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 2zus_1_A DATA FIRST_RESID 2 DATA SEQUENCE TSTGRFTLPS EENFAEKTKE LAELWGADAI RNSDGTHLDE AVLALGKKIY DATA SEQUENCE NAYFPTRAHN EWITLHMDET PQVYLLTDRI LAESDTVDIP LMESFFAEQL DATA SEQUENCE KPNRDADPHK YWEVVDRTTG EVVDSANWTL DADEDTVHVS GVAAWHEYTV DATA SEQUENCE SFLAYIIWDP VEMYNHLTND WGDKEHEIPF DIYHPATRKF VFDTFEQWLK DATA SEQUENCE DSPQTDVVRF TTFFYQFTLL FDEKRREKVV DWFGCACTVS PRALDDFEAK DATA SEQUENCE YGYRLRPEDF VDGGAYNSAW RVPRKAQRDW IDFLSGFVRE NVKQLADMSH DATA SEQUENCE AAGKEAMMFL GDQWIGTEPY KDGFDELGLD AVVGSIGDGT TTRMIADIPG DATA SEQUENCE VKYTEGRFLP YFFPDTFYEG NDPSIEGLDN WRKARRAILR SPISRMGYGG DATA SEQUENCE YLSLAAKFPK FVDTVTHIAN EFRDIHDRTG GVAAEGELNV AILNSWGKMR DATA SEQUENCE SWMAFTVAHA LPNKQTYSYY GILESLSGMR VNVRFISFDD VLAHGIDSDI DATA SEQUENCE DVIINGGPVD TAFTGGDVWT NPKLVETVRA WVRGGGAFVG VGEPSSAPRF DATA SEQUENCE QTGRFFQLAD VIGVDEERYQ TLSVDKYFPP VVPDHFITAD VPVDPAAREA DATA SEQUENCE WEQAGYRIPL SGCGGGQSIK PLGGIDFGEP VLNTYPVNEN VTLLRADGGQ DATA SEQUENCE VQLATNDYGK GRGVYISGLP YSAANARLLE RVLFYASHNE DKYAAWSSSN DATA SEQUENCE PECEVAHFPE QGLYCVINNT DQPQKTTVTL ADGTTEDFDL PDSGIAWRE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.683 174.700 -0.028 0.000 1.109 2 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 2 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 3 S N 2.211 117.894 115.700 -0.028 0.000 2.631 3 S HA 0.280 4.751 4.470 0.002 0.000 0.311 3 S C 0.357 174.942 174.600 -0.024 0.000 1.254 3 S CA 0.188 58.374 58.200 -0.024 0.000 1.039 3 S CB 0.560 63.748 63.200 -0.020 0.000 0.753 3 S HN 1.106 nan 8.310 nan 0.000 0.494 4 T N 1.414 115.958 114.554 -0.016 0.000 2.883 4 T HA 0.721 5.072 4.350 0.002 0.000 0.296 4 T C 0.225 174.928 174.700 0.006 0.000 1.117 4 T CA 0.780 62.872 62.100 -0.013 0.000 1.006 4 T CB 0.952 69.809 68.868 -0.018 0.000 1.191 4 T HN 2.317 nan 8.240 nan 0.000 0.508 5 G N 2.248 111.063 108.800 0.026 0.000 2.549 5 G HA2 0.023 3.984 3.960 0.002 0.000 0.404 5 G HA3 0.023 3.984 3.960 0.002 0.000 0.404 5 G C -0.278 174.674 174.900 0.087 0.000 1.292 5 G CA 0.002 45.130 45.100 0.047 0.000 0.935 5 G HN 1.165 nan 8.290 nan 0.000 0.512 6 R N -2.170 118.365 120.500 0.059 0.000 3.758 6 R HA -0.225 4.116 4.340 0.002 0.000 0.299 6 R C -0.107 176.216 176.300 0.038 0.000 1.182 6 R CA 1.640 57.780 56.100 0.067 0.000 0.809 6 R CB -1.913 28.494 30.300 0.177 0.000 1.249 6 R HN 1.277 nan 8.270 nan 0.000 0.497 7 F N -0.317 119.571 119.950 -0.104 0.000 2.573 7 F HA 0.303 4.831 4.527 0.002 0.000 0.316 7 F C -0.422 175.322 175.800 -0.093 0.000 1.148 7 F CA -0.477 57.443 58.000 -0.133 0.000 0.940 7 F CB 1.939 40.883 39.000 -0.094 0.000 1.214 7 F HN -0.159 nan 8.300 nan 0.000 0.448 8 T N 7.025 121.340 114.554 -0.400 0.000 2.771 8 T HA 0.527 4.878 4.350 0.002 0.000 0.281 8 T C -1.104 173.472 174.700 -0.207 0.000 0.982 8 T CA -0.410 61.501 62.100 -0.316 0.000 0.978 8 T CB 1.322 69.902 68.868 -0.479 0.000 0.930 8 T HN 0.563 nan 8.240 nan 0.000 0.447 9 L N 6.082 127.348 121.223 0.072 0.000 2.329 9 L HA 0.678 5.019 4.340 0.002 0.000 0.279 9 L C -2.586 174.372 176.870 0.147 0.000 1.014 9 L CA -2.116 52.896 54.840 0.287 0.000 0.814 9 L CB 1.645 43.978 42.059 0.458 0.000 1.257 9 L HN 0.284 nan 8.230 nan 0.000 0.424 10 P HA 0.227 nan 4.420 nan 0.000 0.279 10 P C -1.134 176.263 177.300 0.161 0.000 1.239 10 P CA -0.246 62.919 63.100 0.108 0.000 0.789 10 P CB 1.691 33.423 31.700 0.053 0.000 0.933 11 S N 0.584 116.358 115.700 0.124 0.000 2.715 11 S HA 0.651 5.122 4.470 0.002 0.000 0.307 11 S C -0.975 173.704 174.600 0.132 