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 2wzx_1_A DATA FIRST_RESID 28 DATA SEQUENCE EAPADRLKAL VDAAVQPVMK ANDIPGLAVA ISLKGEPHYF SYGLASKEDG DATA SEQUENCE RRVTPETLFE IGSVSKTFTA TLAGYALTQD KMRLDDRASQ HWPALQGSRF DATA SEQUENCE DGISLLDLAT YTAGGLPLQF PDSVQKDQAQ IRDYYRQWQP TYAPGSQRLY DATA SEQUENCE SNPSIGLFGY LAARSLGQPF ERLMEQQVFP ALGLEQTHLD VPEAALAQYA DATA SEQUENCE QGYGKDDRPL RVGPGPLDAE GYGVKTSAAD LLRFVDANLH PERLDRPWAQ DATA SEQUENCE ALDATHRGYY KVGDMTQGLG WEAYDWPISL KRLQAGNSTP MALQPHRIAR DATA SEQUENCE LPAPQALEGQ RLLNKTGSTN GFGAYVAFVP GRDLGLVILA NRNYPNAERV DATA SEQUENCE KIAYAILSGL EQ 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 28 E HA 0.000 nan 4.350 nan 0.000 0.291 28 E C 0.000 176.619 176.600 0.031 0.000 1.382 28 E CA 0.000 56.417 56.400 0.029 0.000 0.976 28 E CB 0.000 29.717 29.700 0.028 0.000 0.812 29 A N 2.215 125.050 122.820 0.025 0.000 1.883 29 A HA -0.092 4.393 4.320 0.274 0.000 0.217 29 A C -0.493 177.105 177.584 0.025 0.000 1.186 29 A CA 1.722 53.772 52.037 0.022 0.000 0.624 29 A CB -1.293 17.716 19.000 0.016 0.000 0.822 29 A HN 0.085 nan 8.150 nan 0.000 0.444 30 P HA -0.112 nan 4.420 nan 0.000 0.215 30 P C 1.789 179.112 177.300 0.038 0.000 1.157 30 P CA 2.012 65.126 63.100 0.025 0.000 0.868 30 P CB -0.152 31.566 31.700 0.029 0.000 0.788 31 A N -0.230 122.627 122.820 0.061 0.000 1.902 31 A HA -0.218 4.267 4.320 0.274 0.000 0.217 31 A C 1.996 179.640 177.584 0.099 0.000 1.181 31 A CA 2.082 54.177 52.037 0.097 0.000 0.623 31 A CB -1.474 17.584 19.000 0.097 0.000 0.818 31 A HN 0.085 nan 8.150 nan 0.000 0.443 32 D N -0.464 119.976 120.400 0.068 0.000 2.117 32 D HA -0.121 4.684 4.640 0.274 0.000 0.197 32 D C 2.228 178.552 176.300 0.040 0.000 0.987 32 D CA 1.140 55.174 54.000 0.057 0.000 0.829 32 D CB -0.324 40.500 40.800 0.040 0.000 0.961 32 D HN 0.432 nan 8.370 nan 0.000 0.460 33 R N -0.162 120.353 120.500 0.024 0.000 2.075 33 R HA -0.081 4.424 4.340 0.274 0.000 0.232 33 R C 2.263 178.550 176.300 -0.020 0.000 1.126 33 R CA 0.477 56.578 56.100 0.001 0.000 0.963 33 R CB -0.437 29.861 30.300 -0.003 0.000 0.858 33 R HN 0.144 nan 8.270 nan 0.000 0.435 34 L N 1.790 123.006 121.223 -0.012 0.000 2.017 34 L HA -0.174 4.330 4.340 0.274 0.000 0.208 34 L C 2.329 179.108 176.870 -0.150 0.000 1.073 34 L CA 1.839 56.645 54.840 -0.058 0.000 0.745 34 L CB -0.455 41.600 42.059 -0.007 0.000 0.894 34 L HN 0.006 nan 8.230 nan 0.000 0.432 35 K N -0.660 119.740 120.400 -0.000 0.000 2.032 35 K HA -0.201 4.283 4.320 0.274 0.000 0.209 35 K C 1.967 178.515 176.600 -0.087 0.000 1.048 35 K CA 1.511 57.782 56.287 -0.027 0.000 0.927 35 K CB -0.283 32.340 32.500 0.206 0.000 0.712 35 K HN 0.425 nan 8.250 nan 0.000 0.441 36 A N 1.376 124.176 122.820 -0.033 0.000 1.902 36 A HA -0.157 4.327 4.320 0.274 0.000 0.217 36 A C 2.078 179.628 177.584 -0.057 0.000 1.181 36 A CA 1.505 53.527 52.037 -0.024 0.000 0.623 36 A CB -0.638 18.358 19.000 -0.006 0.000 0.818 36 A HN 0.430 nan 8.150 nan 0.000 0.443 37 L N -0.090 121.080 121.223 -0.089 0.000 2.017 37 L HA -0.096 4.408 4.340 0.274 0.000 0.208 37 L C 2.349 179.141 176.870 -0.131 0.000 1.073 37 L CA 2.085 56.869 54.840 -0.094 0.000 0.745 37 L CB -0.557 41.446 42.059 -0.093 0.000 0.894 37 L HN 0.139 nan 8.230 nan 0.000 0.432 38 V N -0.020 119.745 119.914 -0.249 0.000 2.358 38 V HA -0.247 4.037 4.120 0.274 0.000 0.246 38 V C 2.308 178.322 176.094 -0.135 0.000 1.047 38 V CA 1.823 63.956 62.300 -0.279 0.000 1.035 38 V CB -0.898 30.510 31.823 -0.692 0.000 0.658 38 V HN 0.434 nan 8.190 nan 0.000 0.452 39 D N 0.787 121.149 120.400 -0.063 0.000 2.116 39 D HA -0.169 4.635 4.640 0.274 0.000 0.193 39 D C 2.215 178.494 176.300 -0.034 0.000 0.998 39 D CA 1.825 55.853 54.000 0.047 0.000 0.836 39 D CB -0.403 40.457 40.800 0.100 0.000 0.951 39 D HN 0.443 nan 8.370 nan 0.000 0.449 40 A N 0.628 123.425 122.820 -0.039 0.000 1.972 40 A HA 0.006 4.490 4.320 0.274 0.000 0.219 40 A C 2.253 179.809 177.584 -0.047 0.000 1.169 40 A CA 2.082 54.098 52.037 -0.035 0.000 0.635 40 A CB -0.514 18.471 19.000 -0.025 0.000 0.810 40 A HN 0.247 nan 8.150 nan 0.000 0.446 41 A N -0.879 121.905 122.820 -0.060 0.000 1.898 41 A HA 0.143 4.627 4.320 0.274 0.000 0.214 41 A C 2.190 179.723 177.584 -0.086 0.000 1.183 41 A CA 1.600 53.608 52.037 -0.049 0.000 0.622 41 A CB -0.612 18.369 19.000 -0.032 0.000 0.824 41 A HN 0.321 nan 8.150 nan 0.000 0.444 42 V N -0.218 119.596 119.914 -0.166 0.000 2.379 42 V HA -0.212 4.072 4.120 0.274 0.000 0.243 42 V C 2.573 178.492 176.094 -0.291 0.000 1.035 42 V CA 1.844 63.969 62.300 -0.291 0.000 1.035 42 V CB -0.893 30.562 31.823 -0.613 0.000 0.673 42 V HN 0.588 nan 8.190 nan 0.000 0.457 43 Q N 0.179 119.827 119.800 -0.253 0.000 2.061 43 Q HA -0.170 4.334 4.340 0.274 0.000 0.204 43 Q C -0.093 175.841 176.000 -0.110 0.000 0.984 43 Q CA 2.147 57.849 55.803 -0.168 0.000 0.846 43 Q CB -1.289 27.409 28.738 -0.067 0.000 0.902 43 Q HN 0.560 nan 8.270 nan 0.000 0.421 44 P HA -0.092 nan 4.420 nan 0.000 0.217 44 P C 1.423 178.683 177.300 -0.067 0.000 1.151 44 P CA 1.109 64.174 63.100 -0.058 0.000 0.828 44 P CB -0.015 31.661 31.700 -0.040 0.000 0.788 45 V N -0.266 119.600 119.914 -0.081 0.000 2.427 45 V HA -0.194 4.091 4.120 0.274 0.000 0.248 45 V C 2.766 178.771 176.094 -0.148 0.000 1.051 45 V CA 1.651 63.905 62.300 -0.077 0.000 1.048 45 V CB -1.123 30.679 31.823 -0.036 0.000 0.666 45 V HN 0.020 nan 8.190 nan 0.000 0.456 46 M N -0.398 119.088 119.600 -0.190 0.000 2.117 46 M HA -0.200 4.444 4.480 0.274 0.000 0.262 46 M C 2.557 178.773 176.300 -0.140 0.000 1.065 46 M CA 1.869 57.043 55.300 -0.209 0.000 1.114 46 M CB -0.389 32.098 32.600 -0.189 0.000 1.361 46 M HN 0.206 nan 8.290 nan 0.000 0.408 47 K N 0.017 120.358 120.400 -0.099 0.000 2.026 47 K HA -0.012 4.472 4.320 0.274 0.000 0.208 47 K C 2.120 178.684 176.600 -0.059 0.000 1.048 47 K CA 1.280 57.527 56.287 -0.067 0.000 0.929 47 K CB -1.110 31.362 32.500 -0.047 0.000 0.713 47 K HN 0.556 nan 8.250 nan 0.000 0.439 48 A N 1.435 124.222 122.820 -0.055 0.000 1.969 48 A HA -0.089 4.395 4.320 0.274 0.000 0.218 48 A C 1.743 179.310 177.584 -0.029 0.000 1.169 48 A CA 1.485 53.501 52.037 -0.034 0.000 0.635 48 A CB -0.296 18.691 19.000 -0.022 0.000 0.810 48 A HN 0.470 nan 8.150 nan 0.000 0.445 49 N N -0.422 118.244 118.700 -0.056 0.000 2.214 49 N HA 0.036 4.940 4.740 0.274 0.000 0.214 49 N C -0.526 174.942 175.510 -0.069 0.000 1.132 49 N CA 0.540 53.564 53.050 -0.043 0.000 0.856 49 N CB 0.387 38.843 38.487 -0.051 0.000 1.020 49 N HN 0.373 nan 8.380 nan 0.000 0.509 50 D N 1.241 121.595 120.400 -0.077 0.000 2.686 50 D HA -0.190 4.615 4.640 0.274 0.000 0.235 50 D C -0.514 175.723 176.300 -0.104 0.000 1.160 50 D CA 0.456 54.408 54.000 -0.080 0.000 0.645 50 D CB -1.434 39.331 40.800 -0.058 0.000 1.039 50 D HN 0.379 nan 8.370 nan 0.000 0.423 51 I N 0.241 120.726 120.570 -0.142 0.000 2.379 51 I HA 0.130 4.465 4.170 0.274 0.000 0.290 51 I C -0.983 175.077 176.117 -0.095 0.000 1.063 51 I CA -1.840 59.372 61.300 -0.147 0.000 1.351 51 I CB 1.056 38.892 38.000 -0.272 0.000 1.410 51 I HN -0.032 nan 8.210 nan 0.000 0.505 52 P HA -0.019 nan 4.420 nan 0.000 0.216 52 P C 0.420 177.737 177.300 0.028 0.000 1.153 52 P CA 0.531 63.575 63.100 -0.094 0.000 0.844 52 P CB 0.321 31.870 31.700 -0.252 0.000 0.787 53 G N -0.960 107.912 108.800 0.120 0.000 2.719 53 G HA2 0.629 4.753 3.960 0.274 0.000 0.298 53 G HA3 0.629 4.753 3.960 0.274 0.000 0.298 53 G C -2.295 172.794 174.900 0.315 0.000 1.411 53 G CA -0.274 44.969 45.100 0.239 0.000 0.991 53 G HN 0.172 nan 8.290 nan 0.000 0.509 54 L N 1.333 122.748 121.223 0.321 0.000 2.526 54 L HA 0.817 5.321 4.340 0.274 0.000 0.263 54 L C -0.558 176.499 176.870 0.312 0.000 0.943 54 L CA -0.789 54.181 54.840 0.217 0.000 0.859 54 L CB 2.054 44.155 42.059 0.070 0.000 1.313 54 L HN 0.843 nan 8.230 nan 0.000 0.406 55 A N 4.565 127.460 122.820 0.124 0.000 2.331 55 A HA 0.810 5.294 4.320 0.274 0.000 0.320 55 A C -1.306 176.395 177.584 0.195 0.000 1.138 55 A CA -0.494 51.667 52.037 0.206 0.000 0.790 55 A CB 1.703 20.817 19.000 0.190 0.000 1.206 55 A HN 0.427 nan 8.150 nan 0.000 0.470 56 V N 1.346 121.463 119.914 0.339 0.000 2.513 56 V HA 0.790 5.074 4.120 0.274 0.000 0.299 56 V C 0.299 176.627 176.094 0.391 0.000 1.035 56 V CA -0.160 62.348 62.300 0.347 0.000 0.889 56 V CB 1.588 33.664 31.823 0.423 0.000 0.988 56 V HN 1.281 nan 8.190 nan 0.000 0.440 57 A N 5.708 128.724 122.820 0.328 0.000 2.374 57 A HA 0.922 5.406 4.320 0.274 0.000 0.305 57 A C -1.104 176.613 177.584 0.222 0.000 1.053 57 A CA -0.454 51.782 52.037 0.333 0.000 0.726 57 A CB 1.107 20.350 19.000 0.405 0.000 1.229 57 A HN 0.734 nan 8.150 nan 0.000 0.431 58 I N 1.323 121.999 120.570 0.178 0.000 2.498 58 I HA 0.392 4.726 4.170 0.274 0.000 0.290 58 I C 0.209 176.397 176.117 0.119 0.000 1.032 58 I CA -0.490 60.901 61.300 0.152 0.000 1.073 58 I CB 2.356 40.468 38.000 0.185 0.000 1.251 58 I HN 0.539 nan 8.210 nan 0.000 0.426 59 S N 6.830 122.577 115.700 0.079 0.000 2.422 59 S HA 0.695 5.329 4.470 0.274 0.000 0.308 59 S C -1.002 173.648 174.600 0.084 0.000 1.097 59 S CA -0.435 57.802 58.200 0.063 0.000 1.099 59 S CB 0.499 63.709 63.200 0.016 0.000 0.976 59 S HN 0.437 nan 8.310 nan 0.000 0.471 60 L N 5.172 126.478 121.223 0.137 0.000 2.470 60 L HA 0.559 5.064 4.340 0.274 0.000 0.268 60 L C -0.039 176.899 176.870 0.114 0.000 0.964 60 L CA 0.032 54.936 54.840 0.108 0.000 0.839 60 L CB 1.167 43.265 42.059 0.065 0.000 1.276 60 L HN 0.842 nan 8.230 nan 0.000 0.403 61 K N 4.352 124.794 120.400 0.070 0.000 3.012 61 K HA -0.201 4.284 4.320 0.274 0.000 0.259 61 K C 0.871 177.495 176.600 0.041 0.000 0.989 61 K CA 0.859 57.179 56.287 0.056 0.000 0.728 61 K CB -1.786 30.747 32.500 0.056 0.000 1.260 61 K HN 1.379 nan 8.250 nan 0.000 0.480 62 G N -0.315 108.505 108.800 0.034 0.000 2.143 62 G HA2 -0.311 3.813 3.960 0.274 0.000 0.248 62 G HA3 -0.311 3.813 3.960 0.274 0.000 0.248 62 G C -0.320 174.561 174.900 -0.032 0.000 0.991 62 G CA 0.685 45.782 45.100 -0.006 0.000 0.689 62 G HN 0.496 nan 8.290 nan 0.000 0.522 63 E N 0.516 120.700 120.200 -0.027 0.000 2.293 63 E HA 0.498 5.012 4.350 0.274 0.000 0.270 63 E C -2.765 173.701 176.600 -0.223 0.000 0.879 63 E CA -2.174 54.144 56.400 -0.137 0.000 0.756 63 E CB 2.998 32.592 29.700 -0.177 0.000 1.208 63 E HN 0.156 nan 8.360 nan 0.000 0.428 64 P HA 0.222 nan 4.420 nan 0.000 0.286 64 P C -1.120 175.667 177.300 -0.855 0.000 1.261 64 P CA -0.291 62.528 63.100 -0.469 0.000 0.821 64 P CB 1.058 32.499 31.700 -0.432 0.000 1.013 65 H N 1.863 120.600 119.070 -0.555 0.000 2.689 65 H HA 0.330 5.045 4.556 0.264 0.000 0.346 65 H C -0.757 174.203 175.328 -0.613 0.000 1.037 65 H CA -0.200 55.541 56.048 -0.512 0.000 1.234 65 H CB 1.271 30.974 29.762 -0.098 0.000 1.572 65 H HN 0.396 nan 8.280 nan 0.000 0.524 66 Y N 1.800 121.917 120.300 -0.306 0.000 2.393 66 Y HA 0.421 5.121 4.550 0.250 0.000 0.341 66 Y C -0.578 174.896 175.900 -0.710 0.000 0.988 66 Y CA -1.001 56.931 58.100 -0.280 0.000 1.078 66 Y CB 1.326 39.695 38.460 -0.153 0.000 1.203 66 Y HN 0.394 nan 8.280 nan 0.000 0.453 67 F N 0.895 120.982 119.950 0.227 0.000 2.562 67 F HA 0.568 5.237 4.527 0.237 0.000 0.319 67 F C -0.314 175.480 175.800 -0.009 0.000 1.154 67 F CA -0.682 57.354 58.000 0.060 0.000 0.931 67 F CB 2.054 41.151 39.000 0.161 0.000 1.198 67 F HN 0.276 nan 8.300 nan 0.000 0.444 68 S N 2.581 118.208 115.700 -0.122 0.000 2.482 68 S HA 0.722 5.356 4.470 0.274 0.000 0.303 68 S C -1.548 172.875 174.600 -0.296 0.000 1.091 68 S CA -0.763 57.407 58.200 -0.049 0.000 1.057 68 S CB 1.132 64.349 63.200 0.028 0.000 1.031 68 S HN 0.424 nan 8.310 nan 0.000 0.485 69 Y N 0.722 121.116 120.300 0.157 0.000 2.442 69 Y HA 0.631 5.250 4.550 0.114 0.000 0.344 69 Y C 0.857 176.822 175.900 0.108 0.000 0.976 69 Y CA 0.002 58.173 58.100 0.117 0.000 1.040 69 Y CB 1.641 40.158 38.460 0.095 0.000 1.228 69 Y HN 1.032 nan 8.280 nan 0.000 0.451 70 G N 1.950 110.876 108.800 0.210 0.000 2.569 70 G HA2 -0.246 3.878 3.960 0.274 0.000 0.259 70 G HA3 -0.246 3.878 3.960 0.274 0.000 0.259 70 G C -1.344 173.628 174.900 0.119 0.000 1.263 70 G CA -0.473 44.711 45.100 0.140 0.000 0.928 70 G HN 0.661 nan 8.290 nan 0.000 0.572 71 L N 0.525 121.807 121.223 0.098 0.000 2.341 71 L HA 0.630 5.134 4.340 0.274 0.000 0.278 71 L C 1.624 178.564 176.870 0.116 0.000 1.005 71 L CA -0.306 54.583 54.840 0.082 0.000 0.818 71 L CB 1.725 43.806 42.059 0.037 0.000 1.259 71 L HN 0.987 nan 8.230 nan 0.000 0.418 72 A N 1.916 124.795 122.820 0.098 0.000 1.930 72 A HA -0.030 4.454 4.320 0.274 0.000 0.217 72 A C 1.054 178.712 