CA 1.207 57.477 56.400 -0.217 0.000 0.801 151 E CB -0.488 29.110 29.700 -0.170 0.000 0.750 151 E HN 0.530 nan 8.360 nan 0.000 0.452 152 L N -0.317 120.613 121.223 -0.488 0.000 2.083 152 L HA -0.125 4.216 4.340 0.002 0.000 0.209 152 L C 2.223 179.098 176.870 0.008 0.000 1.083 152 L CA 1.579 56.145 54.840 -0.455 0.000 0.752 152 L CB -0.427 41.101 42.059 -0.885 0.000 0.899 152 L HN 0.269 nan 8.230 nan 0.000 0.433 153 A N -0.003 122.821 122.820 0.007 0.000 1.902 153 A HA -0.224 4.097 4.320 0.002 0.000 0.217 153 A C 2.315 179.961 177.584 0.103 0.000 1.181 153 A CA 1.599 53.731 52.037 0.159 0.000 0.623 153 A CB -0.510 18.528 19.000 0.062 0.000 0.818 153 A HN 0.464 nan 8.150 nan 0.000 0.443 154 R N -0.801 119.701 120.500 0.004 0.000 2.075 154 R HA -0.121 4.220 4.340 0.002 0.000 0.232 154 R C 2.460 178.727 176.300 -0.054 0.000 1.126 154 R CA 1.641 57.728 56.100 -0.021 0.000 0.963 154 R CB -0.283 29.990 30.300 -0.045 0.000 0.858 154 R HN 0.682 nan 8.270 nan 0.000 0.435 155 Q N -1.118 118.638 119.800 -0.074 0.000 2.119 155 Q HA -0.146 4.196 4.340 0.002 0.000 0.201 155 Q C 1.059 176.768 176.000 -0.486 0.000 0.972 155 Q CA 1.471 57.127 55.803 -0.244 0.000 0.847 155 Q CB 0.169 28.776 28.738 -0.218 0.000 0.903 155 Q HN 0.560 nan 8.270 nan 0.000 0.433 156 H N -2.952 116.001 119.070 -0.195 0.000 3.017 156 H HA 0.161 4.719 4.556 0.003 0.000 0.255 156 H C -0.231 174.658 175.328 -0.730 0.000 0.990 156 H CA 0.107 55.847 56.048 -0.513 0.000 1.205 156 H CB 0.728 30.023 29.762 -0.779 0.000 1.460 156 H HN 0.025 nan 8.280 nan 0.000 0.478 157 F N 0.182 120.187 119.950 0.092 0.000 2.831 157 F HA 0.396 4.924 4.527 0.001 0.000 0.355 157 F C 1.142 176.951 175.800 0.015 0.000 1.341 157 F CA -0.244 57.784 58.000 0.048 0.000 1.201 157 F CB 0.952 39.975 39.000 0.039 0.000 1.058 157 F HN 0.206 nan 8.300 nan 0.000 0.514 158 G N 0.337 109.193 108.800 0.094 0.000 2.233 158 G HA2 -0.083 3.878 3.960 0.002 0.000 0.270 158 G HA3 -0.083 3.878 3.960 0.002 0.000 0.270 158 G C 1.169 176.101 174.900 0.054 0.000 1.011 158 G CA 0.465 45.599 45.100 0.057 0.000 0.762 158 G HN 1.457 nan 8.290 nan 0.000 0.511 159 G N -2.451 106.386 108.800 0.062 0.000 2.149 159 G HA2 0.202 4.163 3.960 0.002 0.000 0.235 159 G HA3 0.202 4.163 3.960 0.002 0.000 0.235 159 G C 0.197 175.122 174.900 0.042 0.000 1.018 159 G CA 1.332 46.453 45.100 0.036 0.000 0.728 159 G HN 2.315 nan 8.290 nan 0.000 0.508 160 S N -1.568 114.174 115.700 0.069 0.000 2.542 160 S HA 0.562 5.033 4.470 0.002 0.000 0.276 160 S C 0.453 175.066 174.600 0.021 0.000 1.148 160 S CA -0.518 57.705 58.200 0.037 0.000 0.886 160 S CB 0.902 64.119 63.200 0.027 0.000 1.109 160 S HN 0.565 nan 8.310 nan 0.000 0.458 161 L N 2.540 123.735 121.223 -0.047 0.000 2.628 161 L HA 0.330 4.671 4.340 0.002 0.000 0.229 161 L C 1.113 177.887 176.870 -0.161 0.000 1.137 161 L CA -0.038 54.710 54.840 -0.154 0.000 0.909 161 L CB -0.140 41.815 42.059 -0.173 0.000 1.137 161 L HN 0.606 nan 8.230 nan 0.000 0.470 162 K N 1.100 121.446 120.400 -0.089 0.000 2.484 162 K HA 0.080 4.401 4.320 0.002 0.000 0.280 162 K C 1.116 177.662 176.600 -0.089 0.000 1.013 162 K CA 0.989 57.231 56.287 -0.075 0.000 1.029 162 K CB 0.294 32.772 32.500 -0.038 0.000 0.902 162 K HN 0.240 nan 8.250 nan 0.000 0.481 163 G N 2.561 111.307 108.800 -0.091 0.000 2.153 163 G HA2 -0.266 3.695 3.960 0.002 0.000 0.252 163 G HA3 -0.266 3.695 3.960 0.002 0.000 0.252 163 G C -0.033 174.786 174.900 -0.135 0.000 0.994 163 G CA 0.670 45.719 45.100 -0.085 0.000 0.698 163 G HN 0.870 nan 8.290 nan 0.000 0.521 164 T N -2.588 111.841 114.554 -0.208 0.000 2.908 164 T HA 0.744 5.095 4.350 0.002 0.000 0.290 164 T C -0.655 173.900 174.700 -0.240 0.000 1.034 164 T CA -0.891 61.028 62.100 -0.302 0.000 1.010 164 T CB 2.695 71.196 68.868 -0.612 0.000 1.068 164 T HN 1.145 nan 8.240 nan 0.000 0.481 165 L N 1.651 122.744 121.223 -0.218 0.000 2.333 165 L HA 0.688 5.029 4.340 0.002 0.000 0.280 165 L C -0.391 176.360 176.870 -0.198 0.000 1.004 165 L CA -0.013 54.719 54.840 -0.179 0.000 0.820 165 L CB 1.768 43.748 42.059 -0.133 0.000 1.247 165 L HN 0.941 nan 8.230 nan 0.000 0.416 166 T N 5.775 120.211 114.554 -0.197 0.000 2.824 166 T HA 0.597 4.948 4.350 0.002 0.000 0.280 166 T C -1.064 173.521 174.700 -0.191 0.000 0.995 166 T CA -0.225 61.768 62.100 -0.179 0.000 1.009 166 T CB 1.173 69.926 68.868 -0.192 0.000 0.955 166 T HN 0.523 nan 8.240 nan 0.000 0.452 167 L N 3.475 124.555 121.223 -0.238 0.000 2.341 167 L HA 0.841 5.182 4.340 0.002 0.000 0.278 167 L C -0.095 176.652 176.870 -0.205 0.000 1.005 167 L CA 0.275 54.942 54.840 -0.288 0.000 0.818 167 L CB 1.832 43.568 42.059 -0.539 0.000 1.259 167 L HN 0.726 nan 8.230 nan 0.000 0.418 168 T N 2.976 117.486 114.554 -0.073 0.000 2.626 168 T HA 0.953 5.305 4.350 0.002 0.000 0.299 168 T C -1.826 172.982 174.700 0.180 0.000 1.181 168 T CA 0.076 62.213 62.100 0.061 0.000 1.053 168 T CB 1.264 70.162 68.868 0.050 0.000 1.566 168 T HN 1.139 nan 8.240 nan 0.000 0.486 169 A N -0.756 122.176 122.820 0.186 0.000 2.601 169 A HA 0.788 5.109 4.320 0.002 0.000 0.291 169 A C 0.024 177.689 177.584 0.135 0.000 1.075 169 A CA 0.092 52.220 52.037 0.151 0.000 0.671 169 A CB 0.804 19.879 19.000 0.124 0.000 1.277 169 A HN 2.302 nan 8.150 nan 0.000 0.417 170 G N -0.460 108.395 108.800 0.091 0.000 3.269 170 G HA2 0.165 4.126 3.960 0.002 0.000 0.668 170 G HA3 0.165 4.126 3.960 0.002 0.000 0.668 170 G C -0.714 174.243 174.900 0.095 0.000 1.100 170 G CA -0.147 45.010 45.100 0.095 0.000 0.940 170 G HN 1.362 nan 8.290 nan 0.000 0.438 171 L N 2.896 124.163 121.223 0.073 0.000 2.935 171 L HA 0.498 4.839 4.340 0.002 0.000 0.243 171 L C 1.407 178.318 176.870 0.069 0.000 1.313 171 L CA -0.006 54.877 54.840 0.071 0.000 0.969 171 L CB 0.345 42.441 42.059 0.061 0.000 1.320 171 L HN 0.713 nan 8.230 nan 0.000 0.511 172 G N -0.655 108.197 108.800 0.086 0.000 2.574 172 G HA2 0.382 4.343 3.960 0.002 0.000 0.248 172 G HA3 0.382 4.343 3.960 0.002 0.000 0.248 172 G C 1.010 175.965 174.900 0.093 0.000 1.422 172 G CA 0.251 45.408 45.100 0.097 0.000 1.051 172 G HN 0.328 nan 8.290 nan 0.000 0.560 173 G N -0.542 108.339 108.800 0.135 0.000 2.491 173 G HA2 -0.205 3.756 3.960 0.002 0.000 0.218 173 G HA3 -0.205 3.756 3.960 0.002 0.000 0.218 173 G C 1.646 176.593 174.900 0.079 0.000 1.180 173 G CA 1.349 46.540 45.100 0.152 0.000 0.774 173 G HN 0.329 nan 8.290 nan 0.000 0.562 174 M N 0.445 120.106 119.600 0.102 0.000 2.325 174 M HA 0.136 4.617 4.480 0.002 0.000 0.265 174 M C 2.898 179.250 176.300 0.087 0.000 1.094 174 M CA 1.144 56.474 55.300 0.050 0.000 1.161 174 M CB -1.182 31.446 32.600 0.046 0.000 1.358 174 M HN 0.279 nan 8.290 nan 0.000 0.446 175 G N 0.381 109.254 108.800 0.122 0.000 2.448 175 G HA2 -0.130 3.831 3.960 0.002 0.000 0.219 175 G HA3 -0.130 3.831 3.960 0.002 0.000 0.219 175 G C 1.501 176.462 174.900 0.100 0.000 1.127 175 G CA 0.981 46.166 45.100 0.142 0.000 0.766 175 G HN 0.561 nan 8.290 nan 0.000 0.552 176 G N 0.727 109.554 108.800 0.046 0.000 2.501 176 G HA2 0.079 4.040 3.960 0.002 0.000 0.220 176 G HA3 0.079 4.040 3.960 0.002 0.000 0.220 176 G C 1.709 176.620 174.900 0.018 0.000 1.114 176 G CA 1.211 46.317 45.100 0.009 0.000 0.757 176 G HN 0.627 nan 8.290 nan 0.000 0.559 177 A N -0.169 122.664 122.820 0.022 0.000 2.208 177 A HA 0.178 4.499 4.320 0.002 0.000 0.209 177 A C 2.191 179.887 177.584 0.186 0.000 1.161 177 A CA 0.968 53.091 52.037 0.144 0.000 0.782 177 A CB -0.118 18.954 19.000 0.119 0.000 0.816 177 A HN 0.447 nan 8.150 nan 0.000 0.477 178 Q N 0.308 120.194 119.800 0.143 0.000 2.020 178 Q HA -0.140 4.201 4.340 0.002 0.000 0.202 178 Q C -0.511 175.495 176.000 0.010 0.000 0.982 178 Q CA 1.773 57.641 55.803 0.108 0.000 0.838 178 Q CB -1.118 27.689 28.738 0.115 0.000 0.899 178 Q HN 0.528 nan 8.270 nan 0.000 0.423 179 P HA -0.221 nan 4.420 nan 0.000 0.215 179 P C 1.506 178.787 177.300 -0.032 0.000 1.157 179 P CA 1.272 64.358 63.100 -0.024 0.000 0.874 179 P CB -0.130 31.582 31.700 0.021 0.000 0.790 180 L N -0.457 120.796 121.223 0.051 0.000 2.083 180 L HA -0.115 4.226 4.340 0.002 0.000 0.209 180 L C 2.417 179.305 176.870 0.030 0.000 1.083 180 L CA 1.637 56.488 54.840 0.018 0.000 0.752 180 L CB -0.634 41.447 42.059 0.037 0.000 0.899 180 L HN -0.001 nan 8.230 nan 0.000 0.433 181 S N -0.653 115.093 115.700 0.077 0.000 2.356 181 S HA -0.165 4.306 4.470 0.002 0.000 0.223 181 S C 1.895 176.467 174.600 -0.045 0.000 1.032 181 S CA 1.352 59.628 58.200 0.127 0.000 1.005 181 S CB -0.213 63.096 63.200 0.181 0.000 0.867 181 S HN 0.287 nan 8.310 nan 0.000 0.449 182 V N 1.308 121.024 119.914 -0.329 0.000 2.427 182 V HA -0.147 3.974 4.120 0.002 0.000 0.248 182 V C 2.546 178.504 176.094 -0.227 0.000 1.051 182 V CA 1.878 63.874 62.300 -0.505 0.000 1.048 182 V CB -1.151 30.283 31.823 -0.648 0.000 0.666 182 V HN 0.478 nan 8.190 nan 0.000 0.456 183 T N -0.085 114.380 114.554 -0.148 0.000 2.720 183 T HA -0.209 4.142 4.350 0.002 0.000 0.268 183 T C 1.810 176.477 174.700 -0.054 0.000 1.037 183 T CA 1.810 63.849 62.100 -0.102 0.000 1.144 183 T CB -0.282 68.529 68.868 -0.095 0.000 0.864 183 T HN 0.342 nan 8.240 nan 0.000 0.444 184 M N 0.896 120.496 119.600 0.001 0.000 2.460 184 M HA 0.019 4.500 4.480 0.002 0.000 0.263 184 M C 1.429 177.830 176.300 0.168 0.000 1.071 184 M CA 0.862 56.189 55.300 0.045 0.000 1.096 184 M CB -0.082 32.527 32.600 0.016 0.000 1.408 184 M HN 0.079 nan 8.290 nan 0.000 0.463 185 N N 0.699 119.483 118.700 0.141 0.000 2.314 185 N HA 0.018 4.759 4.740 0.002 0.000 0.200 185 N C -0.434 175.074 175.510 -0.003 0.000 1.135 185 N CA 0.353 53.460 53.050 0.094 0.000 0.835 185 N CB 0.313 38.797 38.487 -0.005 0.000 0.989 185 N HN 0.360 nan 8.380 nan 0.000 0.478 186 E N -1.351 118.835 120.200 -0.023 0.000 3.413 186 E HA -0.142 4.209 4.350 0.002 0.000 0.300 186 E C 0.473 177.019 176.600 -0.091 0.000 0.891 186 E CA 0.484 56.853 56.400 -0.052 0.000 1.050 186 E CB -1.443 28.237 29.700 -0.033 0.000 1.534 186 E HN 0.415 nan 8.360 nan 0.000 0.436 187 G N -0.222 108.500 108.800 -0.130 0.000 2.552 187 G HA2 0.623 4.584 3.960 0.002 0.000 0.318 187 G HA3 0.623 4.584 3.960 0.002 0.000 0.318 187 G C -0.118 174.684 174.900 -0.163 0.000 1.240 187 G CA -0.460 44.539 45.100 -0.169 0.000 1.002 187 G HN 0.038 nan 8.290 nan 0.000 0.493 188 V N -0.777 119.038 119.914 -0.166 0.000 2.713 188 V HA 0.722 4.844 4.120 0.002 0.000 0.307 188 V C -0.257 175.741 176.094 -0.159 0.000 1.052 188 V CA -0.655 61.564 62.300 -0.134 0.000 0.967 188 V CB 1.451 33.214 31.823 -0.100 0.000 1.019 188 V HN 0.645 nan 8.190 nan 0.000 0.459 189 V N 5.033 124.871 119.914 -0.127 0.000 2.924 189 V HA 0.576 4.697 4.120 0.002 0.000 0.300 189 V C -1.482 174.568 176.094 -0.073 0.000 1.227 189 V CA -0.306 61.913 62.300 -0.134 0.000 0.954 189 V CB 2.154 33.866 31.823 -0.184 0.000 1.055 189 V HN 0.758 nan 8.190 nan 0.000 0.429 190 I N 5.868 126.396 120.570 -0.071 0.000 2.382 190 I HA 0.754 4.925 4.170 0.002 0.000 0.286 190 I C 0.181 176.286 176.117 -0.020 0.000 1.002 190 I CA -0.553 60.730 61.300 -0.028 0.000 1.135 190 I CB 1.831 39.807 38.000 -0.040 0.000 1.288 190 I HN 0.797 nan 8.210 nan 0.000 0.448 191 A N 6.942 129.771 122.820 0.016 0.000 2.291 191 A HA 0.674 4.995 4.320 0.002 0.000 0.311 191 A C -0.569 177.050 177.584 0.058 0.000 1.224 191 A CA -0.490 51.571 52.037 0.040 0.000 0.821 191 A CB 0.977 20.001 19.000 0.040 0.000 1.172 191 A HN 0.435 nan 8.150 nan 0.000 0.494 192 V N 2.450 122.414 119.914 0.084 0.000 2.461 192 V HA 0.454 4.576 4.120 0.002 0.000 0.275 192 V C 0.081 176.188 176.094 0.021 0.000 1.047 192 V CA -0.055 62.278 62.300 0.056 0.000 0.955 192 V CB 0.966 32.831 31.823 0.071 0.000 0.988 192 V HN 0.961 nan 8.190 nan 0.000 0.471 193 E N 3.630 123.834 120.200 0.007 0.000 2.260 193 E HA 0.331 4.682 4.350 0.002 0.000 0.266 193 E C -0.213 176.375 176.600 -0.020 0.000 0.887 193 E CA -0.541 55.856 56.400 -0.004 0.000 0.777 193 E CB 2.013 31.726 29.700 0.021 0.000 1.205 193 E HN 0.235 nan 8.360 nan 0.000 0.414 194 V N 3.241 123.126 119.914 -0.048 0.000 3.380 194 V HA 0.100 4.221 4.120 0.002 0.000 0.268 194 V C -0.275 175.808 176.094 -0.019 0.000 1.168 194 V CA 1.402 63.674 62.300 -0.047 0.000 1.156 194 V CB -0.086 31.685 31.823 -0.086 0.000 0.785 194 V HN 0.654 nan 8.190 nan 0.000 0.487 195 D N -0.156 120.240 120.400 -0.007 0.000 2.440 195 D HA 0.150 4.791 4.640 0.002 0.000 0.239 195 D C 0.962 177.272 176.300 0.018 0.000 1.084 195 D CA -0.295 53.710 54.000 0.008 0.000 0.843 195 D CB 1.730 42.537 40.800 0.011 0.000 1.097 195 D HN 0.341 nan 8.370 nan 0.000 0.531 196 E N 2.788 122.999 120.200 0.020 0.000 2.209 196 E HA -0.210 4.141 4.350 0.002 0.000 0.196 196 E C 1.034 177.653 176.600 0.031 0.000 0.993 196 E CA 1.134 57.550 56.400 0.026 0.000 0.819 196 E CB 0.380 30.095 29.700 0.025 0.000 0.745 196 E HN 0.392 nan 8.360 nan 0.000 0.477 197 K N -0.157 120.261 120.400 0.030 0.000 2.097 197 K HA -0.072 4.249 4.320 0.002 0.000 0.205 197 K C 2.221 178.845 176.600 0.040 0.000 1.050 197 K CA 0.825 57.133 56.287 0.034 0.000 0.938 197 K CB 0.060 32.580 32.500 0.032 0.000 0.718 197 K HN 0.002 nan 8.250 nan 0.000 0.442 198 R N 0.826 121.349 120.500 0.039 0.000 2.075 198 R HA -0.047 4.295 4.340 0.002 0.000 0.232 198 R C 2.266 178.595 176.300 0.049 0.000 1.126 198 R CA 1.166 57.293 56.100 0.045 0.000 0.963 198 R CB -0.643 29.682 30.300 0.042 0.000 0.858 198 R HN 0.276 nan 8.270 nan 0.000 0.435 199 I N 1.303 121.900 120.570 0.045 0.000 2.163 199 I HA -0.278 3.893 4.170 0.002 0.000 0.243 199 I C 1.634 177.783 176.117 0.053 0.000 1.085 199 I CA 1.432 62.762 61.300 0.050 0.000 1.347 199 I CB -0.381 37.648 38.000 0.047 0.000 1.044 199 I HN 0.049 nan 8.210 nan 0.000 0.408 200 D N 0.829 121.258 120.400 0.048 0.000 2.178 200 D HA -0.166 4.476 4.640 0.002 0.000 0.201 200 D C 2.135 178.468 176.300 0.054 0.000 0.980 200 D CA 1.045 55.074 54.000 0.047 0.000 0.842 200 D CB -0.185 40.640 40.800 0.042 0.000 0.948 200 D HN 0.271 nan 8.370 nan 0.000 0.472 201 K N 0.286 120.721 120.400 0.058 0.000 