0.000 1.119 11 S CA -0.553 57.738 58.200 0.152 0.000 0.937 11 S CB 1.114 64.396 63.200 0.137 0.000 1.150 11 S HN 0.626 nan 8.310 nan 0.000 0.521 12 E N 0.275 120.566 120.200 0.152 0.000 2.388 12 E HA 0.372 4.724 4.350 0.002 0.000 0.280 12 E C -1.557 175.128 176.600 0.142 0.000 1.019 12 E CA -0.963 55.512 56.400 0.125 0.000 0.806 12 E CB 0.700 30.457 29.700 0.095 0.000 1.246 12 E HN 0.473 nan 8.360 nan 0.000 0.443 13 E N 0.640 120.905 120.200 0.108 0.000 2.438 13 E HA 0.047 4.398 4.350 0.002 0.000 0.261 13 E C -0.461 176.218 176.600 0.131 0.000 1.103 13 E CA 0.427 56.889 56.400 0.104 0.000 0.959 13 E CB 0.079 29.820 29.700 0.070 0.000 0.958 13 E HN 0.655 nan 8.360 nan 0.000 0.447 14 N N 0.356 119.134 118.700 0.131 0.000 2.754 14 N HA -0.230 4.511 4.740 0.002 0.000 0.248 14 N C -0.989 174.697 175.510 0.294 0.000 1.093 14 N CA 0.192 53.333 53.050 0.151 0.000 0.699 14 N CB -0.557 37.997 38.487 0.112 0.000 1.016 14 N HN 0.355 nan 8.380 nan 0.000 0.552 15 F N -1.142 118.816 119.950 0.014 0.000 2.697 15 F HA 0.538 5.066 4.527 0.002 0.000 0.367 15 F C 1.189 176.990 175.800 0.001 0.000 1.300 15 F CA 0.110 58.114 58.000 0.008 0.000 1.121 15 F CB -0.131 38.882 39.000 0.022 0.000 1.188 15 F HN 0.100 nan 8.300 nan 0.000 0.511 16 A N 0.203 123.013 122.820 -0.017 0.000 1.858 16 A HA -0.195 4.126 4.320 0.002 0.000 0.216 16 A C 2.061 179.559 177.584 -0.143 0.000 1.190 16 A CA 2.278 54.285 52.037 -0.050 0.000 0.617 16 A CB -0.404 18.582 19.000 -0.023 0.000 0.827 16 A HN 0.479 nan 8.150 nan 0.000 0.443 17 E N 0.434 120.510 120.200 -0.206 0.000 2.049 17 E HA -0.215 4.136 4.350 0.002 0.000 0.198 17 E C 1.778 178.193 176.600 -0.308 0.000 1.007 17 E CA 1.639 57.900 56.400 -0.231 0.000 0.809 17 E CB -0.378 29.188 29.700 -0.223 0.000 0.749 17 E HN 0.393 nan 8.360 nan 0.000 0.450 18 K N 0.123 120.202 120.400 -0.535 0.000 2.103 18 K HA 0.060 4.381 4.320 0.002 0.000 0.204 18 K C 2.301 178.696 176.600 -0.342 0.000 1.052 18 K CA 1.448 57.397 56.287 -0.562 0.000 0.945 18 K CB -0.550 31.302 32.500 -1.079 0.000 0.722 18 K HN 0.268 nan 8.250 nan 0.000 0.443 19 T N 2.010 116.418 114.554 -0.243 0.000 2.635 19 T HA -0.206 4.145 4.350 0.002 0.000 0.267 19 T C 1.876 176.518 174.700 -0.096 0.000 1.040 19 T CA 2.332 64.400 62.100 -0.054 0.000 1.156 19 T CB -0.136 68.764 68.868 0.054 0.000 0.863 19 T HN 0.382 nan 8.240 nan 0.000 0.430 20 K N 1.589 121.920 120.400 -0.114 0.000 2.148 20 K HA -0.021 4.300 4.320 0.002 0.000 0.204 20 K C 2.144 178.659 176.600 -0.141 0.000 1.050 20 K CA 1.574 57.800 56.287 -0.101 0.000 0.942 20 K CB -0.211 32.240 32.500 -0.082 0.000 0.724 20 K HN 0.400 nan 8.250 nan 0.000 0.446 21 E N 1.059 121.148 120.200 -0.186 0.000 2.051 21 E HA -0.172 4.179 4.350 0.002 0.000 0.192 21 E C 1.963 178.385 176.600 -0.297 0.000 0.991 21 E CA 1.397 57.668 56.400 -0.216 0.000 0.799 21 E CB -0.062 29.502 29.700 -0.227 0.000 0.748 21 E HN 0.437 nan 8.360 nan 0.000 0.449 22 L N 0.246 121.242 121.223 -0.378 0.000 2.109 22 L HA -0.056 4.286 4.340 0.002 0.000 0.207 22 L C 2.701 179.288 176.870 -0.472 0.000 1.086 22 L CA 0.789 55.229 54.840 -0.667 0.000 0.760 22 L CB -0.432 41.138 42.059 -0.814 0.000 0.910 22 L HN 0.190 nan 8.230 nan 0.000 0.437 23 A N -0.013 122.684 122.820 -0.204 0.000 1.908 23 A HA -0.272 4.049 4.320 0.002 0.000 0.218 23 A C 2.231 179.755 177.584 -0.099 0.000 1.181 23 A CA 1.960 53.956 52.037 -0.068 0.000 0.627 23 A CB -0.510 18.481 19.000 -0.015 0.000 0.818 23 A HN 0.437 nan 8.150 nan 0.000 0.445 24 E N -0.952 119.170 120.200 -0.130 0.000 2.038 24 E HA -0.204 4.147 4.350 0.002 0.000 0.195 24 E C 1.930 178.452 176.600 -0.130 0.000 1.000 24 E CA 1.352 57.683 56.400 -0.114 0.000 0.803 24 E CB -0.198 29.432 29.700 -0.118 0.000 0.750 24 E HN 0.445 nan 8.360 nan 0.000 0.448 25 L N -0.199 120.900 121.223 -0.206 0.000 2.046 25 L HA -0.158 4.184 4.340 0.002 0.000 0.208 25 L C 1.555 178.394 176.870 -0.052 0.000 1.077 25 L CA 1.459 56.184 54.840 -0.191 0.000 0.747 25 L CB -0.234 41.602 42.059 -0.373 0.000 0.896 25 L HN 0.332 nan 8.230 nan 0.000 0.432 26 W N -0.276 120.842 121.300 -0.303 0.000 3.197 26 W HA 0.432 5.093 4.660 0.002 0.000 0.274 26 W C 1.543 177.691 176.519 -0.617 0.000 1.297 26 W CA 0.232 57.237 57.345 -0.566 0.000 1.662 26 W CB -1.129 27.820 29.460 -0.852 0.000 1.106 26 W HN 0.328 nan 8.180 nan 0.000 0.663 27 G N 1.288 110.000 108.800 -0.147 0.000 2.273 27 G HA2 -0.084 3.877 3.960 0.002 0.000 0.280 27 G HA3 -0.084 3.877 3.960 0.002 0.000 0.280 27 G C 0.529 175.389 174.900 -0.066 0.000 1.047 27 G CA 0.021 45.058 45.100 -0.106 0.000 0.869 27 G HN 0.442 nan 8.290 nan 0.000 0.502 28 A N 0.120 122.926 122.820 -0.023 0.000 2.520 28 A HA 0.501 4.822 4.320 0.002 0.000 0.245 28 A C 1.239 178.890 177.584 0.111 0.000 1.072 28 A CA 0.809 52.962 52.037 0.192 0.000 0.761 28 A CB 0.323 19.503 19.000 0.300 0.000 1.004 28 A HN 0.796 nan 8.150 nan 0.000 0.499 29 D N 0.505 120.972 120.400 0.112 0.000 2.398 29 D HA 0.431 5.072 4.640 0.002 0.000 0.210 29 D C 0.159 176.488 176.300 0.048 0.000 1.094 29 D CA 0.689 54.725 54.000 0.061 0.000 0.839 29 D CB 0.174 41.000 40.800 0.042 0.000 0.963 29 D HN 0.627 nan 8.370 nan 0.000 0.506 30 A N 0.211 123.046 122.820 0.024 0.000 2.515 30 A HA 0.711 5.032 4.320 0.002 0.000 0.298 30 A C -1.306 176.211 177.584 -0.111 0.000 1.059 30 A CA -0.791 51.200 52.037 -0.076 0.000 0.698 30 A CB 1.418 20.261 19.000 -0.263 0.000 1.289 30 A HN 0.135 nan 8.150 nan 0.000 0.404 31 I N 1.092 121.605 120.570 -0.094 0.000 2.498 31 I HA 0.447 4.618 4.170 0.002 0.000 0.290 31 I C -0.085 176.004 176.117 -0.046 0.000 1.032 31 I CA -0.766 60.510 61.300 -0.040 0.000 1.073 31 I CB 2.190 40.217 38.000 0.044 0.000 1.251 31 I HN 0.758 nan 8.210 nan 0.000 0.426 32 R N 4.981 125.453 120.500 -0.046 0.000 2.235 32 R HA 0.194 4.535 4.340 0.002 0.000 0.338 32 R C -0.251 176.099 176.300 0.084 0.000 1.087 32 R CA -0.298 55.826 56.100 0.040 0.000 0.948 32 R CB 0.085 30.392 30.300 0.012 0.000 1.099 32 R HN 0.580 nan 8.270 nan 0.000 0.483 33 N N 2.238 121.008 118.700 0.117 0.000 2.357 33 N HA -0.095 4.646 4.740 0.002 0.000 0.257 33 N C -0.687 174.891 175.510 0.114 0.000 1.250 33 N CA 0.699 53.819 53.050 0.117 0.000 0.862 33 N CB 0.770 39.337 38.487 0.132 0.000 1.066 33 N HN 0.575 nan 8.380 nan 0.000 0.468 34 S N 2.342 118.103 115.700 0.100 0.000 2.549 34 S HA 0.000 4.472 4.470 0.002 0.000 0.283 34 S C -0.638 174.032 174.600 0.116 0.000 1.320 34 S CA -0.698 57.559 58.200 0.095 0.000 1.058 34 S CB 0.016 63.270 63.200 0.090 0.000 0.882 34 S HN 0.560 nan 8.310 nan 0.000 0.498 35 D N 3.021 123.507 120.400 0.144 0.000 2.515 35 D HA 0.269 4.910 4.640 0.002 0.000 0.232 35 D C 1.259 177.653 176.300 0.157 0.000 1.157 35 D CA 1.536 55.667 54.000 0.219 0.000 0.871 35 D CB -0.047 40.925 40.800 0.287 0.000 1.200 35 D HN 0.785 nan 8.370 nan 0.000 0.466 36 G N 1.855 110.783 108.800 0.213 0.000 2.543 36 G HA2 -0.324 3.637 3.960 0.002 0.000 0.286 36 G HA3 -0.324 3.637 3.960 0.002 0.000 0.286 36 G C -0.110 174.820 174.900 0.051 0.000 1.153 36 G CA 0.431 45.611 45.100 0.135 0.000 0.968 36 G HN 1.035 nan 8.290 nan 0.000 