177.584 0.123 0.000 1.175 72 A CA 1.191 53.272 52.037 0.072 0.000 0.627 72 A CB 0.035 19.037 19.000 0.003 0.000 0.815 72 A HN 0.561 nan 8.150 nan 0.000 0.443 73 S N -1.512 114.259 115.700 0.119 0.000 2.672 73 S HA 0.428 5.062 4.470 0.274 0.000 0.291 73 S C 0.303 174.979 174.600 0.127 0.000 1.145 73 S CA -0.681 57.620 58.200 0.168 0.000 1.013 73 S CB 1.151 64.404 63.200 0.088 0.000 1.017 73 S HN 0.335 nan 8.310 nan 0.000 0.487 74 K N 2.652 123.137 120.400 0.142 0.000 2.148 74 K HA -0.066 4.418 4.320 0.274 0.000 0.204 74 K C 1.145 177.766 176.600 0.034 0.000 1.050 74 K CA 1.430 57.720 56.287 0.004 0.000 0.942 74 K CB 0.055 32.464 32.500 -0.153 0.000 0.724 74 K HN 0.553 nan 8.250 nan 0.000 0.446 75 E N 0.801 121.049 120.200 0.081 0.000 2.076 75 E HA -0.137 4.378 4.350 0.274 0.000 0.190 75 E C 1.168 177.788 176.600 0.033 0.000 0.979 75 E CA 1.480 57.912 56.400 0.053 0.000 0.807 75 E CB 0.072 29.810 29.700 0.063 0.000 0.761 75 E HN 0.432 nan 8.360 nan 0.000 0.454 76 D N -1.883 118.539 120.400 0.035 0.000 2.369 76 D HA 0.147 4.952 4.640 0.274 0.000 0.211 76 D C 1.145 177.457 176.300 0.020 0.000 1.077 76 D CA 0.533 54.546 54.000 0.022 0.000 0.842 76 D CB 0.394 41.203 40.800 0.015 0.000 0.947 76 D HN 0.155 nan 8.370 nan 0.000 0.509 77 G N 0.637 109.452 108.800 0.026 0.000 2.162 77 G HA2 -0.369 3.755 3.960 0.274 0.000 0.260 77 G HA3 -0.369 3.755 3.960 0.274 0.000 0.260 77 G C 0.217 175.132 174.900 0.024 0.000 0.976 77 G CA -0.075 45.038 45.100 0.022 0.000 0.655 77 G HN 0.428 nan 8.290 nan 0.000 0.533 78 R N 0.660 121.176 120.500 0.028 0.000 2.502 78 R HA 0.275 4.780 4.340 0.274 0.000 0.292 78 R C 0.980 177.302 176.300 0.036 0.000 0.998 78 R CA 0.166 56.282 56.100 0.026 0.000 1.056 78 R CB 0.332 30.645 30.300 0.022 0.000 0.939 78 R HN 0.357 nan 8.270 nan 0.000 0.411 79 R N 1.561 122.082 120.500 0.034 0.000 2.500 79 R HA 0.192 4.696 4.340 0.274 0.000 0.275 79 R C -0.183 176.153 176.300 0.060 0.000 1.051 79 R CA -0.661 55.468 56.100 0.048 0.000 1.088 79 R CB 1.064 31.387 30.300 0.037 0.000 1.063 79 R HN 0.285 nan 8.270 nan 0.000 0.511 80 V N 2.298 122.274 119.914 0.103 0.000 2.655 80 V HA 0.074 4.358 4.120 0.274 0.000 0.300 80 V C 0.821 176.983 176.094 0.112 0.000 1.044 80 V CA 0.406 62.798 62.300 0.153 0.000 1.095 80 V CB 0.982 32.981 31.823 0.293 0.000 0.952 80 V HN 0.989 nan 8.190 nan 0.000 0.485 81 T N 2.561 117.175 114.554 0.101 0.000 2.864 81 T HA 0.497 5.011 4.350 0.274 0.000 0.289 81 T C -2.465 172.264 174.700 0.048 0.000 1.082 81 T CA -2.003 60.123 62.100 0.044 0.000 1.009 81 T CB 2.147 71.013 68.868 -0.004 0.000 1.234 81 T HN 0.326 nan 8.240 nan 0.000 0.526 82 P HA 0.128 nan 4.420 nan 0.000 0.234 82 P C 0.636 177.854 177.300 -0.137 0.000 1.167 82 P CA 0.703 63.686 63.100 -0.195 0.000 0.763 82 P CB 0.061 31.367 31.700 -0.657 0.000 0.835 83 E N -1.937 118.219 120.200 -0.074 0.000 2.476 83 E HA 0.066 4.580 4.350 0.274 0.000 0.199 83 E C 0.098 176.699 176.600 0.002 0.000 1.021 83 E CA 0.071 56.443 56.400 -0.047 0.000 0.907 83 E CB -0.029 29.633 29.700 -0.062 0.000 0.974 83 E HN 0.126 nan 8.360 nan 0.000 0.489 84 T N 2.134 116.712 114.554 0.040 0.000 2.908 84 T HA 0.069 4.583 4.350 0.274 0.000 0.301 84 T C 0.280 174.973 174.700 -0.012 0.000 1.019 84 T CA 0.300 62.390 62.100 -0.016 0.000 1.152 84 T CB 0.413 69.247 68.868 -0.057 0.000 0.966 84 T HN 0.058 nan 8.240 nan 0.000 0.540 85 L N 4.084 125.246 121.223 -0.102 0.000 2.290 85 L HA 0.488 4.993 4.340 0.274 0.000 0.284 85 L C -0.415 176.339 176.870 -0.193 0.000 1.078 85 L CA -0.439 54.337 54.840 -0.106 0.000 0.815 85 L CB 0.280 42.212 42.059 -0.211 0.000 1.162 85 L HN 0.537 nan 8.230 nan 0.000 0.435 86 F N 0.619 120.548 119.950 -0.036 0.000 2.538 86 F HA 0.358 5.061 4.527 0.294 0.000 0.325 86 F C 0.467 176.037 175.800 -0.383 0.000 1.066 86 F CA -0.859 57.108 58.000 -0.054 0.000 0.946 86 F CB 1.523 40.642 39.000 0.198 0.000 1.199 86 F HN 0.404 nan 8.300 nan 0.000 0.473 87 E N 2.747 122.488 120.200 -0.764 0.000 2.344 87 E HA 0.151 4.666 4.350 0.274 0.000 0.270 87 E C 0.717 177.277 176.600 -0.067 0.000 1.021 87 E CA 0.045 56.159 56.400 -0.477 0.000 0.887 87 E CB 0.927 30.231 29.700 -0.660 0.000 0.997 87 E HN 0.642 nan 8.360 nan 0.000 0.429 88 I N -0.006 120.588 120.570 0.039 0.000 4.018 88 I HA 0.300 4.635 4.170 0.274 0.000 0.337 88 I C 1.015 177.240 176.117 0.182 0.000 1.327 88 I CA -0.057 61.331 61.300 0.145 0.000 1.100 88 I CB -0.049 38.047 38.000 0.160 0.000 1.025 88 I HN 0.703 nan 8.210 nan 0.000 0.396 89 G N 2.238 111.148 108.800 0.184 0.000 2.634 89 G HA2 -0.389 3.735 3.960 0.274 0.000 0.309 89 G HA3 -0.389 3.735 3.960 0.274 0.000 0.309 89 G C 0.750 175.808 174.900 0.265 0.000 1.265 89 G CA 0.674 45.917 45.100 0.239 0.000 0.998 89 G HN 0.377 nan 8.290 nan 0.000 0.551 90 S N 0.053 115.906 115.700 0.255 0.000 2.537 90 S HA 0.026 4.660 4.470 0.274 0.000 0.240 90 S C 2.386 177.121 174.600 0.225 0.000 0.981 90 S CA 1.282 59.644 58.200 0.270 0.000 0.948 90 S CB -0.137 63.252 63.200 0.316 0.000 0.759 90 S HN 0.737 nan 8.310 nan 0.000 0.531 91 V N 1.673 121.709 119.914 0.204 0.000 2.688 91 V HA -0.168 4.117 4.120 0.274 0.000 0.256 91 V C 2.180 178.402 176.094 0.213 0.000 1.084 91 V CA 1.546 63.948 62.300 0.169 0.000 1.103 91 V CB -0.959 30.986 31.823 0.204 0.000 0.688 91 V HN 0.456 nan 8.190 nan 0.000 0.480 92 S N -0.180 115.679 115.700 0.265 0.000 2.420 92 S HA -0.253 4.382 4.470 0.274 0.000 0.237 92 S C 1.911 176.691 174.600 0.300 0.000 1.023 92 S CA 1.427 59.823 58.200 0.326 0.000 0.991 92 S CB -0.310 63.025 63.200 0.225 0.000 0.792 92 S HN 0.658 nan 8.310 nan 0.000 0.488 93 K N 0.864 121.387 120.400 0.204 0.000 2.209 93 K HA -0.101 4.383 4.320 0.274 0.000 0.204 93 K C 2.412 179.059 176.600 0.079 0.000 1.048 93 K CA 1.591 57.977 56.287 0.164 0.000 0.940 93 K CB -0.450 32.155 32.500 0.176 0.000 0.729 93 K HN 0.625 nan 8.250 nan 0.000 0.451 94 T N -1.437 113.074 114.554 -0.071 0.000 2.904 94 T HA -0.065 4.449 4.350 0.274 0.000 0.267 94 T C 1.714 176.415 174.700 0.002 0.000 1.059 94 T CA 0.660 62.599 62.100 -0.269 0.000 1.137 94 T CB -0.308 68.066 68.868 -0.822 0.000 0.879 94 T HN 0.005 nan 8.240 nan 0.000 0.467 95 F N 2.276 122.264 119.950 0.063 0.000 2.146 95 F HA 0.048 4.736 4.527 0.269 0.000 0.298 95 F C 2.993 178.873 175.800 0.134 0.000 1.096 95 F CA 1.304 59.319 58.000 0.024 0.000 1.275 95 F CB -1.172 37.800 39.000 -0.046 0.000 1.008 95 F HN 0.120 nan 8.300 nan 0.000 0.480 96 T N -0.011 114.775 114.554 0.388 0.000 2.720 96 T HA -0.240 4.275 4.350 0.274 0.000 0.268 96 T C 2.276 177.158 174.700 0.303 0.000 1.037 96 T CA 1.410 63.752 62.100 0.403 0.000 1.144 96 T CB -0.711 68.355 68.868 0.329 0.000 0.864 96 T HN 0.302 nan 8.240 nan 0.000 0.444 97 A N 1.217 124.200 122.820 0.272 0.000 1.972 97 A HA -0.120 4.364 4.320 0.274 0.000 0.219 97 A C 2.541 180.284 177.584 0.265 0.000 1.169 97 A CA 1.986 54.198 52.037 0.291 0.000 0.635 97 A CB -1.131 17.991 19.000 0.204 0.000 0.810 97 A HN 0.491 nan 8.150 nan 0.000 0.446 98 T N 0.045 114.764 114.554 0.275 0.000 2.777 98 T HA -0.089 4.425 4.350 0.274 0.000 0.266 98 T C 1.861 176.739 174.700 0.297 0.000 1.040 98 T CA 1.269 63.556 62.100 0.311 0.000 1.141 98 T CB -0.365 68.739 68.868 0.394 0.000 0.868 98 T HN 0.419 nan 8.240 nan 0.000 0.444 99 L N 0.823 122.188 121.223 0.236 0.000 2.046 99 L HA -0.092 4.412 4.340 0.274 0.000 0.208 99 L C 2.705 179.641 176.870 0.109 0.000 1.077 99 L CA 1.591 56.529 54.840 0.165 0.000 0.747 99 L CB -0.530 41.542 42.059 0.022 0.000 0.896 99 L HN 0.271 nan 8.230 nan 0.000 0.432 100 A N -0.201 122.646 122.820 0.044 0.000 1.933 100 A HA -0.122 4.362 4.320 0.274 0.000 0.218 100 A C 2.306 179.900 177.584 0.016 0.000 1.175 100 A CA 1.493 53.467 52.037 -0.106 0.000 0.628 100 A CB -1.485 17.327 19.000 -0.314 0.000 0.814 100 A HN 0.552 nan 8.150 nan 0.000 0.444 101 G N -1.666 107.205 108.800 0.118 0.000 2.442 101 G HA2 -0.298 3.827 3.960 0.274 0.000 0.219 101 G HA3 -0.298 3.827 3.960 0.274 0.000 0.219 101 G C 1.537 176.454 174.900 0.028 0.000 1.141 101 G CA 1.329 46.489 45.100 0.101 0.000 0.763 101 G HN 0.581 nan 8.290 nan 0.000 0.554 102 Y N 1.940 122.169 120.300 -0.118 0.000 2.145 102 Y HA 0.038 4.752 4.550 0.274 0.000 0.286 102 Y C 2.945 178.704 175.900 -0.235 0.000 1.145 102 Y CA 1.367 59.285 58.100 -0.303 0.000 1.148 102 Y CB -0.515 37.657 38.460 -0.480 0.000 0.981 102 Y HN 0.243 nan 8.280 nan 0.000 0.507 103 A N 0.264 122.987 122.820 -0.160 0.000 1.908 103 A HA -0.193 4.291 4.320 0.274 0.000 0.218 103 A C 2.333 179.783 177.584 -0.224 0.000 1.181 103 A CA 1.983 53.881 52.037 -0.232 0.000 0.627 103 A CB -1.185 17.708 19.000 -0.178 0.000 0.818 103 A HN 0.572 nan 8.150 nan 0.000 0.445 104 L N -0.419 120.715 121.223 -0.149 0.000 2.027 104 L HA -0.142 4.362 4.340 0.274 0.000 0.206 104 L C 2.902 179.702 176.870 -0.115 0.000 1.074 104 L CA 1.853 56.638 54.840 -0.091 0.000 0.745 104 L CB -0.635 41.417 42.059 -0.012 0.000 0.898 104 L HN 0.641 nan 8.230 nan 0.000 0.433 105 T N -4.421 110.039 114.554 -0.157 0.000 3.088 105 T HA -0.058 4.456 4.350 0.274 0.000 0.259 105 T C 1.552 176.111 174.700 -0.235 0.000 1.122 105 T CA 0.273 62.278 62.100 -0.158 0.000 1.095 105 T CB 0.032 68.820 68.868 -0.133 0.000 0.930 105 T HN 0.196 nan 8.240 nan 0.000 0.508 106 Q N 1.021 120.613 119.800 -0.345 0.000 2.360 106 Q HA 0.093 4.597 4.340 0.274 0.000 0.202 106 Q C -0.052 175.814 176.000 -0.224 0.000 0.915 106 Q CA 0.201 55.785 55.803 -0.365 0.000 0.943 106 Q CB 0.050 28.422 28.738 -0.610 0.000 1.064 106 Q HN 0.575 nan 8.270 nan 0.000 0.511 107 D N 0.076 120.379 120.400 -0.160 0.000 2.945 107 D HA -0.167 4.637 4.640 0.274 0.000 0.225 107 D C 0.666 176.920 176.300 -0.077 0.000 1.158 107 D CA 0.591 54.534 54.000 -0.095 0.000 0.805 107 D CB -0.510 40.245 40.800 -0.076 0.000 1.098 107 D HN 0.248 nan 8.370 nan 0.000 0.426 108 K N -0.701 119.637 120.400 -0.102 0.000 2.356 108 K HA 0.134 4.618 4.320 0.274 0.000 0.195 108 K C 1.295 177.893 176.600 -0.003 0.000 1.037 108 K CA 0.601 56.849 56.287 -0.065 0.000 1.014 108 K CB 0.450 32.882 32.500 -0.114 0.000 0.815 108 K HN 0.589 nan 8.250 nan 0.000 0.507 109 M N -1.453 118.127 119.600 -0.033 0.000 2.682 109 M HA 0.467 5.111 4.480 0.274 0.000 0.272 109 M C -1.544 174.766 176.300 0.018 0.000 1.232 109 M CA -0.937 54.369 55.300 0.010 0.000 0.849 109 M CB 2.306 34.772 32.600 -0.223 0.000 1.695 109 M HN -0.330 nan 8.290 nan 0.000 0.481 110 R N 0.499 121.043 120.500 0.073 0.000 2.807 110 R HA 0.605 5.109 4.340 0.274 0.000 0.276 110 R C 0.391 176.738 176.300 0.078 0.000 0.979 110 R CA -0.828 55.309 56.100 0.061 0.000 0.928 110 R CB 2.198 32.534 30.300 0.060 0.000 1.191 110 R HN 0.782 nan 8.270 nan 0.000 0.471 111 L N 1.123 122.383 121.223 0.061 0.000 2.191 111 L HA -0.189 4.315 4.340 0.274 0.000 0.212 111 L C 1.177 178.067 176.870 0.033 0.000 1.103 111 L CA 1.361 56.225 54.840 0.040 0.000 0.769 111 L CB -0.255 41.778 42.059 -0.044 0.000 0.908 111 L HN 0.730 nan 8.230 nan 0.000 0.438 112 D N -2.292 118.136 120.400 0.045 0.000 2.340 112 D HA -0.035 4.769 4.640 0.274 0.000 0.220 112 D C 0.265 176.608 176.300 0.072 0.000 1.039 112 D CA -0.183 53.846 54.000 0.049 0.000 0.866 112 D CB -0.418 40.407 40.800 0.042 0.000 0.913 112 D HN 0.072 nan 8.370 nan 0.000 0.523 113 D N 1.356 121.818 120.400 0.103 0.000 2.443 113 D HA 0.049 4.853 4.640 0.274 0.000 0.239 113 D C 0.708 177.091 176.300 0.139 0.000 1.136 113 D CA 0.115 54.195 54.000 0.133 0.000 0.879 113 D CB 0.719 41.669 40.800 0.250 0.000 1.195 113 D HN -0.061 nan 8.370 nan 0.000 0.443 114 R N 1.268 121.836 120.500 0.113 0.000 2.543 114 R HA 0.233 4.737 4.340 0.274 0.000 0.277 114 R C 0.957 177.368 176.300 0.185 0.000 1.074 114 R CA -0.326 55.852 56.100 0.130 0.000 1.076 114 R CB 0.388 30.744 30.300 0.094 0.000 0.993 114 R HN 0.485 nan 8.270 nan 0.000 0.459 115 A N 2.053 125.010 122.820 0.230 0.000 1.948 115 A HA -0.221 4.263 4.320 0.274 0.000 0.220 115 A C 1.918 179.644 177.584 0.236 0.000 1.177 115 A CA 2.257 54.450 52.037 0.259 0.000 0.636 115 A CB -0.508 18.672 19.000 0.300 0.000 0.815 115 A HN 0.794 nan 8.150 nan 0.000 0.449 116 S N -0.618 115.203 115.700 0.202 0.000 2.507 116 S HA -0.183 4.451 4.470 0.274 0.000 0.235 116 S C 1.828 176.476 174.600 0.081 0.000 0.988 116 S CA 1.096 59.386 58.200 0.150 0.000 0.944 116 S CB -0.418 62.860 63.200 0.129 0.000 0.762 116 S HN 0.721 nan 8.310 nan 0.000 0.526 117 Q N 0.724 120.532 119.800 0.013 0.000 2.234 117 Q HA -0.188 4.316 4.340 0.274 0.000 0.206 117 Q C 1.112 176.931 176.000 -0.301 0.000 0.980 117 Q CA 1.408 57.099 55.803 -0.187 0.000 0.869 