2.097 201 K HA -0.065 4.256 4.320 0.002 0.000 0.205 201 K C 2.076 178.727 176.600 0.086 0.000 1.050 201 K CA 0.649 56.977 56.287 0.068 0.000 0.938 201 K CB 0.146 32.685 32.500 0.065 0.000 0.718 201 K HN -0.084 nan 8.250 nan 0.000 0.442 202 R N 0.649 121.201 120.500 0.087 0.000 2.115 202 R HA 0.027 4.369 4.340 0.002 0.000 0.226 202 R C 2.094 178.470 176.300 0.127 0.000 1.100 202 R CA 0.704 56.880 56.100 0.125 0.000 0.980 202 R CB -0.241 30.125 30.300 0.109 0.000 0.875 202 R HN 0.144 nan 8.270 nan 0.000 0.445 203 I N 0.635 121.253 120.570 0.080 0.000 2.193 203 I HA -0.170 4.001 4.170 0.002 0.000 0.240 203 I C 1.719 177.864 176.117 0.047 0.000 1.084 203 I CA 1.386 62.716 61.300 0.050 0.000 1.365 203 I CB -0.971 37.049 38.000 0.035 0.000 1.064 203 I HN 0.223 nan 8.210 nan 0.000 0.410 204 E N 0.589 120.823 120.200 0.056 0.000 2.085 204 E HA -0.213 4.138 4.350 0.002 0.000 0.194 204 E C 1.707 178.345 176.600 0.064 0.000 0.994 204 E CA 2.090 58.520 56.400 0.052 0.000 0.801 204 E CB -0.115 29.619 29.700 0.056 0.000 0.743 204 E HN 0.565 nan 8.360 nan 0.000 0.453 205 T N -1.496 113.124 114.554 0.110 0.000 3.169 205 T HA 0.101 4.452 4.350 0.002 0.000 0.250 205 T C 0.338 175.103 174.700 0.109 0.000 1.111 205 T CA -0.234 61.962 62.100 0.159 0.000 1.010 205 T CB 0.181 69.214 68.868 0.275 0.000 0.984 205 T HN -0.086 nan 8.240 nan 0.000 0.537 206 K N -0.011 120.407 120.400 0.029 0.000 3.117 206 K HA -0.203 4.119 4.320 0.002 0.000 0.269 206 K C -0.424 176.049 176.600 -0.212 0.000 1.098 206 K CA 0.594 56.824 56.287 -0.096 0.000 0.785 206 K CB -2.619 29.781 32.500 -0.167 0.000 1.242 206 K HN 0.629 nan 8.250 nan 0.000 0.491 207 Y N -1.592 118.695 120.300 -0.021 0.000 2.458 207 Y HA 0.193 4.744 4.550 0.002 0.000 0.256 207 Y C 1.032 176.920 175.900 -0.019 0.000 1.159 207 Y CA -0.059 58.032 58.100 -0.015 0.000 1.261 207 Y CB 1.026 39.491 38.460 0.008 0.000 1.119 207 Y HN 0.295 nan 8.280 nan 0.000 0.524 208 C N -0.157 119.187 119.300 0.074 0.000 2.985 208 C HA 0.270 4.731 4.460 0.002 0.000 0.332 208 C C 0.639 175.618 174.990 -0.018 0.000 1.164 208 C CA -0.763 58.274 59.018 0.031 0.000 1.347 208 C CB 0.691 28.466 27.740 0.058 0.000 1.764 208 C HN 0.367 nan 8.230 nan 0.000 0.489 209 D N 1.650 122.019 120.400 -0.051 0.000 2.107 209 D HA 0.075 4.717 4.640 0.002 0.000 0.204 209 D C 0.717 176.956 176.300 -0.102 0.000 0.978 209 D CA 1.211 55.156 54.000 -0.092 0.000 0.852 209 D CB 0.185 40.906 40.800 -0.131 0.000 1.008 209 D HN 0.615 nan 8.370 nan 0.000 0.458 210 R N -0.193 120.247 120.500 -0.101 0.000 2.930 210 R HA 0.605 4.946 4.340 0.002 0.000 0.257 210 R C -0.198 176.138 176.300 0.060 0.000 1.107 210 R CA -0.828 55.214 56.100 -0.096 0.000 0.999 210 R CB 2.210 32.293 30.300 -0.361 0.000 1.209 210 R HN -0.022 nan 8.270 nan 0.000 0.486 211 K N -0.619 119.871 120.400 0.149 0.000 2.509 211 K HA 0.701 5.022 4.320 0.002 0.000 0.266 211 K C -1.274 175.498 176.600 0.287 0.000 0.987 211 K CA -0.705 55.695 56.287 0.188 0.000 0.868 211 K CB 2.665 35.229 32.500 0.107 0.000 1.421 211 K HN 0.540 nan 8.250 nan 0.000 0.444 212 T N -1.180 113.478 114.554 0.173 0.000 2.843 212 T HA 0.497 4.848 4.350 0.002 0.000 0.337 212 T C -1.361 173.349 174.700 0.017 0.000 1.754 212 T CA -0.030 62.120 62.100 0.084 0.000 1.052 212 T CB 1.360 70.203 68.868 -0.041 0.000 1.588 212 T HN 0.798 nan 8.240 nan 0.000 0.493 213 A N 1.683 124.493 122.820 -0.016 0.000 2.470 213 A HA 0.611 4.933 4.320 0.002 0.000 0.251 213 A C 0.754 178.308 177.584 -0.049 0.000 1.245 213 A CA 0.403 52.427 52.037 -0.021 0.000 0.932 213 A CB 0.023 19.017 19.000 -0.011 0.000 1.037 213 A HN 0.872 nan 8.150 nan 0.000 0.522 214 S N -0.015 115.630 115.700 -0.092 0.000 2.474 214 S HA 0.499 4.971 4.470 0.002 0.000 0.321 214 S C 0.998 175.517 174.600 -0.135 0.000 1.080 214 S CA -0.625 57.505 58.200 -0.116 0.000 1.106 214 S CB 0.168 63.276 63.200 -0.155 0.000 0.984 214 S HN 0.296 nan 8.310 nan 0.000 0.464 215 I N 3.470 123.986 120.570 -0.090 0.000 2.286 215 I HA -0.106 4.066 4.170 0.002 0.000 0.248 215 I C 2.208 178.259 176.117 -0.110 0.000 1.115 215 I CA 0.934 62.188 61.300 -0.077 0.000 1.392 215 I CB -0.139 37.838 38.000 -0.039 0.000 1.065 215 I HN 0.628 nan 8.210 nan 0.000 0.418 216 E N 0.614 120.741 120.200 -0.122 0.000 2.106 216 E HA -0.249 4.102 4.350 0.002 0.000 0.192 216 E C 1.949 178.412 176.600 -0.229 0.000 0.984 216 E CA 1.093 57.411 56.400 -0.137 0.000 0.806 216 E CB -0.169 29.463 29.700 -0.114 0.000 0.750 216 E HN 0.547 nan 8.360 nan 0.000 0.458 217 E N 0.514 120.514 120.200 -0.333 0.000 2.047 217 E HA -0.124 4.227 4.350 0.002 0.000 0.191 217 E C 2.001 178.152 176.600 -0.748 0.000 0.987 217 E CA 0.972 56.989 56.400 -0.639 0.000 0.799 217 E CB -0.007 29.242 29.700 -0.750 0.000 0.752 217 E HN 0.164 nan 8.360 nan 0.000 0.449 218 A N 1.080 123.642 122.820 -0.430 0.000 1.883 218 A HA -0.182 4.140 4.320 0.002 0.000 0.217 218 A C 2.211 179.750 177.584 -0.075 0.000 1.186 218 A CA 1.346 53.279 52.037 -0.172 0.000 0.624 218 A CB -0.776 18.186 19.000 -0.063 0.000 0.822 218 A HN 0.316 nan 8.150 nan 0.000 0.444 219 L N -0.864 120.299 121.223 -0.101 0.000 2.017 219 L HA -0.210 4.132 4.340 0.002 0.000 0.208 219 L C 3.130 179.978 176.870 -0.036 0.000 1.073 219 L CA 1.136 55.944 54.840 -0.052 0.000 0.745 219 L CB -0.618 41.408 42.059 -0.054 0.000 0.894 219 L HN 0.450 nan 8.230 nan 0.000 0.432 220 A N -0.557 122.207 122.820 -0.094 0.000 1.902 220 A HA -0.222 4.099 4.320 0.002 0.000 0.217 220 A C 1.976 179.612 177.584 0.085 0.000 1.181 220 A CA 1.446 53.455 52.037 -0.047 0.000 0.623 220 A CB -0.783 18.147 19.000 -0.118 0.000 0.818 220 A HN 0.492 nan 8.150 nan 0.000 0.443 221 W N -0.420 120.864 121.300 -0.026 0.000 2.381 221 W HA -0.009 4.652 4.660 0.002 0.000 0.301 221 W C 2.857 179.352 176.519 -0.040 0.000 1.205 221 W CA 0.725 58.052 57.345 -0.031 0.000 1.285 221 W CB -1.276 28.165 29.460 -0.031 0.000 1.133 221 W HN 0.441 nan 8.180 nan 0.000 0.521 222 A N 0.140 123.077 122.820 0.196 0.000 1.877 222 A HA -0.238 4.083 4.320 0.002 0.000 0.216 222 A C 1.949 179.555 177.584 0.037 0.000 1.186 222 A CA 2.244 54.328 52.037 0.078 0.000 0.620 222 A CB -0.794 18.226 19.000 0.033 0.000 0.822 222 A HN 0.213 nan 8.150 nan 0.000 0.443 223 E N -0.017 120.204 120.200 0.036 0.000 2.072 223 E HA -0.191 4.160 4.350 0.002 0.000 0.191 223 E C 1.978 178.593 176.600 0.024 0.000 0.985 223 E CA 1.588 57.998 56.400 0.017 0.000 0.801 223 E CB -0.295 29.412 29.700 0.013 0.000 0.750 223 E HN 0.718 nan 8.360 nan 0.000 0.452 224 E N -0.441 119.790 120.200 0.051 0.000 2.058 224 E HA -0.245 4.107 4.350 0.002 0.000 0.194 224 E C 1.895 178.507 176.600 0.021 0.000 0.997 224 E CA 1.343 57.771 56.400 0.047 0.000 0.801 224 E CB -0.250 29.505 29.700 0.091 0.000 0.746 224 E HN 0.294 nan 8.360 nan 0.000 0.450 225 A N 1.206 124.037 122.820 0.018 0.000 1.930 225 A HA -0.163 4.158 4.320 0.002 0.000 0.217 225 A C 2.123 179.692 177.584 -0.026 0.000 1.175 225 A CA 1.559 53.587 52.037 -0.016 0.000 0.627 225 A CB -0.443 18.540 19.000 -0.028 0.000 0.815 225 A HN 0.226 nan 8.150 nan 0.000 0.443 226 K N -0.463 119.923 120.400 -0.023 0.000 2.097 226 K HA -0.028 4.293 4.320 0.002 0.000 0.206 226 K C 1.864 178.447 176.600 -0.027 0.000 1.049 226 K CA 1.168 57.433 56.287 -0.037 0.000 0.933 226 K CB -0.245 32.231 32.500 -0.039 0.000 0.717 226 K HN 0.463 nan 8.250 nan 0.000 0.442 227 L N 0.174 121.388 121.223 -0.014 0.000 2.093 227 L HA -0.088 4.254 4.340 0.002 0.000 0.208 227 L C 2.146 179.008 176.870 -0.012 0.000 1.085 227 L CA 1.135 55.970 54.840 -0.009 0.000 0.755 227 L CB -0.208 41.850 42.059 -0.001 0.000 0.904 227 L HN 0.248 nan 8.230 nan 0.000 0.435 228 A N -0.760 122.051 122.820 -0.015 0.000 2.238 228 A HA 0.195 4.516 4.320 0.002 0.000 0.208 228 A C 1.539 179.108 177.584 -0.025 0.000 1.177 228 A CA 0.640 52.666 52.037 -0.018 0.000 0.804 228 A CB -0.599 18.388 19.000 -0.021 0.000 0.823 228 A HN 0.519 nan 8.150 nan 0.000 0.482 229 G N -0.265 108.517 108.800 -0.029 0.000 2.273 229 G HA2 -0.271 3.690 3.960 0.002 0.000 0.280 229 G HA3 -0.271 3.690 3.960 0.002 0.000 0.280 229 G C 0.008 174.883 174.900 -0.042 0.000 1.047 229 G CA 0.797 45.876 45.100 -0.035 0.000 0.869 229 G HN 0.598 nan 8.290 nan 0.000 0.502 230 K N 0.659 121.031 120.400 -0.048 0.000 2.207 230 K HA 0.528 4.849 4.320 0.002 0.000 0.255 230 K C -2.246 174.313 176.600 -0.068 0.000 0.941 230 K CA -2.074 54.179 56.287 -0.056 0.000 0.825 230 K CB 2.524 34.990 32.500 -0.056 0.000 1.119 230 K HN 0.056 nan 8.250 nan 0.000 0.430 231 P HA 0.198 nan 4.420 nan 0.000 0.275 231 P C -1.013 176.230 177.300 -0.094 0.000 1.228 231 P CA -0.354 62.693 63.100 -0.088 0.000 0.786 231 P CB 1.008 32.656 31.700 -0.086 0.000 0.927 232 L N 1.604 122.768 121.223 -0.099 0.000 2.666 232 L HA 0.243 4.584 4.340 0.002 0.000 0.259 232 L C -1.167 175.650 176.870 -0.088 0.000 0.919 232 L CA -0.341 54.439 54.840 -0.100 0.000 0.927 232 L CB 2.223 44.226 42.059 -0.094 0.000 1.423 232 L HN 0.559 nan 8.230 nan 0.000 0.426 233 S N 4.710 120.360 115.700 -0.083 0.000 2.454 233 S HA 0.816 5.287 4.470 0.002 0.000 0.306 233 S C -0.641 173.946 174.600 -0.022 0.000 1.100 233 S CA -0.693 57.472 58.200 -0.058 0.000 1.087 233 S CB 2.002 65.169 63.200 -0.055 0.000 1.019 233 S HN 0.476 nan 8.310 nan 0.000 0.480 234 I N 2.118 122.701 120.570 0.021 0.000 2.447 234 I HA 0.517 4.688 4.170 0.002 0.000 0.287 234 I C -0.110 176.056 176.117 0.083 0.000 1.023 234 I CA -0.967 60.390 61.300 0.094 0.000 1.083 234 I CB 1.889 39.999 38.000 0.182 0.000 1.245 234 I HN 0.861 nan 8.210 nan 0.000 0.434 235 A N 7.007 129.883 122.820 0.093 0.000 2.279 235 A HA 0.585 4.906 4.320 0.002 0.000 0.306 235 A C -0.770 176.864 177.584 0.084 0.000 1.300 235 A CA -0.340 51.742 52.037 0.076 0.000 0.925 235 A CB 0.415 19.456 19.000 0.068 0.000 1.152 235 A HN 0.597 nan 8.150 nan 0.000 0.544 236 L N 4.122 125.381 121.223 0.061 0.000 2.257 236 L HA 0.403 4.744 4.340 0.002 0.000 0.290 236 L C -0.240 176.646 176.870 0.028 0.000 1.044 236 L CA -0.444 54.422 54.840 0.043 0.000 0.810 236 L CB 0.937 43.015 42.059 0.031 0.000 1.193 236 L HN 0.680 nan 8.230 nan 0.000 0.425 237 L N 6.351 127.588 121.223 0.022 0.000 2.477 237 L HA 0.585 4.927 4.340 0.002 0.000 0.272 237 L C 0.404 177.273 176.870 -0.002 0.000 1.157 237 L CA 0.799 55.646 54.840 0.011 0.000 0.889 237 L CB -0.157 41.910 42.059 0.013 0.000 1.158 237 L HN 0.917 nan 8.230 nan 0.000 0.473 238 G N 4.030 112.822 108.800 -0.013 0.000 2.341 238 G HA2 -0.068 3.893 3.960 0.002 0.000 0.293 238 G HA3 -0.068 3.893 3.960 0.002 0.000 0.293 238 G C -1.899 172.968 174.900 -0.055 0.000 1.298 238 G CA -0.789 44.296 45.100 -0.025 0.000 0.868 238 G HN 0.551 nan 8.290 nan 0.000 0.540 239 N N 0.512 119.173 118.700 -0.066 0.000 2.425 239 N HA 0.495 5.236 4.740 0.002 0.000 0.268 239 N C 1.358 176.769 175.510 -0.165 0.000 0.991 239 N CA 0.361 53.341 53.050 -0.117 0.000 0.931 239 N CB 1.749 40.191 38.487 -0.075 0.000 1.130 239 N HN 0.870 nan 8.380 nan 0.000 0.493 240 A N 4.010 126.648 122.820 -0.303 0.000 1.948 240 A HA -0.157 4.164 4.320 0.002 0.000 0.220 240 A C 2.031 179.260 177.584 -0.593 0.000 1.177 240 A CA 2.063 53.721 52.037 -0.631 0.000 0.636 240 A CB -0.706 17.740 19.000 -0.924 0.000 0.815 240 A HN 0.769 nan 8.150 nan 0.000 0.449 241 A N -0.793 121.869 122.820 -0.265 0.000 2.024 241 A HA -0.176 4.146 4.320 0.002 0.000 0.220 241 A C 2.021 179.649 177.584 0.073 0.000 1.164 241 A CA 1.862 53.889 52.037 -0.016 0.000 0.643 241 A CB -0.330 18.763 19.000 0.155 0.000 0.806 241 A HN 0.734 nan 8.150 nan 0.000 0.451 242 E N -0.661 119.549 120.200 0.016 0.000 2.094 242 E HA -0.024 4.327 4.350 0.002 0.000 0.193 242 E C 1.871 178.528 176.600 0.093 0.000 0.950 242 E CA 0.827 57.265 56.400 0.063 0.000 0.842 242 E CB 0.058 29.772 29.700 0.024 0.000 0.816 242 E HN 0.222 nan 8.360 nan 0.000 0.465 243 V N 1.692 121.639 119.914 0.055 0.000 2.282 243 V HA -0.279 3.842 4.120 0.002 0.000 0.249 243 V C 2.276 178.505 176.094 0.225 0.000 1.057 243 V CA 2.282 64.650 62.300 0.114 0.000 1.032 243 V CB -0.870 31.017 31.823 0.106 0.000 0.645 243 V HN 0.369 nan 8.190 nan 0.000 0.447 244 H N -1.003 118.071 119.070 0.006 0.000 2.387 244 H HA -0.105 4.452 4.556 0.002 0.000 0.299 244 H C 2.364 177.711 175.328 0.031 0.000 1.090 244 H CA 1.658 57.733 56.048 0.044 0.000 1.332 244 H CB -0.463 29.288 29.762 -0.019 0.000 1.386 244 H HN 0.512 nan 8.280 nan 0.000 0.516 245 H N -0.635 118.546 119.070 0.186 0.000 2.428 245 H HA -0.022 4.535 4.556 0.002 0.000 0.296 245 H C 1.851 177.208 175.328 0.047 0.000 1.062 245 H CA 1.500 57.595 56.048 0.079 0.000 1.350 245 H CB 0.089 29.880 29.762 0.047 0.000 1.403 245 H HN 0.324 nan 8.280 nan 0.000 0.533 246 T N 1.413 116.063 114.554 0.160 0.000 2.708 246 T HA -0.079 4.272 4.350 0.002 0.000 0.266 246 T C 2.410 177.157 174.700 0.078 0.000 1.037 246 T CA 0.748 62.905 62.100 0.095 0.000 1.146 246 T CB -0.261 68.651 68.868 0.074 0.000 0.865 246 T HN 0.200 nan 8.240 nan 0.000 0.435 247 L N 0.544 121.832 121.223 0.110 0.000 2.083 247 L HA -0.013 4.329 4.340 0.002 0.000 0.209 247 L C 2.548 179.502 176.870 0.140 0.000 1.083 247 L CA 0.883 55.802 54.840 0.131 0.000 0.752 247 L CB -0.645 41.512 42.059 0.164 0.000 0.899 247 L HN 0.247 nan 8.230 nan 0.000 0.433 248 L N 0.302 121.557 121.223 0.053 0.000 1.994 248 L HA -0.214 4.127 4.340 0.002 0.000 0.208 248 L C 1.992 178.779 176.870 -0.139 0.000 1.071 248 L CA 1.665 56.329 54.840 -0.293 0.000 0.745 248 L CB -0.348 41.399 42.059 -0.521 0.000 0.892 248 L HN 0.448 nan 8.230 nan 0.000 0.431 249 N N -0.081 118.591 118.700 -0.047 0.000 2.521 249 N HA -0.134 4.607 4.740 0.002 0.000 0.188 249 N C 1.442 176.949 175.510 -0.004 0.000 1.146 249 N CA 0.476 53.514 53.050 -0.019 0.000 0.893 249 N CB -0.089 38.406 38.487 0.013 0.000 0.975 249 N HN 0.392 nan 8.380 nan 0.000 0.451 250 R N 0.059 120.563 120.500 0.007 0.000 2.362 250 R HA 0.098 4.439 4.340 0.002 0.000 0.227 250 R C 0.765 177.074 176.300 0.015 0.000 0.905 250 R CA 0.483 56.591 56.100 0.014 0.000 