0.544 37 T N 1.744 116.246 114.554 -0.087 0.000 0.552 37 T HA -0.103 4.248 4.350 0.002 0.000 0.772 37 T C 0.066 174.663 174.700 -0.172 0.000 0.992 37 T CA 1.412 63.423 62.100 -0.149 0.000 4.069 37 T CB -0.658 68.205 68.868 -0.007 0.000 2.298 37 T HN 1.138 nan 8.240 nan 0.000 0.397 38 H N 2.373 121.478 119.070 0.057 0.000 2.502 38 H HA 0.584 5.141 4.556 0.002 0.000 0.327 38 H C 0.319 175.673 175.328 0.044 0.000 1.099 38 H CA -0.909 55.160 56.048 0.036 0.000 1.323 38 H CB 0.977 30.747 29.762 0.014 0.000 1.450 38 H HN 0.342 nan 8.280 nan 0.000 0.502 39 L N 2.183 123.492 121.223 0.143 0.000 2.416 39 L HA 0.151 4.492 4.340 0.002 0.000 0.262 39 L C -0.133 176.791 176.870 0.090 0.000 1.093 39 L CA -0.431 54.471 54.840 0.102 0.000 0.801 39 L CB 0.690 42.805 42.059 0.093 0.000 1.191 39 L HN 0.598 nan 8.230 nan 0.000 0.459 40 D N 1.228 121.675 120.400 0.078 0.000 2.571 40 D HA -0.036 4.606 4.640 0.002 0.000 0.231 40 D C 0.727 177.055 176.300 0.047 0.000 1.133 40 D CA 0.394 54.431 54.000 0.061 0.000 0.862 40 D CB 0.439 41.273 40.800 0.058 0.000 1.179 40 D HN 0.442 nan 8.370 nan 0.000 0.474 41 E N 1.203 121.424 120.200 0.035 0.000 2.204 41 E HA -0.117 4.235 4.350 0.002 0.000 0.194 41 E C 1.995 178.605 176.600 0.017 0.000 0.989 41 E CA 1.134 57.547 56.400 0.023 0.000 0.824 41 E CB -0.162 29.547 29.700 0.014 0.000 0.756 41 E HN 0.567 nan 8.360 nan 0.000 0.477 42 A N -0.014 122.815 122.820 0.015 0.000 1.969 42 A HA -0.131 4.190 4.320 0.002 0.000 0.218 42 A C 2.353 179.943 177.584 0.009 0.000 1.169 42 A CA 1.291 53.331 52.037 0.005 0.000 0.635 42 A CB -0.428 18.571 19.000 -0.002 0.000 0.810 42 A HN 0.163 nan 8.150 nan 0.000 0.445 43 V N -0.227 119.700 119.914 0.023 0.000 2.323 43 V HA -0.195 3.926 4.120 0.002 0.000 0.244 43 V C 2.492 178.605 176.094 0.032 0.000 1.041 43 V CA 1.754 64.073 62.300 0.031 0.000 1.025 43 V CB -0.722 31.133 31.823 0.053 0.000 0.656 43 V HN 0.546 nan 8.190 nan 0.000 0.451 44 L N 0.341 121.583 121.223 0.033 0.000 2.141 44 L HA -0.090 4.251 4.340 0.002 0.000 0.209 44 L C 2.566 179.448 176.870 0.020 0.000 1.094 44 L CA 1.366 56.224 54.840 0.030 0.000 0.763 44 L CB -0.630 41.446 42.059 0.028 0.000 0.908 44 L HN 0.343 nan 8.230 nan 0.000 0.437 45 A N -0.377 122.450 122.820 0.013 0.000 2.172 45 A HA -0.073 4.248 4.320 0.002 0.000 0.216 45 A C 2.128 179.715 177.584 0.004 0.000 1.154 45 A CA 0.887 52.927 52.037 0.006 0.000 0.701 45 A CB -0.560 18.441 19.000 0.001 0.000 0.789 45 A HN 0.395 nan 8.150 nan 0.000 0.465 46 L N -1.121 120.106 121.223 0.008 0.000 2.376 46 L HA 0.053 4.394 4.340 0.002 0.000 0.219 46 L C 1.792 178.668 176.870 0.010 0.000 1.133 46 L CA 0.672 55.515 54.840 0.005 0.000 0.816 46 L CB -0.385 41.678 42.059 0.007 0.000 0.933 46 L HN 0.555 nan 8.230 nan 0.000 0.449 47 G N 0.044 108.854 108.800 0.017 0.000 2.198 47 G HA2 -0.251 3.710 3.960 0.002 0.000 0.260 47 G HA3 -0.251 3.710 3.960 0.002 0.000 0.260 47 G C 0.216 175.133 174.900 0.028 0.000 1.025 47 G CA 0.002 45.114 45.100 0.020 0.000 0.769 47 G HN 0.161 nan 8.290 nan 0.000 0.507 48 K N -0.051 120.371 120.400 0.035 0.000 2.168 48 K HA 0.327 4.648 4.320 0.002 0.000 0.258 48 K C 0.711 177.352 176.600 0.068 0.000 1.010 48 K CA -0.711 55.604 56.287 0.046 0.000 0.929 48 K CB 0.731 33.258 32.500 0.045 0.000 0.998 48 K HN 0.307 nan 8.250 nan 0.000 0.479 49 K N 2.122 122.575 120.400 0.089 0.000 2.402 49 K HA 0.067 4.388 4.320 0.002 0.000 0.285 49 K C -0.257 176.464 176.600 0.201 0.000 1.054 49 K CA -0.176 56.200 56.287 0.149 0.000 1.001 49 K CB 0.273 32.890 32.500 0.195 