117 Q CB -0.147 28.386 28.738 -0.341 0.000 0.912 117 Q HN 0.773 nan 8.270 nan 0.000 0.436 118 H N -2.606 116.521 119.070 0.095 0.000 2.652 118 H HA 0.078 4.799 4.556 0.274 0.000 0.274 118 H C -0.794 174.629 175.328 0.158 0.000 1.021 118 H CA 0.072 56.162 56.048 0.070 0.000 1.187 118 H CB 0.633 30.399 29.762 0.007 0.000 1.505 118 H HN 0.231 nan 8.280 nan 0.000 0.530 119 W N 2.133 123.465 121.300 0.053 0.000 2.822 119 W HA 0.290 5.114 4.660 0.274 0.000 0.317 119 W C -2.641 173.904 176.519 0.044 0.000 1.033 119 W CA -3.003 54.373 57.345 0.052 0.000 1.252 119 W CB 1.060 30.568 29.460 0.080 0.000 1.186 119 W HN -0.185 nan 8.180 nan 0.000 0.383 120 P HA -0.176 nan 4.420 nan 0.000 0.217 120 P C 1.605 178.860 177.300 -0.075 0.000 1.148 120 P CA 2.924 66.065 63.100 0.069 0.000 0.828 120 P CB 0.114 31.869 31.700 0.091 0.000 0.783 121 A N -0.671 121.986 122.820 -0.271 0.000 2.032 121 A HA -0.165 4.319 4.320 0.274 0.000 0.221 121 A C 2.003 179.325 177.584 -0.437 0.000 1.165 121 A CA 1.400 53.151 52.037 -0.477 0.000 0.645 121 A CB -1.492 16.969 19.000 -0.898 0.000 0.807 121 A HN 0.198 nan 8.150 nan 0.000 0.453 122 L N -0.881 120.110 121.223 -0.387 0.000 2.567 122 L HA 0.040 4.544 4.340 0.274 0.000 0.225 122 L C 0.655 177.523 176.870 -0.004 0.000 1.119 122 L CA -0.202 54.542 54.840 -0.159 0.000 0.871 122 L CB -0.286 41.719 42.059 -0.090 0.000 1.036 122 L HN 0.432 nan 8.230 nan 0.000 0.459 123 Q N 0.459 120.249 119.800 -0.018 0.000 2.300 123 Q HA 0.159 4.663 4.340 0.274 0.000 0.280 123 Q C 1.189 177.196 176.000 0.011 0.000 1.033 123 Q CA 0.916 56.727 55.803 0.014 0.000 0.903 123 Q CB 0.597 29.338 28.738 0.006 0.000 1.195 123 Q HN 0.401 nan 8.270 nan 0.000 0.386 124 G N 1.574 110.389 108.800 0.025 0.000 2.225 124 G HA2 -0.317 3.807 3.960 0.274 0.000 0.254 124 G HA3 -0.317 3.807 3.960 0.274 0.000 0.254 124 G C 0.315 175.231 174.900 0.027 0.000 0.988 124 G CA 0.326 45.436 45.100 0.017 0.000 0.625 124 G HN 0.742 nan 8.290 nan 0.000 0.527 125 S N -0.636 115.101 115.700 0.061 0.000 2.694 125 S HA 0.684 5.319 4.470 0.274 0.000 0.278 125 S C 1.497 176.141 174.600 0.072 0.000 1.152 125 S CA -0.057 58.200 58.200 0.095 0.000 1.010 125 S CB 1.138 64.462 63.200 0.206 0.000 1.104 125 S HN 0.137 nan 8.310 nan 0.000 0.547 126 R N -0.400 120.110 120.500 0.016 0.000 2.285 126 R HA 0.075 4.579 4.340 0.274 0.000 0.213 126 R C 1.180 177.375 176.300 -0.174 0.000 1.068 126 R CA 0.687 56.712 56.100 -0.126 0.000 1.004 126 R CB -1.186 28.962 30.300 -0.254 0.000 0.873 126 R HN 0.711 nan 8.270 nan 0.000 0.467 127 F N 0.999 121.018 119.950 0.114 0.000 2.771 127 F HA -0.044 4.647 4.527 0.273 0.000 0.299 127 F C 1.555 177.398 175.800 0.072 0.000 1.177 127 F CA 0.472 58.535 58.000 0.105 0.000 1.450 127 F CB -0.084 38.970 39.000 0.090 0.000 1.114 127 F HN -0.080 nan 8.300 nan 0.000 0.587 128 D N -0.242 120.247 120.400 0.149 0.000 2.219 128 D HA -0.080 4.724 4.640 0.274 0.000 0.205 128 D C 2.271 178.611 176.300 0.066 0.000 0.970 128 D CA 1.219 55.275 54.000 0.092 0.000 0.851 128 D CB -0.285 40.546 40.800 0.052 0.000 0.943 128 D HN 0.316 nan 8.370 nan 0.000 0.488 129 G N -0.447 108.377 108.800 0.040 0.000 3.575 129 G HA2 0.351 4.476 3.960 0.274 0.000 0.273 129 G HA3 0.351 4.476 3.960 0.274 0.000 0.273 129 G C 0.248 175.167 174.900 0.032 0.000 1.053 129 G CA -0.224 44.890 45.100 0.022 0.000 0.803 129 G HN 0.097 nan 8.290 nan 0.000 0.528 130 I N 1.821 122.434 120.570 0.073 0.000 2.466 130 I HA 0.294 4.629 4.170 0.274 0.000 0.289 130 I C 0.283 176.487 176.117 0.144 0.000 1.026 130 I CA -0.842 60.519 61.300 0.102 0.000 1.078 130 I CB 2.328 40.392 38.000 0.106 0.000 1.249 130 I HN 0.114 nan 8.210 nan 0.000 0.429 131 S N 5.793 121.556 115.700 0.106 0.000 2.652 131 S HA 0.431 5.065 4.470 0.274 0.000 0.270 131 S C 1.078 175.743 174.600 0.109 0.000 1.243 131 S CA -0.735 57.524 58.200 0.099 0.000 0.999 131 S CB 1.233 64.465 63.200 0.053 0.000 0.973 131 S HN 0.616 nan 8.310 nan 0.000 0.544 132 L N 0.494 121.795 121.223 0.130 0.000 2.083 132 L HA -0.089 4.416 4.340 0.274 0.000 0.209 132 L C 2.495 179.353 176.870 -0.021 0.000 1.083 132 L CA 0.970 55.920 54.840 0.184 0.000 0.752 132 L CB -0.714 41.509 42.059 0.274 0.000 0.899 132 L HN 0.687 nan 8.230 nan 0.000 0.433 133 L N 0.011 121.170 121.223 -0.106 0.000 2.046 133 L HA -0.238 4.267 4.340 0.274 0.000 0.208 133 L C 2.109 178.827 176.870 -0.253 0.000 1.077 133 L CA 1.873 56.535 54.840 -0.296 0.000 0.747 133 L CB -0.705 41.180 42.059 -0.290 0.000 0.896 133 L HN 0.208 nan 8.230 nan 0.000 0.432 134 D N -0.420 119.919 120.400 -0.100 0.000 2.104 134 D HA -0.227 4.578 4.640 0.274 0.000 0.194 134 D C 2.316 178.570 176.300 -0.077 0.000 0.994 134 D CA 1.840 55.818 54.000 -0.037 0.000 0.830 134 D CB -0.251 40.574 40.800 0.041 0.000 0.959 134 D HN 0.381 nan 8.370 nan 0.000 0.452 135 L N 0.698 121.876 121.223 -0.075 0.000 2.017 135 L HA -0.156 4.348 4.340 0.274 0.000 0.208 135 L C 2.614 179.287 176.870 -0.329 0.000 1.073 135 L CA 1.207 55.998 54.840 -0.083 0.000 0.745 135 L CB -0.466 41.629 42.059 0.059 0.000 0.894 135 L HN -0.027 nan 8.230 nan 0.000 0.432 136 A N -0.276 122.120 122.820 -0.706 0.000 1.972 136 A HA -0.185 4.299 4.320 0.274 0.000 0.219 136 A C 2.100 179.147 177.584 -0.896 0.000 1.169 136 A CA 2.181 53.534 52.037 -1.140 0.000 0.635 136 A CB -0.731 17.111 19.000 -1.929 0.000 0.810 136 A HN 0.522 nan 8.150 nan 0.000 0.446 137 T N -6.513 107.651 114.554 -0.650 0.000 3.174 137 T HA 0.356 4.870 4.350 0.274 0.000 0.269 137 T C 0.150 174.734 174.700 -0.193 0.000 1.017 137 T CA 0.196 62.005 62.100 -0.485 0.000 0.899 137 T CB -0.529 68.295 68.868 -0.073 0.000 1.077 137 T HN 0.723 nan 8.240 nan 0.000 0.552 138 Y N 0.556 120.886 120.300 0.050 0.000 4.366 138 Y HA -0.250 4.464 4.550 0.273 0.000 0.236 138 Y C 1.183 177.148 175.900 0.107 0.000 1.142 138 Y CA 0.523 58.664 58.100 0.068 0.000 2.024 138 Y CB -3.112 35.408 38.460 0.100 0.000 1.621 138 Y HN 0.615 nan 8.280 nan 0.000 0.694 139 T N -4.299 110.354 114.554 0.165 0.000 3.228 139 T HA 0.692 5.206 4.350 0.274 0.000 0.278 139 T C 1.426 176.218 174.700 0.153 0.000 1.014 139 T CA 0.168 62.353 62.100 0.141 0.000 0.904 139 T CB 0.553 69.448 68.868 0.044 0.000 1.110 139 T HN 0.501 nan 8.240 nan 0.000 0.541 140 A N 1.316 124.231 122.820 0.158 0.000 2.121 140 A HA 0.539 5.023 4.320 0.274 0.000 0.218 140 A C 1.862 179.612 177.584 0.277 0.000 1.154 140 A CA 0.673 52.812 52.037 0.171 0.000 0.679 140 A CB -0.864 18.209 19.000 0.122 0.000 0.795 140 A HN 1.566 nan 8.150 nan 0.000 0.458 141 G N -3.187 105.803 108.800 0.318 0.000 2.247 141 G HA2 0.411 4.535 3.960 0.274 0.000 0.111 141 G HA3 0.411 4.535 3.960 0.274 0.000 0.111 141 G C 0.975 175.895 174.900 0.034 0.000 1.045 141 G CA 0.367 45.610 45.100 0.237 0.000 0.715 141 G HN 1.976 nan 8.290 nan 0.000 0.485 142 G N -0.998 107.939 108.800 0.229 0.000 2.138 142 G HA2 -0.102 4.023 3.960 0.274 0.000 0.193 142 G HA3 -0.102 4.023 3.960 0.274 0.000 0.193 142 G C 0.493 175.600 174.900 0.345 0.000 0.998 142 G CA -0.021 45.187 45.100 0.180 0.000 0.668 142 G HN 1.294 nan 8.290 nan 0.000 0.516 143 L N 2.196 123.528 121.223 0.182 0.000 2.578 143 L HA 0.221 4.725 4.340 0.274 0.000 0.279 143 L C -0.784 176.095 176.870 0.015 0.000 1.227 143 L CA -1.005 53.751 54.840 -0.140 0.000 0.900 143 L CB 0.413 42.250 42.059 -0.371 0.000 1.144 143 L HN 0.115 nan 8.230 nan 0.000 0.496 144 P HA 0.016 nan 4.420 nan 0.000 0.277 144 P C 0.550 177.832 177.300 -0.030 0.000 1.271 144 P CA -0.638 62.488 63.100 0.043 0.000 0.795 144 P CB 0.973 32.715 31.700 0.071 0.000 1.101 145 L N -0.582 120.646 121.223 0.008 0.000 2.013 145 L HA -0.153 4.351 4.340 0.274 0.000 0.212 145 L C 0.889 177.726 176.870 -0.056 0.000 1.073 145 L CA 2.127 56.965 54.840 -0.003 0.000 0.753 145 L CB -0.576 41.519 42.059 0.060 0.000 0.890 145 L HN 0.328 nan 8.230 nan 0.000 0.432 146 Q N -1.380 118.390 119.800 -0.051 0.000 2.433 146 Q HA 0.275 4.779 4.340 0.274 0.000 0.279 146 Q C -0.951 174.969 176.000 -0.132 0.000 1.105 146 Q CA -0.946 54.823 55.803 -0.056 0.000 0.815 146 Q CB 1.254 29.997 28.738 0.008 0.000 1.403 146 Q HN 0.016 nan 8.270 nan 0.000 0.435 147 F N 2.347 122.205 119.950 -0.153 0.000 2.602 147 F HA 0.084 4.775 4.527 0.273 0.000 0.367 147 F C -1.515 174.164 175.800 -0.202 0.000 1.126 147 F CA -0.559 57.247 58.000 -0.324 0.000 1.321 147 F CB -0.209 38.581 39.000 -0.349 0.000 1.094 147 F HN 0.213 nan 8.300 nan 0.000 0.594 148 P HA -0.028 nan 4.420 nan 0.000 0.268 148 P C 0.168 177.486 177.300 0.031 0.000 1.208 148 P CA 0.025 63.149 63.100 0.039 0.000 0.777 148 P CB 0.611 32.359 31.700 0.081 0.000 0.875 149 D N 0.256 120.675 120.400 0.032 0.000 2.265 149 D HA -0.131 4.673 4.640 0.274 0.000 0.208 149 D C 1.688 177.992 176.300 0.006 0.000 0.977 149 D CA 1.568 55.579 54.000 0.019 0.000 0.871 149 D CB -0.463 40.350 40.800 0.021 0.000 0.925 149 D HN 0.427 nan 8.370 nan 0.000 0.485 150 S N -0.369 115.341 115.700 0.017 0.000 2.515 150 S HA -0.032 4.602 4.470 0.274 0.000 0.231 150 S C 0.988 175.582 174.600 -0.011 0.000 0.987 150 S CA -0.063 58.146 58.200 0.015 0.000 0.936 150 S CB -0.049 63.175 63.200 0.041 0.000 0.766 150 S HN -0.049 nan 8.310 nan 0.000 0.528 151 V N 2.894 122.780 119.914 -0.047 0.000 2.348 151 V HA 0.303 4.588 4.120 0.274 0.000 0.270 151 V C 0.115 176.099 176.094 -0.184 0.000 1.037 151 V CA -0.598 61.621 62.300 -0.134 0.000 0.872 151 V CB 0.797 32.471 31.823 -0.248 0.000 1.002 151 V HN 0.458 nan 8.190 nan 0.000 0.464 152 Q N 2.669 122.380 119.800 -0.148 0.000 2.237 152 Q HA 0.363 4.867 4.340 0.274 0.000 0.219 152 Q C 0.182 176.067 176.000 -0.192 0.000 0.999 152 Q CA -0.812 54.911 55.803 -0.134 0.000 0.959 152 Q CB 1.413 30.105 28.738 -0.076 0.000 1.173 152 Q HN 0.535 nan 8.270 nan 0.000 0.527 153 K N 1.766 122.076 120.400 -0.149 0.000 2.095 153 K HA 0.019 4.504 4.320 0.274 0.000 0.258 153 K C -1.494 175.033 176.600 -0.122 0.000 1.120 153 K CA 0.379 56.571 56.287 -0.160 0.000 1.026 153 K CB -0.284 32.150 32.500 -0.109 0.000 1.256 153 K HN 0.482 nan 8.250 nan 0.000 0.360 154 D N 1.582 121.898 120.400 -0.140 0.000 2.861 154 D HA -0.011 4.793 4.640 0.274 0.000 0.216 154 D C 0.539 176.796 176.300 -0.072 0.000 1.323 154 D CA -0.493 53.458 54.000 -0.081 0.000 0.917 154 D CB 1.399 42.163 40.800 -0.060 0.000 1.582 154 D HN 0.234 nan 8.370 nan 0.000 0.576 155 Q N 2.651 122.434 119.800 -0.028 0.000 2.096 155 Q HA -0.176 4.328 4.340 0.274 0.000 0.204 155 Q C 1.626 177.689 176.000 0.105 0.000 0.982 155 Q CA 1.792 57.610 55.803 0.024 0.000 0.850 155 Q CB -0.055 28.722 28.738 0.065 0.000 0.901 155 Q HN 0.671 nan 8.270 nan 0.000 0.422 156 A N 0.578 123.444 122.820 0.075 0.000 1.898 156 A HA -0.208 4.276 4.320 0.274 0.000 0.216 156 A C 1.993 179.612 177.584 0.058 0.000 1.181 156 A CA 1.458 53.542 52.037 0.078 0.000 0.620 156 A CB -0.475 18.556 19.000 0.052 0.000 0.819 156 A HN 0.466 nan 8.150 nan 0.000 0.442 157 Q N -0.636 119.175 119.800 0.019 0.000 2.119 157 Q HA -0.081 4.423 4.340 0.274 0.000 0.201 157 Q C 2.019 178.026 176.000 0.012 0.000 0.972 157 Q CA 1.385 57.190 55.803 0.003 0.000 0.847 157 Q CB -0.288 28.423 28.738 -0.046 0.000 0.903 157 Q HN 0.748 nan 8.270 nan 0.000 0.433 158 I N 0.438 120.995 120.570 -0.022 0.000 2.202 158 I HA -0.290 4.044 4.170 0.274 0.000 0.242 158 I C 2.679 178.935 176.117 0.232 0.000 1.091 158 I CA 1.008 62.312 61.300 0.007 0.000 1.368 158 I CB -0.350 37.605 38.000 -0.075 0.000 1.058 158 I HN 0.173 nan 8.210 nan 0.000 0.410 159 R N 1.194 121.854 120.500 0.267 0.000 2.112 159 R HA -0.259 4.245 4.340 0.274 0.000 0.242 159 R C 1.815 178.138 176.300 0.040 0.000 1.137 159 R CA 2.546 58.698 56.100 0.086 0.000 0.944 159 R CB -0.406 29.932 30.300 0.063 0.000 0.857 159 R HN 0.296 nan 8.270 nan 0.000 0.435 160 D N -0.638 119.804 120.400 0.070 0.000 2.144 160 D HA -0.169 4.635 4.640 0.274 0.000 0.200 160 D C 1.608 177.969 176.300 0.102 0.000 0.978 160 D CA 1.082 55.121 54.000 0.064 0.000 0.833 160 D CB -0.462 40.374 40.800 0.061 0.000 0.961 160 D HN 0.345 nan 8.370 nan 0.000 0.470 161 Y N 0.456 120.762 120.300 0.010 0.000 2.097 161 Y HA -0.320 4.394 4.550 0.274 0.000 0.282 161 Y C 1.973 177.921 175.900 0.079 0.000 1.152 161 Y CA 1.637 59.739 58.100 0.002 0.000 1.136 161 Y CB -0.560 37.851 38.460 -0.083 0.000 0.975 161 Y HN -0.053 nan 8.280 nan 0.000 0.498 162 Y N 0.235 120.610 120.300 0.125 0.000 2.242 162 Y HA -0.114 4.599 4.550 0.273 0.000 0.291 162 Y C 2.608 178.633 175.900 0.208 0.000 1.137 162 Y CA 1.524 59.684 58.100 0.099 0.000 1.181 162 Y CB -0.613 37.782 38.460 -0.109 0.000 0.989 162 Y HN 0.035 nan 8.280 