1.067 250 R CB 0.248 30.561 30.300 0.022 0.000 1.078 250 R HN 0.103 nan 8.270 nan 0.000 0.516 251 G N 1.028 109.836 108.800 0.013 0.000 2.155 251 G HA2 -0.248 3.713 3.960 0.002 0.000 0.257 251 G HA3 -0.248 3.713 3.960 0.002 0.000 0.257 251 G C 0.051 174.980 174.900 0.050 0.000 0.983 251 G CA 0.332 45.444 45.100 0.021 0.000 0.676 251 G HN 0.188 nan 8.290 nan 0.000 0.528 252 V N 0.969 120.927 119.914 0.073 0.000 2.617 252 V HA 0.129 4.250 4.120 0.002 0.000 0.304 252 V C 1.242 177.398 176.094 0.103 0.000 1.040 252 V CA 0.658 63.002 62.300 0.073 0.000 1.149 252 V CB 1.376 33.240 31.823 0.068 0.000 0.914 252 V HN 0.414 nan 8.190 nan 0.000 0.487 253 K N 6.096 126.531 120.400 0.058 0.000 2.292 253 K HA 0.372 4.693 4.320 0.002 0.000 0.290 253 K C -0.769 175.841 176.600 0.016 0.000 1.083 253 K CA -0.231 56.091 56.287 0.058 0.000 0.918 253 K CB 0.135 32.658 32.500 0.038 0.000 1.089 253 K HN 0.606 nan 8.250 nan 0.000 0.473 254 I N 4.638 125.216 120.570 0.014 0.000 2.362 254 I HA 0.064 4.235 4.170 0.002 0.000 0.289 254 I C 0.701 176.775 176.117 -0.072 0.000 0.994 254 I CA -0.667 60.560 61.300 -0.122 0.000 1.158 254 I CB 1.736 39.497 38.000 -0.399 0.000 1.315 254 I HN 0.677 nan 8.210 nan 0.000 0.451 255 D N 5.954 126.306 120.400 -0.080 0.000 2.137 255 D HA 0.128 4.770 4.640 0.002 0.000 0.202 255 D C 0.487 176.820 176.300 0.056 0.000 0.970 255 D CA 1.591 55.595 54.000 0.006 0.000 0.837 255 D CB 0.665 41.359 40.800 -0.176 0.000 0.981 255 D HN 0.324 nan 8.370 nan 0.000 0.475 256 I N 0.640 121.183 120.570 -0.045 0.000 2.582 256 I HA 0.260 4.431 4.170 0.002 0.000 0.292 256 I C -0.900 175.144 176.117 -0.121 0.000 1.066 256 I CA -0.770 60.541 61.300 0.019 0.000 1.053 256 I CB 3.135 41.230 38.000 0.159 0.000 1.241 256 I HN -0.365 nan 8.210 nan 0.000 0.421 257 V N 3.979 123.785 119.914 -0.180 0.000 2.760 257 V HA 0.740 4.861 4.120 0.002 0.000 0.309 257 V C -0.265 175.555 176.094 -0.458 0.000 1.077 257 V CA -0.294 61.806 62.300 -0.333 0.000 0.910 257 V CB 2.163 33.734 31.823 -0.419 0.000 1.008 257 V HN 0.900 nan 8.190 nan 0.000 0.424 258 T N 2.119 116.413 114.554 -0.433 0.000 2.630 258 T HA 0.598 4.949 4.350 0.002 0.000 0.300 258 T C -2.307 172.280 174.700 -0.187 0.000 1.261 258 T CA -0.079 61.674 62.100 -0.579 0.000 1.060 258 T CB 1.912 70.109 68.868 -1.119 0.000 1.670 258 T HN 0.960 nan 8.240 nan 0.000 0.473 259 D N -0.417 119.932 120.400 -0.085 0.000 2.722 259 D HA 0.356 4.997 4.640 0.002 0.000 0.231 259 D C -1.375 175.020 176.300 0.158 0.000 1.218 259 D CA -0.221 53.840 54.000 0.101 0.000 0.753 259 D CB 1.503 42.375 40.800 0.120 0.000 1.471 259 D HN 0.386 nan 8.370 nan 0.000 0.455 260 Q N 1.940 121.858 119.800 0.196 0.000 2.141 260 Q HA 0.221 4.562 4.340 0.002 0.000 0.295 260 Q C -0.594 175.528 176.000 0.203 0.000 0.870 260 Q CA -0.362 55.571 55.803 0.216 0.000 1.096 260 Q CB 0.835 29.729 28.738 0.260 0.000 1.288 260 Q HN 0.687 nan 8.270 nan 0.000 0.418 261 T N -2.821 111.866 114.554 0.220 0.000 2.788 261 T HA 0.239 4.590 4.350 0.002 0.000 0.287 261 T C 0.745 175.597 174.700 0.252 0.000 1.007 261 T CA -0.444 61.788 62.100 0.220 0.000 1.005 261 T CB 1.474 70.518 68.868 0.293 0.000 1.012 261 T HN -0.032 nan 8.240 nan 0.000 0.530 262 S N 1.044 116.888 115.700 0.240 0.000 3.811 262 S HA 0.356 4.827 4.470 0.002 0.000 0.205 262 S C 1.711 176.393 174.600 0.135 0.000 1.445 262 S CA -0.266 58.111 58.200 0.295 0.000 1.097 262 S CB -1.123 62.231 63.200 0.257 0.000 1.350 262 S HN 0.827 nan 8.310 nan 0.000 0.471 263 A N 1.903 124.844 122.820 0.201 0.000 2.125 263 A HA -0.156 4.165 4.320 0.002 0.000 0.219 263 A C 1.896 179.474 177.584 -0.009 0.000 1.156 263 A CA 1.244 53.323 52.037 0.070 0.000 0.671 263 A CB -0.646 18.374 19.000 0.033 0.000 0.794 263 A HN 0.886 nan 8.150 nan 0.000 0.459 264 H N -1.388 117.722 119.070 0.067 0.000 2.491 264 H HA -0.032 4.525 4.556 0.002 0.000 0.290 264 H C -0.487 174.910 175.328 0.115 0.000 1.050 264 H CA 1.261 57.383 56.048 0.123 0.000 1.309 264 H CB -0.082 29.792 29.762 0.188 0.000 1.392 264 H HN 0.402 nan 8.280 nan 0.000 0.554 265 D N 1.013 120.888 120.400 -0.874 0.000 2.408 265 D HA 0.214 4.855 4.640 0.002 0.000 0.261 265 D C -2.131 173.795 176.300 -0.623 0.000 1.190 265 D CA -2.412 50.948 54.000 -1.066 0.000 0.910 265 D CB 1.534 41.551 40.800 -1.306 0.000 1.097 265 D HN -0.036 nan 8.370 nan 0.000 0.522 266 P HA -0.110 nan 4.420 nan 0.000 0.222 266 P C 1.280 178.545 177.300 -0.057 0.000 1.142 266 P CA 0.411 63.417 63.100 -0.157 0.000 0.788 266 P CB 0.418 32.066 31.700 -0.087 0.000 0.767 267 L N -1.843 119.231 121.223 -0.249 0.000 2.202 267 L HA 0.065 4.406 4.340 0.002 0.000 0.205 267 L C 1.808 178.424 176.870 -0.424 0.000 1.083 267 L CA 1.741 56.398 54.840 -0.304 0.000 0.790 267 L CB -0.425 41.408 42.059 -0.377 0.000 0.942 267 L HN -0.140 nan 8.230 nan 0.000 0.452 268 I N -1.263 119.103 120.570 -0.341 0.000 3.445 268 I HA 0.180 4.351 4.170 0.002 0.000 0.288 268 I C 2.137 178.172 176.117 -0.135 0.000 1.198 268 I CA 1.061 62.208 61.300 -0.255 0.000 1.417 268 I CB -1.340 36.523 38.000 -0.227 0.000 1.205 268 I HN 0.301 nan 8.210 nan 0.000 0.448 269 G N -0.575 108.126 108.800 -0.166 0.000 2.744 269 G HA2 -0.157 3.805 3.960 0.002 0.000 0.211 269 G HA3 -0.157 3.805 3.960 0.002 0.000 0.211 269 G C 0.144 175.092 174.900 0.079 0.000 1.143 269 G CA 0.362 45.423 45.100 -0.065 0.000 0.788 269 G HN 0.281 nan 8.290 nan 0.000 0.534 270 Y N -0.059 120.237 120.300 -0.007 0.000 2.386 270 Y HA 0.496 5.047 4.550 0.002 0.000 0.334 270 Y C -0.813 175.127 175.900 0.067 0.000 1.002 270 Y CA -0.976 57.143 58.100 0.031 0.000 1.068 270 Y CB 2.157 40.623 38.460 0.010 0.000 1.203 270 Y HN -0.137 nan 8.280 nan 0.000 0.443 271 V N 8.275 128.084 119.914 -0.174 0.000 2.432 271 V HA 0.324 4.445 4.120 0.002 0.000 0.275 271 V C -2.171 173.890 176.094 -0.055 0.000 1.043 271 V CA -1.939 60.322 62.300 -0.066 0.000 0.925 271 V CB 0.957 32.730 31.823 -0.085 0.000 0.985 271 V HN 0.657 nan 8.190 nan 0.000 0.466 272 P HA 0.095 nan 4.420 nan 0.000 0.269 272 P C -0.178 177.190 177.300 0.114 0.000 1.209 272 P CA -0.293 62.794 63.100 -0.021 0.000 0.776 272 P CB 0.495 32.016 31.700 -0.298 0.000 0.876 273 E N 1.810 122.091 120.200 0.136 0.000 2.415 273 E HA 0.214 4.565 4.350 0.002 0.000 0.263 273 E C 0.887 177.558 176.600 0.119 0.000 0.995 273 E CA 0.606 57.069 56.400 0.104 0.000 0.915 273 E CB -0.624 29.122 29.700 0.077 0.000 0.951 273 E HN 0.752 nan 8.360 nan 0.000 0.449 274 G N 3.316 112.147 108.800 0.052 0.000 2.176 274 G HA2 -0.272 3.689 3.960 0.002 0.000 0.232 274 G HA3 -0.272 3.689 3.960 0.002 0.000 0.232 274 G C -0.642 174.159 174.900 -0.165 0.000 0.986 274 G CA 0.129 45.193 45.100 -0.059 0.000 0.643 274 G HN 0.517 nan 8.290 nan 0.000 0.522 275 Y N 1.889 122.167 120.300 -0.036 0.000 2.377 275 Y HA 0.610 5.161 4.550 0.002 0.000 0.339 275 Y C 1.025 176.914 175.900 -0.018 0.000 1.011 275 Y CA -0.224 57.860 58.100 -0.026 0.000 1.093 275 Y CB 1.806 40.245 38.460 -0.034 0.000 1.201 275 Y HN 0.366 nan 8.280 nan 0.000 0.455 276 S N 2.255 118.024 115.700 0.116 0.000 2.634 276 S HA 0.240 4.711 4.470 0.002 0.000 0.261 276 S C 1.035 175.697 174.600 0.104 0.000 1.271 276 S CA -0.614 57.631 58.200 0.074 0.000 0.985 276 S CB 0.526 63.751 63.200 0.041 0.000 0.968 276 S HN 0.764 nan 8.310 nan 0.000 0.568 277 L N 0.251 121.514 121.223 0.066 0.000 2.046 277 L HA -0.112 4.229 4.340 0.002 0.000 0.208 277 L C 2.232 179.145 176.870 0.071 0.000 1.077 277 L CA 1.521 56.398 54.840 0.062 0.000 0.747 277 L CB -0.734 41.348 42.059 0.038 0.000 0.896 277 L HN 0.676 nan 8.230 nan 0.000 0.432 278 D N 0.052 120.491 120.400 0.064 0.000 2.117 278 D HA -0.164 4.477 4.640 0.002 0.000 0.198 278 D C 2.105 178.460 176.300 0.092 0.000 0.982 278 D CA 1.146 55.183 54.000 0.062 0.000 0.828 278 D CB -0.009 40.819 40.800 0.046 0.000 0.967 278 D HN 0.410 nan 8.370 nan 0.000 0.464 279 E N 0.736 121.015 120.200 0.131 0.000 2.106 279 E HA -0.096 4.256 4.350 0.002 0.000 0.192 279 E C 2.108 178.863 176.600 0.258 0.000 0.984 279 E CA 0.914 57.442 56.400 0.213 0.000 0.806 279 E CB -0.012 29.841 29.700 0.255 0.000 0.750 279 E HN 0.168 nan 8.360 nan 0.000 0.458 280 A N 1.610 124.562 122.820 0.221 0.000 1.933 280 A HA -0.222 4.099 4.320 0.002 0.000 0.218 280 A C 1.655 179.327 177.584 0.147 0.000 1.175 280 A CA 1.685 53.812 52.037 0.151 0.000 0.628 280 A CB -0.334 18.762 19.000 0.160 0.000 0.814 280 A HN 0.095 nan 8.150 nan 0.000 0.444 281 D N -0.365 120.086 120.400 0.085 0.000 2.117 281 D HA -0.125 4.516 4.640 0.002 0.000 0.197 281 D C 2.226 178.536 176.300 0.018 0.000 0.987 281 D CA 1.216 55.230 54.000 0.022 0.000 0.829 281 D CB -0.301 40.510 40.800 0.018 0.000 0.961 281 D HN 0.491 nan 8.370 nan 0.000 0.460 282 R N 0.201 120.733 120.500 0.054 0.000 2.073 282 R HA 0.054 4.395 4.340 0.002 0.000 0.229 282 R C 2.485 178.819 176.300 0.057 0.000 1.120 282 R CA 0.207 56.337 56.100 0.049 0.000 0.967 282 R CB -0.397 29.942 30.300 0.065 0.000 0.862 282 R HN 0.171 nan 8.270 nan 0.000 0.436 283 L N 1.142 122.421 121.223 0.093 0.000 2.012 283 L HA -0.233 4.108 4.340 0.002 0.000 0.210 283 L C 2.680 179.621 176.870 0.117 0.000 1.073 283 L CA 1.675 56.572 54.840 0.095 0.000 0.748 283 L CB -0.291 41.756 42.059 -0.020 0.000 0.891 283 L HN 0.208 nan 8.230 nan 0.000 0.431 284 R N -0.617 119.936 120.500 0.088 0.000 2.081 284 R HA -0.227 4.114 4.340 0.002 0.000 0.235 284 R C 2.310 178.512 176.300 -0.165 0.000 1.131 284 R CA 1.802 57.769 56.100 -0.222 0.000 0.960 284 R CB -0.150 29.830 30.300 -0.535 0.000 0.856 284 R HN 0.490 nan 8.270 nan 0.000 0.436 285 Q N -0.416 119.329 119.800 -0.091 0.000 2.083 285 Q HA -0.120 4.221 4.340 0.002 0.000 0.198 285 Q C 0.967 176.942 176.000 -0.041 0.000 0.969 285 Q CA 1.557 57.318 55.803 -0.071 0.000 0.838 285 Q CB 0.312 29.024 28.738 -0.043 0.000 0.900 285 Q HN 0.380 nan 8.270 nan 0.000 0.436 286 D N -0.647 119.745 120.400 -0.013 0.000 2.216 286 D HA -0.037 4.604 4.640 0.002 0.000 0.208 286 D C 0.623 176.926 176.300 0.005 0.000 0.960 286 D CA 1.142 55.143 54.000 0.001 0.000 0.861 286 D CB 0.449 41.259 40.800 0.017 0.000 0.985 286 D HN 0.236 nan 8.370 nan 0.000 0.493 287 T N -1.127 113.436 114.554 0.015 0.000 3.585 287 T HA 0.236 4.587 4.350 0.002 0.000 0.252 287 T C -2.046 172.674 174.700 0.033 0.000 1.382 287 T CA -1.394 60.721 62.100 0.025 0.000 1.584 287 T CB 1.792 70.683 68.868 0.039 0.000 0.892 287 T HN -0.167 nan 8.240 nan 0.000 0.671 288 P HA -0.191 nan 4.420 nan 0.000 0.216 288 P C 1.136 178.450 177.300 0.024 0.000 1.150 288 P CA 1.377 64.453 63.100 -0.041 0.000 0.843 288 P CB 0.390 32.020 31.700 -0.116 0.000 0.787 289 E N -0.245 119.973 120.200 0.029 0.000 2.107 289 E HA -0.074 4.278 4.350 0.002 0.000 0.191 289 E C 2.317 178.949 176.600 0.054 0.000 0.982 289 E CA 0.454 56.882 56.400 0.046 0.000 0.809 289 E CB -0.533 29.191 29.700 0.041 0.000 0.756 289 E HN 0.249 nan 8.360 nan 0.000 0.459 290 L N 0.373 121.626 121.223 0.050 0.000 2.072 290 L HA -0.175 4.166 4.340 0.002 0.000 0.205 290 L C 2.485 179.365 176.870 0.016 0.000 1.079 290 L CA 1.171 56.030 54.840 0.031 0.000 0.752 290 L CB -0.241 41.835 42.059 0.028 0.000 0.906 290 L HN 0.166 nan 8.230 nan 0.000 0.436 291 Y N 0.040 120.289 120.300 -0.086 0.000 2.081 291 Y HA -0.343 4.208 4.550 0.002 0.000 0.280 291 Y C 2.420 178.259 175.900 -0.102 0.000 1.163 291 Y CA 2.392 60.411 58.100 -0.134 0.000 1.135 291 Y CB -0.387 37.983 38.460 -0.149 0.000 0.970 291 Y HN -0.067 nan 8.280 nan 0.000 0.498 292 V N 0.812 120.869 119.914 0.238 0.000 2.324 292 V HA -0.367 3.754 4.120 0.002 0.000 0.250 292 V C 2.456 178.566 176.094 0.028 0.000 1.060 292 V CA 2.357 64.742 62.300 0.141 0.000 1.042 292 V CB -0.666 31.215 31.823 0.097 0.000 0.650 292 V HN 0.387 nan 8.190 nan 0.000 0.450 293 R N -0.619 119.888 120.500 0.012 0.000 2.083 293 R HA -0.129 4.212 4.340 0.002 0.000 0.237 293 R C 2.287 178.559 176.300 -0.046 0.000 1.137 293 R CA 1.587 57.682 56.100 -0.008 0.000 0.951 293 R CB -0.397 29.904 30.300 0.002 0.000 0.851 293 R HN 0.438 nan 8.270 nan 0.000 0.434 294 L N -0.267 120.898 121.223 -0.096 0.000 2.093 294 L HA -0.127 4.214 4.340 0.002 0.000 0.208 294 L C 2.647 179.431 176.870 -0.144 0.000 1.085 294 L CA 1.133 55.895 54.840 -0.129 0.000 0.755 294 L CB -0.527 41.406 42.059 -0.211 0.000 0.904 294 L HN 0.248 nan 8.230 nan 0.000 0.435 295 A N 0.353 123.056 122.820 -0.195 0.000 1.902 295 A HA -0.208 4.113 4.320 0.002 0.000 0.217 295 A C 2.333 179.836 177.584 -0.135 0.000 1.181 295 A CA 1.639 53.608 52.037 -0.112 0.000 0.623 295 A CB -0.325 18.658 19.000 -0.028 0.000 0.818 295 A HN 0.316 nan 8.150 nan 0.000 0.443 296 K N -0.638 119.699 120.400 -0.105 0.000 2.097 296 K HA -0.203 4.118 4.320 0.002 0.000 0.206 296 K C 2.376 178.917 176.600 -0.099 0.000 1.049 296 K CA 1.507 57.727 56.287 -0.111 0.000 0.933 296 K CB -0.182 32.288 32.500 -0.050 0.000 0.717 296 K HN 0.694 nan 8.250 nan 0.000 0.442 297 Q N 0.765 120.527 119.800 -0.064 0.000 2.061 297 Q HA -0.168 4.173 4.340 0.002 0.000 0.204 297 Q C 1.922 177.905 176.000 -0.029 0.000 0.984 297 Q CA 1.909 57.690 55.803 -0.036 0.000 0.846 297 Q CB 0.055 28.780 28.738 -0.022 0.000 0.902 297 Q HN 0.154 nan 8.270 nan 0.000 0.421 298 S N 0.093 115.776 115.700 -0.027 0.000 2.383 298 S HA -0.070 4.401 4.470 0.002 0.000 0.227 298 S C 1.842 176.432 174.600 -0.016 0.000 1.026 298 S CA 1.186 59.411 58.200 0.041 0.000 0.981 298 S CB -0.119 63.186 63.200 0.176 0.000 0.818 298 S HN 0.398 nan 8.310 nan 0.000 0.472 299 M N 1.064 120.495 119.600 -0.282 0.000 2.229 299 M HA -0.105 4.376 4.480 0.002 0.000 0.264 299 M C 2.272 178.503 176.300 -0.114 0.000 1.063 299 M CA 1.180 56.246 55.300 -0.390 0.000 1.114 299 M CB -0.299 31.943 32.600 -0.595 0.000 1.387 299 M HN 0.214 nan 8.290 nan 0.000 0.420 300 K N 0.987 121.347 120.400 -0.068 0.000 2.026 300 K HA -0.227 4.094 4.320 0.002 0.000 0.208 300 K C 2.027 178.673 176.600 0.077 0.000 1.048 300 K CA 1.600 57.884 56.287 -0.006 0.000 0.929 300 K CB -0.079 32.417 32.500 -0.006 0.000 0.713 300 K HN 0.153 