0.000 0.946 49 K HN 0.322 nan 8.250 nan 0.000 0.473 50 I N 6.130 126.821 120.570 0.202 0.000 2.312 50 I HA 0.081 4.252 4.170 0.002 0.000 0.291 50 I C -0.327 175.998 176.117 0.346 0.000 1.031 50 I CA -0.519 60.909 61.300 0.215 0.000 1.293 50 I CB 0.124 38.201 38.000 0.128 0.000 1.403 50 I HN 0.449 nan 8.210 nan 0.000 0.484 51 Y N 4.892 125.234 120.300 0.070 0.000 2.313 51 Y HA 0.343 4.895 4.550 0.002 0.000 0.332 51 Y C 0.653 176.597 175.900 0.074 0.000 1.071 51 Y CA -0.768 57.371 58.100 0.066 0.000 1.169 51 Y CB 0.682 39.171 38.460 0.048 0.000 1.192 51 Y HN 0.461 nan 8.280 nan 0.000 0.487 52 N N 1.406 120.234 118.700 0.214 0.000 2.296 52 N HA 0.606 5.347 4.740 0.002 0.000 0.294 52 N C -1.124 174.456 175.510 0.118 0.000 1.033 52 N CA -0.526 52.659 53.050 0.224 0.000 0.839 52 N CB 1.782 40.468 38.487 0.331 0.000 1.395 52 N HN 0.695 nan 8.380 nan 0.000 0.479 53 A N 2.501 125.326 122.820 0.008 0.000 2.354 53 A HA 0.419 4.740 4.320 0.002 0.000 0.269 53 A C -1.136 176.104 177.584 -0.574 0.000 1.109 53 A CA -0.073 51.757 52.037 -0.345 0.000 0.800 53 A CB 0.120 18.866 19.000 -0.423 0.000 1.045 53 A HN 0.655 nan 8.150 nan 0.000 0.489 54 Y N 0.929 120.621 120.300 -1.014 0.000 2.409 54 Y HA 0.588 5.139 4.550 0.002 0.000 0.343 54 Y C -1.254 174.075 175.900 -0.951 0.000 0.973 54 Y CA -1.006 56.496 58.100 -0.997 0.000 1.064 54 Y CB 1.687 39.518 38.460 -1.048 0.000 1.207 54 Y HN 0.539 nan 8.280 nan 0.000 0.452 55 F N 7.250 126.764 119.950 -0.727 0.000 2.449 55 F HA 0.369 4.897 4.527 0.002 0.000 0.344 55 F C -1.818 173.737 175.800 -0.408 0.000 1.180 55 F CA -2.119 55.630 58.000 -0.419 0.000 1.209 55 F CB 0.738 39.552 39.000 -0.310 0.000 1.440 55 F HN 0.400 nan 8.300 nan 0.000 0.526 56 P HA -0.097 nan 4.420 nan 0.000 0.220 56 P C 0.992 178.326 177.300 0.057 0.000 1.148 56 P CA 1.320 64.457 63.100 0.062 0.000 0.803 56 P CB 0.040 31.831 31.700 0.152 0.000 0.782 57 T N -3.052 111.397 114.554 -0.176 0.000 3.293 57 T HA 0.411 4.763 4.350 0.002 0.000 0.276 57 T C 0.413 174.417 174.700 -1.161 0.000 1.003 57 T CA -0.684 60.999 62.100 -0.695 0.000 0.916 57 T CB -0.178 68.473 68.868 -0.362 0.000 1.134 57 T HN 0.264 nan 8.240 nan 0.000 0.530 58 R N -1.390 118.756 120.500 -0.590 0.000 2.762 58 R HA 0.699 5.040 4.340 0.002 0.000 0.271 58 R C -0.427 175.965 176.300 0.154 0.000 1.038 58 R CA -0.694 55.288 56.100 -0.198 0.000 0.906 58 R CB 0.115 30.346 30.300 -0.115 0.000 1.259 58 R HN 0.529 nan 8.270 nan 0.000 0.457 59 A N -0.045 122.844 122.820 0.116 0.000 2.969 59 A HA -0.144 4.177 4.320 0.002 0.000 0.252 59 A C -0.582 176.880 177.584 -0.202 0.000 1.377 59 A CA 1.255 53.254 52.037 -0.063 0.000 0.859 59 A CB -2.411 16.459 19.000 -0.217 0.000 1.077 59 A HN 0.741 nan 8.150 nan 0.000 0.671 60 H N -0.867 118.460 119.070 0.428 0.000 2.597 60 H HA 0.177 4.734 4.556 0.002 0.000 0.225 60 H C 0.837 176.301 175.328 0.226 0.000 1.422 60 H CA -0.240 56.021 56.048 0.356 0.000 1.335 60 H CB 0.021 30.067 29.762 0.473 0.000 1.783 60 H HN 0.410 nan 8.280 nan 0.000 0.513 61 N N 1.082 119.925 118.700 0.237 0.000 2.272 61 N HA -0.164 4.577 4.740 0.002 0.000 0.185 61 N C 2.077 177.619 175.510 0.053 0.000 1.014 61 N CA 0.997 54.125 53.050 0.130 0.000 0.870 61 N CB 0.270 38.799 38.487 0.069 0.000 0.975 61 N HN 0.638 nan 8.380 nan 0.000 0.433 62 E N -0.070 120.185 120.200 0.092 0.000 2.204 62 E HA -0.196 4.155 4.350 0.002 0.000 0.194 62 E C 1.741 178.337 176.600 -0.007 0.000 0.989 62 E CA 0.634 57.065 56.400 0.052 0.000 0.824 62 E CB -0.674 29.096 29.700 0.117 0.000 0.756 62 E HN 0.618 