nan 0.000 0.527 163 R N 0.104 120.726 120.500 0.203 0.000 2.105 163 R HA -0.225 4.279 4.340 0.274 0.000 0.239 163 R C 1.959 178.332 176.300 0.123 0.000 1.135 163 R CA 1.807 57.988 56.100 0.135 0.000 0.967 163 R CB -0.250 30.064 30.300 0.024 0.000 0.861 163 R HN 0.483 nan 8.270 nan 0.000 0.442 164 Q N -1.045 118.803 119.800 0.080 0.000 2.408 164 Q HA -0.055 4.449 4.340 0.274 0.000 0.205 164 Q C 0.229 176.236 176.000 0.012 0.000 0.919 164 Q CA 0.070 55.889 55.803 0.027 0.000 0.932 164 Q CB -0.299 28.443 28.738 0.007 0.000 1.058 164 Q HN 0.285 nan 8.270 nan 0.000 0.517 165 W N 2.656 123.868 121.300 -0.147 0.000 2.210 165 W HA 0.243 5.067 4.660 0.275 0.000 0.330 165 W C -0.632 175.805 176.519 -0.137 0.000 1.334 165 W CA 0.087 57.320 57.345 -0.187 0.000 1.227 165 W CB 0.657 29.975 29.460 -0.236 0.000 1.178 165 W HN 0.088 nan 8.180 nan 0.000 0.560 166 Q N 6.915 126.002 119.800 -1.189 0.000 2.340 166 Q HA 0.324 4.828 4.340 0.274 0.000 0.268 166 Q C -2.197 172.746 176.000 -1.762 0.000 1.031 166 Q CA -2.174 52.947 55.803 -1.137 0.000 0.804 166 Q CB 1.809 30.186 28.738 -0.602 0.000 1.286 166 Q HN 0.214 nan 8.270 nan 0.000 0.448 167 P HA -0.026 nan 4.420 nan 0.000 0.266 167 P C 0.141 177.059 177.300 -0.637 0.000 1.195 167 P CA 0.269 62.779 63.100 -0.984 0.000 0.768 167 P CB 0.724 32.143 31.700 -0.468 0.000 0.838 168 T N 0.769 114.953 114.554 -0.616 0.000 2.978 168 T HA 0.028 4.542 4.350 0.274 0.000 0.262 168 T C 0.197 174.642 174.700 -0.425 0.000 1.063 168 T CA 1.379 63.145 62.100 -0.556 0.000 1.140 168 T CB -0.393 68.074 68.868 -0.667 0.000 0.886 168 T HN 0.490 nan 8.240 nan 0.000 0.470 169 Y N -1.282 118.998 120.300 -0.034 0.000 2.689 169 Y HA 0.743 5.457 4.550 0.273 0.000 0.333 169 Y C -0.427 175.462 175.900 -0.018 0.000 1.190 169 Y CA -2.843 55.243 58.100 -0.024 0.000 1.063 169 Y CB 0.423 38.883 38.460 -0.002 0.000 1.294 169 Y HN -0.110 nan 8.280 nan 0.000 0.466 170 A N 1.896 124.833 122.820 0.196 0.000 2.546 170 A HA 0.408 4.892 4.320 0.274 0.000 0.243 170 A C -2.578 175.091 177.584 0.142 0.000 1.063 170 A CA -1.106 50.995 52.037 0.105 0.000 0.757 170 A CB -0.878 18.162 19.000 0.067 0.000 0.991 170 A HN 0.490 nan 8.150 nan 0.000 0.503 171 P HA 0.210 nan 4.420 nan 0.000 0.265 171 P C 1.083 178.431 177.300 0.080 0.000 1.187 171 P CA 1.932 65.093 63.100 0.103 0.000 0.766 171 P CB 0.555 32.294 31.700 0.066 0.000 0.820 172 G N 1.785 110.629 108.800 0.074 0.000 2.176 172 G HA2 -0.281 3.844 3.960 0.274 0.000 0.253 172 G HA3 -0.281 3.844 3.960 0.274 0.000 0.253 172 G C 0.952 175.850 174.900 -0.003 0.000 0.979 172 G CA 0.577 45.697 45.100 0.033 0.000 0.641 172 G HN 0.634 nan 8.290 nan 0.000 0.530 173 S N -1.510 114.197 115.700 0.012 0.000 2.545 173 S HA 0.414 5.049 4.470 0.274 0.000 0.232 173 S C 0.659 175.191 174.600 -0.113 0.000 1.070 173 S CA 0.769 58.945 58.200 -0.040 0.000 0.923 173 S CB 0.391 63.585 63.200 -0.010 0.000 0.806 173 S HN 0.550 nan 8.310 nan 0.000 0.506 174 Q N 0.678 120.423 119.800 -0.092 0.000 2.347 174 Q HA 0.438 4.942 4.340 0.274 0.000 0.271 174 Q C -1.426 174.572 176.000 -0.003 0.000 1.064 174 Q CA -0.548 55.163 55.803 -0.154 0.000 0.800 174 Q CB 2.783 31.233 28.738 -0.479 0.000 1.304 174 Q HN 0.317 nan 8.270 nan 0.000 0.438 175 R N 2.297 122.799 120.500 0.002 0.000 2.234 175 R HA 0.415 4.919 4.340 0.274 0.000 0.324 175 R C -1.344 175.093 176.300 0.228 0.000 1.054 175 R CA -0.407 55.781 56.100 0.145 0.000 0.912 175 R CB 0.436 30.835 30.300 0.166 0.000 1.030 175 R HN 0.460 nan 8.270 nan 0.000 0.455 176 L N 6.124 127.514 121.223 0.277 0.000 2.415 176 L HA 0.251 4.755 4.340 0.274 0.000 0.268 176 L C -1.390 175.584 176.870 0.173 0.000 0.984 176 L CA -0.760 54.229 54.840 0.248 0.000 0.853 176 L CB 1.023 43.251 42.059 0.281 0.000 1.215 176 L HN 0.586 nan 8.230 nan 0.000 0.419 177 Y N 4.088 124.341 120.300 -0.079 0.000 2.810 177 Y HA 0.344 5.058 4.550 0.274 0.000 0.332 177 Y C 0.164 175.922 175.900 -0.237 0.000 1.243 177 Y CA 1.161 59.007 58.100 -0.425 0.000 1.537 177 Y CB 0.554 38.785 38.460 -0.380 0.000 1.265 177 Y HN 0.721 nan 8.280 nan 0.000 0.572 178 S N 5.410 120.634 115.700 -0.793 0.000 2.626 178 S HA 0.288 4.922 4.470 0.274 0.000 0.275 178 S C -0.005 174.432 174.600 -0.272 0.000 1.175 178 S CA -0.952 57.055 58.200 -0.323 0.000 0.982 178 S CB 0.560 63.721 63.200 -0.064 0.000 1.093 178 S HN 0.835 nan 8.310 nan 0.000 0.472 179 N N 4.857 123.421 118.700 -0.226 0.000 2.084 179 N HA 0.025 4.930 4.740 0.274 0.000 0.190 179 N C -1.280 174.166 175.510 -0.106 0.000 1.030 179 N CA 1.269 54.269 53.050 -0.083 0.000 0.849 179 N CB -1.038 37.473 38.487 0.041 0.000 1.012 179 N HN 0.518 nan 8.380 nan 0.000 0.423 180 P HA -0.045 nan 4.420 nan 0.000 0.220 180 P C 1.481 178.749 177.300 -0.054 0.000 1.148 180 P CA 1.060 63.875 63.100 -0.475 0.000 0.803 180 P CB 0.083 31.182 31.700 -1.002 0.000 0.782 181 S N -0.527 115.146 115.700 -0.045 0.000 2.335 181 S HA -0.100 4.534 4.470 0.274 0.000 0.216 181 S C 1.852 176.474 174.600 0.037 0.000 1.032 181 S CA 0.771 58.983 58.200 0.021 0.000 1.000 181 S CB -0.925 62.320 63.200 0.076 0.000 0.928 181 S HN 0.016 nan 8.310 nan 0.000 0.434 182 I N 0.958 121.561 120.570 0.055 0.000 2.493 182 I HA 0.009 4.343 4.170 0.274 0.000 0.254 182 I C 2.174 178.365 176.117 0.123 0.000 1.160 182 I CA 1.090 62.433 61.300 0.071 0.000 1.445 182 I CB -0.666 37.371 38.000 0.061 0.000 1.086 182 I HN 0.467 nan 8.210 nan 0.000 0.433 183 G N 1.095 109.942 108.800 0.078 0.000 2.446 183 G HA2 -0.321 3.803 3.960 0.274 0.000 0.217 183 G HA3 -0.321 3.803 3.960 0.274 0.000 0.217 183 G C 1.546 176.473 174.900 0.045 0.000 1.168 183 G CA 1.046 46.172 45.100 0.044 0.000 0.771 183 G HN 0.390 nan 8.290 nan 0.000 0.551 184 L N -0.333 120.935 121.223 0.075 0.000 2.083 184 L HA 0.110 4.614 4.340 0.274 0.000 0.209 184 L C 2.433 179.326 176.870 0.039 0.000 1.083 184 L CA 1.513 56.341 54.840 -0.019 0.000 0.752 184 L CB -0.737 41.112 42.059 -0.350 0.000 0.899 184 L HN 0.221 nan 8.230 nan 0.000 0.433 185 F N 0.423 120.324 119.950 -0.083 0.000 2.091 185 F HA -0.138 4.552 4.527 0.273 0.000 0.299 185 F C 2.193 177.954 175.800 -0.064 0.000 1.103 185 F CA 1.887 59.841 58.000 -0.076 0.000 1.228 185 F CB -1.051 37.900 39.000 -0.083 0.000 0.984 185 F HN 0.127 nan 8.300 nan 0.000 0.477 186 G N -1.489 107.237 108.800 -0.124 0.000 2.418 186 G HA2 -0.349 3.775 3.960 0.274 0.000 0.217 186 G HA3 -0.349 3.775 3.960 0.274 0.000 0.217 186 G C 1.608 176.398 174.900 -0.182 0.000 1.158 186 G CA 0.880 45.850 45.100 -0.217 0.000 0.771 186 G HN 0.515 nan 8.290 nan 0.000 0.545 187 Y N 1.189 121.300 120.300 -0.314 0.000 2.181 187 Y HA -0.033 4.681 4.550 0.273 0.000 0.288 187 Y C 2.530 178.272 175.900 -0.263 0.000 1.146 187 Y CA 1.358 59.288 58.100 -0.285 0.000 1.164 187 Y CB -0.185 38.091 38.460 -0.306 0.000 0.982 187 Y HN 0.111 nan 8.280 nan 0.000 0.515 188 L N -0.695 120.368 121.223 -0.266 0.000 2.109 188 L HA -0.134 4.370 4.340 0.274 0.000 0.207 188 L C 2.769 179.396 176.870 -0.404 0.000 1.086 188 L CA 0.903 55.552 54.840 -0.317 0.000 0.760 188 L CB -1.001 40.973 42.059 -0.141 0.000 0.910 188 L HN 0.294 nan 8.230 nan 0.000 0.437 189 A N 0.433 122.997 122.820 -0.426 0.000 1.908 189 A HA -0.211 4.273 4.320 0.274 0.000 0.218 189 A C 2.564 179.994 177.584 -0.256 0.000 1.181 189 A CA 1.875 53.672 52.037 -0.399 0.000 0.627 189 A CB -0.695 18.037 19.000 -0.447 0.000 0.818 189 A HN 0.396 nan 8.150 nan 0.000 0.445 190 A N -0.231 122.474 122.820 -0.191 0.000 1.877 190 A HA -0.189 4.295 4.320 0.274 0.000 0.216 190 A C 2.242 179.678 177.584 -0.247 0.000 1.186 190 A CA 1.582 53.524 52.037 -0.160 0.000 0.620 190 A CB -0.510 18.452 19.000 -0.062 0.000 0.822 190 A HN 0.559 nan 8.150 nan 0.000 0.443 191 R N 0.121 120.391 120.500 -0.384 0.000 2.105 191 R HA -0.133 4.371 4.340 0.274 0.000 0.239 191 R C 2.599 178.801 176.300 -0.164 0.000 1.135 191 R CA 1.683 57.585 56.100 -0.330 0.000 0.967 191 R CB -0.479 29.566 30.300 -0.425 0.000 0.861 191 R HN 0.734 nan 8.270 nan 0.000 0.442 192 S N 0.712 116.311 115.700 -0.168 0.000 2.419 192 S HA -0.075 4.559 4.470 0.274 0.000 0.233 192 S C 1.833 176.385 174.600 -0.079 0.000 1.016 192 S CA 0.901 59.051 58.200 -0.083 0.000 0.974 192 S CB -0.157 62.903 63.200 -0.234 0.000 0.786 192 S HN 0.260 nan 8.310 nan 0.000 0.492 193 L N 0.780 121.941 121.223 -0.103 0.000 2.567 193 L HA 0.344 4.848 4.340 0.274 0.000 0.225 193 L C 1.780 178.615 176.870 -0.058 0.000 1.119 193 L CA 0.347 55.147 54.840 -0.067 0.000 0.871 193 L CB -0.392 41.644 42.059 -0.039 0.000 1.036 193 L HN 0.579 nan 8.230 nan 0.000 0.459 194 G N 0.173 108.927 108.800 -0.078 0.000 2.160 194 G HA2 -0.253 3.871 3.960 0.274 0.000 0.251 194 G HA3 -0.253 3.871 3.960 0.274 0.000 0.251 194 G C 0.053 174.911 174.900 -0.071 0.000 1.008 194 G CA 0.044 45.103 45.100 -0.068 0.000 0.724 194 G HN 0.442 nan 8.290 nan 0.000 0.514 195 Q N -0.934 118.812 119.800 -0.090 0.000 2.456 195 Q HA 0.453 4.957 4.340 0.274 0.000 0.284 195 Q C -2.900 173.039 176.000 -0.101 0.000 1.061 195 Q CA -2.163 53.590 55.803 -0.083 0.000 0.799 195 Q CB 2.600 31.295 28.738 -0.071 0.000 1.445 195 Q HN 0.100 nan 8.270 nan 0.000 0.411 196 P HA -0.020 nan 4.420 nan 0.000 0.268 196 P C -0.129 177.150 177.300 -0.034 0.000 1.205 196 P CA 0.049 63.121 63.100 -0.046 0.000 0.771 196 P CB 0.373 32.061 31.700 -0.020 0.000 0.858 197 F N 3.092 122.966 119.950 -0.126 0.000 2.091 197 F HA -0.285 4.405 4.527 0.272 0.000 0.299 197 F C 1.807 177.527 175.800 -0.133 0.000 1.103 197 F CA 1.980 59.905 58.000 -0.124 0.000 1.228 197 F CB -0.268 38.683 39.000 -0.081 0.000 0.984 197 F HN 0.328 nan 8.300 nan 0.000 0.477 198 E N -0.072 120.144 120.200 0.026 0.000 2.077 198 E HA -0.208 4.306 4.350 0.274 0.000 0.193 198 E C 2.306 178.785 176.600 -0.202 0.000 0.989 198 E CA 1.341 57.694 56.400 -0.078 0.000 0.800 198 E CB -0.376 29.339 29.700 0.025 0.000 0.746 198 E HN 0.356 nan 8.360 nan 0.000 0.452 199 R N 0.429 120.837 120.500 -0.154 0.000 2.075 199 R HA -0.074 4.431 4.340 0.274 0.000 0.232 199 R C 2.198 178.360 176.300 -0.230 0.000 1.126 199 R CA 0.961 56.968 56.100 -0.155 0.000 0.963 199 R CB -0.288 29.952 30.300 -0.100 0.000 0.858 199 R HN 0.201 nan 8.270 nan 0.000 0.435 200 L N 0.437 121.495 121.223 -0.276 0.000 2.042 200 L HA -0.255 4.249 4.340 0.274 0.000 0.210 200 L C 2.659 179.247 176.870 -0.470 0.000 1.076 200 L CA 1.200 55.852 54.840 -0.314 0.000 0.749 200 L CB -0.361 41.518 42.059 -0.301 0.000 0.893 200 L HN 0.250 nan 8.230 nan 0.000 0.432 201 M N -0.620 118.567 119.600 -0.689 0.000 2.067 201 M HA -0.198 4.446 4.480 0.274 0.000 0.260 201 M C 2.170 177.867 176.300 -1.005 0.000 1.069 201 M CA 1.757 56.444 55.300 -1.021 0.000 1.117 201 M CB -1.148 30.754 32.600 -1.164 0.000 1.334 201 M HN 0.273 nan 8.290 nan 0.000 0.407 202 E N -0.364 119.504 120.200 -0.554 0.000 2.072 202 E HA -0.174 4.340 4.350 0.274 0.000 0.191 202 E C 2.167 178.650 176.600 -0.195 0.000 0.985 202 E CA 0.840 57.093 56.400 -0.245 0.000 0.801 202 E CB 0.011 29.647 29.700 -0.107 0.000 0.750 202 E HN 0.512 nan 8.360 nan 0.000 0.452 203 Q N -0.258 119.412 119.800 -0.216 0.000 2.339 203 Q HA 0.033 4.537 4.340 0.274 0.000 0.205 203 Q C 1.696 177.591 176.000 -0.176 0.000 0.925 203 Q CA 0.842 56.553 55.803 -0.152 0.000 0.898 203 Q CB 0.565 29.233 28.738 -0.116 0.000 1.013 203 Q HN 0.369 nan 8.270 nan 0.000 0.504 204 Q N -0.916 118.733 119.800 -0.252 0.000 2.620 204 Q HA 0.089 4.593 4.340 0.274 0.000 0.232 204 Q C 2.152 177.841 176.000 -0.519 0.000 0.836 204 Q CA 0.333 55.975 55.803 -0.268 0.000 0.938 204 Q CB 0.643 29.301 28.738 -0.133 0.000 1.242 204 Q HN 0.046 nan 8.270 nan 0.000 0.624 205 V N 1.132 120.702 119.914 -0.572 0.000 2.270 205 V HA -0.207 4.078 4.120 0.274 0.000 0.245 205 V C 2.043 177.852 176.094 -0.475 0.000 1.043 205 V CA 1.782 63.660 62.300 -0.703 0.000 1.014 205 V CB -0.597 30.917 31.823 -0.515 0.000 0.645 205 V HN 0.204 nan 8.190 nan 0.000 0.447 206 F N 0.232 119.967 119.950 -0.359 0.000 2.126 206 F HA -0.031 4.663 4.527 0.278 0.000 0.299 206 F C 0.119 175.746 175.800 -0.289 0.000 1.096 206 F CA 0.862 58.679 58.000 -0.304 0.000 1.255 206 F CB -2.675 36.139 39.000 -0.310 0.000 0.997 206 F HN 0.294 nan 8.300 nan 0.000 0.479 207 P HA -0.104 nan 4.420 nan 0.000 0.217 207 P C 1.619 178.767 177.300 -0.253 0.000 1.150 207 P CA 2.156 65.160 63.100 -0.161 0.000 0.832 207 P CB -0.192 31.415 31.700 -0.155 0.000 0.787 208 A N -0.544 121.985 122.820 -0.486 0.000 1.972 208 A HA -0.137 4.347 4.320 0.274 0.000 0.219 208 A C 2.009 179.345 177.584 -0.413 0.000 1.169 208 A CA 1.397 53.018 52.037 -0.693 0.000 