nan 8.250 nan 0.000 0.439 301 K N -0.135 120.325 120.400 0.100 0.000 2.097 301 K HA -0.233 4.088 4.320 0.002 0.000 0.206 301 K C 2.101 178.930 176.600 0.382 0.000 1.049 301 K CA 1.753 58.150 56.287 0.184 0.000 0.933 301 K CB -0.258 32.293 32.500 0.085 0.000 0.717 301 K HN 0.392 nan 8.250 nan 0.000 0.442 302 H N -0.572 118.595 119.070 0.162 0.000 2.321 302 H HA -0.103 4.454 4.556 0.002 0.000 0.300 302 H C 1.769 177.184 175.328 0.145 0.000 1.087 302 H CA 1.455 57.595 56.048 0.153 0.000 1.319 302 H CB 0.276 30.098 29.762 0.100 0.000 1.379 302 H HN 0.041 nan 8.280 nan 0.000 0.501 303 V N 1.193 121.231 119.914 0.207 0.000 2.515 303 V HA -0.181 3.940 4.120 0.002 0.000 0.250 303 V C 2.017 178.236 176.094 0.209 0.000 1.058 303 V CA 1.875 64.273 62.300 0.164 0.000 1.064 303 V CB -0.367 31.502 31.823 0.076 0.000 0.675 303 V HN 0.505 nan 8.190 nan 0.000 0.461 304 E N 0.676 121.002 120.200 0.210 0.000 2.118 304 E HA -0.223 4.128 4.350 0.002 0.000 0.195 304 E C 2.344 179.033 176.600 0.148 0.000 0.992 304 E CA 1.365 57.883 56.400 0.197 0.000 0.804 304 E CB -0.318 29.523 29.700 0.235 0.000 0.741 304 E HN 0.621 nan 8.360 nan 0.000 0.458 305 A N 1.203 124.073 122.820 0.082 0.000 1.902 305 A HA -0.179 4.142 4.320 0.002 0.000 0.217 305 A C 2.177 179.811 177.584 0.084 0.000 1.181 305 A CA 1.328 53.251 52.037 -0.189 0.000 0.623 305 A CB -0.445 18.302 19.000 -0.422 0.000 0.818 305 A HN 0.129 nan 8.150 nan 0.000 0.443 306 M N -0.717 118.992 119.600 0.181 0.000 2.159 306 M HA -0.115 4.367 4.480 0.002 0.000 0.263 306 M C 2.095 178.424 176.300 0.048 0.000 1.063 306 M CA 1.333 56.687 55.300 0.091 0.000 1.110 306 M CB -0.477 32.057 32.600 -0.110 0.000 1.374 306 M HN 0.373 nan 8.290 nan 0.000 0.411 307 L N -0.417 120.883 121.223 0.128 0.000 2.056 307 L HA -0.140 4.201 4.340 0.002 0.000 0.207 307 L C 2.844 179.764 176.870 0.083 0.000 1.078 307 L CA 1.055 55.988 54.840 0.155 0.000 0.749 307 L CB -0.780 41.392 42.059 0.188 0.000 0.901 307 L HN 0.287 nan 8.230 nan 0.000 0.433 308 A N -0.143 122.686 122.820 0.015 0.000 1.902 308 A HA -0.227 4.094 4.320 0.002 0.000 0.217 308 A C 2.036 179.561 177.584 -0.098 0.000 1.181 308 A CA 1.515 53.505 52.037 -0.077 0.000 0.623 308 A CB -0.821 18.068 19.000 -0.185 0.000 0.818 308 A HN 0.280 nan 8.150 nan 0.000 0.443 309 F N 0.013 119.936 119.950 -0.044 0.000 2.126 309 F HA -0.222 4.306 4.527 0.002 0.000 0.299 309 F C 2.638 178.417 175.800 -0.035 0.000 1.096 309 F CA 1.852 59.817 58.000 -0.058 0.000 1.255 309 F CB -0.658 38.279 39.000 -0.106 0.000 0.997 309 F HN 0.401 nan 8.300 nan 0.000 0.479 310 Q N 0.123 120.013 119.800 0.150 0.000 2.061 310 Q HA -0.291 4.050 4.340 0.002 0.000 0.204 310 Q C 2.181 178.236 176.000 0.092 0.000 0.984 310 Q CA 1.961 57.825 55.803 0.101 0.000 0.846 310 Q CB -0.259 28.539 28.738 0.100 0.000 0.902 310 Q HN 0.452 nan 8.270 nan 0.000 0.421 311 Q N -0.037 119.808 119.800 0.075 0.000 2.234 311 Q HA -0.150 4.191 4.340 0.002 0.000 0.206 311 Q C 1.413 177.441 176.000 0.047 0.000 0.980 311 Q CA 1.477 57.314 55.803 0.055 0.000 0.869 311 Q CB 0.164 28.924 28.738 0.037 0.000 0.912 311 Q HN 0.245 nan 8.270 nan 0.000 0.436 312 K N -1.669 118.761 120.400 0.050 0.000 2.444 312 K HA 0.091 4.412 4.320 0.002 0.000 0.193 312 K C 0.773 177.420 176.600 0.078 0.000 1.024 312 K CA 0.529 56.848 56.287 0.053 0.000 1.077 312 K CB 0.736 33.261 32.500 0.042 0.000 0.833 312 K HN 0.326 nan 8.250 nan 0.000 0.517 313 G N 0.937 109.789 108.800 0.086 0.000 2.229 313 G HA2 -0.233 3.728 3.960 0.002 0.000 0.189 313 G HA3 -0.233 3.728 3.960 0.002 0.000 0.189 313 G C 0.061 175.017 174.900 0.093 0.000 1.000 313 G CA 0.002 45.152 45.100 0.084 0.000 0.663 313 G HN 0.297 nan 8.290 nan 0.000 0.493 314 S N 0.501 116.268 115.700 0.111 0.000 2.580 314 S HA 0.684 5.155 4.470 0.002 0.000 0.274 314 S C 0.390 175.023 174.600 0.055 0.000 1.329 314 S CA -0.544 57.710 58.200 0.090 0.000 1.036 314 S CB 1.824 65.060 63.200 0.059 0.000 0.919 314 S HN 0.449 nan 8.310 nan 0.000 0.515 315 I N 2.393 122.993 120.570 0.051 0.000 2.396 315 I HA 0.245 4.416 4.170 0.002 0.000 0.289 315 I C -0.581 175.575 176.117 0.066 0.000 1.056 315 I CA -0.374 60.937 61.300 0.018 0.000 1.365 315 I CB 0.571 38.525 38.000 -0.078 0.000 1.407 315 I HN 0.362 nan 8.210 nan 0.000 0.509 316 V N 7.593 127.544 119.914 0.061 0.000 2.680 316 V HA 0.605 4.726 4.120 0.002 0.000 0.309 316 V C -0.487 175.689 176.094 0.137 0.000 1.052 316 V CA -0.684 61.558 62.300 -0.097 0.000 0.908 316 V CB 1.608 33.206 31.823 -0.375 0.000 1.001 316 V HN 0.610 nan 8.190 nan 0.000 0.431 317 F N 0.268 120.208 119.950 -0.017 0.000 2.668 317 F HA 0.643 5.171 4.527 0.003 0.000 0.309 317 F C -0.969 175.045 175.800 0.356 0.000 1.117 317 F CA -1.056 57.115 58.000 0.285 0.000 0.951 317 F CB 1.581 40.788 39.000 0.346 0.000 1.323 317 F HN 0.491 nan 8.300 nan 0.000 0.451 318 D N 1.412 122.233 120.400 0.703 0.000 2.249 318 D HA 0.089 4.731 4.640 0.002 0.000 0.246 318 D C -1.280 175.424 176.300 0.675 0.000 1.114 318 D CA -0.020 54.306 54.000 0.544 0.000 0.854 318 D CB 1.058 42.103 40.800 0.408 0.000 1.132 318 D HN 0.834 nan 8.370 nan 0.000 0.461 319 Y N 2.766 123.232 120.300 0.277 0.000 2.897 319 Y HA 0.294 4.845 4.550 0.002 0.000 0.372 319 Y C 1.215 177.220 175.900 0.175 0.000 1.034 319 Y CA -0.056 58.156 58.100 0.187 0.000 1.627 319 Y CB -0.097 38.362 38.460 -0.002 0.000 1.474 319 Y HN 0.740 nan 8.280 nan 0.000 0.517 320 G N 2.146 111.125 108.800 0.299 0.000 2.198 320 G HA2 -0.381 3.580 3.960 0.002 0.000 0.257 320 G HA3 -0.381 3.580 3.960 0.002 0.000 0.257 320 G C 0.206 175.175 174.900 0.115 0.000 1.042 320 G CA 0.613 45.843 45.100 0.216 0.000 0.791 320 G HN 0.683 nan 8.290 nan 0.000 0.502 321 N N -0.282 118.498 118.700 0.132 0.000 2.197 321 N HA 0.142 4.883 4.740 0.002 0.000 0.228 321 N C 0.704 176.289 175.510 0.125 0.000 1.212 321 N CA 0.005 53.146 53.050 0.151 0.000 0.883 321 N CB -0.139 38.455 38.487 0.179 0.000 1.107 321 N HN 0.319 nan 8.380 nan 0.000 0.519 322 N N 0.091 118.834 118.700 0.072 0.000 2.741 322 N HA -0.211 4.530 4.740 0.002 0.000 0.251 322 N C 0.432 175.891 175.510 -0.086 0.000 1.112 322 N CA 0.749 53.785 53.050 -0.024 0.000 0.750 322 N CB -1.680 36.758 38.487 -0.082 0.000 1.119 322 N HN 0.598 nan 8.380 nan 0.000 0.561 323 I N -0.086 120.446 120.570 -0.064 0.000 2.286 323 I HA -0.273 3.898 4.170 0.002 0.000 0.248 323 I C 2.183 178.172 176.117 -0.213 0.000 1.115 323 I CA 1.350 62.572 61.300 -0.129 0.000 1.392 323 I CB -0.009 37.915 38.000 -0.126 0.000 1.065 323 I HN 0.273 nan 8.210 nan 0.000 0.418 324 R N -0.032 120.273 120.500 -0.324 0.000 2.083 324 R HA -0.274 4.067 4.340 0.002 0.000 0.237 324 R C 2.305 178.265 176.300 -0.567 0.000 1.137 324 R CA 1.926 57.632 56.100 -0.658 0.000 0.951 324 R CB -0.494 29.013 30.300 -1.322 0.000 0.851 324 R HN 0.369 nan 8.270 nan 0.000 0.434 325 Q N 0.691 120.290 119.800 -0.336 0.000 2.096 325 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 325 Q C 1.993 177.966 176.000 -0.044 0.000 0.982 325 Q CA 1.668 57.462 55.803 -0.014 0.000 0.850 325 Q CB -0.196 28.492 28.738 -0.084 0.000 0.901 325 Q HN 0.150 nan 8.270 nan 0.000 0.422 326 V N 0.580 120.429 119.914 -0.109 0.000 2.287 326 V HA -0.314 3.807 4.120 0.002 0.000 0.248 326 V C 2.268 178.320 176.094 -0.071 0.000 1.053 326 V CA 1.928 64.180 62.300 -0.080 0.000 1.027 326 V CB -1.318 30.430 31.823 -0.124 0.000 0.646 326 V HN 0.541 nan 8.190 nan 0.000 0.447 327 A N 0.006 122.761 122.820 -0.109 0.000 1.877 327 A HA -0.281 4.040 4.320 0.002 0.000 0.216 327 A C 2.217 179.785 177.584 -0.028 0.000 1.186 327 A CA 2.359 54.350 52.037 -0.077 0.000 0.620 327 A CB -0.549 18.393 19.000 -0.097 0.000 0.822 327 A HN 0.492 nan 8.150 nan 0.000 0.443 328 K N 0.521 120.911 120.400 -0.017 0.000 2.020 328 K HA -0.194 4.128 4.320 0.002 0.000 0.212 328 K C 1.268 177.917 176.600 0.081 0.000 1.050 328 K CA 2.150 58.489 56.287 0.086 0.000 0.929 328 K CB -0.492 32.169 32.500 0.268 0.000 0.714 328 K HN 0.426 nan 8.250 nan 0.000 0.443 329 D N 0.497 120.942 120.400 0.075 0.000 2.309 329 D HA -0.120 4.521 4.640 0.002 0.000 0.212 329 D C 1.113 177.439 176.300 0.045 0.000 0.968 329 D CA 0.765 54.807 54.000 0.070 0.000 0.882 329 D CB 0.031 40.879 40.800 0.079 0.000 0.918 329 D HN 0.326 nan 8.370 nan 0.000 0.503 330 E N -0.615 119.601 120.200 0.026 0.000 2.479 330 E HA 0.162 4.513 4.350 0.002 0.000 0.193 330 E C 1.484 178.097 176.600 0.022 0.000 1.049 330 E CA 0.324 56.734 56.400 0.017 0.000 0.870 330 E CB 0.721 30.420 29.700 -0.001 0.000 0.944 330 E HN 0.357 nan 8.360 nan 0.000 0.492 331 G N 0.823 109.643 108.800 0.032 0.000 2.231 331 G HA2 -0.222 3.739 3.960 0.002 0.000 0.206 331 G HA3 -0.222 3.739 3.960 0.002 0.000 0.206 331 G C 0.287 175.209 174.900 0.037 0.000 0.996 331 G CA -0.158 44.962 45.100 0.033 0.000 0.645 331 G HN 0.287 nan 8.290 nan 0.000 0.498 332 L N 2.311 123.555 121.223 0.036 0.000 2.617 332 L HA 0.178 4.519 4.340 0.002 0.000 0.282 332 L C 1.754 178.657 176.870 0.055 0.000 1.174 332 L CA -0.206 54.658 54.840 0.040 0.000 1.016 332 L CB 0.293 42.368 42.059 0.027 0.000 1.337 332 L HN 0.243 nan 8.230 nan 0.000 0.460 333 E N 2.129 122.364 120.200 0.058 0.000 2.130 333 E HA -0.204 4.147 4.350 0.002 0.000 0.196 333 E C 0.965 177.616 176.600 0.086 0.000 0.998 333 E CA 1.356 57.797 56.400 0.068 0.000 0.806 333 E CB 0.137 29.869 29.700 0.053 0.000 0.738 333 E HN 0.791 nan 8.360 nan 0.000 0.459 334 N N -0.152 118.593 118.700 0.075 0.000 2.295 334 N HA 0.124 4.865 4.740 0.002 0.000 0.221 334 N C 1.159 176.702 175.510 0.054 0.000 1.129 334 N CA 0.559 53.657 53.050 0.081 0.000 0.836 334 N CB 0.377 38.911 38.487 0.078 0.000 1.040 334 N HN -0.062 nan 8.380 nan 0.000 0.494 335 A N 0.549 123.381 122.820 0.019 0.000 1.986 335 A HA -0.104 4.218 4.320 0.002 0.000 0.220 335 A C 0.975 178.279 177.584 -0.466 0.000 1.171 335 A CA 0.893 52.825 52.037 -0.176 0.000 0.640 335 A CB -0.820 18.044 19.000 -0.227 0.000 0.811 335 A HN 0.288 nan 8.150 nan 0.000 0.451 336 F N 0.136 119.961 119.950 -0.208 0.000 2.701 336 F HA 0.141 4.669 4.527 0.002 0.000 0.295 336 F C 0.933 176.617 175.800 -0.193 0.000 1.165 336 F CA -0.182 57.654 58.000 -0.273 0.000 1.399 336 F CB 0.114 39.025 39.000 -0.148 0.000 0.996 336 F HN 0.116 nan 8.300 nan 0.000 0.513 337 D N 0.242 120.624 120.400 -0.030 0.000 2.312 337 D HA -0.068 4.573 4.640 0.002 0.000 0.211 337 D C 0.214 176.626 176.300 0.188 0.000 0.964 337 D CA 0.873 54.935 54.000 0.104 0.000 0.877 337 D CB -0.055 40.839 40.800 0.157 0.000 0.924 337 D HN 0.241 nan 8.370 nan 0.000 0.515 338 F N -0.681 119.326 119.950 0.095 0.000 2.508 338 F HA 0.635 5.163 4.527 0.002 0.000 0.325 338 F C -2.628 173.253 175.800 0.134 0.000 1.090 338 F CA -3.042 55.023 58.000 0.108 0.000 0.945 338 F CB 0.801 39.862 39.000 0.101 0.000 1.156 338 F HN -0.313 nan 8.300 nan 0.000 0.463 339 P HA 0.297 nan 4.420 nan 0.000 0.276 339 P C -0.218 177.251 177.300 0.282 0.000 1.252 339 P CA -0.150 63.069 63.100 0.199 0.000 0.802 339 P CB 1.338 33.098 31.700 0.100 0.000 1.035 340 G N 0.398 109.317 108.800 0.198 0.000 2.503 340 G HA2 0.229 4.190 3.960 0.002 0.000 0.257 340 G HA3 0.229 4.190 3.960 0.002 0.000 0.257 340 G C 0.688 175.708 174.900 0.200 0.000 1.214 340 G CA -0.712 44.539 45.100 0.253 0.000 0.839 340 G HN 0.552 nan 8.290 nan 0.000 0.559 341 F N 0.925 121.034 119.950 0.264 0.000 2.269 341 F HA -0.078 4.450 4.527 0.001 0.000 0.301 341 F C 1.935 177.751 175.800 0.026 0.000 1.082 341 F CA 0.882 58.984 58.000 0.170 0.000 1.360 341 F CB -0.543 38.678 39.000 0.368 0.000 1.041 341 F HN 0.151 nan 8.300 nan 0.000 0.512 342 V N 2.218 121.718 119.914 -0.691 0.000 2.283 342 V HA -0.129 3.993 4.120 0.002 0.000 0.243 342 V C -0.127 175.809 176.094 -0.264 0.000 1.039 342 V CA 1.976 63.969 62.300 -0.512 0.000 1.016 342 V CB -1.820 29.710 31.823 -0.488 0.000 0.650 342 V HN 0.251 nan 8.190 nan 0.000 0.449 343 P HA -0.029 nan 4.420 nan 0.000 0.225 343 P C 1.324 178.506 177.300 -0.197 0.000 1.156 343 P CA 1.708 64.731 63.100 -0.129 0.000 0.787 343 P CB 0.180 31.845 31.700 -0.057 0.000 0.802 344 A N -1.052 121.565 122.820 -0.339 0.000 1.878 344 A HA -0.037 4.284 4.320 0.002 0.000 0.213 344 A C 1.465 178.588 177.584 -0.768 0.000 1.192 344 A CA 1.114 52.747 52.037 -0.673 0.000 0.619 344 A CB -0.899 17.440 19.000 -1.101 0.000 0.837 344 A HN 0.131 nan 8.150 nan 0.000 0.446 345 Y N -2.526 117.706 120.300 -0.114 0.000 2.476 345 Y HA 0.345 4.896 4.550 0.001 0.000 0.274 345 Y C 1.666 177.451 175.900 -0.192 0.000 1.120 345 Y CA -0.703 57.304 58.100 -0.156 0.000 1.214 345 Y CB 0.493 38.823 38.460 -0.216 0.000 1.285 345 Y HN 0.091 nan 8.280 nan 0.000 0.520 346 I N -0.004 120.507 120.570 -0.098 0.000 3.339 346 I HA 0.060 4.231 4.170 0.002 0.000 0.285 346 I C 2.279 178.129 176.117 -0.445 0.000 1.201 346 I CA 0.587 61.727 61.300 -0.267 0.000 1.434 346 I CB -0.704 37.139 38.000 -0.263 0.000 1.152 346 I HN 0.132 nan 8.210 nan 0.000 0.443 347 R N 1.838 122.121 120.500 -0.362 0.000 2.140 347 R HA -0.203 4.138 4.340 0.002 0.000 0.250 347 R C -0.548 175.562 176.300 -0.317 0.000 1.150 347 R CA 2.300 58.208 56.100 -0.320 0.000 0.966 347 R CB -1.167 28.995 30.300 -0.231 0.000 0.869 347 R HN 0.180 nan 8.270 nan 0.000 0.445 348 P HA -0.183 nan 4.420 nan 0.000 0.216 348 P C 0.958 178.166 177.300 -0.154 0.000 1.150 348 P CA 1.379 64.376 63.100 -0.172 0.000 0.843 348 P CB -0.047 31.587 31.700 -0.111 0.000 0.787 349 L N -2.831 118.289 121.223 -0.171 0.000 2.046 349 L HA -0.162 4.179 4.340 0.002 0.000 0.208 349 L C 2.305 179.186 176.870 0.019 0.000 1.077 349 L CA 1.259 56.055 54.840 -0.073 0.000 0.747 349 L CB -0.958 41.068 42.059 -0.056 0.000 0.896 349 L HN -0.068 nan 8.230 nan 0.000 0.432 350 F N -0.185 119.686 119.950 -0.132 0.000 2.216 350 F HA -0.206 4.322 4.527 0.002 0.000 0.300 350 F C 2.572 178.133 175.800 -0.398 0.000 1.085 350 F CA 0.416 58.258 58.000 -0.264 0.000 1.326 350 F CB -1.479 37.277 39.000 -0.406 0.000 1.027 350 F HN 0.150 nan 8.300 nan 0.000 0.497 351 C N -0.069 119.083 119.300 -0.248 