nan 8.360 nan 0.000 0.477 63 W N 1.069 122.187 121.300 -0.304 0.000 2.501 63 W HA -0.039 4.622 4.660 0.002 0.000 0.309 63 W C 1.916 178.253 176.519 -0.304 0.000 1.165 63 W CA 0.682 57.682 57.345 -0.574 0.000 1.381 63 W CB -0.317 28.184 29.460 -1.598 0.000 1.142 63 W HN 0.084 nan 8.180 nan 0.000 0.509 64 I N 2.402 122.772 120.570 -0.333 0.000 2.546 64 I HA -0.222 3.950 4.170 0.002 0.000 0.255 64 I C 2.582 178.547 176.117 -0.254 0.000 1.163 64 I CA 2.372 63.497 61.300 -0.292 0.000 1.457 64 I CB -0.695 37.364 38.000 0.098 0.000 1.092 64 I HN 0.066 nan 8.210 nan 0.000 0.434 65 T N -1.652 112.780 114.554 -0.203 0.000 2.977 65 T HA -0.126 4.225 4.350 0.002 0.000 0.271 65 T C 1.649 176.162 174.700 -0.312 0.000 1.105 65 T CA 1.221 63.197 62.100 -0.207 0.000 1.116 65 T CB -0.620 68.158 68.868 -0.149 0.000 0.878 65 T HN 0.388 nan 8.240 nan 0.000 0.509 66 L N 0.072 121.020 121.223 -0.458 0.000 2.607 66 L HA 0.264 4.605 4.340 0.002 0.000 0.228 66 L C 0.725 176.923 176.870 -1.121 0.000 1.123 66 L CA 0.259 54.684 54.840 -0.693 0.000 0.890 66 L CB -0.126 41.507 42.059 -0.709 0.000 1.103 66 L HN 0.430 nan 8.230 nan 0.000 0.468 67 H N -0.473 118.251 119.070 -0.576 0.000 2.823 67 H HA 0.217 4.774 4.556 0.002 0.000 0.222 67 H C 0.857 175.970 175.328 -0.359 0.000 1.414 67 H CA -0.296 55.450 56.048 -0.503 0.000 1.289 67 H CB 0.847 30.185 29.762 -0.707 0.000 1.970 67 H HN 0.085 nan 8.280 nan 0.000 0.517 68 M N 0.872 120.308 119.600 -0.273 0.000 2.549 68 M HA -0.084 4.397 4.480 0.002 0.000 0.260 68 M C 1.368 177.398 176.300 -0.449 0.000 1.076 68 M CA 0.972 56.089 55.300 -0.305 0.000 1.090 68 M CB -0.528 31.879 32.600 -0.321 0.000 1.418 68 M HN 0.395 nan 8.290 nan 0.000 0.486 69 D N -0.312 119.884 120.400 -0.340 0.000 2.363 69 D HA -0.109 4.532 4.640 0.002 0.000 0.226 69 D C 0.656 176.881 176.300 -0.125 0.000 1.020 69 D CA 0.531 54.381 54.000 -0.251 0.000 0.892 69 D CB -0.353 40.398 40.800 -0.080 0.000 0.900 69 D HN 0.418 nan 8.370 nan 0.000 0.531 70 E N 0.247 120.375 120.200 -0.121 0.000 2.548 70 E HA 0.055 4.406 4.350 0.002 0.000 0.206 70 E C 0.260 177.024 176.600 0.274 0.000 1.005 70 E CA -0.163 56.221 56.400 -0.027 0.000 0.951 70 E CB 0.677 30.389 29.700 0.021 0.000 1.035 70 E HN 0.346 nan 8.360 nan 0.000 0.470 71 T N -0.215 114.462 114.554 0.205 0.000 2.813 71 T HA 0.230 4.581 4.350 0.002 0.000 0.297 71 T C -2.384 172.513 174.700 0.329 0.000 1.036 71 T CA -1.711 60.549 62.100 0.267 0.000 1.044 71 T CB 0.905 69.877 68.868 0.173 0.000 0.993 71 T HN -0.232 nan 8.240 nan 0.000 0.535 72 P HA 0.330 nan 4.420 nan 0.000 0.274 72 P C -0.698 176.702 177.300 0.167 0.000 1.256 72 P CA -0.510 62.738 63.100 0.247 0.000 0.795 72 P CB 0.394 32.224 31.700 0.216 0.000 1.038 73 Q N -0.896 118.940 119.800 0.060 0.000 2.456 73 Q HA 0.728 5.069 4.340 0.002 0.000 0.283 73 Q C -1.633 174.234 176.000 -0.221 0.000 1.084 73 Q CA -1.060 54.674 55.803 -0.115 0.000 0.801 73 Q CB 2.901 31.507 28.738 -0.221 0.000 1.434 73 Q HN 0.217 nan 8.270 nan 0.000 0.419 74 V N 0.925 120.637 119.914 -0.337 0.000 2.888 74 V HA 0.439 4.560 4.120 0.002 0.000 0.309 74 V C -1.838 173.941 176.094 -0.524 0.000 1.114 74 V CA -0.532 61.551 62.300 -0.362 0.000 0.940 74 V CB 1.683 33.368 31.823 -0.230 0.000 1.021 74 V HN 0.760 nan 8.190 nan 0.000 0.426 75 Y N 5.786 125.840 120.300 -0.411 0.000 2.465 75 Y HA 0.421 4.972 4.550 0.002 0.000 0.331 75 Y C 0.469 176.139 175.900 -0.383 0.000 1.102 75 Y CA 0.232 58.077 58.100 -0.425 0.000 1.358 75 Y CB 0.857 39.128 38.460 -0.315 0.000 1.213 75 Y HN 0.451 nan 8.280 