0.635 208 A CB -1.599 16.311 19.000 -1.817 0.000 0.810 208 A HN 0.163 nan 8.150 nan 0.000 0.446 209 L N -1.293 119.764 121.223 -0.277 0.000 2.591 209 L HA 0.217 4.722 4.340 0.274 0.000 0.228 209 L C 1.526 178.388 176.870 -0.014 0.000 1.133 209 L CA 0.451 55.258 54.840 -0.054 0.000 0.880 209 L CB -0.198 41.926 42.059 0.109 0.000 1.033 209 L HN 0.553 nan 8.230 nan 0.000 0.450 210 G N 1.033 109.796 108.800 -0.062 0.000 2.160 210 G HA2 -0.267 3.857 3.960 0.274 0.000 0.244 210 G HA3 -0.267 3.857 3.960 0.274 0.000 0.244 210 G C -0.014 174.859 174.900 -0.046 0.000 1.022 210 G CA -0.223 44.850 45.100 -0.045 0.000 0.741 210 G HN 0.244 nan 8.290 nan 0.000 0.508 211 L N -0.206 120.976 121.223 -0.068 0.000 2.277 211 L HA 0.482 4.986 4.340 0.274 0.000 0.284 211 L C 0.981 177.731 176.870 -0.201 0.000 1.028 211 L CA -0.513 54.244 54.840 -0.139 0.000 0.835 211 L CB 1.217 43.154 42.059 -0.204 0.000 1.215 211 L HN 0.226 nan 8.230 nan 0.000 0.425 212 E N 1.442 121.533 120.200 -0.182 0.000 2.498 212 E HA 0.050 4.564 4.350 0.274 0.000 0.203 212 E C 0.168 176.634 176.600 -0.224 0.000 1.013 212 E CA 0.119 56.419 56.400 -0.166 0.000 0.927 212 E CB 0.637 30.286 29.700 -0.086 0.000 1.012 212 E HN 0.642 nan 8.360 nan 0.000 0.482 213 Q N 0.441 120.051 119.800 -0.317 0.000 2.155 213 Q HA 0.190 4.694 4.340 0.274 0.000 0.273 213 Q C -0.752 174.872 176.000 -0.627 0.000 0.857 213 Q CA 0.051 55.659 55.803 -0.325 0.000 1.116 213 Q CB 1.541 30.188 28.738 -0.152 0.000 1.209 213 Q HN -0.103 nan 8.270 nan 0.000 0.460 214 T N 1.134 115.054 114.554 -1.055 0.000 2.881 214 T HA 0.437 4.951 4.350 0.274 0.000 0.291 214 T C -1.019 172.830 174.700 -1.417 0.000 0.990 214 T CA -0.637 60.751 62.100 -1.187 0.000 0.976 214 T CB 1.010 69.106 68.868 -1.287 0.000 0.970 214 T HN 0.171 nan 8.240 nan 0.000 0.438 215 H N 2.334 121.060 119.070 -0.574 0.000 2.930 215 H HA 0.399 5.118 4.556 0.273 0.000 0.371 215 H C 0.403 175.631 175.328 -0.165 0.000 1.169 215 H CA -0.747 55.134 56.048 -0.279 0.000 1.157 215 H CB 2.107 31.734 29.762 -0.225 0.000 1.789 215 H HN 0.364 nan 8.280 nan 0.000 0.547 216 L N 0.067 121.365 121.223 0.125 0.000 2.249 216 L HA 0.061 4.565 4.340 0.274 0.000 0.207 216 L C 0.244 177.129 176.870 0.026 0.000 1.090 216 L CA 1.001 55.880 54.840 0.064 0.000 0.802 216 L CB 0.316 42.423 42.059 0.080 0.000 0.947 216 L HN 0.422 nan 8.230 nan 0.000 0.453 217 D N 0.047 120.466 120.400 0.032 0.000 2.421 217 D HA 0.204 5.008 4.640 0.274 0.000 0.254 217 D C -0.678 175.579 176.300 -0.071 0.000 1.238 217 D CA -0.312 53.684 54.000 -0.008 0.000 0.919 217 D CB 1.545 42.344 40.800 -0.002 0.000 1.152 217 D HN -0.319 nan 8.370 nan 0.000 0.552 218 V N 5.301 125.132 119.914 -0.138 0.000 2.493 218 V HA 0.144 4.428 4.120 0.274 0.000 0.292 218 V C -1.633 174.300 176.094 -0.268 0.000 1.016 218 V CA -0.754 61.336 62.300 -0.350 0.000 1.097 218 V CB 0.324 31.967 31.823 -0.301 0.000 0.947 218 V HN 0.497 nan 8.190 nan 0.000 0.479 219 P HA 0.110 nan 4.420 nan 0.000 0.269 219 P C 0.943 178.162 177.300 -0.136 0.000 1.209 219 P CA -0.162 62.822 63.100 -0.193 0.000 0.776 219 P CB 0.630 32.217 31.700 -0.187 0.000 0.876 220 E N 1.619 121.773 120.200 -0.078 0.000 2.130 220 E HA -0.256 4.258 4.350 0.274 0.000 0.196 220 E C 1.763 178.333 176.600 -0.051 0.000 0.998 220 E CA 1.671 58.041 56.400 -0.050 0.000 0.806 220 E CB -0.339 29.340 29.700 -0.036 0.000 0.738 220 E HN 0.515 nan 8.360 nan 0.000 0.459 221 A N 0.632 123.417 122.820 -0.059 0.000 2.172 221 A HA 0.042 4.526 4.320 0.274 0.000 0.216 221 A C 2.052 179.603 177.584 -0.055 0.000 1.154 221 A CA 1.327 53.335 52.037 -0.048 0.000 0.701 221 A CB -0.084 18.890 19.000 -0.042 0.000 0.789 221 A HN 0.255 nan 8.150 nan 0.000 0.465 222 A N -1.098 121.670 122.820 -0.088 0.000 2.390 222 A HA 0.455 4.939 4.320 0.274 0.000 0.232 222 A C 1.635 179.185 177.584 -0.057 0.000 1.233 222 A CA -0.081 51.899 52.037 -0.095 0.000 0.907 222 A CB -0.243 18.637 19.000 -0.201 0.000 0.967 222 A HN 0.372 nan 8.150 nan 0.000 0.512 223 L N -0.647 120.560 121.223 -0.027 0.000 2.191 223 L HA -0.199 4.306 4.340 0.274 0.000 0.212 223 L C 2.890 179.787 176.870 0.046 0.000 1.103 223 L CA 1.060 55.924 54.840 0.041 0.000 0.769 223 L CB -0.374 41.700 42.059 0.025 0.000 0.908 223 L HN 0.462 nan 8.230 nan 0.000 0.438 224 A N -0.825 122.001 122.820 0.012 0.000 2.070 224 A HA -0.187 4.297 4.320 0.274 0.000 0.220 224 A C 2.139 179.733 177.584 0.016 0.000 1.159 224 A CA 1.199 53.241 52.037 0.008 0.000 0.656 224 A CB -0.201 18.797 19.000 -0.004 0.000 0.800 224 A HN 0.428 nan 8.150 nan 0.000 0.453 225 Q N -1.793 118.019 119.800 0.020 0.000 2.408 225 Q HA 0.040 4.544 4.340 0.274 0.000 0.205 225 Q C -0.409 175.615 176.000 0.040 0.000 0.919 225 Q CA 0.061 55.870 55.803 0.010 0.000 0.932 225 Q CB 0.035 28.767 28.738 -0.010 0.000 1.058 225 Q HN 0.667 nan 8.270 nan 0.000 0.517 226 Y N 2.142 122.395 120.300 -0.079 0.000 2.486 226 Y HA 0.339 5.053 4.550 0.272 0.000 0.348 226 Y C 0.046 175.905 175.900 -0.068 0.000 1.000 226 Y CA -1.643 56.406 58.100 -0.085 0.000 1.253 226 Y CB -0.136 38.282 38.460 -0.071 0.000 1.140 226 Y HN -0.008 nan 8.280 nan 0.000 0.526 227 A N 5.306 128.255 122.820 0.216 0.000 2.466 227 A HA 0.169 4.653 4.320 0.274 0.000 0.238 227 A C 0.135 177.809 177.584 0.150 0.000 1.074 227 A CA -0.384 51.707 52.037 0.089 0.000 0.774 227 A CB 0.066 18.997 19.000 -0.115 0.000 1.015 227 A HN 0.780 nan 8.150 nan 0.000 0.498 228 Q N 0.267 120.058 119.800 -0.016 0.000 2.327 228 Q HA 0.497 5.001 4.340 0.274 0.000 0.254 228 Q C 0.258 175.987 176.000 -0.451 0.000 0.952 228 Q CA 0.875 56.536 55.803 -0.237 0.000 0.884 228 Q CB 1.086 29.606 28.738 -0.364 0.000 1.224 228 Q HN 0.893 nan 8.270 nan 0.000 0.422 229 G N 2.150 110.604 108.800 -0.577 0.000 2.412 229 G HA2 0.525 4.650 3.960 0.274 0.000 0.318 229 G HA3 0.525 4.650 3.960 0.274 0.000 0.318 229 G C -1.542 172.876 174.900 -0.802 0.000 1.146 229 G CA -0.282 44.292 45.100 -0.877 0.000 0.882 229 G HN 0.553 nan 8.290 nan 0.000 0.501 230 Y N -0.145 120.014 120.300 -0.236 0.000 2.406 230 Y HA 0.592 5.305 4.550 0.271 0.000 0.340 230 Y C 0.786 176.650 175.900 -0.061 0.000 0.975 230 Y CA -0.250 57.784 58.100 -0.109 0.000 1.056 230 Y CB 2.514 40.919 38.460 -0.093 0.000 1.210 230 Y HN 0.811 nan 8.280 nan 0.000 0.448 231 G N 0.542 109.405 108.800 0.105 0.000 3.135 231 G HA2 0.543 4.667 3.960 0.274 0.000 0.159 231 G HA3 0.543 4.667 3.960 0.274 0.000 0.159 231 G C -0.629 174.318 174.900 0.077 0.000 1.244 231 G CA -0.739 44.407 45.100 0.078 0.000 0.965 231 G HN 0.606 nan 8.290 nan 0.000 0.599 232 K N -0.896 119.536 120.400 0.054 0.000 2.489 232 K HA 0.457 4.941 4.320 0.274 0.000 0.278 232 K C 0.798 177.424 176.600 0.043 0.000 1.000 232 K CA 1.454 57.767 56.287 0.043 0.000 1.012 232 K CB -1.466 31.053 32.500 0.033 0.000 0.903 232 K HN 2.211 nan 8.250 nan 0.000 0.485 233 D N 1.470 121.891 120.400 0.035 0.000 2.911 233 D HA -0.163 4.641 4.640 0.274 0.000 0.227 233 D C 0.510 176.840 176.300 0.049 0.000 1.164 233 D CA 1.333 55.352 54.000 0.032 0.000 0.782 233 D CB -2.310 38.506 40.800 0.026 0.000 1.094 233 D HN 1.141 nan 8.370 nan 0.000 0.425 234 D N -2.210 118.234 120.400 0.073 0.000 2.811 234 D HA -0.185 4.619 4.640 0.274 0.000 0.231 234 D C 0.919 177.341 176.300 0.203 0.000 1.157 234 D CA 1.651 55.744 54.000 0.155 0.000 0.716 234 D CB -2.020 38.819 40.800 0.064 0.000 1.077 234 D HN 1.637 nan 8.370 nan 0.000 0.428 235 R N -0.766 119.801 120.500 0.110 0.000 2.570 235 R HA 0.426 4.930 4.340 0.274 0.000 0.277 235 R C -2.441 173.864 176.300 0.008 0.000 1.039 235 R CA -1.070 55.066 56.100 0.059 0.000 1.065 235 R CB -0.512 29.805 30.300 0.029 0.000 0.964 235 R HN 0.106 nan 8.270 nan 0.000 0.428 236 P HA 0.316 nan 4.420 nan 0.000 0.280 236 P C -0.825 176.381 177.300 -0.157 0.000 1.244 236 P CA -0.405 62.561 63.100 -0.224 0.000 0.784 236 P CB 0.694 32.285 31.700 -0.181 0.000 0.913 237 L N 3.849 124.957 121.223 -0.190 0.000 2.504 237 L HA 0.462 4.966 4.340 0.274 0.000 0.265 237 L C 0.447 177.335 176.870 0.031 0.000 0.975 237 L CA -0.366 54.439 54.840 -0.058 0.000 0.864 237 L CB 2.052 44.103 42.059 -0.013 0.000 1.212 237 L HN 0.269 nan 8.230 nan 0.000 0.416 238 R N 1.290 121.811 120.500 0.035 0.000 2.732 238 R HA 0.575 5.079 4.340 0.274 0.000 0.278 238 R C -0.725 175.646 176.300 0.119 0.000 0.976 238 R CA -0.919 55.244 56.100 0.106 0.000 0.963 238 R CB 3.185 33.431 30.300 -0.090 0.000 1.150 238 R HN 0.261 nan 8.270 nan 0.000 0.478 239 V N 2.144 122.163 119.914 0.175 0.000 2.572 239 V HA 0.326 4.610 4.120 0.274 0.000 0.291 239 V C 0.297 176.474 176.094 0.139 0.000 1.039 239 V CA 0.415 62.817 62.300 0.169 0.000 1.055 239 V CB 1.004 32.956 31.823 0.217 0.000 0.969 239 V HN 0.891 nan 8.190 nan 0.000 0.482 240 G N 6.244 115.117 108.800 0.123 0.000 2.511 240 G HA2 0.654 4.778 3.960 0.274 0.000 0.316 240 G HA3 0.654 4.778 3.960 0.274 0.000 0.316 240 G C -2.733 172.236 174.900 0.114 0.000 1.210 240 G CA -1.328 43.828 45.100 0.093 0.000 0.969 240 G HN 0.691 nan 8.290 nan 0.000 0.492 241 P HA 0.440 nan 4.420 nan 0.000 0.268 241 P C 0.191 177.526 177.300 0.058 0.000 1.205 241 P CA 0.103 63.230 63.100 0.045 0.000 0.771 241 P CB 1.329 33.035 31.700 0.010 0.000 0.858 242 G N 1.859 110.687 108.800 0.045 0.000 2.677 242 G HA2 0.532 4.657 3.960 0.274 0.000 0.291 242 G HA3 0.532 4.657 3.960 0.274 0.000 0.291 242 G C -3.264 171.584 174.900 -0.088 0.000 1.435 242 G CA -1.344 43.780 45.100 0.039 0.000 0.826 242 G HN 0.251 nan 8.290 nan 0.000 0.491 243 P HA 0.163 nan 4.420 nan 0.000 0.267 243 P C 0.855 177.972 177.300 -0.305 0.000 1.205 243 P CA 0.331 63.147 63.100 -0.472 0.000 0.765 243 P CB 0.693 31.735 31.700 -1.097 0.000 0.828 244 L N 0.962 122.035 121.223 -0.250 0.000 3.737 244 L HA -0.289 4.216 4.340 0.274 0.000 0.418 244 L C 1.237 177.965 176.870 -0.237 0.000 1.216 244 L CA 0.781 55.526 54.840 -0.159 0.000 0.915 244 L CB -1.662 40.422 42.059 0.041 0.000 1.834 244 L HN 0.433 nan 8.230 nan 0.000 0.943 245 D N 0.159 120.343 120.400 -0.360 0.000 2.144 245 D HA -0.153 4.651 4.640 0.274 0.000 0.199 245 D C 1.945 177.859 176.300 -0.643 0.000 0.984 245 D CA 1.442 54.939 54.000 -0.838 0.000 0.834 245 D CB -0.022 40.410 40.800 -0.614 0.000 0.955 245 D HN 0.472 nan 8.370 nan 0.000 0.465 246 A N 0.872 123.508 122.820 -0.306 0.000 1.883 246 A HA -0.222 4.262 4.320 0.274 0.000 0.217 246 A C 2.151 179.667 177.584 -0.114 0.000 1.186 246 A CA 1.948 53.926 52.037 -0.099 0.000 0.624 246 A CB -0.702 18.365 19.000 0.112 0.000 0.822 246 A HN 0.202 nan 8.150 nan 0.000 0.444 247 E N -0.614 119.321 120.200 -0.441 0.000 2.106 247 E HA 0.013 4.528 4.350 0.274 0.000 0.192 247 E C 2.029 178.542 176.600 -0.143 0.000 0.984 247 E CA 1.187 57.249 56.400 -0.565 0.000 0.806 247 E CB -0.382 28.904 29.700 -0.691 0.000 0.750 247 E HN 0.564 nan 8.360 nan 0.000 0.458 248 G N -0.748 107.982 108.800 -0.116 0.000 2.510 248 G HA2 -0.084 4.040 3.960 0.274 0.000 0.212 248 G HA3 -0.084 4.040 3.960 0.274 0.000 0.212 248 G C 0.595 175.635 174.900 0.233 0.000 1.151 248 G CA 0.664 45.822 45.100 0.097 0.000 0.817 248 G HN 0.421 nan 8.290 nan 0.000 0.534 249 Y N -2.795 117.557 120.300 0.088 0.000 2.998 249 Y HA 0.437 5.150 4.550 0.272 0.000 0.264 249 Y C 1.409 177.354 175.900 0.076 0.000 1.092 249 Y CA -0.596 57.562 58.100 0.096 0.000 1.247 249 Y CB -0.199 38.320 38.460 0.098 0.000 1.283 249 Y HN -0.032 nan 8.280 nan 0.000 0.605 250 G N 0.782 109.553 108.800 -0.049 0.000 2.712 250 G HA2 0.163 4.287 3.960 0.274 0.000 0.212 250 G HA3 0.163 4.287 3.960 0.274 0.000 0.212 250 G C 0.130 175.026 174.900 -0.006 0.000 1.142 250 G CA 0.465 45.533 45.100 -0.054 0.000 0.789 250 G HN 0.145 nan 8.290 nan 0.000 0.535 251 V N 0.788 120.699 119.914 -0.006 0.000 2.530 251 V HA 0.333 4.617 4.120 0.274 0.000 0.282 251 V C -0.326 175.679 176.094 -0.147 0.000 1.048 251 V CA -0.331 61.897 62.300 -0.119 0.000 0.997 251 V CB 1.326 33.004 31.823 -0.241 0.000 0.987 251 V HN 0.144 nan 8.190 nan 0.000 0.477 252 K N 2.666 122.930 120.400 -0.228 0.000 2.274 252 K HA 0.729 5.213 4.320 0.274 0.000 0.262 252 K C -0.284 176.152 176.600 -0.274 0.000 0.961 252 K CA -0.240 55.877 56.287 -0.283 0.000 0.833 252 K CB 1.959 34.181 32.500 -0.462 0.000 1.102 252 K HN 0.778 nan 8.250 nan 0.000 0.436 253 T N -0.024 114.423 114.554 -0.179 0.000 2.792 253 T HA 0.508 5.022 4.350 0.274 0.000 0.303 253 T C -1.104 173.603 174.700 0.012 0.000 1.310 253 T CA -0.737 61.264 62.100 -0.165 0.000 1.007 253 T CB 0.909 69.649 68.868 -0.213 0.000 1.335 253 T HN 0.590 nan 8.240 nan 0.000 0.504 254 S N 1.136 116.841 115.700 0.008 