0.000 2.466 351 C HA -0.093 4.368 4.460 0.002 0.000 0.283 351 C C 1.910 176.847 174.990 -0.088 0.000 1.472 351 C CA 0.594 59.470 59.018 -0.237 0.000 1.765 351 C CB -1.384 26.238 27.740 -0.197 0.000 1.724 351 C HN 0.395 nan 8.230 nan 0.000 0.560 352 E N -0.516 119.664 120.200 -0.034 0.000 2.538 352 E HA 0.221 4.572 4.350 0.002 0.000 0.207 352 E C 1.481 178.112 176.600 0.051 0.000 1.002 352 E CA 0.563 56.969 56.400 0.010 0.000 0.952 352 E CB 0.309 30.018 29.700 0.016 0.000 1.031 352 E HN 0.554 nan 8.360 nan 0.000 0.476 353 G N 2.537 111.365 108.800 0.046 0.000 2.148 353 G HA2 -0.309 3.652 3.960 0.002 0.000 0.254 353 G HA3 -0.309 3.652 3.960 0.002 0.000 0.254 353 G C 0.200 175.131 174.900 0.051 0.000 0.981 353 G CA 0.353 45.494 45.100 0.068 0.000 0.670 353 G HN 0.161 nan 8.290 nan 0.000 0.528 354 K N -0.010 120.457 120.400 0.111 0.000 2.126 354 K HA 0.625 4.946 4.320 0.002 0.000 0.257 354 K C 0.706 177.366 176.600 0.099 0.000 1.007 354 K CA 0.381 56.752 56.287 0.141 0.000 0.928 354 K CB 1.254 33.926 32.500 0.287 0.000 1.013 354 K HN 0.772 nan 8.250 nan 0.000 0.473 355 G N 0.781 109.392 108.800 -0.315 0.000 2.356 355 G HA2 0.123 4.085 3.960 0.002 0.000 0.294 355 G HA3 0.123 4.085 3.960 0.002 0.000 0.294 355 G C -2.907 171.031 174.900 -1.602 0.000 1.423 355 G CA -0.890 43.629 45.100 -0.968 0.000 0.806 355 G HN 0.330 nan 8.290 nan 0.000 0.527 356 P HA 0.146 nan 4.420 nan 0.000 0.246 356 P C -0.131 177.002 177.300 -0.279 0.000 1.675 356 P CA -0.131 62.483 63.100 -0.811 0.000 0.908 356 P CB -0.601 30.931 31.700 -0.279 0.000 1.890 357 F N 3.230 122.954 119.950 -0.377 0.000 2.602 357 F HA 0.098 4.626 4.527 0.002 0.000 0.367 357 F C 1.165 176.920 175.800 -0.075 0.000 1.126 357 F CA 0.290 58.217 58.000 -0.122 0.000 1.321 357 F CB 0.568 39.559 39.000 -0.015 0.000 1.094 357 F HN 0.223 nan 8.300 nan 0.000 0.594 358 R N 3.745 123.971 120.500 -0.456 0.000 2.747 358 R HA 0.678 5.019 4.340 0.002 0.000 0.272 358 R C -2.315 173.800 176.300 -0.307 0.000 1.032 358 R CA -1.063 54.769 56.100 -0.447 0.000 0.896 358 R CB 1.535 31.666 30.300 -0.283 0.000 1.253 358 R HN 0.746 nan 8.270 nan 0.000 0.461 359 W N -0.861 120.315 121.300 -0.207 0.000 3.363 359 W HA 0.807 5.467 4.660 0.001 0.000 0.306 359 W C -2.066 174.400 176.519 -0.088 0.000 1.253 359 W CA -0.831 56.407 57.345 -0.179 0.000 1.195 359 W CB 1.071 30.419 29.460 -0.187 0.000 1.366 359 W HN 0.868 nan 8.180 nan 0.000 0.551 360 A N 1.605 124.525 122.820 0.167 0.000 2.401 360 A HA 0.931 5.252 4.320 0.002 0.000 0.310 360 A C -0.957 176.684 177.584 0.095 0.000 1.075 360 A CA -0.702 51.388 52.037 0.089 0.000 0.746 360 A CB 1.345 20.387 19.000 0.069 0.000 1.277 360 A HN 1.631 nan 8.150 nan 0.000 0.425 361 A N 1.713 124.547 122.820 0.023 0.000 2.316 361 A HA 0.528 4.849 4.320 0.002 0.000 0.311 361 A C 0.710 178.294 177.584 -0.001 0.000 1.339 361 A CA -0.461 51.568 52.037 -0.014 0.000 0.960 361 A CB -0.461 18.489 19.000 -0.083 0.000 1.152 361 A HN 0.886 nan 8.150 nan 0.000 0.547 362 L N 2.519 123.757 121.223 0.024 0.000 2.265 362 L HA -0.174 4.167 4.340 0.002 0.000 0.215 362 L C 2.736 179.660 176.870 0.091 0.000 1.117 362 L CA 1.522 56.416 54.840 0.091 0.000 0.782 362 L CB -0.350 41.798 42.059 0.149 0.000 0.914 362 L HN 0.902 nan 8.230 nan 0.000 0.441 363 S N -0.324 115.391 115.700 0.024 0.000 2.383 363 S HA -0.074 4.397 4.470 0.002 0.000 0.227 363 S C 1.752 176.368 174.600 0.027 0.000 1.026 363 S CA 0.913 59.135 58.200 0.036 0.000 0.981 363 S CB -0.217 62.977 63.200 -0.010 0.000 0.818 363 S HN 0.541 nan 8.310 nan 0.000 0.472 364 G N 0.764 109.557 108.800 -0.012 0.000 2.175 364 G HA2 -0.198 3.763 3.960 0.002 0.000 0.244 364 G HA3 -0.198 3.763 3.960 0.002 0.000 0.244 364 G C -0.317 174.544 174.900 -0.066 0.000 0.982 364 G CA 0.169 45.252 45.100 -0.029 0.000 0.641 364 G HN 0.659 nan 8.290 nan 0.000 0.527 365 D N 0.812 121.166 120.400 -0.077 0.000 2.329 365 D HA 0.432 5.073 4.640 0.002 0.000 0.232 365 D C -0.349 175.843 176.300 -0.180 0.000 1.088 365 D CA -1.842 52.109 54.000 -0.081 0.000 0.835 365 D CB 1.811 42.593 40.800 -0.030 0.000 1.078 365 D HN 0.104 nan 8.370 nan 0.000 0.495 366 P HA -0.172 nan 4.420 nan 0.000 0.220 366 P C 1.048 178.051 177.300 -0.496 0.000 1.144 366 P CA 0.682 63.466 63.100 -0.526 0.000 0.800 366 P CB 0.269 31.797 31.700 -0.286 0.000 0.772 367 A N 0.656 123.429 122.820 -0.079 0.000 1.940 367 A HA -0.217 4.104 4.320 0.002 0.000 0.219 367 A C 2.053 179.645 177.584 0.014 0.000 1.176 367 A CA 2.056 54.161 52.037 0.113 0.000 0.631 367 A CB -1.225 17.842 19.000 0.112 0.000 0.814 367 A HN 0.087 nan 8.150 nan 0.000 0.446 368 D N -0.071 120.285 120.400 -0.073 0.000 2.117 368 D HA -0.123 4.519 4.640 0.002 0.000 0.197 368 D C 1.860 178.134 176.300 -0.042 0.000 0.987 368 D CA 0.974 54.940 54.000 -0.058 0.000 0.829 368 D CB -0.207 40.547 40.800 -0.077 0.000 0.961 368 D HN 0.346 nan 8.370 nan 0.000 0.460 369 I N 0.338 120.816 120.570 -0.153 0.000 2.252 369 I HA -0.233 3.938 4.170 0.002 0.000 0.245 369 I C 2.131 178.292 176.117 0.073 0.000 1.102 369 I CA 0.953 62.227 61.300 -0.045 0.000 1.385 369 I CB -1.115 36.727 38.000 -0.263 0.000 1.064 369 I HN 0.043 nan 8.210 nan 0.000 0.414 370 Y N 0.699 121.087 120.300 0.147 0.000 2.224 370 Y HA -0.175 4.376 4.550 0.002 0.000 0.289 370 Y C 2.717 178.670 175.900 0.089 0.000 1.146 370 Y CA 0.851 59.026 58.100 0.126 0.000 1.182 370 Y CB -0.884 37.633 38.460 0.096 0.000 0.983 370 Y HN 0.070 nan 8.280 nan 0.000 0.524 371 R N 0.743 121.359 120.500 0.195 0.000 2.075 371 R HA -0.108 4.234 4.340 0.002 0.000 0.232 371 R C 2.171 178.517 176.300 0.076 0.000 1.126 371 R CA 1.968 58.130 56.100 0.103 0.000 0.963 371 R CB -1.308 29.021 30.300 0.049 0.000 0.858 371 R HN 0.519 nan 8.270 nan 0.000 0.435 372 T N -1.936 112.671 114.554 0.089 0.000 2.995 372 T HA -0.028 4.323 4.350 0.002 0.000 0.269 372 T C 1.312 176.125 174.700 0.188 0.000 1.091 372 T CA 1.046 63.178 62.100 0.053 0.000 1.128 372 T CB -0.088 68.778 68.868 -0.004 0.000 0.891 372 T HN 0.038 nan 8.240 nan 0.000 0.492 373 D N 1.931 122.483 120.400 0.255 0.000 2.123 373 D HA 0.120 4.761 4.640 0.002 0.000 0.200 373 D C 2.439 178.823 176.300 0.141 0.000 0.976 373 D CA 1.370 55.522 54.000 0.254 0.000 0.831 373 D CB -0.531 40.421 40.800 0.253 0.000 0.974 373 D HN 0.549 nan 8.370 nan 0.000 0.469 374 A N 0.802 123.683 122.820 0.102 0.000 1.930 374 A HA -0.066 4.255 4.320 0.002 0.000 0.217 374 A C 2.266 179.859 177.584 0.015 0.000 1.175 374 A CA 0.571 52.631 52.037 0.038 0.000 0.627 374 A CB -0.706 18.316 19.000 0.036 0.000 0.815 374 A HN 0.240 nan 8.150 nan 0.000 0.443 375 L N -0.438 120.798 121.223 0.022 0.000 2.012 375 L HA -0.201 4.140 4.340 0.002 0.000 0.210 375 L C 2.526 179.398 176.870 0.005 0.000 1.073 375 L CA 1.528 56.358 54.840 -0.017 0.000 0.748 375 L CB -0.343 41.683 42.059 -0.054 0.000 0.891 375 L HN 0.436 nan 8.230 nan 0.000 0.431 376 L N -0.179 121.107 121.223 0.104 0.000 2.021 376 L HA -0.336 4.005 4.340 0.002 0.000 0.215 376 L C 2.693 179.686 176.870 0.205 0.000 1.074 376 L CA 1.831 56.831 54.840 0.265 0.000 0.760 376 L CB -0.488 41.784 42.059 0.356 0.000 0.889 376 L HN 0.296 nan 8.230 nan 0.000 0.433 377 K N -0.282 120.115 120.400 -0.006 0.000 2.097 377 K HA -0.181 4.140 4.320 0.002 0.000 0.205 377 K C 1.926 178.524 176.600 -0.003 0.000 1.050 377 K CA 1.416 57.583 56.287 -0.201 0.000 0.938 377 K CB -0.122 32.160 32.500 -0.364 0.000 0.718 377 K HN 0.415 nan 8.250 nan 0.000 0.442 378 E N 0.843 121.022 120.200 -0.035 0.000 2.106 378 E HA -0.104 4.248 4.350 0.002 0.000 0.192 378 E C 1.935 178.456 176.600 -0.131 0.000 0.984 378 E CA 0.765 57.133 56.400 -0.053 0.000 0.806 378 E CB 0.028 29.690 29.700 -0.062 0.000 0.750 378 E HN 0.219 nan 8.360 nan 0.000 0.458 379 L N -0.476 120.580 121.223 -0.278 0.000 2.209 379 L HA 0.019 4.360 4.340 0.002 0.000 0.207 379 L C 0.375 176.711 176.870 -0.891 0.000 1.094 379 L CA 0.553 54.983 54.840 -0.683 0.000 0.790 379 L CB 0.226 41.641 42.059 -1.073 0.000 0.932 379 L HN 0.081 nan 8.230 nan 0.000 0.447 380 F N -0.593 119.440 119.950 0.139 0.000 2.584 380 F HA 0.300 4.827 4.527 0.000 0.000 0.328 380 F C -1.556 174.418 175.800 0.290 0.000 1.407 380 F CA -1.659 56.445 58.000 0.174 0.000 1.145 380 F CB 0.169 39.279 39.000 0.182 0.000 1.440 380 F HN -0.174 nan 8.300 nan 0.000 0.580 381 P HA -0.134 nan 4.420 nan 0.000 0.219 381 P C 0.926 178.287 177.300 0.101 0.000 1.146 381 P CA 1.446 64.707 63.100 0.268 0.000 0.808 381 P CB 0.204 31.985 31.700 0.135 0.000 0.779 382 T N -1.441 113.146 114.554 0.055 0.000 3.069 382 T HA 0.047 4.399 4.350 0.002 0.000 0.252 382 T C 0.902 175.548 174.700 -0.090 0.000 1.053 382 T CA -0.130 61.954 62.100 -0.026 0.000 0.964 382 T CB -0.548 68.334 68.868 0.023 0.000 1.005 382 T HN 0.058 nan 8.240 nan 0.000 0.532 383 N N 2.297 120.923 118.700 -0.123 0.000 2.663 383 N HA 0.112 4.853 4.740 0.002 0.000 0.250 383 N C 0.821 176.178 175.510 -0.256 0.000 1.129 383 N CA -0.023 52.972 53.050 -0.090 0.000 0.995 383 N CB 0.521 39.051 38.487 0.072 0.000 1.324 383 N HN 0.304 nan 8.380 nan 0.000 0.512 384 K N 1.356 121.650 120.400 -0.177 0.000 2.147 384 K HA -0.101 4.220 4.320 0.002 0.000 0.205 384 K C 1.764 178.369 176.600 0.009 0.000 1.049 384 K CA 1.422 57.634 56.287 -0.126 0.000 0.936 384 K CB 0.122 32.589 32.500 -0.056 0.000 0.722 384 K HN 0.444 nan 8.250 nan 0.000 0.446 385 A N 1.721 124.567 122.820 0.044 0.000 1.898 385 A HA -0.100 4.221 4.320 0.002 0.000 0.216 385 A C 2.056 179.761 177.584 0.202 0.000 1.181 385 A CA 0.872 52.977 52.037 0.113 0.000 0.620 385 A CB -0.487 18.562 19.000 0.083 0.000 0.819 385 A HN 0.229 nan 8.150 nan 0.000 0.442 386 L N -0.138 121.211 121.223 0.212 0.000 2.046 386 L HA -0.186 4.155 4.340 0.002 0.000 0.208 386 L C 2.142 179.267 176.870 0.425 0.000 1.077 386 L CA 2.317 57.352 54.840 0.325 0.000 0.747 386 L CB -1.344 40.895 42.059 0.301 0.000 0.896 386 L HN 0.603 nan 8.230 nan 0.000 0.432 387 H N -0.827 118.344 119.070 0.169 0.000 2.457 387 H HA -0.096 4.462 4.556 0.004 0.000 0.294 387 H C 2.242 177.622 175.328 0.086 0.000 1.064 387 H CA 0.721 56.847 56.048 0.130 0.000 1.330 387 H CB 0.392 30.216 29.762 0.104 0.000 1.395 387 H HN 0.357 nan 8.280 nan 0.000 0.541 388 R N 0.333 120.969 120.500 0.226 0.000 2.073 388 R HA -0.125 4.217 4.340 0.002 0.000 0.229 388 R C 2.282 178.625 176.300 0.072 0.000 1.120 388 R CA 0.897 57.070 56.100 0.122 0.000 0.967 388 R CB -0.177 30.199 30.300 0.126 0.000 0.862 388 R HN 0.485 nan 8.270 nan 0.000 0.436 389 W N 1.414 122.730 121.300 0.026 0.000 2.355 389 W HA -0.210 4.450 4.660 0.000 0.000 0.309 389 W C 1.721 178.225 176.519 -0.025 0.000 1.206 389 W CA 1.224 58.545 57.345 -0.040 0.000 1.284 389 W CB -0.333 29.135 29.460 0.012 0.000 1.145 389 W HN 0.080 nan 8.180 nan 0.000 0.502 390 I N 1.381 121.856 120.570 -0.159 0.000 2.226 390 I HA -0.335 3.836 4.170 0.002 0.000 0.245 390 I C 2.018 177.974 176.117 -0.268 0.000 1.100 390 I CA 2.226 63.400 61.300 -0.209 0.000 1.374 390 I CB -0.561 37.471 38.000 0.054 0.000 1.057 390 I HN -0.157 nan 8.210 nan 0.000 0.413 391 D N 0.343 120.634 120.400 -0.182 0.000 2.144 391 D HA -0.194 4.447 4.640 0.002 0.000 0.200 391 D C 2.273 178.408 176.300 -0.276 0.000 0.978 391 D CA 1.441 55.339 54.000 -0.170 0.000 0.833 391 D CB -0.180 40.564 40.800 -0.093 0.000 0.961 391 D HN 0.415 nan 8.370 nan 0.000 0.470 392 M N 0.701 120.066 119.600 -0.393 0.000 2.086 392 M HA -0.156 4.326 4.480 0.002 0.000 0.261 392 M C 2.391 178.335 176.300 -0.594 0.000 1.067 392 M CA 1.468 56.477 55.300 -0.484 0.000 1.116 392 M CB -0.201 32.035 32.600 -0.606 0.000 1.348 392 M HN -0.028 nan 8.290 nan 0.000 0.407 393 A N -0.326 121.977 122.820 -0.862 0.000 1.883 393 A HA -0.272 4.049 4.320 0.002 0.000 0.217 393 A C 1.965 179.301 177.584 -0.413 0.000 1.186 393 A CA 1.984 53.592 52.037 -0.714 0.000 0.624 393 A CB -0.919 17.629 19.000 -0.753 0.000 0.822 393 A HN 0.575 nan 8.150 nan 0.000 0.444 394 Q N -1.101 118.515 119.800 -0.305 0.000 2.124 394 Q HA -0.226 4.115 4.340 0.002 0.000 0.202 394 Q C 2.091 177.968 176.000 -0.205 0.000 0.977 394 Q CA 1.846 57.546 55.803 -0.173 0.000 0.850 394 Q CB -0.061 28.628 28.738 -0.083 0.000 0.901 394 Q HN 0.877 nan 8.270 nan 0.000 0.429 395 E N -0.551 119.507 120.200 -0.235 0.000 2.190 395 E HA -0.101 4.251 4.350 0.002 0.000 0.191 395 E C 1.332 177.788 176.600 -0.239 0.000 0.978 395 E CA 0.554 56.828 56.400 -0.211 0.000 0.839 395 E CB 0.356 29.943 29.700 -0.188 0.000 0.787 395 E HN 0.062 nan 8.360 nan 0.000 0.473 396 K N 0.220 120.442 120.400 -0.297 0.000 2.348 396 K HA 0.163 4.484 4.320 0.002 0.000 0.194 396 K C 0.034 176.411 176.600 -0.372 0.000 1.052 396 K CA 0.090 56.189 56.287 -0.314 0.000 1.004 396 K CB 1.529 33.838 32.500 -0.317 0.000 0.873 396 K HN -0.002 nan 8.250 nan 0.000 0.523 397 V N 2.697 122.382 119.914 -0.383 0.000 2.407 397 V HA 0.141 4.262 4.120 0.002 0.000 0.278 397 V C 0.075 175.908 176.094 -0.435 0.000 1.037 397 V CA -0.291 61.774 62.300 -0.392 0.000 0.900 397 V CB 1.396 33.033 31.823 -0.309 0.000 0.983 397 V HN 0.055 nan 8.190 nan 0.000 0.459 398 T N 6.177 120.537 114.554 -0.324 0.000 2.767 398 T HA 0.517 4.868 4.350 0.002 0.000 0.288 398 T C -0.114 174.516 174.700 -0.116 0.000 0.963 398 T CA -0.131 61.827 62.100 -0.237 0.000 1.019 398 T CB 0.226 69.032 68.868 -0.103 0.000 0.923 398 T HN 0.271 nan 8.240 nan 0.000 0.468 399 F N 2.461 122.425 119.950 0.023 0.000 2.545 399 F HA 0.224 4.752 4.527 0.002 0.000 0.348 399 F C 1.238 177.065 175.800 0.045 0.000 1.163 399 F CA -0.227 57.786 58.000 0.021 0.000 1.331 399 F CB 0.311 39.308 39.000 -0.005 0.000 1.138 399 F HN 0.400 nan 8.300 nan 0.000 0.602 400 Q N 0.886 120.847 119.800 0.269 0.000 2.292 400 Q HA 0.505 4.846 4.340 0.002 0.000 0.270 400 Q C 0.408 176.487 176.000 0.131 0.000 1.024 400 Q CA -0.261 55.643 55.803 0.169 0.000 0.768 400 Q CB 2.184 31.005 28.738 0.137 0.000 1.250 400 Q HN 0.945 nan 8.270 nan 0.000 0.447 401 G N 1.843 110.710 108.800 0.112 0.000 2.574 401 G HA2 -0.318 3.643 3.960 0.002 0.000 