nan 0.000 0.525 76 L N 4.972 125.858 121.223 -0.562 0.000 2.334 76 L HA 0.443 4.784 4.340 0.002 0.000 0.276 76 L C -0.991 175.666 176.870 -0.355 0.000 1.014 76 L CA -1.173 53.286 54.840 -0.635 0.000 0.815 76 L CB 1.740 42.841 42.059 -1.597 0.000 1.268 76 L HN 0.447 nan 8.230 nan 0.000 0.428 77 L N 2.319 123.613 121.223 0.118 0.000 2.296 77 L HA 0.445 4.786 4.340 0.002 0.000 0.286 77 L C 0.536 177.643 176.870 0.395 0.000 1.023 77 L CA 0.021 54.953 54.840 0.154 0.000 0.812 77 L CB 1.730 43.787 42.059 -0.004 0.000 1.223 77 L HN 0.742 nan 8.230 nan 0.000 0.421 78 T N 0.581 115.345 114.554 0.349 0.000 2.701 78 T HA 0.188 4.539 4.350 0.002 0.000 0.303 78 T C 0.218 174.993 174.700 0.124 0.000 1.030 78 T CA -0.685 61.600 62.100 0.308 0.000 1.010 78 T CB 0.242 69.231 68.868 0.202 0.000 1.007 78 T HN 0.565 nan 8.240 nan 0.000 0.532 79 D N 0.625 121.052 120.400 0.045 0.000 2.378 79 D HA 0.128 4.769 4.640 0.002 0.000 0.238 79 D C 0.423 176.742 176.300 0.032 0.000 1.180 79 D CA 0.140 54.145 54.000 0.010 0.000 0.895 79 D CB 0.393 41.184 40.800 -0.014 0.000 1.192 79 D HN 0.445 nan 8.370 nan 0.000 0.438 80 R N 1.200 121.714 120.500 0.023 0.000 2.370 80 R HA 0.211 4.552 4.340 0.002 0.000 0.309 80 R C -0.209 176.120 176.300 0.048 0.000 1.059 80 R CA -0.211 55.906 56.100 0.029 0.000 0.981 80 R CB 0.493 30.799 30.300 0.010 0.000 0.972 80 R HN 0.257 nan 8.270 nan 0.000 0.437 81 I N 4.733 125.352 120.570 0.081 0.000 2.354 81 I HA 0.163 4.335 4.170 0.002 0.000 0.292 81 I C -0.213 175.993 176.117 0.149 0.000 0.989 81 I CA -1.108 60.250 61.300 0.097 0.000 1.188 81 I CB 1.244 39.294 38.000 0.083 0.000 1.342 81 I HN 0.455 nan 8.210 nan 0.000 0.457 82 L N 6.556 127.849 121.223 0.117 0.000 2.315 82 L HA 0.555 4.896 4.340 0.002 0.000 0.283 82 L C 0.509 177.433 176.870 0.090 0.000 1.089 82 L CA 0.047 54.968 54.840 0.136 0.000 0.833 82 L CB 0.736 42.877 42.059 0.136 0.000 1.170 82 L HN 0.727 nan 8.230 nan 0.000 0.442 83 A N 4.474 127.375 122.820 0.136 0.000 2.409 83 A HA 0.329 4.650 4.320 0.002 0.000 0.262 83 A C 0.585 177.968 177.584 -0.334 0.000 1.113 83 A CA -0.203 51.808 52.037 -0.044 0.000 0.790 83 A CB 0.076 19.089 19.000 0.023 0.000 1.046 83 A HN 0.893 nan 8.150 nan 0.000 0.496 84 E N 0.937 120.862 120.200 -0.458 0.000 2.538 84 E HA 0.147 4.498 4.350 0.002 0.000 0.207 84 E C 0.164 176.336 176.600 -0.714 0.000 1.002 84 E CA 0.513 56.358 56.400 -0.924 0.000 0.952 84 E CB 0.335 29.691 29.700 -0.573 0.000 1.031 84 E HN 0.807 nan 8.360 nan 0.000 0.476 85 S N -0.095 115.336 115.700 -0.449 0.000 3.003 85 S HA 0.055 4.526 4.470 0.002 0.000 0.313 85 S C -0.057 174.409 174.600 -0.223 0.000 1.230 85 S CA -0.539 57.491 58.200 -0.283 0.000 0.977 85 S CB 0.520 63.620 63.200 -0.167 0.000 1.340 85 S HN 0.023 nan 8.310 nan 0.000 0.608 86 D N 1.309 121.620 120.400 -0.148 0.000 2.336 86 D HA 0.145 4.787 4.640 0.002 0.000 0.229 86 D C 0.659 176.877 176.300 -0.137 0.000 1.061 86 D CA 0.666 54.589 54.000 -0.130 0.000 0.875 86 D CB -0.612 40.139 40.800 -0.082 0.000 0.904 86 D HN 0.728 nan 8.370 nan 0.000 0.525 87 T N -3.247 111.222 114.554 -0.141 0.000 2.916 87 T HA 0.647 4.998 4.350 0.002 0.000 0.292 87 T C -0.666 173.945 174.700 -0.147 0.000 1.055 87 T CA -0.993 61.033 62.100 -0.124 0.000 1.009 87 T CB 2.331 71.160 68.868 -0.064 0.000 1.118 87 T HN -0.007 nan 8.240 nan 0.000 0.497 88 V N 0.639 120.471 119.914 -0.137 0.000 2.969 88 V HA 0.534 4.655 4.120 0.002 0.000 0.304 88 V C -2.052 174.015 176.094 -0.044 0.000 1.192 88 V CA -0.740 61.492 62.300 -0.112 0.000 0.962 88 V CB 2.349 