0.000 2.672 254 S HA 0.688 5.322 4.470 0.274 0.000 0.276 254 S C 1.697 176.374 174.600 0.128 0.000 1.207 254 S CA -0.120 58.145 58.200 0.109 0.000 1.002 254 S CB 1.068 64.282 63.200 0.022 0.000 0.998 254 S HN 1.051 nan 8.310 nan 0.000 0.542 255 A N 1.379 124.298 122.820 0.164 0.000 1.933 255 A HA 0.150 4.634 4.320 0.274 0.000 0.218 255 A C 2.334 180.006 177.584 0.147 0.000 1.175 255 A CA 1.772 53.900 52.037 0.151 0.000 0.628 255 A CB -1.649 17.452 19.000 0.168 0.000 0.814 255 A HN 1.323 nan 8.150 nan 0.000 0.444 256 A N -0.222 122.614 122.820 0.025 0.000 1.902 256 A HA -0.176 4.309 4.320 0.274 0.000 0.217 256 A C 1.845 179.484 177.584 0.093 0.000 1.181 256 A CA 2.037 54.090 52.037 0.027 0.000 0.623 256 A CB -0.606 18.251 19.000 -0.239 0.000 0.818 256 A HN 0.435 nan 8.150 nan 0.000 0.443 257 D N -0.843 119.579 120.400 0.038 0.000 2.117 257 D HA -0.082 4.722 4.640 0.274 0.000 0.198 257 D C 1.777 178.155 176.300 0.131 0.000 0.982 257 D CA 0.768 54.788 54.000 0.033 0.000 0.828 257 D CB -0.197 40.554 40.800 -0.082 0.000 0.967 257 D HN 0.258 nan 8.370 nan 0.000 0.464 258 L N 0.223 121.544 121.223 0.163 0.000 2.083 258 L HA -0.054 4.450 4.340 0.274 0.000 0.209 258 L C 1.984 179.013 176.870 0.266 0.000 1.083 258 L CA 1.159 56.163 54.840 0.273 0.000 0.752 258 L CB -0.572 41.639 42.059 0.253 0.000 0.899 258 L HN 0.061 nan 8.230 nan 0.000 0.433 259 L N -0.649 120.697 121.223 0.205 0.000 2.083 259 L HA -0.170 4.334 4.340 0.274 0.000 0.209 259 L C 2.660 179.601 176.870 0.118 0.000 1.083 259 L CA 1.523 56.457 54.840 0.158 0.000 0.752 259 L CB -0.463 41.710 42.059 0.190 0.000 0.899 259 L HN 0.202 nan 8.230 nan 0.000 0.433 260 R N -1.717 118.870 120.500 0.144 0.000 2.091 260 R HA -0.226 4.278 4.340 0.274 0.000 0.238 260 R C 2.212 178.601 176.300 0.149 0.000 1.136 260 R CA 1.868 58.038 56.100 0.118 0.000 0.959 260 R CB -0.655 29.708 30.300 0.105 0.000 0.856 260 R HN 0.344 nan 8.270 nan 0.000 0.437 261 F N 1.003 120.979 119.950 0.043 0.000 2.146 261 F HA -0.149 4.539 4.527 0.269 0.000 0.298 261 F C 1.967 177.721 175.800 -0.077 0.000 1.096 261 F CA 1.036 59.048 58.000 0.019 0.000 1.275 261 F CB -0.315 38.724 39.000 0.066 0.000 1.008 261 F HN -0.280 nan 8.300 nan 0.000 0.480 262 V N 0.444 120.253 119.914 -0.174 0.000 2.343 262 V HA -0.301 3.983 4.120 0.274 0.000 0.247 262 V C 2.166 177.974 176.094 -0.477 0.000 1.051 262 V CA 2.236 64.248 62.300 -0.479 0.000 1.036 262 V CB -0.701 30.967 31.823 -0.259 0.000 0.654 262 V HN 0.271 nan 8.190 nan 0.000 0.451 263 D N 0.245 120.521 120.400 -0.208 0.000 2.144 263 D HA -0.100 4.704 4.640 0.274 0.000 0.200 263 D C 2.243 178.480 176.300 -0.105 0.000 0.978 263 D CA 1.540 55.469 54.000 -0.118 0.000 0.833 263 D CB -0.190 40.598 40.800 -0.020 0.000 0.961 263 D HN 0.445 nan 8.370 nan 0.000 0.470 264 A N 1.155 123.908 122.820 -0.112 0.000 1.933 264 A HA -0.193 4.291 4.320 0.274 0.000 0.218 264 A C 2.017 179.500 177.584 -0.167 0.000 1.175 264 A CA 1.208 53.202 52.037 -0.071 0.000 0.628 264 A CB -0.481 18.524 19.000 0.008 0.000 0.814 264 A HN 0.183 nan 8.150 nan 0.000 0.444 265 N N -0.198 118.251 118.700 -0.418 0.000 2.188 265 N HA -0.056 4.848 4.740 0.274 0.000 0.184 265 N C 1.646 176.905 175.510 -0.419 0.000 1.018 265 N CA 1.242 54.012 53.050 -0.466 0.000 0.858 265 N CB -0.212 37.646 38.487 -1.049 0.000 0.989 265 N HN 0.485 nan 8.380 nan 0.000 0.426 266 L N -0.302 120.618 121.223 -0.506 0.000 2.217 266 L HA -0.064 4.440 4.340 0.274 0.000 0.211 266 L C 0.389 176.913 176.870 -0.576 0.000 1.107 266 L CA 0.929 55.489 54.840 -0.466 0.000 0.783 266 L CB -0.062 41.779 42.059 -0.363 0.000 0.919 266 L HN 0.195 nan 8.230 nan 0.000 0.442 267 H N -1.665 117.345 119.070 -0.100 0.000 2.439 267 H HA 0.196 4.914 4.556 0.271 0.000 0.228 267 H C -1.875 173.446 175.328 -0.010 0.000 1.423 267 H CA -1.318 54.705 56.048 -0.041 0.000 1.386 267 H CB 0.844 30.582 29.762 -0.040 0.000 1.641 267 H HN -0.024 nan 8.280 nan 0.000 0.508 268 P HA -0.171 nan 4.420 nan 0.000 0.219 268 P C 1.737 179.096 177.300 0.098 0.000 1.146 268 P CA 1.017 64.167 63.100 0.083 0.000 0.808 268 P CB 0.388 32.131 31.700 0.071 0.000 0.779 269 E N 0.580 120.839 120.200 0.099 0.000 2.409 269 E HA -0.176 4.338 4.350 0.274 0.000 0.198 269 E C 1.440 178.088 176.600 0.080 0.000 1.024 269 E CA 0.955 57.408 56.400 0.087 0.000 0.861 269 E CB -0.607 29.144 29.700 0.084 0.000 0.788 269 E HN 0.295 nan 8.360 nan 0.000 0.521 270 R N -0.028 120.524 120.500 0.087 0.000 2.299 270 R HA 0.186 4.690 4.340 0.274 0.000 0.197 270 R C 0.200 176.538 176.300 0.064 0.000 0.971 270 R CA -0.006 56.128 56.100 0.056 0.000 1.030 270 R CB 0.073 30.393 30.300 0.035 0.000 0.932 270 R HN 0.073 nan 8.270 nan 0.000 0.477 271 L N 0.584 121.863 121.223 0.092 0.000 2.352 271 L HA 0.161 4.665 4.340 0.274 0.000 0.269 271 L C 0.135 177.087 176.870 0.137 0.000 1.034 271 L CA -0.541 54.370 54.840 0.118 0.000 0.806 271 L CB 0.803 42.961 42.059 0.165 0.000 1.244 271 L HN -0.108 nan 8.230 nan 0.000 0.447 272 D N 0.634 121.132 120.400 0.163 0.000 2.506 272 D HA -0.059 4.745 4.640 0.274 0.000 0.234 272 D C 1.105 177.512 176.300 0.180 0.000 1.143 272 D CA 0.245 54.347 54.000 0.170 0.000 0.871 272 D CB 0.687 41.613 40.800 0.211 0.000 1.190 272 D HN 0.424 nan 8.370 nan 0.000 0.459 273 R N 2.531 123.098 120.500 0.111 0.000 2.096 273 R HA -0.159 4.345 4.340 0.274 0.000 0.240 273 R C -0.831 175.495 176.300 0.043 0.000 1.139 273 R CA 1.575 57.718 56.100 0.070 0.000 0.952 273 R CB -0.717 29.605 30.300 0.038 0.000 0.854 273 R HN 0.343 nan 8.270 nan 0.000 0.436 274 P HA -0.155 nan 4.420 nan 0.000 0.216 274 P C 0.227 177.405 177.300 -0.203 0.000 1.150 274 P CA 1.385 64.405 63.100 -0.134 0.000 0.837 274 P CB -0.141 31.463 31.700 -0.160 0.000 0.786 275 W N -0.490 120.894 121.300 0.141 0.000 2.523 275 W HA 0.167 4.992 4.660 0.275 0.000 0.278 275 W C 2.557 179.125 176.519 0.082 0.000 1.236 275 W CA 0.632 58.044 57.345 0.112 0.000 1.306 275 W CB -1.042 28.451 29.460 0.055 0.000 1.101 275 W HN -0.140 nan 8.180 nan 0.000 0.577 276 A N 0.573 123.532 122.820 0.230 0.000 1.883 276 A HA -0.296 4.188 4.320 0.274 0.000 0.217 276 A C 1.857 179.490 177.584 0.082 0.000 1.186 276 A CA 1.966 54.086 52.037 0.138 0.000 0.624 276 A CB -0.836 18.226 19.000 0.103 0.000 0.822 276 A HN 0.420 nan 8.150 nan 0.000 0.444 277 Q N -0.810 119.018 119.800 0.048 0.000 2.119 277 Q HA -0.043 4.461 4.340 0.274 0.000 0.201 277 Q C 2.421 178.430 176.000 0.014 0.000 0.972 277 Q CA 1.197 57.005 55.803 0.009 0.000 0.847 277 Q CB -0.379 28.340 28.738 -0.032 0.000 0.903 277 Q HN 0.695 nan 8.270 nan 0.000 0.433 278 A N 0.915 123.761 122.820 0.044 0.000 1.877 278 A HA -0.170 4.315 4.320 0.274 0.000 0.216 278 A C 2.062 179.713 177.584 0.111 0.000 1.186 278 A CA 1.164 53.259 52.037 0.097 0.000 0.620 278 A CB -0.664 18.446 19.000 0.183 0.000 0.822 278 A HN 0.280 nan 8.150 nan 0.000 0.443 279 L N -0.558 120.728 121.223 0.105 0.000 2.056 279 L HA -0.180 4.324 4.340 0.274 0.000 0.207 279 L C 2.093 178.772 176.870 -0.318 0.000 1.078 279 L CA 1.374 56.196 54.840 -0.030 0.000 0.749 279 L CB -0.634 41.428 42.059 0.006 0.000 0.901 279 L HN 0.276 nan 8.230 nan 0.000 0.433 280 D N 0.299 120.592 120.400 -0.178 0.000 2.149 280 D HA -0.183 4.621 4.640 0.274 0.000 0.198 280 D C 2.193 178.429 176.300 -0.106 0.000 0.990 280 D CA 1.486 55.390 54.000 -0.159 0.000 0.839 280 D CB -0.022 40.769 40.800 -0.015 0.000 0.948 280 D HN 0.334 nan 8.370 nan 0.000 0.460 281 A N 0.340 123.142 122.820 -0.030 0.000 2.070 281 A HA -0.117 4.367 4.320 0.274 0.000 0.220 281 A C 2.137 179.789 177.584 0.113 0.000 1.159 281 A CA 1.943 54.017 52.037 0.062 0.000 0.656 281 A CB -0.644 18.408 19.000 0.086 0.000 0.800 281 A HN 0.354 nan 8.150 nan 0.000 0.453 282 T N -4.004 110.584 114.554 0.057 0.000 3.129 282 T HA 0.089 4.603 4.350 0.274 0.000 0.251 282 T C 0.526 175.452 174.700 0.376 0.000 1.117 282 T CA 0.602 62.845 62.100 0.239 0.000 1.034 282 T CB -0.686 68.405 68.868 0.371 0.000 0.968 282 T HN 0.680 nan 8.240 nan 0.000 0.526 283 H N 0.815 119.986 119.070 0.168 0.000 2.502 283 H HA 0.437 5.157 4.556 0.274 0.000 0.268 283 H C -0.211 175.114 175.328 -0.005 0.000 1.177 283 H CA -0.917 55.171 56.048 0.066 0.000 0.961 283 H CB 0.384 30.157 29.762 0.017 0.000 1.737 283 H HN 0.099 nan 8.280 nan 0.000 0.569 284 R N 0.809 121.358 120.500 0.082 0.000 2.502 284 R HA 0.357 4.861 4.340 0.274 0.000 0.300 284 R C -0.236 175.859 176.300 -0.342 0.000 0.984 284 R CA -0.817 55.198 56.100 -0.141 0.000 0.882 284 R CB 2.221 32.433 30.300 -0.147 0.000 1.180 284 R HN 0.242 nan 8.270 nan 0.000 0.444 285 G N 1.060 109.617 108.800 -0.405 0.000 2.367 285 G HA2 0.333 4.457 3.960 0.274 0.000 0.314 285 G HA3 0.333 4.457 3.960 0.274 0.000 0.314 285 G C -0.442 174.099 174.900 -0.599 0.000 1.130 285 G CA -0.201 44.671 45.100 -0.381 0.000 0.864 285 G HN 0.614 nan 8.290 nan 0.000 0.486 286 Y N 0.329 120.539 120.300 -0.151 0.000 2.535 286 Y HA 0.256 4.970 4.550 0.273 0.000 0.264 286 Y C 0.290 176.213 175.900 0.039 0.000 1.087 286 Y CA 0.068 58.130 58.100 -0.064 0.000 1.285 286 Y CB 0.518 38.951 38.460 -0.044 0.000 1.200 286 Y HN 0.669 nan 8.280 nan 0.000 0.514 287 Y N -2.587 117.782 120.300 0.115 0.000 2.713 287 Y HA 0.655 5.370 4.550 0.274 0.000 0.335 287 Y C -1.603 174.319 175.900 0.037 0.000 1.222 287 Y CA -2.603 55.540 58.100 0.072 0.000 1.061 287 Y CB 0.840 39.353 38.460 0.088 0.000 1.314 287 Y HN -0.357 nan 8.280 nan 0.000 0.453 288 K N 1.381 121.981 120.400 0.333 0.000 2.259 288 K HA 0.776 5.260 4.320 0.274 0.000 0.252 288 K C -1.715 175.054 176.600 0.281 0.000 0.936 288 K CA -1.238 55.175 56.287 0.209 0.000 0.810 288 K CB 2.870 35.424 32.500 0.090 0.000 1.143 288 K HN 0.529 nan 8.250 nan 0.000 0.427 289 V N 2.643 122.679 119.914 0.204 0.000 2.409 289 V HA 0.363 4.648 4.120 0.274 0.000 0.290 289 V C 0.715 176.859 176.094 0.082 0.000 1.017 289 V CA 0.005 62.391 62.300 0.143 0.000 0.841 289 V CB 0.650 32.553 31.823 0.132 0.000 1.003 289 V HN 1.136 nan 8.190 nan 0.000 0.426 290 G N 4.969 113.822 108.800 0.090 0.000 2.622 290 G HA2 -0.302 3.822 3.960 0.274 0.000 0.307 290 G HA3 -0.302 3.822 3.960 0.274 0.000 0.307 290 G C 0.538 175.482 174.900 0.073 0.000 1.226 290 G CA 0.760 45.911 45.100 0.084 0.000 0.997 290 G HN 0.621 nan 8.290 nan 0.000 0.551 291 D N 0.813 121.276 120.400 0.104 0.000 2.355 291 D HA 0.094 4.898 4.640 0.274 0.000 0.218 291 D C 1.248 177.522 176.300 -0.043 0.000 1.004 291 D CA 0.465 54.541 54.000 0.126 0.000 0.880 291 D CB 0.093 41.061 40.800 0.281 0.000 0.911 291 D HN 0.267 nan 8.370 nan 0.000 0.528 292 M N 1.239 120.743 119.600 -0.160 0.000 2.238 292 M HA 0.186 4.830 4.480 0.274 0.000 0.350 292 M C -0.922 175.219 176.300 -0.266 0.000 1.138 292 M CA -0.002 54.995 55.300 -0.506 0.000 1.040 292 M CB 1.452 33.833 32.600 -0.365 0.000 1.639 292 M HN -0.320 nan 8.290 nan 0.000 0.451 293 T N 4.280 118.643 114.554 -0.319 0.000 2.771 293 T HA 0.311 4.825 4.350 0.274 0.000 0.281 293 T C -0.464 174.097 174.700 -0.231 0.000 0.982 293 T CA -0.382 61.589 62.100 -0.214 0.000 0.978 293 T CB 1.079 69.844 68.868 -0.173 0.000 0.930 293 T HN 0.597 nan 8.240 nan 0.000 0.447 294 Q N 2.304 121.901 119.800 -0.337 0.000 2.296 294 Q HA 0.579 5.083 4.340 0.274 0.000 0.257 294 Q C 0.277 176.163 176.000 -0.190 0.000 0.942 294 Q CA -0.194 55.414 55.803 -0.326 0.000 0.939 294 Q CB 0.571 28.867 28.738 -0.735 0.000 1.198 294 Q HN 0.850 nan 8.270 nan 0.000 0.429 295 G N 2.768 111.564 108.800 -0.007 0.000 2.671 295 G HA2 0.486 4.611 3.960 0.274 0.000 0.275 295 G HA3 0.486 4.611 3.960 0.274 0.000 0.275 295 G C -0.916 174.057 174.900 0.123 0.000 1.368 295 G CA -0.929 44.243 45.100 0.121 0.000 1.044 295 G HN 0.623 nan 8.290 nan 0.000 0.543 296 L N 1.340 122.671 121.223 0.180 0.000 2.342 296 L HA 0.383 4.887 4.340 0.274 0.000 0.285 296 L C 1.553 178.481 176.870 0.096 0.000 1.095 296 L CA 0.705 55.597 54.840 0.086 0.000 0.843 296 L CB 0.211 42.364 42.059 0.157 0.000 1.201 296 L HN 1.066 nan 8.230 nan 0.000 0.445 297 G N 2.633 111.446 108.800 0.022 0.000 4.655 297 G HA2 -0.308 3.816 3.960 0.274 0.000 0.220 297 G HA3 -0.308 3.816 3.960 0.274 0.000 0.220 297 G C -0.047 174.822 174.900 -0.053 0.000 1.403 297 G CA -0.101 44.963 45.100 -0.059 0.000 0.931 297 G HN 0.551 nan 8.290 nan 0.000 0.654 298 W N 2.494 123.899 121.300 0.175 0.000 2.170 298 W HA 0.590 5.410 4.660 0.267 0.000 0.336 298 W C 0.698 177.256 176.519 0.065 0.000 1.283 298 W CA -0.292 57.128 57.345 0.125 0.000 1.224 298 W CB 0.475 30.005 29.460 0.117 0.000 1.132 298 W HN 0.303 nan 8.180 nan 0.000 0.571 299 E N 1.563 121.956 