0.286 401 G HA3 -0.318 3.643 3.960 0.002 0.000 0.286 401 G C -0.295 174.636 174.900 0.052 0.000 1.212 401 G CA -0.567 44.586 45.100 0.089 0.000 0.979 401 G HN 0.538 nan 8.290 nan 0.000 0.557 402 L N 2.332 123.579 121.223 0.040 0.000 2.499 402 L HA 0.256 4.597 4.340 0.002 0.000 0.273 402 L C -1.751 175.058 176.870 -0.102 0.000 1.195 402 L CA -1.217 53.614 54.840 -0.015 0.000 0.882 402 L CB 0.487 42.561 42.059 0.024 0.000 1.133 402 L HN 0.253 nan 8.230 nan 0.000 0.483 403 P HA 0.045 nan 4.420 nan 0.000 0.263 403 P C -0.859 176.204 177.300 -0.395 0.000 1.195 403 P CA 0.475 63.151 63.100 -0.706 0.000 0.762 403 P CB 0.798 31.859 31.700 -1.066 0.000 0.799 404 S N 2.610 118.183 115.700 -0.211 0.000 2.704 404 S HA 0.823 5.294 4.470 0.002 0.000 0.296 404 S C -0.711 173.854 174.600 -0.058 0.000 1.138 404 S CA -0.707 57.430 58.200 -0.105 0.000 0.875 404 S CB 1.964 65.125 63.200 -0.064 0.000 1.151 404 S HN 0.310 nan 8.310 nan 0.000 0.500 405 R N 0.680 120.965 120.500 -0.358 0.000 2.548 405 R HA 0.647 4.988 4.340 0.002 0.000 0.280 405 R C -2.092 173.859 176.300 -0.582 0.000 1.061 405 R CA -0.520 55.325 56.100 -0.425 0.000 0.915 405 R CB 0.817 30.772 30.300 -0.574 0.000 1.210 405 R HN 0.619 nan 8.270 nan 0.000 0.442 406 I N 3.752 124.217 120.570 -0.174 0.000 2.392 406 I HA 0.619 4.790 4.170 0.002 0.000 0.295 406 I C -1.311 174.875 176.117 0.115 0.000 0.985 406 I CA -0.445 60.824 61.300 -0.051 0.000 1.221 406 I CB 1.417 39.508 38.000 0.152 0.000 1.366 406 I HN 0.725 nan 8.210 nan 0.000 0.467 407 C N 8.088 127.445 119.300 0.094 0.000 2.968 407 C HA 0.362 4.824 4.460 0.002 0.000 0.389 407 C C -1.542 173.678 174.990 0.382 0.000 1.068 407 C CA -0.661 58.526 59.018 0.283 0.000 1.272 407 C CB -0.500 27.443 27.740 0.338 0.000 1.711 407 C HN 0.768 nan 8.230 nan 0.000 0.501 408 W N 6.108 127.396 121.300 -0.021 0.000 2.381 408 W HA 0.559 5.220 4.660 0.002 0.000 0.321 408 W C 0.041 176.563 176.519 0.004 0.000 1.407 408 W CA -0.079 57.272 57.345 0.010 0.000 1.274 408 W CB 0.331 29.737 29.460 -0.090 0.000 1.310 408 W HN 0.510 nan 8.180 nan 0.000 0.551 409 L N 3.532 124.817 121.223 0.104 0.000 2.401 409 L HA 0.713 5.054 4.340 0.002 0.000 0.266 409 L C 0.853 177.623 176.870 -0.166 0.000 0.991 409 L CA -0.936 53.844 54.840 -0.101 0.000 0.818 409 L CB 1.707 43.626 42.059 -0.234 0.000 1.321 409 L HN 0.506 nan 8.230 nan 0.000 0.413 410 G N 0.024 108.751 108.800 -0.122 0.000 2.531 410 G HA2 0.190 4.151 3.960 0.002 0.000 0.281 410 G HA3 0.190 4.151 3.960 0.002 0.000 0.281 410 G C -1.195 173.661 174.900 -0.074 0.000 1.382 410 G CA -0.315 44.752 45.100 -0.054 0.000 1.045 410 G HN 0.489 nan 8.290 nan 0.000 0.533 411 Y N 0.117 120.363 120.300 -0.089 0.000 2.610 411 Y HA 0.323 4.874 4.550 0.001 0.000 0.332 411 Y C 1.463 177.331 175.900 -0.053 0.000 1.201 411 Y CA 1.762 59.818 58.100 -0.072 0.000 1.465 411 Y CB 0.734 39.171 38.460 -0.039 0.000 1.283 411 Y HN 1.133 nan 8.280 nan 0.000 0.563 412 G N 3.891 112.322 108.800 -0.614 0.000 2.812 412 G HA2 -0.358 3.604 3.960 0.002 0.000 0.219 412 G HA3 -0.358 3.604 3.960 0.002 0.000 0.219 412 G C 1.201 176.020 174.900 -0.135 0.000 1.275 412 G CA 0.526 45.436 45.100 -0.317 0.000 0.769 412 G HN 0.625 nan 8.290 nan 0.000 0.527 413 E N 0.828 120.977 120.200 -0.084 0.000 2.110 413 E HA -0.057 4.294 4.350 0.002 0.000 0.193 413 E C 2.649 179.221 176.600 -0.047 0.000 0.988 413 E CA 1.095 57.499 56.400 0.007 0.000 0.804 413 E CB -0.142 29.397 29.700 -0.268 0.000 0.745 413 E HN 0.601 nan 8.360 nan 0.000 0.458 414 R N 1.114 121.432 120.500 -0.303 0.000 2.080 414 R HA -0.161 4.181 4.340 0.002 0.000 0.236 414 R C 2.479 178.691 176.300 -0.146 0.000 1.137 414 R CA 1.556 57.361 56.100 -0.492 0.000 0.943 414 R CB -0.340 29.497 30.300 -0.770 0.000 0.846 414 R HN 0.049 nan 8.270 nan 0.000 0.431 415 K N 1.465 121.771 120.400 -0.157 0.000 2.063 415 K HA -0.231 4.090 4.320 0.002 0.000 0.208 415 K C 2.129 178.714 176.600 -0.026 0.000 1.048 415 K CA 1.769 58.005 56.287 -0.085 0.000 0.928 415 K CB -0.056 32.358 32.500 -0.143 0.000 0.713 415 K HN -0.006 nan 8.250 nan 0.000 0.442 416 K N 0.049 120.448 120.400 -0.001 0.000 2.057 416 K HA -0.189 4.132 4.320 0.002 0.000 0.207 416 K C 2.209 178.826 176.600 0.029 0.000 1.049 416 K CA 1.698 57.999 56.287 0.024 0.000 0.931 416 K CB -0.127 32.424 32.500 0.084 0.000 0.714 416 K HN 0.118 nan 8.250 nan 0.000 0.440 417 M N 0.304 119.974 119.600 0.117 0.000 2.156 417 M HA 0.020 4.501 4.480 0.002 0.000 0.264 417 M C 1.805 178.103 176.300 -0.003 0.000 1.067 417 M CA 1.851 57.203 55.300 0.086 0.000 1.131 417 M CB -0.684 32.049 32.600 0.223 0.000 1.368 417 M HN 0.204 nan 8.290 nan 0.000 0.416 418 G N 0.245 109.082 108.800 0.063 0.000 2.421 418 G HA2 -0.167 3.794 3.960 0.002 0.000 0.216 418 G HA3 -0.167 3.794 3.960 0.002 0.000 0.216 418 G C 1.525 176.408 174.900 -0.030 0.000 1.171 418 G CA 1.127 46.245 45.100 0.031 0.000 0.775 418 G HN 0.497 nan 8.290 nan 0.000 0.543 419 L N 0.618 121.826 121.223 -0.026 0.000 2.046 419 L HA -0.049 4.292 4.340 0.002 0.000 0.208 419 L C 3.423 180.257 176.870 -0.061 0.000 1.077 419 L CA 0.980 55.796 54.840 -0.040 0.000 0.747 419 L CB -0.457 41.581 42.059 -0.035 0.000 0.896 419 L HN 0.320 nan 8.230 nan 0.000 0.432 420 A N 0.389 123.165 122.820 -0.074 0.000 1.902 420 A HA -0.179 4.142 4.320 0.002 0.000 0.217 420 A C 2.221 179.737 177.584 -0.113 0.000 1.181 420 A CA 1.447 53.428 52.037 -0.094 0.000 0.623 420 A CB -0.616 18.317 19.000 -0.111 0.000 0.818 420 A HN 0.330 nan 8.150 nan 0.000 0.443 421 I N -0.334 120.149 120.570 -0.145 0.000 2.163 421 I HA -0.278 3.894 4.170 0.002 0.000 0.243 421 I C 2.408 178.443 176.117 -0.138 0.000 1.085 421 I CA 1.801 62.990 61.300 -0.184 0.000 1.347 421 I CB -0.434 37.407 38.000 -0.265 0.000 1.044 421 I HN 0.402 nan 8.210 nan 0.000 0.408 422 N N 0.605 119.240 118.700 -0.108 0.000 2.223 422 N HA -0.226 4.515 4.740 0.002 0.000 0.185 422 N C 1.842 177.304 175.510 -0.079 0.000 1.016 422 N CA 1.150 54.146 53.050 -0.089 0.000 0.863 422 N CB -0.005 38.444 38.487 -0.063 0.000 0.983 422 N HN 0.188 nan 8.380 nan 0.000 0.429 423 E N 0.372 120.528 120.200 -0.074 0.000 2.047 423 E HA -0.095 4.256 4.350 0.002 0.000 0.191 423 E C 1.931 178.491 176.600 -0.067 0.000 0.987 423 E CA 0.663 57.025 56.400 -0.062 0.000 0.799 423 E CB -0.213 29.451 29.700 -0.059 0.000 0.752 423 E HN 0.440 nan 8.360 nan 0.000 0.449 424 L N 0.264 121.439 121.223 -0.080 0.000 2.191 424 L HA -0.147 4.194 4.340 0.002 0.000 0.212 424 L C 2.508 179.328 176.870 -0.084 0.000 1.103 424 L CA 0.512 55.306 54.840 -0.078 0.000 0.769 424 L CB -0.317 41.690 42.059 -0.087 0.000 0.908 424 L HN 0.014 nan 8.230 nan 0.000 0.438 425 V N -0.089 119.763 119.914 -0.103 0.000 2.358 425 V HA -0.262 3.859 4.120 0.002 0.000 0.246 425 V C 2.659 178.694 176.094 -0.099 0.000 1.047 425 V CA 1.784 64.010 62.300 -0.124 0.000 1.035 425 V CB -0.615 31.112 31.823 -0.160 0.000 0.658 425 V HN 0.470 nan 8.190 nan 0.000 0.452 426 R N 0.784 121.237 120.500 -0.078 0.000 2.081 426 R HA -0.189 4.152 4.340 0.002 0.000 0.235 426 R C 2.395 178.671 176.300 -0.041 0.000 1.131 426 R CA 2.239 58.307 56.100 -0.053 0.000 0.960 426 R CB -0.511 29.765 30.300 -0.041 0.000 0.856 426 R HN 0.686 nan 8.270 nan 0.000 0.436 427 T N -3.746 110.783 114.554 -0.042 0.000 2.951 427 T HA 0.147 4.498 4.350 0.002 0.000 0.268 427 T C 1.487 176.169 174.700 -0.029 0.000 1.073 427 T CA 0.909 62.990 62.100 -0.031 0.000 1.134 427 T CB 0.237 69.086 68.868 -0.031 0.000 0.884 427 T HN 0.503 nan 8.240 nan 0.000 0.479 428 G N 0.984 109.761 108.800 -0.040 0.000 2.184 428 G HA2 -0.225 3.736 3.960 0.002 0.000 0.206 428 G HA3 -0.225 3.736 3.960 0.002 0.000 0.206 428 G C 0.722 175.603 174.900 -0.032 0.000 0.995 428 G CA 0.265 45.344 45.100 -0.034 0.000 0.651 428 G HN 0.519 nan 8.290 nan 0.000 0.511 429 E N -0.335 119.844 120.200 -0.035 0.000 2.204 429 E HA 0.042 4.393 4.350 0.002 0.000 0.195 429 E C 0.913 177.493 176.600 -0.033 0.000 0.990 429 E CA 0.554 56.938 56.400 -0.028 0.000 0.821 429 E CB 0.130 29.812 29.700 -0.030 0.000 0.750 429 E HN 0.507 nan 8.360 nan 0.000 0.477 430 L N 1.194 122.384 121.223 -0.054 0.000 2.296 430 L HA 0.193 4.534 4.340 0.002 0.000 0.286 430 L C 1.030 177.855 176.870 -0.074 0.000 1.023 430 L CA -0.353 54.446 54.840 -0.068 0.000 0.812 430 L CB 1.470 43.470 42.059 -0.098 0.000 1.223 430 L HN -0.158 nan 8.230 nan 0.000 0.421 431 K N 2.265 122.629 120.400 -0.059 0.000 2.362 431 K HA 0.114 4.436 4.320 0.002 0.000 0.200 431 K C 0.414 176.967 176.600 -0.079 0.000 1.046 431 K CA 0.616 56.875 56.287 -0.048 0.000 0.952 431 K CB 0.141 32.629 32.500 -0.020 0.000 0.753 431 K HN 0.677 nan 8.250 nan 0.000 0.466 432 A N 0.554 123.283 122.820 -0.150 0.000 2.581 432 A HA 0.477 4.798 4.320 0.002 0.000 0.290 432 A C -2.923 174.417 177.584 -0.408 0.000 1.119 432 A CA -1.482 50.374 52.037 -0.302 0.000 0.670 432 A CB 0.884 19.759 19.000 -0.209 0.000 1.280 432 A HN -0.220 nan 8.150 nan 0.000 0.425 433 P HA 0.354 nan 4.420 nan 0.000 0.270 433 P C -0.631 176.511 177.300 -0.263 0.000 1.223 433 P CA -0.026 62.766 63.100 -0.513 0.000 0.785 433 P CB 0.709 31.976 31.700 -0.722 0.000 0.923 434 V N 0.907 120.731 119.914 -0.150 0.000 2.588 434 V HA 0.591 4.712 4.120 0.002 0.000 0.304 434 V C -0.426 175.664 176.094 -0.007 0.000 1.042 434 V CA -1.141 61.127 62.300 -0.054 0.000 0.877 434 V CB 1.781 33.570 31.823 -0.057 0.000 0.996 434 V HN 0.407 nan 8.190 nan 0.000 0.425 435 V N 4.466 124.413 119.914 0.056 0.000 2.583 435 V HA 0.650 4.772 4.120 0.002 0.000 0.287 435 V C -0.063 176.031 176.094 0.001 0.000 1.051 435 V CA -0.191 62.132 62.300 0.040 0.000 1.010 435 V CB 0.807 32.706 31.823 0.127 0.000 0.988 435 V HN 0.806 nan 8.190 nan 0.000 0.478 436 I N 5.261 125.777 120.570 -0.091 0.000 2.378 436 I HA 0.823 4.994 4.170 0.002 0.000 0.291 436 I C 0.748 176.727 176.117 -0.231 0.000 0.992 436 I CA 0.057 61.270 61.300 -0.144 0.000 1.154 436 I CB 1.446 39.371 38.000 -0.126 0.000 1.315 436 I HN 0.988 nan 8.210 nan 0.000 0.448 437 G N 5.403 114.042 108.800 -0.268 0.000 2.896 437 G HA2 0.835 4.796 3.960 0.002 0.000 0.247 437 G HA3 0.835 4.796 3.960 0.002 0.000 0.247 437 G C -1.239 173.556 174.900 -0.176 0.000 1.187 437 G CA -0.596 44.376 45.100 -0.215 0.000 0.837 437 G HN 0.698 nan 8.290 nan 0.000 0.559 438 R N -1.245 119.204 120.500 -0.084 0.000 2.979 438 R HA 0.429 4.770 4.340 0.002 0.000 0.286 438 R C -2.078 174.234 176.300 0.019 0.000 0.972 438 R CA -0.744 55.328 56.100 -0.046 0.000 0.828 438 R CB 0.479 30.774 30.300 -0.009 0.000 1.368 438 R HN 0.552 nan 8.270 nan 0.000 0.511 439 D N -0.878 119.530 120.400 0.013 0.000 2.387 439 D HA 0.247 4.889 4.640 0.002 0.000 0.251 439 D C 0.375 176.761 176.300 0.144 0.000 1.141 439 D CA -0.448 53.594 54.000 0.070 0.000 0.987 439 D CB 0.766 41.581 40.800 0.025 0.000 1.116 439 D HN 0.610 nan 8.370 nan 0.000 0.491 440 H N 0.007 119.041 119.070 -0.060 0.000 2.547 440 H HA 0.091 4.648 4.556 0.002 0.000 0.272 440 H C 0.378 175.642 175.328 -0.106 0.000 0.989 440 H CA -0.263 55.739 56.048 -0.077 0.000 1.214 440 H CB 0.437 30.168 29.762 -0.052 0.000 1.389 440 H HN 0.128 nan 8.280 nan 0.000 0.577 441 L N 2.158 123.399 121.223 0.029 0.000 2.315 441 L HA 0.165 4.506 4.340 0.002 0.000 0.283 441 L C -0.801 176.031 176.870 -0.063 0.000 1.089 441 L CA -0.037 54.810 54.840 0.011 0.000 0.833 441 L CB 0.419 42.551 42.059 0.122 0.000 1.170 441 L HN 0.069 nan 8.230 nan 0.000 0.442 442 D N 1.619 121.869 120.400 -0.250 0.000 2.692 442 D HA 0.149 4.790 4.640 0.002 0.000 0.290 442 D C 0.723 176.499 176.300 -0.873 0.000 1.281 442 D CA -0.030 53.724 54.000 -0.410 0.000 0.804 442 D CB 1.176 41.840 40.800 -0.226 0.000 1.331 442 D HN 0.604 nan 8.370 nan 0.000 0.432 443 C N -0.194 118.639 119.300 -0.779 0.000 2.413 443 C HA 0.325 4.786 4.460 0.002 0.000 0.277 443 C C 1.641 176.437 174.990 -0.325 0.000 1.265 443 C CA 0.934 59.528 59.018 -0.707 0.000 1.752 443 C CB -1.230 26.377 27.740 -0.221 0.000 1.998 443 C HN 0.563 nan 8.230 nan 0.000 0.489 444 G N -0.158 108.517 108.800 -0.208 0.000 4.552 444 G HA2 0.410 4.371 3.960 0.002 0.000 0.281 444 G HA3 0.410 4.371 3.960 0.002 0.000 0.281 444 G C 0.642 175.517 174.900 -0.042 0.000 1.037 444 G CA 0.722 45.765 45.100 -0.095 0.000 0.806 444 G HN 0.720 nan 8.290 nan 0.000 0.495 445 S N -1.331 114.316 115.700 -0.088 0.000 2.701 445 S HA 0.514 4.985 4.470 0.002 0.000 0.242 445 S C -0.032 174.581 174.600 0.023 0.000 1.025 445 S CA -0.240 57.942 58.200 -0.029 0.000 1.016 445 S CB 1.088 64.239 63.200 -0.082 0.000 0.977 445 S HN 0.662 nan 8.310 nan 0.000 0.546 446 V N 0.409 120.329 119.914 0.011 0.000 3.012 446 V HA 0.852 4.973 4.120 0.002 0.000 0.307 446 V C -1.768 174.369 176.094 0.072 0.000 1.166 446 V CA -0.440 61.906 62.300 0.077 0.000 0.974 446 V CB 1.843 33.695 31.823 0.048 0.000 1.040 446 V HN 0.515 nan 8.190 nan 0.000 0.428 447 A N 3.670 126.567 122.820 0.128 0.000 2.311 447 A HA 0.880 5.201 4.320 0.002 0.000 0.306 447 A C -0.356 177.308 177.584 0.133 0.000 1.189 447 A CA 0.026 52.136 52.037 0.121 0.000 0.791 447 A CB 1.542 20.634 19.000 0.154 0.000 1.172 447 A HN 1.531 nan 8.150 nan 0.000 0.481 448 S N 3.929 119.695 115.700 0.110 0.000 2.357 448 S HA 0.459 4.930 4.470 0.002 0.000 0.209 448 S C -2.524 172.149 174.600 0.121 0.000 0.981 448 S CA -0.658 57.624 58.200 0.136 0.000 1.106 448 S CB 0.932 64.209 63.200 0.127 0.000 1.266 448 S HN 0.299 nan 8.310 nan 0.000 0.410 449 P HA -0.052 nan 4.420 nan 0.000 0.218 449 P C 0.667 178.040 177.300 0.122 0.000 1.146 449 P CA 1.113 64.275 63.100 0.105 0.000 0.813 449 P CB 0.103 31.862 31.700 0.098 0.000 0.778 450 N N -1.953 116.856 118.700 0.182 0.000 2.270 450 N HA 0.108 4.849 4.740 0.002 0.000 0.198 450 N C 1.044 176.648 175.510 0.158 0.000 1.117 450 N CA 0.197 53.368 53.050 0.203 0.000 0.845 450 N CB 0.416 39.045 38.487 0.236 0.000 0.980 450 N HN 0.152 nan 8.380 nan 0.000 0.486 451 R N -0.094 120.472 120.500 0.109 0.000 2.899 451 R HA 0.170 4.511 4.340 0.002 0.000 0.095 451 R C 0.499 176.781 176.300 -0.030 0.000 0.792 451 R CA -0.183 55.947 56.100 0.051 0.000 0.613 451 R CB 0.056 30.419 30.300 0.104 0.000 0.531 451 R HN -0.225 nan 8.270 nan 0.000 0.341 452 E N 0.425 120.627 120.200 0.003 0.000 2.147 452 E HA -0.158 4.193 4.350 0.002 0.000 0.199 452 E C 0.721 177.350 176.600 0.048 0.000 1.005 452 E CA 2.216 58.641 56.400 0.041 0.000 0.810 452 E CB -0.047 29.682 29.700 0.049 0.000 0.736 452 E HN 0.545 nan 8.360 nan 0.000 0.460 453 T N -1.967 112.608 114.554 0.033 0.000 3.269 453 T HA 0.190 4.541 4.350 0.002 0.000 0.269 453 T C 0.033 174.753 174.700 0.033 0.000 0.993 453 T CA -0.512 61.601 62.100 0.022 0.000 0.909 453 T CB 0.019 68.889 68.868 0.004 0.000 1.115 453 T HN 0.004 nan 8.240 nan 0.000 0.543 454 E N 1.654 121.873 120.200 0.032 0.000 2.290 454 E HA 0.428 4.779 4.350 0.002 0.000 0.277 454 E C 0.472 177.092 176.600 0.033 0.000 1.035 454 E CA 0.095 56.516 56.400 0.036 0.000 0.873 454 E CB 0.241 29.966 29.700 0.042 0.000 1.029 454 E HN 0.579 nan 8.360 nan 0.000 0.419 455 A N 5.184 128.022 122.820 0.029 0.000 2.734 455 A HA -0.166 4.155 4.320 0.002 0.000 0.296 455 A C 0.175 177.802 177.584 0.071 0.000 1.474 455 A CA 0.528 52.585 52.037 0.034 0.000 0.735 455 A CB -1.427 17.591 19.000 0.030 0.000 1.062 455 A HN 0.582 nan 8.150 nan 0.000 0.463 456 M N 0.074 119.718 119.600 0.073 0.000 2.249 456 M HA 0.080 4.561 4.480 0.002 0.000 0.340 456 M C 1.695 178.040 176.300 0.075 0.000 1.166 456 M CA 0.889 56.268 55.300 0.131 0.000 1.115 456 M CB 0.306 32.947 32.600 0.068 0.000 1.606 456 M HN 0.642 nan 8.290 nan 0.000 0.448 457 K N 1.208 121.634 120.400 0.042 0.000 2.211 457 K HA -0.182 4.139 4.320 0.002 0.000 0.204 457 K C 0.632 177.169 176.600 -0.104 0.000 1.047 457 K CA 1.895 58.114 56.287 -0.114 0.000 0.935 457 K CB -0.210 32.069 32.500 -0.370 0.000 0.728 457 K HN 0.644 nan 8.250 nan 0.000 0.452 458 D N -0.601 119.749 120.400 -0.085 0.000 2.349 458 D HA 0.099 4.740 4.640 0.002 0.000 0.214 458 D C 1.017 177.303 176.300 -0.022 0.000 1.063 458 D CA 0.370 54.336 54.000 -0.057 0.000 0.847 458 D CB 0.240 41.008 40.800 -0.054 0.000 0.933 458 D HN 0.367 nan 8.370 nan 0.000 0.513 459 G N 0.783 109.576 108.800 -0.011 0.000 2.147 459 G HA2 -0.309 3.652 3.960 0.002 0.000 0.244 459 G HA3 -0.309 3.652 3.960 0.002 0.000 0.244 459 G C 0.751 175.657 174.900 0.011 0.000 1.005 459 G CA 0.604 45.703 45.100 -0.001 0.000 0.713 459 G HN 0.691 nan 8.290 nan 0.000 0.515 460 S N -0.444 115.268 115.700 0.019 0.000 2.743 460 S HA 0.243 4.714 4.470 0.002 0.000 0.230 460 S C 1.412 176.039 174.600 0.044 0.000 0.950 460 S CA 0.748 58.974 58.200 0.044 0.000 0.976 460 S CB 0.279 63.517 63.200 0.064 0.000 0.779 460 S HN 0.273 nan 8.310 nan 0.000 0.487 461 D N 3.530 123.947 120.400 0.028 0.000 2.192 461 D HA -0.185 4.456 4.640 0.002 0.000 0.189 461 D C 1.908 178.238 176.300 0.050 0.000 1.007 461 D CA 2.084 56.103 54.000 0.032 0.000 0.859 461 D CB -0.542 40.273 40.800 0.025 0.000 0.936 461 D HN 0.666 nan 8.370 nan 0.000 0.447 462 A N 0.148 122.997 122.820 0.049 0.000 2.208 462 A HA 0.148 4.469 4.320 0.002 0.000 0.209 462 A C 0.787 178.417 177.584 0.077 0.000 1.161 462 A CA -0.111 51.958 52.037 0.054 0.000 0.782 462 A CB 0.119 19.135 19.000 0.026 0.000 0.816 462 A HN 0.077 nan 8.150 nan 0.000 0.477 463 V N 0.699 120.676 119.914 0.105 0.000 2.493 463 V HA 0.252 4.373 4.120 0.002 0.000 0.292 463 V C 1.499 177.704 176.094 0.185 0.000 1.016 463 V CA 0.932 63.317 62.300 0.142 0.000 1.097 463 V CB 0.866 32.822 31.823 0.222 0.000 0.947 463 V HN 0.404 nan 8.190 nan 0.000 0.479 464 G N 2.398 111.277 108.800 0.131 0.000 3.393 464 G HA2 0.035 3.996 3.960 0.002 0.000 0.255 464 G HA3 0.035 3.996 3.960 0.002 0.000 0.255 464 G C 0.729 175.703 174.900 0.123 0.000 1.097 464 G CA -0.143 45.051 45.100 0.157 0.000 0.780 464 G HN 0.699 nan 8.290 nan 0.000 0.540 465 D N 1.182 121.592 120.400 0.016 0.000 2.117 465 D HA -0.128 4.513 4.640 0.002 0.000 0.197 465 D C 1.851 178.073 176.300 -0.131 0.000 0.987 465 D CA 0.786 54.695 54.000 -0.152 0.000 0.829 465 D CB -0.146 40.431 40.800 -0.372 0.000 0.961 465 D HN 0.543 nan 8.370 nan 0.000 0.460 466 W N 1.999 123.303 121.300 0.008 0.000 2.338 466 W HA -0.087 4.575 4.660 0.003 0.000 0.304 466 W C 2.713 179.250 176.519 0.029 0.000 1.212 466 W CA 1.014 58.361 57.345 0.002 0.000 1.264 466 W CB -0.753 28.694 29.460 -0.022 0.000 1.142 466 W HN -0.056 nan 8.180 nan 0.000 0.512 467 A N 0.272 123.265 122.820 0.288 0.000 1.902 467 A HA -0.165 4.156 4.320 0.002 0.000 0.217 467 A C 2.049 179.801 177.584 0.281 0.000 1.181 467 A CA 2.330 54.524 52.037 0.263 0.000 0.623 467 A CB -1.124 18.051 19.000 0.292 0.000 0.818 467 A HN 0.118 nan 8.150 nan 0.000 0.443 468 V N 0.061 120.094 119.914 0.199 0.000 2.343 468 V HA -0.249 3.872 4.120 0.002 0.000 0.247 468 V C 2.545 178.626 176.094 -0.021 0.000 1.051 468 V CA 1.870 64.163 62.300 -0.012 0.000 1.036 468 V CB -0.832 30.892 31.823 -0.163 0.000 0.654 468 V HN 0.560 nan 8.190 nan 0.000 0.451 469 L N 0.455 121.671 121.223 -0.010 0.000 2.083 469 L HA -0.207 4.134 4.340 0.002 0.000 0.209 469 L C 2.618 179.509 176.870 0.034 0.000 1.083 469 L CA 1.815 56.645 54.840 -0.017 0.000 0.752 469 L CB -0.801 41.233 42.059 -0.041 0.000 0.899 469 L HN 0.482 nan 8.230 nan 0.000 0.433 470 N N 0.601 119.350 118.700 0.081 0.000 2.036 470 N HA -0.238 4.503 4.740 0.002 0.000 0.195 470 N C 1.828 177.365 175.510 0.045 0.000 1.037 470 N CA 1.936 55.028 53.050 0.070 0.000 0.855 470 N CB 0.070 38.601 38.487 0.073 0.000 1.033 470 N HN 0.332 nan 8.380 nan 0.000 0.423 471 A N 1.328 124.185 122.820 0.061 0.000 1.877 471 A HA -0.098 4.223 4.320 0.002 0.000 0.216 471 A C 2.257 179.852 177.584 0.018 0.000 1.186 471 A CA 0.946 53.014 52.037 0.051 0.000 0.620 471 A CB -0.603 18.462 19.000 0.109 0.000 0.822 471 A HN 0.285 nan 8.150 nan 0.000 0.443 472 L N -0.068 121.150 121.223 -0.008 0.000 1.994 472 L HA -0.149 4.192 4.340 0.002 0.000 0.208 472 L C 2.749 179.619 176.870 -0.001 0.000 1.071 472 L CA 1.848 56.676 54.840 -0.020 0.000 0.745 472 L CB -1.432 40.599 42.059 -0.047 0.000 0.892 472 L HN 0.288 nan 8.230 nan 0.000 0.431 473 V N -0.118 119.800 119.914 0.007 0.000 2.295 473 V HA -0.256 3.865 4.120 0.002 0.000 0.246 473 V C 2.286 178.393 176.094 0.022 0.000 1.049 473 V CA 1.690 64.000 62.300 0.016 0.000 1.024 473 V CB -0.912 30.928 31.823 0.029 0.000 0.648 473 V HN 0.427 nan 8.190 nan 0.000 0.447 474 N N 0.370 119.084 118.700 0.023 0.000 2.223 474 N HA -0.132 4.609 4.740 0.002 0.000 0.185 474 N C 1.914 177.441 175.510 0.028 0.000 1.016 474 N CA 1.922 54.985 53.050 0.022 0.000 0.863 474 N CB -0.621 37.873 38.487 0.010 0.000 0.983 474 N HN 0.511 nan 8.380 nan 0.000 0.429 475 T N 0.813 115.385 114.554 0.031 0.000 2.777 475 T HA -0.010 4.341 4.350 0.002 0.000 0.266 475 T C 1.974 176.699 174.700 0.042 0.000 1.040 475 T CA 1.270 63.397 62.100 0.044 0.000 1.141 475 T CB -0.249 68.643 68.868 0.040 0.000 0.868 475 T HN 0.335 nan 8.240 nan 0.000 0.444 476 A N 1.386 124.222 122.820 0.028 0.000 1.898 476 A HA 0.212 4.533 4.320 0.002 0.000 0.216 476 A C 2.613 180.210 177.584 0.022 0.000 1.181 476 A CA 1.698 53.748 52.037 0.022 0.000 0.620 476 A CB -1.015 17.991 19.000 0.010 0.000 0.819 476 A HN 0.491 nan 8.150 nan 0.000 0.442 477 A N -1.674 121.161 122.820 0.024 0.000 1.972 477 A HA 0.329 4.650 4.320 0.002 0.000 0.219 477 A C 1.806 179.407 177.584 0.027 0.000 1.169 477 A CA 1.788 53.839 52.037 0.024 0.000 0.635 477 A CB -0.801 18.214 19.000 0.025 0.000 0.810 477 A HN 1.969 nan 8.150 nan 0.000 0.446 478 G N -2.430 106.392 108.800 0.037 0.000 2.186 478 G HA2 0.304 4.265 3.960 0.002 0.000 0.130 478 G HA3 0.304 4.265 3.960 0.002 0.000 0.130 478 G C 0.227 175.157 174.900 0.050 0.000 1.031 478 G CA 0.107 45.235 45.100 0.048 0.000 0.697 478 G HN 1.363 nan 8.290 nan 0.000 0.494 479 A N -0.091 122.755 122.820 0.043 0.000 2.366 479 A HA 0.760 5.081 4.320 0.002 0.000 0.250 479 A C 1.694 179.321 177.584 0.072 0.000 1.099 479 A CA 1.117 53.170 52.037 0.026 0.000 0.794 479 A CB 0.377 19.376 19.000 -0.001 0.000 1.056 479 A HN 0.951 nan 8.150 nan 0.000 0.499 480 S N -1.140 114.597 115.700 0.063 0.000 2.406 480 S HA 0.100 4.571 4.470 0.002 0.000 0.224 480 S C -0.156 174.684 174.600 0.401 0.000 1.030 480 S CA 1.407 59.732 58.200 0.209 0.000 0.958 480 S CB -0.204 63.128 63.200 0.220 0.000 0.811 480 S HN 0.891 nan 8.310 nan 0.000 0.489 481 W N 0.006 121.360 121.300 0.090 0.000 3.405 481 W HA 0.715 5.376 4.660 0.003 0.000 0.329 481 W C -2.008 174.540 176.519 0.048 0.000 1.142 481 W CA -1.028 56.367 57.345 0.083 0.000 1.235 481 W CB 0.386 29.917 29.460 0.119 0.000 1.341 481 W HN -0.326 nan 8.180 nan 0.000 0.481 482 V N 4.337 124.396 119.914 0.243 0.000 2.483 482 V HA 0.779 4.900 4.120 0.002 0.000 0.295 482 V C 0.013 176.191 176.094 0.141 0.000 1.035 482 V CA -0.478 61.896 62.300 0.123 0.000 0.896 482 V CB 1.622 33.496 31.823 0.085 0.000 0.986 482 V HN 0.702 nan 8.190 nan 0.000 0.447 483 S N 3.756 119.502 115.700 0.076 0.000 2.570 483 S HA 0.824 5.295 4.470 0.002 0.000 0.286 483 S C -1.209 173.435 174.600 0.074 0.000 1.099 483 S CA -0.647 57.611 58.200 0.097 0.000 0.913 483 S CB 2.146 65.388 63.200 0.068 0.000 1.085 483 S HN 0.626 nan 8.310 nan 0.000 0.480 484 F N 1.946 121.937 119.950 0.068 0.000 2.579 484 F HA 0.554 5.082 4.527 0.002 0.000 0.325 484 F C -0.594 175.345 175.800 0.232 0.000 1.162 484 F CA -0.220 57.804 58.000 0.041 0.000 0.946 484 F CB 1.219 40.230 39.000 0.018 0.000 1.211 484 F HN 0.879 nan 8.300 nan 0.000 0.447 485 H N 3.501 122.127 119.070 -0.740 0.000 2.754 485 H HA 0.395 4.952 4.556 0.002 0.000 0.352 485 H C -1.227 173.568 175.328 -0.888 0.000 1.213 485 H CA -1.171 54.517 56.048 -0.600 0.000 1.244 485 H CB 2.395 31.952 29.762 -0.342 0.000 1.843 485 H HN 0.600 nan 8.280 nan 0.000 0.587 486 H N -0.724 118.138 119.070 -0.347 0.000 2.679 486 H HA 0.292 4.849 4.556 0.002 0.000 0.360 486 H C 0.434 175.779 175.328 0.028 0.000 1.105 486 H CA 0.173 56.099 56.048 -0.203 0.000 1.196 486 H CB 1.622 31.343 29.762 -0.067 0.000 1.636 486 H HN 1.014 nan 8.280 nan 0.000 0.531 487 G N 3.038 111.641 108.800 -0.329 0.000 2.179 487 G HA2 -0.265 3.696 3.960 0.002 0.000 0.260 487 G HA3 -0.265 3.696 3.960 0.002 0.000 0.260 487 G C 0.670 175.703 174.900 0.222 0.000 0.977 487 G CA 0.151 45.114 45.100 -0.228 0.000 0.641 487 G HN 0.999 nan 8.290 nan 0.000 0.533 488 G N -0.821 108.242 108.800 0.438 0.000 2.353 488 G HA2 0.479 4.440 3.960 0.002 0.000 0.239 488 G HA3 0.479 4.440 3.960 0.002 0.000 0.239 488 G C 1.625 176.517 174.900 -0.013 0.000 1.295 488 G CA 1.660 46.830 45.100 0.117 0.000 0.884 488 G HN 1.875 nan 8.290 nan 0.000 0.537 489 G N 0.509 109.283 108.800 -0.043 0.000 3.548 489 G HA2 -0.310 3.651 3.960 0.002 0.000 0.224 489 G HA3 -0.310 3.651 3.960 0.002 0.000 0.224 489 G C 1.371 176.292 174.900 0.035 0.000 1.351 489 G CA 1.383 46.458 45.100 -0.041 0.000 0.905 489 G HN 2.035 nan 8.290 nan 0.000 0.561 490 V N -0.845 119.147 119.914 0.130 0.000 3.578 490 V HA 0.646 4.768 4.120 0.002 0.000 0.290 490 V C 1.383 177.634 176.094 0.262 0.000 1.376 490 V CA 0.707 63.115 62.300 0.181 0.000 1.083 490 V CB -0.380 31.534 31.823 0.153 0.000 0.911 490 V HN 2.514 nan 8.190 nan 0.000 0.433 491 G N 0.541 109.529 108.800 0.314 0.000 2.756 491 G HA2 -0.118 3.843 3.960 0.002 0.000 0.678 491 G HA3 -0.118 3.843 3.960 0.002 0.000 0.678 491 G C -0.508 174.288 174.900 -0.173 0.000 1.349 491 G CA -0.465 44.787 45.100 0.254 0.000 0.847 491 G HN 0.269 nan 8.290 nan 0.000 0.548 492 M N 1.139 120.200 119.600 -0.897 0.000 2.255 492 M HA 0.278 4.759 4.480 0.002 0.000 0.356 492 M C 1.899 178.087 176.300 -0.186 0.000 1.338 492 M CA 1.949 56.750 55.300 -0.832 0.000 0.962 492 M CB -0.829 31.028 32.600 -1.239 0.000 1.877 492 M HN 2.580 nan 8.290 nan 0.000 0.463 493 G N 3.248 112.121 108.800 0.122 0.000 2.234 493 G HA2 -0.322 3.639 3.960 0.002 0.000 0.260 493 G HA3 -0.322 3.639 3.960 0.002 0.000 0.260 493 G C 0.527 175.326 174.900 -0.167 0.000 0.987 493 G CA 0.368 45.496 45.100 0.047 0.000 0.625 493 G HN 0.707 nan 8.290 nan 0.000 0.532 494 Y N 1.648 121.990 120.300 0.069 0.000 2.458 494 Y HA 0.491 5.043 4.550 0.002 0.000 0.256 494 Y C 1.471 177.440 175.900 0.115 0.000 1.159 494 Y CA 0.689 58.843 58.100 0.089 0.000 1.261 494 Y CB 0.779 39.293 38.460 0.090 0.000 1.119 494 Y HN 0.676 nan 8.280 nan 0.000 0.524 495 S N -0.655 115.187 115.700 0.237 0.000 2.565 495 S HA 0.753 5.224 4.470 0.002 0.000 0.269 495 S C -1.513 173.245 174.600 0.262 0.000 1.153 495 S CA -0.892 57.460 58.200 0.253 0.000 0.835 495 S CB 1.592 64.959 63.200 0.278 0.000 1.122 495 S HN 0.037 nan 8.310 nan 0.000 0.462 496 L N 2.323 123.680 121.223 0.222 0.000 2.464 496 L HA 0.723 5.064 4.340 0.002 0.000 0.266 496 L C -1.086 175.783 176.870 -0.002 0.000 0.965 496 L CA -0.601 54.242 54.840 0.004 0.000 0.833 496 L CB 2.181 44.330 42.059 0.150 0.000 1.296 496 L HN 1.145 nan 8.230 nan 0.000 0.405 497 H N 1.311 120.205 119.070 -0.294 0.000 2.981 497 H HA 0.909 5.466 4.556 0.002 0.000 0.327 497 H C -1.343 173.788 175.328 -0.328 0.000 1.342 497 H CA -0.908 55.033 56.048 -0.178 0.000 1.123 497 H CB 1.700 31.447 29.762 -0.024 0.000 1.851 497 H HN 0.645 nan 8.280 nan 0.000 0.531 498 A N 0.478 123.196 122.820 -0.169 0.000 2.454 498 A HA 0.842 5.163 4.320 0.002 0.000 0.302 498 A C -0.227 176.846 177.584 -0.852 0.000 1.079 498 A CA -0.399 51.413 52.037 -0.374 0.000 0.731 498 A CB 1.543 20.530 19.000 -0.021 0.000 1.299 498 A HN 1.179 nan 8.150 nan 0.000 0.413 499 G N -0.519 107.671 108.800 -1.017 0.000 2.568 499 G HA2 0.762 4.723 3.960 0.002 0.000 0.313 499 G HA3 0.762 4.723 3.960 0.002 0.000 0.313 499 G C -0.807 173.936 174.900 -0.262 0.000 1.227 499 G CA -0.265 44.379 45.100 -0.759 0.000 0.979 499 G HN 1.797 nan 8.290 nan 0.000 0.486 500 M N 0.277 119.771 119.600 -0.175 0.000 2.274 500 M HA 0.644 5.126 4.480 0.002 0.000 0.272 500 M C -2.003 174.143 176.300 -0.256 0.000 1.053 500 M CA -0.639 54.563 55.300 -0.164 0.000 0.978 500 M CB 1.731 34.272 32.600 -0.098 0.000 1.836 