120.200 0.322 0.000 2.199 299 E HA 0.655 5.169 4.350 0.274 0.000 0.269 299 E C -0.750 175.868 176.600 0.029 0.000 0.899 299 E CA -0.906 55.570 56.400 0.127 0.000 0.772 299 E CB 1.761 31.553 29.700 0.153 0.000 1.155 299 E HN 0.435 nan 8.360 nan 0.000 0.408 300 A N 2.875 125.582 122.820 -0.188 0.000 2.374 300 A HA 0.725 5.209 4.320 0.274 0.000 0.317 300 A C -1.633 175.667 177.584 -0.473 0.000 1.094 300 A CA -0.484 51.423 52.037 -0.215 0.000 0.765 300 A CB 0.675 19.571 19.000 -0.172 0.000 1.268 300 A HN 0.566 nan 8.150 nan 0.000 0.438 301 Y N 0.286 120.576 120.300 -0.017 0.000 2.545 301 Y HA 0.370 5.086 4.550 0.276 0.000 0.348 301 Y C -0.173 175.774 175.900 0.078 0.000 1.002 301 Y CA -0.891 57.241 58.100 0.054 0.000 1.039 301 Y CB 1.501 40.030 38.460 0.116 0.000 1.271 301 Y HN 0.628 nan 8.280 nan 0.000 0.467 302 D N 1.140 121.681 120.400 0.235 0.000 2.423 302 D HA -0.067 4.737 4.640 0.274 0.000 0.238 302 D C -0.825 175.680 176.300 0.341 0.000 1.142 302 D CA 0.545 54.667 54.000 0.203 0.000 0.884 302 D CB 0.729 41.605 40.800 0.126 0.000 1.199 302 D HN 0.514 nan 8.370 nan 0.000 0.438 303 W N 3.283 124.594 121.300 0.019 0.000 2.781 303 W HA 0.238 5.062 4.660 0.274 0.000 0.333 303 W C -2.514 173.999 176.519 -0.010 0.000 1.047 303 W CA -1.799 55.547 57.345 0.003 0.000 1.236 303 W CB 2.008 31.450 29.460 -0.030 0.000 1.394 303 W HN 0.242 nan 8.180 nan 0.000 0.466 304 P HA 0.423 nan 4.420 nan 0.000 0.274 304 P C -1.203 175.897 177.300 -0.333 0.000 1.237 304 P CA -0.076 62.465 63.100 -0.932 0.000 0.793 304 P CB 2.506 33.740 31.700 -0.776 0.000 0.977 305 I N -0.161 120.253 120.570 -0.261 0.000 3.006 305 I HA 0.228 4.562 4.170 0.274 0.000 0.306 305 I C -0.133 176.024 176.117 0.065 0.000 1.250 305 I CA -0.840 60.466 61.300 0.010 0.000 0.996 305 I CB 2.322 40.429 38.000 0.178 0.000 1.261 305 I HN 0.494 nan 8.210 nan 0.000 0.442 306 S N 4.681 120.399 115.700 0.029 0.000 2.579 306 S HA 0.057 4.691 4.470 0.274 0.000 0.275 306 S C 0.917 175.413 174.600 -0.172 0.000 1.345 306 S CA -0.392 57.787 58.200 -0.036 0.000 1.031 306 S CB 1.239 64.397 63.200 -0.070 0.000 0.892 306 S HN 0.683 nan 8.310 nan 0.000 0.529 307 L N 2.166 123.010 121.223 -0.632 0.000 2.042 307 L HA -0.072 4.432 4.340 0.274 0.000 0.210 307 L C 2.343 178.996 176.870 -0.363 0.000 1.076 307 L CA 1.898 56.215 54.840 -0.871 0.000 0.749 307 L CB -1.029 40.353 42.059 -1.128 0.000 0.893 307 L HN 0.870 nan 8.230 nan 0.000 0.432 308 K N -0.856 119.392 120.400 -0.252 0.000 2.103 308 K HA -0.171 4.313 4.320 0.274 0.000 0.207 308 K C 2.217 178.753 176.600 -0.108 0.000 1.048 308 K CA 1.665 57.861 56.287 -0.152 0.000 0.930 308 K CB -0.181 32.254 32.500 -0.109 0.000 0.716 308 K HN 0.366 nan 8.250 nan 0.000 0.444 309 R N 0.365 120.813 120.500 -0.086 0.000 2.092 309 R HA -0.087 4.417 4.340 0.274 0.000 0.231 309 R C 2.291 178.536 176.300 -0.091 0.000 1.119 309 R CA 0.791 56.868 56.100 -0.037 0.000 0.970 309 R CB -0.284 30.026 30.300 0.017 0.000 0.864 309 R HN 0.083 nan 8.270 nan 0.000 0.440 310 L N 1.422 122.548 121.223 -0.161 0.000 2.093 310 L HA -0.163 4.341 4.340 0.274 0.000 0.208 310 L C 1.996 178.724 176.870 -0.237 0.000 1.085 310 L CA 1.740 56.390 54.840 -0.316 0.000 0.755 310 L CB -0.302 41.663 42.059 -0.156 0.000 0.904 310 L HN 0.127 nan 8.230 nan 0.000 0.435 311 Q N -0.882 118.814 119.800 -0.174 0.000 2.084 311 Q HA -0.161 4.343 4.340 0.274 0.000 0.202 311 Q C 2.278 178.218 176.000 -0.101 0.000 0.978 311 Q CA 1.600 57.314 55.803 -0.149 0.000 0.844 311 Q CB -0.376 28.276 28.738 -0.143 0.000 0.898 311 Q HN 0.667 nan 8.270 nan 0.000 0.426 312 A N 0.891 123.669 122.820 -0.070 0.000 1.940 312 A HA -0.131 4.353 4.320 0.274 0.000 0.219 312 A C 2.268 179.856 177.584 0.006 0.000 1.176 312 A CA 1.651 53.675 52.037 -0.023 0.000 0.631 312 A CB -1.147 17.854 19.000 0.002 0.000 0.814 312 A HN 0.491 nan 8.150 nan 0.000 0.446 313 G N -0.874 107.948 108.800 0.036 0.000 2.471 313 G HA2 -0.146 3.978 3.960 0.274 0.000 0.219 313 G HA3 -0.146 3.978 3.960 0.274 0.000 0.219 313 G C 0.949 175.905 174.900 0.093 0.000 1.125 313 G CA 0.707 45.902 45.100 0.159 0.000 0.775 313 G HN 0.539 nan 8.290 nan 0.000 0.548 314 N N 0.438 119.135 118.700 -0.005 0.000 2.328 314 N HA 0.106 5.010 4.740 0.274 0.000 0.247 314 N C 0.290 175.748 175.510 -0.087 0.000 1.165 314 N CA 0.082 53.104 53.050 -0.047 0.000 0.873 314 N CB 0.948 39.391 38.487 -0.074 0.000 1.125 314 N HN 0.366 nan 8.380 nan 0.000 0.513 315 S N -1.423 114.237 115.700 -0.067 0.000 2.713 315 S HA 0.311 4.946 4.470 0.274 0.000 0.283 315 S C 1.443 176.010 174.600 -0.055 0.000 1.161 315 S CA -0.368 57.796 58.200 -0.060 0.000 0.999 315 S CB 1.614 64.794 63.200 -0.033 0.000 1.039 315 S HN -0.004 nan 8.310 nan 0.000 0.548 316 T N 2.549 117.080 114.554 -0.038 0.000 2.684 316 T HA -0.000 4.514 4.350 0.274 0.000 0.267 316 T C -1.037 173.669 174.700 0.009 0.000 1.036 316 T CA 1.801 63.888 62.100 -0.023 0.000 1.148 316 T CB -1.552 67.309 68.868 -0.012 0.000 0.863 316 T HN 0.579 nan 8.240 nan 0.000 0.436 317 P HA 0.007 nan 4.420 nan 0.000 0.218 317 P C 1.545 178.946 177.300 0.169 0.000 1.149 317 P CA 0.729 63.885 63.100 0.092 0.000 0.817 317 P CB -0.100 31.654 31.700 0.090 0.000 0.785 318 M N 0.155 119.796 119.600 0.069 0.000 2.117 318 M HA -0.082 4.562 4.480 0.274 0.000 0.262 318 M C 1.907 178.175 176.300 -0.054 0.000 1.065 318 M CA 1.900 57.165 55.300 -0.058 0.000 1.114 318 M CB -1.335 31.200 32.600 -0.109 0.000 1.361 318 M HN -0.125 nan 8.290 nan 0.000 0.408 319 A N -0.637 122.143 122.820 -0.068 0.000 1.929 319 A HA 0.014 4.498 4.320 0.274 0.000 0.216 319 A C 2.058 179.680 177.584 0.064 0.000 1.176 319 A CA 1.407 53.383 52.037 -0.102 0.000 0.628 319 A CB -0.729 18.151 19.000 -0.200 0.000 0.816 319 A HN 0.554 nan 8.150 nan 0.000 0.444 320 L N -1.292 119.981 121.223 0.084 0.000 2.554 320 L HA 0.130 4.635 4.340 0.274 0.000 0.225 320 L C 0.422 177.368 176.870 0.127 0.000 1.104 320 L CA 0.112 55.014 54.840 0.102 0.000 0.866 320 L CB 0.012 42.113 42.059 0.070 0.000 1.047 320 L HN 0.413 nan 8.230 nan 0.000 0.468 321 Q N 0.683 120.584 119.800 0.168 0.000 2.345 321 Q HA 0.386 4.890 4.340 0.274 0.000 0.268 321 Q C -2.424 173.694 176.000 0.197 0.000 1.054 321 Q CA -2.114 53.767 55.803 0.131 0.000 0.835 321 Q CB 2.014 30.777 28.738 0.041 0.000 1.339 321 Q HN -0.148 nan 8.270 nan 0.000 0.447 322 P HA 0.058 nan 4.420 nan 0.000 0.276 322 P C -1.177 176.087 177.300 -0.060 0.000 1.230 322 P CA 0.159 63.309 63.100 0.084 0.000 0.776 322 P CB 0.812 32.513 31.700 0.002 0.000 0.888 323 H N 0.596 119.646 119.070 -0.033 0.000 2.609 323 H HA 0.402 5.123 4.556 0.275 0.000 0.344 323 H C 0.743 176.014 175.328 -0.096 0.000 1.040 323 H CA -0.772 55.251 56.048 -0.042 0.000 1.216 323 H CB 1.573 31.343 29.762 0.013 0.000 1.529 323 H HN 0.455 nan 8.280 nan 0.000 0.519 324 R N 2.987 123.470 120.500 -0.028 0.000 2.570 324 R HA 0.237 4.741 4.340 0.274 0.000 0.277 324 R C 0.525 176.796 176.300 -0.049 0.000 1.039 324 R CA -0.078 55.978 56.100 -0.073 0.000 1.065 324 R CB -1.085 29.173 30.300 -0.070 0.000 0.964 324 R HN 0.713 nan 8.270 nan 0.000 0.428 325 I N -0.831 119.660 120.570 -0.132 0.000 2.577 325 I HA 0.731 5.065 4.170 0.274 0.000 0.300 325 I C 0.415 176.505 176.117 -0.045 0.000 0.990 325 I CA -0.801 60.394 61.300 -0.175 0.000 1.283 325 I CB 2.388 40.034 38.000 -0.589 0.000 1.411 325 I HN 0.647 nan 8.210 nan 0.000 0.515 326 A N 5.701 128.550 122.820 0.048 0.000 2.412 326 A HA 0.429 4.913 4.320 0.274 0.000 0.334 326 A C 0.160 177.823 177.584 0.130 0.000 1.419 326 A CA -0.658 51.423 52.037 0.073 0.000 0.930 326 A CB 0.177 19.222 19.000 0.075 0.000 1.149 326 A HN 0.854 nan 8.150 nan 0.000 0.515 327 R N 2.287 122.851 120.500 0.107 0.000 2.590 327 R HA 0.350 4.854 4.340 0.274 0.000 0.274 327 R C -0.605 175.768 176.300 0.121 0.000 1.061 327 R CA -0.098 56.095 56.100 0.154 0.000 1.081 327 R CB 0.302 30.671 30.300 0.114 0.000 0.984 327 R HN 0.712 nan 8.270 nan 0.000 0.448 328 L N 6.384 127.685 121.223 0.130 0.000 2.395 328 L HA 0.250 4.754 4.340 0.274 0.000 0.269 328 L C -0.891 176.018 176.870 0.066 0.000 1.133 328 L CA -1.698 53.185 54.840 0.073 0.000 0.812 328 L CB 1.093 43.172 42.059 0.034 0.000 1.125 328 L HN 0.649 nan 8.230 nan 0.000 0.452 329 P HA -0.042 nan 4.420 nan 0.000 0.220 329 P C -0.055 177.269 177.300 0.040 0.000 1.148 329 P CA 0.805 63.928 63.100 0.040 0.000 0.803 329 P CB 0.409 32.125 31.700 0.027 0.000 0.782 330 A N -0.941 121.895 122.820 0.027 0.000 2.612 330 A HA 0.623 5.107 4.320 0.274 0.000 0.293 330 A C -3.046 174.521 177.584 -0.028 0.000 1.075 330 A CA -1.540 50.508 52.037 0.019 0.000 0.680 330 A CB 0.363 19.369 19.000 0.010 0.000 1.279 330 A HN -0.218 nan 8.150 nan 0.000 0.411 331 P HA 0.210 nan 4.420 nan 0.000 0.265 331 P C -0.759 176.428 177.300 -0.188 0.000 1.193 331 P CA 0.329 63.279 63.100 -0.250 0.000 0.765 331 P CB 0.423 31.972 31.700 -0.253 0.000 0.823 332 Q N 2.138 121.799 119.800 -0.232 0.000 2.293 332 Q HA 0.585 5.089 4.340 0.274 0.000 0.261 332 Q C -0.733 175.187 176.000 -0.133 0.000 0.960 332 Q CA -0.936 54.782 55.803 -0.142 0.000 0.882 332 Q CB 1.060 29.726 28.738 -0.119 0.000 1.275 332 Q HN 0.525 nan 8.270 nan 0.000 0.445 333 A N 4.933 127.705 122.820 -0.081 0.000 2.491 333 A HA 0.221 4.706 4.320 0.274 0.000 0.261 333 A C -0.374 177.173 177.584 -0.062 0.000 1.101 333 A CA -0.101 51.904 52.037 -0.053 0.000 0.772 333 A CB -0.152 18.830 19.000 -0.031 0.000 1.043 333 A HN 0.834 nan 8.150 nan 0.000 0.501 334 L N 4.124 125.315 121.223 -0.054 0.000 2.389 334 L HA 0.329 4.833 4.340 0.274 0.000 0.265 334 L C 0.570 177.348 176.870 -0.153 0.000 1.167 334 L CA -0.051 54.729 54.840 -0.100 0.000 1.045 334 L CB -0.762 41.242 42.059 -0.092 0.000 1.351 334 L HN 1.000 nan 8.230 nan 0.000 0.419 335 E N 0.736 120.860 120.200 -0.127 0.000 2.435 335 E HA 0.720 5.234 4.350 0.274 0.000 0.272 335 E C 0.278 176.821 176.600 -0.094 0.000 1.031 335 E CA -0.486 55.835 56.400 -0.131 0.000 0.872 335 E CB 1.284 30.933 29.700 -0.085 0.000 1.588 335 E HN 0.246 nan 8.360 nan 0.000 0.460 336 G N 0.903 109.656 108.800 -0.078 0.000 2.556 336 G HA2 -0.360 3.764 3.960 0.274 0.000 0.283 336 G HA3 -0.360 3.764 3.960 0.274 0.000 0.283 336 G C -0.235 174.651 174.900 -0.023 0.000 1.177 336 G CA 0.457 45.532 45.100 -0.041 0.000 0.978 336 G HN 0.568 nan 8.290 nan 0.000 0.554 337 Q N 1.594 121.402 119.800 0.014 0.000 3.181 337 Q HA 0.471 4.975 4.340 0.274 0.000 0.293 337 Q C 0.556 176.622 176.000 0.109 0.000 1.406 337 Q CA 0.293 56.143 55.803 0.079 0.000 1.026 337 Q CB 0.150 28.931 28.738 0.071 0.000 1.630 337 Q HN 0.395 nan 8.270 nan 0.000 0.553 338 R N 0.749 121.277 120.500 0.047 0.000 2.740 338 R HA 0.539 5.043 4.340 0.274 0.000 0.273 338 R C -1.456 174.745 176.300 -0.165 0.000 0.998 338 R CA -0.988 55.114 56.100 0.004 0.000 0.900 338 R CB 1.895 32.140 30.300 -0.091 0.000 1.223 338 R HN 0.245 nan 8.270 nan 0.000 0.466 339 L N 2.753 123.873 121.223 -0.171 0.000 2.305 339 L HA 0.468 4.972 4.340 0.274 0.000 0.284 339 L C -1.528 175.134 176.870 -0.347 0.000 1.013 339 L CA -0.815 53.765 54.840 -0.433 0.000 0.819 339 L CB 1.013 42.749 42.059 -0.538 0.000 1.227 339 L HN 0.384 nan 8.230 nan 0.000 0.417 340 L N 5.540 126.330 121.223 -0.721 0.000 2.309 340 L HA 0.601 5.105 4.340 0.274 0.000 0.282 340 L C -0.317 176.239 176.870 -0.523 0.000 1.036 340 L CA -0.100 54.311 54.840 -0.714 0.000 0.806 340 L CB 1.537 42.755 42.059 -1.401 0.000 1.220 340 L HN 0.800 nan 8.230 nan 0.000 0.429 341 N N 1.390 120.103 118.700 0.021 0.000 2.732 341 N HA 0.686 5.591 4.740 0.274 0.000 0.259 341 N C -1.415 174.343 175.510 0.414 0.000 1.402 341 N CA -0.956 52.191 53.050 0.160 0.000 0.829 341 N CB 1.971 40.499 38.487 0.070 0.000 1.495 341 N HN 0.269 nan 8.380 nan 0.000 0.511 342 K N -0.472 120.097 120.400 0.281 0.000 2.561 342 K HA 0.473 4.957 4.320 0.274 0.000 0.254 342 K C -1.425 175.328 176.600 0.254 0.000 0.942 342 K CA -0.316 56.111 56.287 0.234 0.000 0.818 342 K CB 1.225 33.771 32.500 0.077 0.000 1.306 342 K HN 0.838 nan 8.250 nan 0.000 0.435 343 T N -0.109 114.617 114.554 0.287 0.000 2.922 343 T HA 0.861 5.375 4.350 0.274 0.000 0.285 343 T C 0.297 175.108 174.700 0.184 0.000 1.005 343 T CA -0.527 61.736 62.100 0.272 0.000 1.061 343 T CB 1.586 70.539 68.868 0.143 0.000 1.007 343 T HN 0.639 nan 8.240 nan 0.000 0.502 344 G N 0.173 109.079 108.800 0.177 0.000 2.742 344 G HA2 0.568 4.693 3.960 0.274 0.000 0.296 344 G HA3 0.568 4.693 3.960 0.274 0.000 0.296 344 G C -1.396 173.601 174.900 0.161 0.000 1.436 344 G CA -0.831 44.372 45.100 0.173 0.000 0.928 344 G HN 0.831 nan 8.290 nan 0.000 0.520 345 S N -0.661 115.127 115.700 0.148 0.000 2.564 345 S HA 0.885 5.519 4.470 0.274 0.000 0.274 345 S C 0.070 174.755 174.600 0.142 0.000 1.124 345 S CA -0.409 57.883 58.200 0.152 0.000 0.869 345 S CB 2.156 65.414 63.200 0.097 0.000 1.105 345 S HN 1.274 nan 8.310 nan 0.000 0.472 346 T N -1.272 113.402 114.554 0.200 0.000 2.762 346 T HA 0.454 4.968 4.350 0.274 0.000 0.272 346 T C 0.662 175.461 174.700 0.165 0.000 0.982 346 T CA -0.858 61.336 62.100 0.156 0.000 1.013 346 T CB 0.448 69.452 68.868 0.227 0.000 1.309 346 T HN 0.433 nan 8.240 nan 0.000 0.572 347 N N -0.264 118.515 118.700 0.132 0.000 2.223 347 N HA 0.045 4.950 4.740 0.274 0.000 0.185 347 N C 1.615 177.200 175.510 0.125 0.000 1.016 347 N CA 0.906 54.018 53.050 0.104 0.000 0.863 347 N CB -0.145 38.385 38.487 0.071 0.000 0.983 347 N HN 0.805 nan 8.380 nan 0.000 0.429 348 G N -1.544 107.376 108.800 0.199 0.000 3.192 348 G HA2 0.262 4.386 3.960 0.274 0.000 0.239 348 G HA3 0.262 4.386 3.960 0.274 0.000 0.239 348 G C -0.317 174.529 174.900 -0.090 0.000 1.084 348 G CA -0.206 44.924 45.100 0.051 0.000 0.784 348 G HN 0.020 nan 8.290 nan 0.000 0.540 349 F N -0.704 119.355 119.950 0.181 0.000 2.613 349 F HA 0.688 5.375 4.527 0.267 0.000 0.310 349 F C 0.218 176.150 175.800 0.220 0.000 1.085 349 F CA -1.053 57.095 58.000 0.246 0.000 0.945 349 F CB 2.441 41.606 39.000 0.275 0.000 1.298 349 F HN 0.017 nan 8.300 nan 0.000 0.455 350 G N 0.838 109.908 108.800 0.451 0.000 2.739 350 G HA2 0.710 4.834 3.960 0.274 0.000 0.291 350 G HA3 0.710 4.834 3.960 0.274 0.000 0.291 350 G C -1.974 173.103 174.900 0.295 0.000 1.478 350 G CA -0.701 44.580 45.100 0.302 0.000 1.062 350 G HN 0.838 nan 8.290 nan 0.000 0.532 351 A N 1.642 124.601 122.820 0.230 0.000 2.380 351 A HA 0.903 5.387 4.320 0.274 0.000 0.315 351 A C -1.819 175.930 177.584 0.275 0.000 1.101 351 A CA -0.833 51.341 52.037 0.230 0.000 0.771 351 A CB 2.051 21.180 19.000 0.216 0.000 1.287 351 A HN 1.307 nan 8.150 nan 0.000 0.436 352 Y N 0.608 120.978 120.300 0.116 0.000 2.479 352 Y HA 0.562 5.266 4.550 0.256 0.000 0.338 352 Y C -1.585 174.415 175.900 0.166 0.000 1.055 352 Y CA -0.836 57.335 58.100 0.118 0.000 1.023 352 Y CB 1.933 40.434 38.460 0.069 0.000 1.287 352 Y HN 0.593 nan 8.280 nan 0.000 0.447 353 V N 4.527 124.217 119.914 -0.374 0.000 2.709 353 V HA 0.968 5.252 4.120 0.274 0.000 0.308 353 V C -0.851 174.977 176.094 -0.444 0.000 1.062 353 V CA -0.350 61.832 62.300 -0.197 0.000 0.901 353 V CB 1.520 33.478 31.823 0.225 0.000 1.003 353 V HN 0.989 nan 8.190 nan 0.000 0.425 354 A N 4.581 127.225 122.820 -0.294 0.000 2.486 354 A HA 1.018 5.502 4.320 0.274 0.000 0.300 354 A C -1.273 176.235 177.584 -0.125 0.000 1.048 354 A CA -0.488 51.370 52.037 -0.298 0.000 0.696 354 A CB 1.706 20.502 19.000 -0.340 0.000 1.278 354 A HN 1.355 nan 8.150 nan 0.000 0.405 355 F N -0.290 119.421 119.950 -0.398 0.000 2.631 355 F HA 0.766 5.452 4.527 0.265 0.000 0.308 355 F C -1.305 174.231 175.800 -0.441 0.000 1.097 355 F CA -1.319 56.440 58.000 -0.402 0.000 0.952 355 F CB 1.554 40.301 39.000 -0.421 0.000 1.307 355 F HN 0.255 nan 8.300 nan 0.000 0.450 356 V N 3.246 123.013 119.914 -0.244 0.000 2.284 356 V HA 0.293 4.577 4.120 0.274 0.000 0.274 356 V C -1.922 174.084 176.094 -0.146 0.000 1.023 356 V CA -1.535 60.577 62.300 -0.314 0.000 0.808 356 V CB 1.133 32.753 31.823 -0.339 0.000 1.035 356 V HN 0.669 nan 8.190 nan 0.000 0.445 357 P HA -0.134 nan 4.420 nan 0.000 0.215 357 P C 1.645 178.878 177.300 -0.112 0.000 1.157 357 P CA 1.621 64.646 63.100 -0.124 0.000 0.874 357 P CB 0.271 31.860 31.700 -0.185 0.000 0.790 358 G N -1.208 107.542 108.800 -0.082 0.000 2.744 358 G HA2 -0.144 3.981 3.960 0.274 0.000 0.211 358 G HA3 -0.144 3.981 3.960 0.274 0.000 0.211 358 G C 1.396 176.286 174.900 -0.016 0.000 1.143 358 G CA 0.189 45.264 45.100 -0.042 0.000 0.788 358 G HN 0.181 nan 8.290 nan 0.000 0.534 359 R N -0.017 120.470 120.500 -0.021 0.000 2.476 359 R HA 0.114 4.618 4.340 0.274 0.000 0.276 359 R C 0.197 176.496 176.300 -0.000 0.000 0.941 359 R CA 0.060 56.162 56.100 0.004 0.000 1.088 359 R CB 0.182 30.498 30.300 0.027 0.000 1.216 359 R HN 0.210 nan 8.270 nan 0.000 0.533 360 D N 1.076 121.461 120.400 -0.024 0.000 2.697 360 D HA -0.208 4.596 4.640 0.274 0.000 0.238 360 D C -1.270 175.033 176.300 0.006 0.000 1.152 360 D CA 0.568 54.565 54.000 -0.005 0.000 0.666 360 D CB -0.884 39.965 40.800 0.082 0.000 1.037 360 D HN 0.112 nan 8.370 nan 0.000 0.423 361 L N 0.004 121.215 121.223 -0.020 0.000 2.410 361 L HA 0.848 5.352 4.340 0.274 0.000 0.270 361 L C 0.016 176.873 176.870 -0.021 0.000 0.983 361 L CA 0.316 55.146 54.840 -0.016 0.000 0.822 361 L CB 2.051 44.093 42.059 -0.027 0.000 1.285 361 L HN 0.117 nan 8.230 nan 0.000 0.409 362 G N 4.002 112.797 108.800 -0.008 0.000 2.690 362 G HA2 0.684 4.808 3.960 0.274 0.000 0.293 362 G HA3 0.684 4.808 3.960 0.274 0.000 0.293 362 G C -2.195 172.718 174.900 0.023 0.000 1.399 362 G CA -0.484 44.618 45.100 0.004 0.000 0.890 362 G HN 0.978 nan 8.290 nan 0.000 0.485 363 L N -1.497 119.744 121.223 0.031 0.000 2.465 363 L HA 0.928 5.432 4.340 0.274 0.000 0.257 363 L C -1.212 175.705 176.870 0.079 0.000 0.988 363 L CA -1.261 53.620 54.840 0.068 0.000 0.827 363 L CB 1.815 43.918 42.059 0.073 0.000 1.397 363 L HN 0.459 nan 8.230 nan 0.000 0.410 364 V N 2.811 122.801 119.914 0.127 0.000 2.638 364 V HA 0.624 4.908 4.120 0.274 0.000 0.306 364 V C -0.525 175.665 176.094 0.160 0.000 1.052 364 V CA -0.237 62.148 62.300 0.141 0.000 0.885 364 V CB 1.929 33.850 31.823 0.164 0.000 0.999 364 V HN 0.725 nan 8.190 nan 0.000 0.424 365 I N 5.965 126.634 120.570 0.165 0.000 2.468 365 I HA 0.481 4.815 4.170 0.274 0.000 0.284 365 I C -0.960 175.219 176.117 0.104 0.000 1.038 365 I CA -0.246 61.153 61.300 0.165 0.000 1.083 365 I CB 1.570 39.716 38.000 0.244 0.000 1.223 365 I HN 0.295 nan 8.210 nan 0.000 0.443 366 L N 5.905 127.078 121.223 -0.083 0.000 2.341 366 L HA 0.904 5.408 4.340 0.274 0.000 0.278 366 L C -0.132 176.447 176.870 -0.486 0.000 1.005 366 L CA -0.544 54.095 54.840 -0.335 0.000 0.818 366 L CB 1.934 43.549 42.059 -0.740 0.000 1.259 366 L HN 0.666 nan 8.230 nan 0.000 0.418 367 A N 1.847 124.637 122.820 -0.051 0.000 2.454 367 A HA 0.598 5.082 4.320 0.274 0.000 0.302 367 A C -0.397 177.463 177.584 0.461 0.000 1.079 367 A CA -0.726 51.421 52.037 0.184 0.000 0.731 367 A CB 1.333 20.448 19.000 0.193 0.000 1.299 367 A HN 0.758 nan 8.150 nan 0.000 0.413 368 N N 1.005 119.937 118.700 0.386 0.000 2.451 368 N HA 0.154 5.058 4.740 0.274 0.000 0.264 368 N C -0.181 175.288 175.510 -0.068 0.000 1.167 368 N CA -0.157 52.855 53.050 -0.064 0.000 0.898 368 N CB 0.213 38.655 38.487 -0.074 0.000 1.176 368 N HN 0.619 nan 8.380 nan 0.000 0.507 369 R N -0.022 120.524 120.500 0.076 0.000 2.651 369 R HA 0.271 4.775 4.340 0.274 0.000 0.278 369 R C -1.375 175.081 176.300 0.260 0.000 1.010 369 R CA -0.726 55.444 56.100 0.116 0.000 0.896 369 R CB 1.039 31.397 30.300 0.096 0.000 1.211 369 R HN 0.030 nan 8.270 nan 0.000 0.456 370 N N 3.780 122.603 118.700 0.206 0.000 2.466 370 N HA 0.030 4.934 4.740 0.274 0.000 0.263 370 N C -1.402 174.237 175.510 0.215 0.000 1.178 370 N CA 0.088 53.261 53.050 0.204 0.000 0.983 370 N CB -0.038 38.531 38.487 0.137 0.000 1.331 370 N HN 0.390 nan 8.380 nan 0.000 0.500 371 Y N 1.725 122.054 120.300 0.047 0.000 2.496 371 Y HA 0.769 5.477 4.550 0.264 0.000 0.331 371 Y C -2.624 173.282 175.900 0.009 0.000 1.140 371 Y CA -3.479 54.635 58.100 0.022 0.000 1.166 371 Y CB -0.349 38.120 38.460 0.015 0.000 1.249 371 Y HN 0.262 nan 8.280 nan 0.000 0.479 372 P HA 0.049 nan 4.420 nan 0.000 0.266 372 P C 0.099 177.213 177.300 -0.310 0.000 1.195 372 P CA 0.266 63.279 63.100 -0.145 0.000 0.768 372 P CB 0.758 32.426 31.700 -0.053 0.000 0.838 373 N N 2.386 120.931 118.700 -0.258 0.000 2.137 373 N HA -0.207 4.697 4.740 0.274 0.000 0.190 373 N C 1.718 177.046 175.510 -0.305 0.000 1.017 373 N CA 1.858 54.729 53.050 -0.298 0.000 0.859 373 N CB -0.894 37.469 38.487 -0.207 0.000 1.002 373 N HN 0.451 nan 8.380 nan 0.000 0.428 374 A N 1.298 123.993 122.820 -0.208 0.000 1.978 374 A HA -0.144 4.341 4.320 0.274 0.000 0.220 374 A C 2.026 179.519 177.584 -0.152 0.000 1.170 374 A CA 1.278 53.212 52.037 -0.172 0.000 0.636 374 A CB -0.237 18.695 19.000 -0.113 0.000 0.810 374 A HN 0.193 nan 8.150 nan 0.000 0.448 375 E N -0.007 120.121 120.200 -0.120 0.000 2.107 375 E HA -0.131 4.383 4.350 0.274 0.000 0.191 375 E C 2.217 178.826 176.600 0.015 0.000 0.982 375 E CA 0.863 57.266 56.400 0.005 0.000 0.809 375 E CB -0.308 29.504 29.700 0.188 0.000 0.756 375 E HN 0.674 nan 8.360 nan 0.000 0.459 376 R N 0.548 120.926 120.500 -0.204 0.000 2.073 376 R HA -0.063 4.441 4.340 0.274 0.000 0.234 376 R C 2.522 178.662 176.300 -0.267 0.000 1.134 376 R CA 1.214 57.199 56.100 -0.192 0.000 0.952 376 R CB -0.559 29.497 30.300 -0.405 0.000 0.850 376 R HN -0.006 nan 8.270 nan 0.000 0.433 377 V N 1.842 121.480 119.914 -0.460 0.000 2.407 377 V HA -0.255 4.029 4.120 0.274 0.000 0.248 377 V C 2.460 178.511 176.094 -0.071 0.000 1.055 377 V CA 1.705 63.768 62.300 -0.395 0.000 1.049 377 V CB -0.530 31.062 31.823 -0.385 0.000 0.662 377 V HN 0.325 nan 8.190 nan 0.000 0.455 378 K N 0.176 120.539 120.400 -0.062 0.000 2.032 378 K HA -0.191 4.294 4.320 0.274 0.000 0.209 378 K C 2.103 178.749 176.600 0.077 0.000 1.048 378 K CA 1.880 58.172 56.287 0.009 0.000 0.927 378 K CB -0.250 32.241 32.500 -0.015 0.000 0.712 378 K HN 0.434 nan 8.250 nan 0.000 0.441 379 I N 0.908 121.520 120.570 0.070 0.000 2.142 379 I HA -0.274 4.060 4.170 0.274 0.000 0.240 379 I C 2.560 178.748 176.117 0.119 0.000 1.078 379 I CA 1.284 62.633 61.300 0.082 0.000 1.343 379 I CB -0.471 37.583 38.000 0.090 0.000 1.046 379 I HN 0.257 nan 8.210 nan 0.000 0.405 380 A N 0.051 122.970 122.820 0.164 0.000 1.908 380 A HA -0.294 4.190 4.320 0.274 0.000 0.218 380 A C 2.308 180.004 177.584 0.186 0.000 1.181 380 A CA 1.688 53.849 52.037 0.207 0.000 0.627 380 A CB -1.122 18.102 19.000 0.374 0.000 0.818 380 A HN 0.503 nan 8.150 nan 0.000 0.445 381 Y N 0.275 120.635 120.300 0.100 0.000 2.242 381 Y HA -0.054 4.658 4.550 0.270 0.000 0.291 381 Y C 2.710 178.672 175.900 0.104 0.000 1.137 381 Y CA 1.151 59.332 58.100 0.136 0.000 1.181 381 Y CB -0.334 38.189 38.460 0.104 0.000 0.989 381 Y HN 0.327 nan 8.280 nan 0.000 0.527 382 A N 0.076 123.037 122.820 0.236 0.000 1.902 382 A HA -0.169 4.315 4.320 0.274 0.000 0.217 382 A C 2.231 179.848 177.584 0.054 0.000 1.181 382 A CA 1.910 54.027 52.037 0.133 0.000 0.623 382 A CB -1.015 18.038 19.000 0.089 0.000 0.818 382 A HN 0.546 nan 8.150 nan 0.000 0.443 383 I N -0.421 120.175 120.570 0.044 0.000 2.202 383 I HA -0.246 4.088 4.170 0.274 0.000 0.242 383 I C 2.370 178.487 176.117 0.000 0.000 1.091 383 I CA 1.142 62.446 61.300 0.007 0.000 1.368 383 I CB -0.382 37.627 38.000 0.014 0.000 1.058 383 I HN 0.279 nan 8.210 nan 0.000 0.410 384 L N -0.133 121.092 121.223 0.004 0.000 2.046 384 L HA -0.202 4.302 4.340 0.274 0.000 0.208 384 L C 2.684 179.555 176.870 0.001 0.000 1.077 384 L CA 1.216 56.063 54.840 0.011 0.000 0.747 384 L CB -0.641 41.435 42.059 0.029 0.000 0.896 384 L HN 0.169 nan 8.230 nan 0.000 0.432 385 S N 0.054 115.714 115.700 -0.067 0.000 2.368 385 S HA -0.128 4.507 4.470 0.274 0.000 0.225 385 S C 2.011 176.597 174.600 -0.025 0.000 1.030 385 S CA 1.292 59.448 58.200 -0.073 0.000 0.999 385 S CB -0.552 62.624 63.200 -0.039 0.000 0.844 385 S HN 0.620 nan 8.310 nan 0.000 0.459 386 G N 1.155 109.948 108.800 -0.012 0.000 2.421 386 G HA2 -0.053 4.071 3.960 0.274 0.000 0.217 386 G HA3 -0.053 4.071 3.960 0.274 0.000 0.217 386 G C 1.288 176.177 174.900 -0.018 0.000 1.143 386 G CA 0.306 45.397 45.100 -0.015 0.000 0.784 386 G HN 0.431 nan 8.290 nan 0.000 0.541 387 L N -0.138 121.075 121.223 -0.016 0.000 2.156 387 L HA 0.058 4.562 4.340 0.274 0.000 0.208 387 L C 2.647 179.515 176.870 -0.003 0.000 1.095 387 L CA 1.081 55.913 54.840 -0.013 0.000 0.770 387 L CB -0.173 41.881 42.059 -0.009 0.000 0.914 387 L HN 0.306 nan 8.230 nan 0.000 0.439 388 E N 0.374 120.574 120.200 0.001 0.000 2.107 388 E HA -0.130 4.384 4.350 0.274 0.000 0.191 388 E C 1.539 178.130 176.600 -0.014 0.000 0.982 388 E CA 0.847 57.245 56.400 -0.003 0.000 0.809 388 E CB 0.188 29.878 29.700 -0.017 0.000 0.756 388 E HN 0.482 nan 8.360 nan 0.000 0.459 389 Q N 0.000 119.790 119.800 -0.017 0.000 2.315 389 Q HA 0.000 4.504 4.340 0.274 0.000 0.214 389 Q CA 0.000 55.794 55.803 -0.015 0.000 1.022 389 Q CB 0.000 28.730 28.738 -0.014 0.000 1.108 389 Q HN 0.000 nan 8.270 nan 0.000 0.481