500 M HN 0.414 nan 8.290 nan 0.000 0.484 501 V N 3.132 122.763 119.914 -0.472 0.000 2.680 501 V HA 1.057 5.178 4.120 0.002 0.000 0.309 501 V C -0.353 175.428 176.094 -0.521 0.000 1.052 501 V CA -0.243 61.634 62.300 -0.706 0.000 0.908 501 V CB 1.662 32.498 31.823 -1.646 0.000 1.001 501 V HN 1.174 nan 8.190 nan 0.000 0.431 502 A N 3.321 125.936 122.820 -0.342 0.000 2.449 502 A HA 0.881 5.203 4.320 0.002 0.000 0.302 502 A C -1.173 176.342 177.584 -0.116 0.000 1.048 502 A CA -0.577 51.364 52.037 -0.159 0.000 0.708 502 A CB 1.971 20.930 19.000 -0.068 0.000 1.274 502 A HN 0.654 nan 8.150 nan 0.000 0.410 503 V N 1.499 121.402 119.914 -0.018 0.000 2.394 503 V HA 0.606 4.727 4.120 0.002 0.000 0.282 503 V C 0.596 176.695 176.094 0.007 0.000 1.031 503 V CA -0.146 62.170 62.300 0.028 0.000 0.881 503 V CB 1.397 33.304 31.823 0.140 0.000 0.982 503 V HN 1.197 nan 8.190 nan 0.000 0.451 504 A N 3.399 126.201 122.820 -0.031 0.000 2.478 504 A HA 0.538 4.859 4.320 0.002 0.000 0.327 504 A C 0.490 178.014 177.584 -0.101 0.000 1.431 504 A CA -0.475 51.526 52.037 -0.060 0.000 1.014 504 A CB -0.117 18.832 19.000 -0.085 0.000 1.143 504 A HN 0.906 nan 8.150 nan 0.000 0.532 505 D N 1.559 121.909 120.400 -0.083 0.000 2.402 505 D HA 0.250 4.891 4.640 0.002 0.000 0.216 505 D C 1.053 177.276 176.300 -0.130 0.000 1.128 505 D CA 0.482 54.387 54.000 -0.157 0.000 0.833 505 D CB -0.105 40.654 40.800 -0.067 0.000 0.971 505 D HN 1.018 nan 8.370 nan 0.000 0.503 506 G N 0.582 109.328 108.800 -0.090 0.000 2.179 506 G HA2 -0.310 3.651 3.960 0.002 0.000 0.260 506 G HA3 -0.310 3.651 3.960 0.002 0.000 0.260 506 G C 0.473 175.355 174.900 -0.030 0.000 0.977 506 G CA 0.542 45.602 45.100 -0.067 0.000 0.641 506 G HN 0.857 nan 8.290 nan 0.000 0.533 507 S N -0.511 115.182 115.700 -0.010 0.000 2.614 507 S HA 0.530 5.001 4.470 0.002 0.000 0.265 507 S C 1.011 175.616 174.600 0.008 0.000 1.303 507 S CA 0.576 58.783 58.200 0.012 0.000 1.000 507 S CB 1.759 64.981 63.200 0.036 0.000 0.935 507 S HN 0.342 nan 8.310 nan 0.000 0.551 508 E N 0.130 120.338 120.200 0.013 0.000 2.208 508 E HA -0.026 4.325 4.350 0.002 0.000 0.193 508 E C 1.728 178.337 176.600 0.015 0.000 0.988 508 E CA 0.486 56.892 56.400 0.010 0.000 0.828 508 E CB -0.165 29.541 29.700 0.011 0.000 0.763 508 E HN 0.628 nan 8.360 nan 0.000 0.478 509 L N 0.444 121.681 121.223 0.025 0.000 2.017 509 L HA -0.192 4.149 4.340 0.002 0.000 0.208 509 L C 2.325 179.212 176.870 0.029 0.000 1.073 509 L CA 1.487 56.346 54.840 0.032 0.000 0.745 509 L CB -0.377 41.709 42.059 0.046 0.000 0.894 509 L HN 0.171 nan 8.230 nan 0.000 0.432 510 A N -0.573 122.262 122.820 0.026 0.000 1.933 510 A HA -0.244 4.077 4.320 0.002 0.000 0.218 510 A C 1.876 179.464 177.584 0.007 0.000 1.175 510 A CA 1.796 53.844 52.037 0.019 0.000 0.628 510 A CB -0.559 18.447 19.000 0.011 0.000 0.814 510 A HN 0.483 nan 8.150 nan 0.000 0.444 511 D N -0.647 119.754 120.400 0.001 0.000 2.104 511 D HA -0.176 4.466 4.640 0.002 0.000 0.194 511 D C 1.917 178.217 176.300 -0.000 0.000 0.994 511 D CA 1.809 55.806 54.000 -0.005 0.000 0.830 511 D CB -0.168 40.628 40.800 -0.007 0.000 0.959 511 D HN 0.640 nan 8.370 nan 0.000 0.452 512 E N 0.756 120.960 120.200 0.006 0.000 2.047 512 E HA -0.114 4.237 4.350 0.002 0.000 0.191 512 E C 2.177 178.783 176.600 0.010 0.000 0.987 512 E CA 0.937 57.341 56.400 0.007 0.000 0.799 512 E CB 0.148 29.854 29.700 0.010 0.000 0.752 512 E HN 0.131 nan 8.360 nan 0.000 0.449 513 R N -0.076 120.433 120.500 0.016 0.000 2.070 513 R HA -0.077 4.264 4.340 0.002 0.000 0.233 513 R C 2.600 178.908 176.300 0.014 0.000 1.137 513 R CA 1.528 57.640 56.100 0.020 0.000 0.945 513 R CB -0.556 29.762 30.300 0.032 0.000 0.845 513 R HN 0.223 nan 8.270 nan 0.000 0.430 514 L N 0.434 121.663 121.223 0.011 0.000 2.043 514 L HA -0.227 4.114 4.340 0.002 0.000 0.212 514 L C 2.729 179.600 176.870 0.003 0.000 1.075 514 L CA 1.377 56.222 54.840 0.009 0.000 0.752 514 L CB -0.674 41.387 42.059 0.004 0.000 0.891 514 L HN 0.304 nan 8.230 nan 0.000 0.432 515 A N -0.069 122.749 122.820 -0.003 0.000 1.902 515 A HA -0.186 4.136 4.320 0.002 0.000 0.217 515 A C 2.402 179.980 177.584 -0.010 0.000 1.181 515 A CA 1.378 53.407 52.037 -0.013 0.000 0.623 515 A CB -0.360 18.634 19.000 -0.009 0.000 0.818 515 A HN 0.295 nan 8.150 nan 0.000 0.443 516 R N -0.894 119.608 120.500 0.002 0.000 2.062 516 R HA -0.040 4.301 4.340 0.002 0.000 0.231 516 R C 2.116 178.424 176.300 0.014 0.000 1.136 516 R CA 1.408 57.514 56.100 0.011 0.000 0.948 516 R CB -1.481 28.827 30.300 0.014 0.000 0.845 516 R HN 0.400 nan 8.270 nan 0.000 0.430 517 V N 1.730 121.653 119.914 0.014 0.000 2.548 517 V HA -0.056 4.065 4.120 0.002 0.000 0.249 517 V C 2.061 178.165 176.094 0.015 0.000 1.055 517 V CA 1.110 63.420 62.300 0.018 0.000 1.065 517 V CB -0.187 31.645 31.823 0.016 0.000 0.681 517 V HN 0.201 nan 8.190 nan 0.000 0.462 518 L N -0.403 120.822 121.223 0.004 0.000 2.610 518 L HA -0.017 4.324 4.340 0.002 0.000 0.232 518 L C 2.064 178.878 176.870 -0.093 0.000 1.149 518 L CA 1.039 55.871 54.840 -0.014 0.000 0.872 518 L CB -0.524 41.536 42.059 0.001 0.000 0.992 518 L HN 0.365 nan 8.230 nan 0.000 0.447 519 T N -1.664 112.853 114.554 -0.060 0.000 3.044 519 T HA -0.066 4.285 4.350 0.002 0.000 0.237 519 T C 2.076 176.836 174.700 0.100 0.000 1.001 519 T CA 1.095 63.155 62.100 -0.066 0.000 1.160 519 T CB 0.146 69.007 68.868 -0.011 0.000 0.889 519 T HN 0.430 nan 8.240 nan 0.000 0.442 520 S N 1.974 117.722 115.700 0.079 0.000 2.383 520 S HA -0.165 4.307 4.470 0.002 0.000 0.227 520 S C 1.795 176.450 174.600 0.091 0.000 1.026 520 S CA 1.467 59.725 58.200 0.096 0.000 0.981 520 S CB -0.617 62.620 63.200 0.063 0.000 0.818 520 S HN 0.345 nan 8.310 nan 0.000 0.472 521 D N 3.032 123.468 120.400 0.059 0.000 2.087 521 D HA -0.047 4.594 4.640 0.002 0.000 0.192 521 D C -0.353 175.980 176.300 0.054 0.000 0.993 521 D CA 1.731 55.757 54.000 0.043 0.000 0.828 521 D CB -0.901 39.916 40.800 0.028 0.000 0.968 521 D HN 0.403 nan 8.370 nan 0.000 0.448 522 P HA 0.036 nan 4.420 nan 0.000 0.221 522 P C 1.653 179.074 177.300 0.201 0.000 1.155 522 P CA 1.435 64.597 63.100 0.103 0.000 0.812 522 P CB -0.238 31.509 31.700 0.078 0.000 0.801 523 G N 0.620 109.610 108.800 0.317 0.000 2.469 523 G HA2 -0.277 3.684 3.960 0.002 0.000 0.220 523 G HA3 -0.277 3.684 3.960 0.002 0.000 0.220 523 G C 1.607 176.556 174.900 0.081 0.000 1.136 523 G CA 0.693 45.920 45.100 0.212 0.000 0.759 523 G HN 0.160 nan 8.290 nan 0.000 0.562 524 M N 1.121 120.783 119.600 0.103 0.000 2.159 524 M HA -0.038 4.443 4.480 0.002 0.000 0.263 524 M C 2.672 179.007 176.300 0.058 0.000 1.063 524 M CA 1.725 57.091 55.300 0.110 0.000 1.110 524 M CB -0.785 31.886 32.600 0.118 0.000 1.374 524 M HN 0.282 nan 8.290 nan 0.000 0.411 525 G N 0.919 109.736 108.800 0.028 0.000 2.418 525 G HA2 -0.203 3.758 3.960 0.002 0.000 0.217 525 G HA3 -0.203 3.758 3.960 0.002 0.000 0.217 525 G C 1.384 176.317 174.900 0.055 0.000 1.158 525 G CA 0.597 45.704 45.100 0.011 0.000 0.771 525 G HN 0.385 nan 8.290 nan 0.000 0.545 526 I N 2.156 122.726 120.570 -0.001 0.000 2.142 526 I HA -0.140 4.031 4.170 0.002 0.000 0.240 526 I C 2.934 179.033 176.117 -0.030 0.000 1.078 526 I CA 1.096 62.372 61.300 -0.040 0.000 1.343 526 I CB -1.215 36.687 38.000 -0.163 0.000 1.046 526 I HN 0.406 nan 8.210 nan 0.000 0.405 527 I N -1.337 119.215 120.570 -0.030 0.000 2.493 527 I HA -0.194 3.977 4.170 0.002 0.000 0.254 527 I C 2.689 178.706 176.117 -0.166 0.000 1.160 527 I CA 1.274 62.571 61.300 -0.005 0.000 1.445 527 I CB -0.551 37.517 38.000 0.114 0.000 1.086 527 I HN 0.118 nan 8.210 nan 0.000 0.433 528 R N 1.017 121.291 120.500 -0.377 0.000 2.092 528 R HA -0.155 4.186 4.340 0.002 0.000 0.231 528 R C 2.020 177.873 176.300 -0.746 0.000 1.119 528 R CA 1.890 57.329 56.100 -1.101 0.000 0.970 528 R CB -0.500 29.171 30.300 -1.048 0.000 0.864 528 R HN 0.526 nan 8.270 nan 0.000 0.440 529 H N -0.593 118.296 119.070 -0.302 0.000 2.482 529 H HA 0.160 4.718 4.556 0.003 0.000 0.286 529 H C 1.801 177.155 175.328 0.045 0.000 1.017 529 H CA 1.128 57.132 56.048 -0.073 0.000 1.322 529 H CB 0.142 29.847 29.762 -0.095 0.000 1.426 529 H HN 0.320 nan 8.280 nan 0.000 0.546 530 A N 0.538 123.394 122.820 0.059 0.000 1.898 530 A HA -0.203 4.118 4.320 0.002 0.000 0.216 530 A C 2.138 179.729 177.584 0.011 0.000 1.181 530 A CA 1.750 53.815 52.037 0.046 0.000 0.620 530 A CB -0.407 18.604 19.000 0.017 0.000 0.819 530 A HN 0.492 nan 8.150 nan 0.000 0.442 531 D N 0.211 120.589 120.400 -0.036 0.000 2.218 531 D HA -0.068 4.573 4.640 0.002 0.000 0.204 531 D C 1.854 178.140 176.300 -0.025 0.000 0.976 531 D CA 1.223 55.227 54.000 0.006 0.000 0.853 531 D CB -0.046 40.812 40.800 0.098 0.000 0.939 531 D HN 0.346 nan 8.370 nan 0.000 0.481 532 A N -0.275 122.502 122.820 -0.072 0.000 2.167 532 A HA 0.295 4.616 4.320 0.002 0.000 0.214 532 A C 1.756 179.248 177.584 -0.153 0.000 1.151 532 A CA 1.352 53.347 52.037 -0.069 0.000 0.735 532 A CB -0.180 18.828 19.000 0.013 0.000 0.802 532 A HN 0.431 nan 8.150 nan 0.000 0.467 533 G N -2.697 106.037 108.800 -0.110 0.000 2.134 533 G HA2 -0.231 3.730 3.960 0.002 0.000 0.209 533 G HA3 -0.231 3.730 3.960 0.002 0.000 0.209 533 G C -0.205 174.550 174.900 -0.243 0.000 0.993 533 G CA -0.046 44.952 45.100 -0.170 0.000 0.669 533 G HN 0.353 nan 8.290 nan 0.000 0.519 534 Y N 1.433 121.735 120.300 0.003 0.000 2.486 534 Y HA 0.367 4.917 4.550 0.001 0.000 0.348 534 Y C 1.687 177.587 175.900 0.000 0.000 1.000 534 Y CA -0.242 57.866 58.100 0.013 0.000 1.253 534 Y CB 0.866 39.355 38.460 0.049 0.000 1.140 534 Y HN 0.107 nan 8.280 nan 0.000 0.526 535 E N 2.134 122.381 120.200 0.079 0.000 2.085 535 E HA -0.248 4.103 4.350 0.002 0.000 0.194 535 E C 2.146 178.780 176.600 0.056 0.000 0.994 535 E CA 0.916 57.344 56.400 0.047 0.000 0.801 535 E CB 0.138 29.850 29.700 0.020 0.000 0.743 535 E HN 0.566 nan 8.360 nan 0.000 0.453 536 R N 0.959 121.504 120.500 0.075 0.000 2.105 536 R HA -0.086 4.256 4.340 0.002 0.000 0.239 536 R C 1.983 178.301 176.300 0.030 0.000 1.135 536 R CA 1.710 57.835 56.100 0.042 0.000 0.967 536 R CB -0.760 29.559 30.300 0.032 0.000 0.861 536 R HN 0.131 nan 8.270 nan 0.000 0.442 537 A N -0.539 122.315 122.820 0.058 0.000 1.930 537 A HA -0.035 4.286 4.320 0.002 0.000 0.217 537 A C 2.312 179.902 177.584 0.011 0.000 1.175 537 A CA 1.481 53.537 52.037 0.032 0.000 0.627 537 A CB -0.543 18.511 19.000 0.091 0.000 0.815 537 A HN 0.165 nan 8.150 nan 0.000 0.443 538 V N 0.269 120.200 119.914 0.027 0.000 2.343 538 V HA -0.290 3.832 4.120 0.002 0.000 0.247 538 V C 2.391 178.481 176.094 -0.005 0.000 1.051 538 V CA 2.357 64.661 62.300 0.008 0.000 1.036 538 V CB -0.923 30.907 31.823 0.012 0.000 0.654 538 V HN 0.647 nan 8.190 nan 0.000 0.451 539 E N -0.042 120.158 120.200 0.001 0.000 2.077 539 E HA -0.182 4.170 4.350 0.002 0.000 0.193 539 E C 2.228 178.819 176.600 -0.014 0.000 0.989 539 E CA 1.566 57.965 56.400 -0.003 0.000 0.800 539 E CB -0.274 29.428 29.700 0.004 0.000 0.746 539 E HN 0.461 nan 8.360 nan 0.000 0.452 540 V N 1.418 121.317 119.914 -0.025 0.000 2.343 540 V HA -0.284 3.837 4.120 0.002 0.000 0.247 540 V C 2.336 178.374 176.094 -0.094 0.000 1.051 540 V CA 1.783 64.055 62.300 -0.047 0.000 1.036 540 V CB -0.796 30.991 31.823 -0.059 0.000 0.654 540 V HN 0.332 nan 8.190 nan 0.000 0.451 541 A N -0.229 122.529 122.820 -0.103 0.000 1.908 541 A HA -0.242 4.079 4.320 0.002 0.000 0.218 541 A C 2.329 179.870 177.584 -0.071 0.000 1.181 541 A CA 1.963 53.926 52.037 -0.124 0.000 0.627 541 A CB -0.416 18.535 19.000 -0.082 0.000 0.818 541 A HN 0.534 nan 8.150 nan 0.000 0.445 542 K N -0.418 119.959 120.400 -0.038 0.000 2.057 542 K HA -0.137 4.184 4.320 0.002 0.000 0.206 542 K C 1.872 178.469 176.600 -0.006 0.000 1.050 542 K CA 1.569 57.846 56.287 -0.016 0.000 0.935 542 K CB -0.198 32.298 32.500 -0.007 0.000 0.715 542 K HN 0.657 nan 8.250 nan 0.000 0.439 543 E N 0.506 120.703 120.200 -0.005 0.000 2.208 543 E HA -0.160 4.191 4.350 0.002 0.000 0.193 543 E C 1.243 177.864 176.600 0.035 0.000 0.988 543 E CA 0.804 57.213 56.400 0.016 0.000 0.828 543 E CB 0.145 29.857 29.700 0.020 0.000 0.763 543 E HN 0.149 nan 8.360 nan 0.000 0.478 544 Q N 0.325 120.139 119.800 0.023 0.000 2.172 544 Q HA 0.034 4.376 4.340 0.002 0.000 0.217 544 Q C -1.123 174.922 176.000 0.075 0.000 0.832 544 Q CA -0.045 55.813 55.803 0.092 0.000 1.010 544 Q CB 0.655 29.502 28.738 0.181 0.000 1.133 544 Q HN 0.097 nan 8.270 nan 0.000 0.489 545 D N 0.116 120.531 120.400 0.024 0.000 2.697 545 D HA -0.227 4.414 4.640 0.002 0.000 0.238 545 D C -0.637 175.667 176.300 0.007 0.000 1.152 545 D CA 0.783 54.797 54.000 0.023 0.000 0.666 545 D CB -1.440 39.390 40.800 0.050 0.000 1.037 545 D HN 0.401 nan 8.370 nan 0.000 0.423 546 I N 0.639 121.171 120.570 -0.063 0.000 2.331 546 I HA 0.211 4.382 4.170 0.002 0.000 0.292 546 I C 1.047 177.139 176.117 -0.042 0.000 0.998 546 I CA -0.991 60.254 61.300 -0.092 0.000 1.267 546 I CB 0.939 38.782 38.000 -0.261 0.000 1.386 546 I HN -0.146 nan 8.210 nan 0.000 0.476 547 I N 7.365 127.930 120.570 -0.007 0.000 2.533 547 I HA 0.033 4.205 4.170 0.002 0.000 0.284 547 I C -0.047 176.077 176.117 0.013 0.000 1.109 547 I CA 0.486 61.790 61.300 0.006 0.000 1.412 547 I CB 0.692 38.703 38.000 0.017 0.000 1.396 547 I HN 0.188 nan 8.210 nan 0.000 0.543 548 V N 9.117 129.040 119.914 0.014 0.000 2.385 548 V HA 0.220 4.341 4.120 0.002 0.000 0.277 548 V C -1.343 174.767 176.094 0.026 0.000 1.012 548 V CA -0.954 61.363 62.300 0.029 0.000 0.832 548 V CB 0.940 32.776 31.823 0.022 0.000 1.028 548 V HN 0.697 nan 8.190 nan 0.000 0.436 549 P HA -0.150 nan 4.420 nan 0.000 0.217 549 P C 0.615 177.926 177.300 0.018 0.000 1.162 549 P CA 1.690 64.802 63.100 0.020 0.000 0.901 549 P CB 0.192 31.903 31.700 0.018 0.000 0.793 550 M N 0.000 119.615 119.600 0.024 0.000 2.572 550 M HA 0.000 4.481 4.480 0.002 0.000 0.227 550 M CA 0.000 55.312 55.300 0.020 0.000 0.988 550 M CB 0.000 32.612 32.600 0.021 0.000 1.302 550 M HN 0.000 nan 8.290 nan 0.000 0.411