34.062 31.823 -0.185 0.000 1.045 88 V HN 1.083 nan 8.190 nan 0.000 0.428 89 D N 5.273 125.669 120.400 -0.007 0.000 2.278 89 D HA 0.593 5.234 4.640 0.002 0.000 0.245 89 D C -0.560 175.717 176.300 -0.038 0.000 1.052 89 D CA 0.167 54.162 54.000 -0.008 0.000 0.834 89 D CB 2.152 42.978 40.800 0.044 0.000 1.194 89 D HN 0.530 nan 8.370 nan 0.000 0.481 90 I N 3.504 124.029 120.570 -0.077 0.000 2.420 90 I HA 0.231 4.402 4.170 0.002 0.000 0.282 90 I C -2.381 173.683 176.117 -0.088 0.000 1.019 90 I CA -2.139 59.126 61.300 -0.058 0.000 1.130 90 I CB 1.977 39.945 38.000 -0.054 0.000 1.262 90 I HN -0.059 nan 8.210 nan 0.000 0.454 91 P HA 0.181 nan 4.420 nan 0.000 0.271 91 P C 0.591 177.852 177.300 -0.066 0.000 1.216 91 P CA -0.189 62.876 63.100 -0.058 0.000 0.771 91 P CB 1.095 32.786 31.700 -0.015 0.000 0.864 92 L N 1.696 122.826 121.223 -0.154 0.000 2.127 92 L HA 0.027 4.368 4.340 0.002 0.000 0.203 92 L C 1.755 178.658 176.870 0.054 0.000 1.080 92 L CA 1.362 56.006 54.840 -0.327 0.000 0.768 92 L CB -0.365 41.202 42.059 -0.820 0.000 0.924 92 L HN 0.372 nan 8.230 nan 0.000 0.444 93 M N -1.152 118.512 119.600 0.106 0.000 2.313 93 M HA 0.073 4.555 4.480 0.002 0.000 0.273 93 M C 1.560 178.012 176.300 0.254 0.000 1.049 93 M CA 0.474 55.951 55.300 0.295 0.000 1.004 93 M CB 0.200 32.911 32.600 0.186 0.000 1.461 93 M HN 0.159 nan 8.290 nan 0.000 0.514 94 E N 0.302 120.582 120.200 0.134 0.000 2.268 94 E HA -0.100 4.251 4.350 0.002 0.000 0.195 94 E C 1.539 178.146 176.600 0.012 0.000 0.995 94 E CA 1.433 57.875 56.400 0.069 0.000 0.836 94 E CB 0.221 29.940 29.700 0.032 0.000 0.763 94 E HN 0.438 nan 8.360 nan 0.000 0.491 95 S N -0.506 115.131 115.700 -0.105 0.000 2.556 95 S HA 0.132 4.604 4.470 0.002 0.000 0.216 95 S C 0.169 174.520 174.600 -0.415 0.000 0.970 95 S CA -0.412 57.594 58.200 -0.323 0.000 0.912 95 S CB 0.103 62.985 63.200 -0.529 0.000 0.790 95 S HN -0.057 nan 8.310 nan 0.000 0.504 96 F N 0.701 120.746 119.950 0.159 0.000 2.598 96 F HA 0.580 5.108 4.527 0.002 0.000 0.327 96 F C -0.334 175.642 175.800 0.294 0.000 1.057 96 F CA -2.080 56.042 58.000 0.204 0.000 0.957 96 F CB 0.778 39.898 39.000 0.200 0.000 1.278 96 F HN 0.023 nan 8.300 nan 0.000 0.484 97 F N 2.110 122.278 119.950 0.363 0.000 2.434 97 F HA 0.462 4.990 4.527 0.002 0.000 0.358 97 F C 0.964 176.906 175.800 0.236 0.000 1.136 97 F CA -1.565 56.596 58.000 0.267 0.000 1.157 97 F CB 0.529 39.698 39.000 0.281 0.000 1.167 97 F HN 0.560 nan 8.300 nan 0.000 0.539 98 A N 4.569 127.538 122.820 0.247 0.000 2.125 98 A HA -0.117 4.204 4.320 0.002 0.000 0.219 98 A C 1.891 179.380 177.584 -0.157 0.000 1.156 98 A CA 1.329 53.406 52.037 0.066 0.000 0.671 98 A CB -0.561 18.508 19.000 0.115 0.000 0.794 98 A HN 0.810 nan 8.150 nan 0.000 0.459 99 E N -1.159 118.688 120.200 -0.588 0.000 2.435 99 E HA -0.101 4.250 4.350 0.002 0.000 0.195 99 E C 1.899 178.310 176.600 -0.315 0.000 1.029 99 E CA 0.664 56.726 56.400 -0.563 0.000 0.865 99 E CB 0.083 29.342 29.700 -0.734 0.000 0.833 99 E HN 0.811 nan 8.360 nan 0.000 0.510 100 Q N -0.002 119.599 119.800 -0.332 0.000 2.423 100 Q HA 0.136 4.478 4.340 0.002 0.000 0.231 100 Q C -0.033 175.983 176.000 0.026 0.000 0.894 100 Q CA 0.250 56.036 55.803 -0.028 0.000 0.938 100 Q CB 0.752 29.498 28.738 0.015 0.000 1.079 100 Q HN 0.093 nan 8.270 nan 0.000 0.552 101 L N 0.813 122.049 121.223 0.021 0.000 2.409 101 L HA 0.569 4.910 4.340 0.002 0.000 0.262 101 L C -0.973 175.945 176.870 0.079 0.000 0.992 101 L CA -0.727 54.137 54.840 0.039 0.000 0.817 101 L CB 2.398 44.451 42.059 -0.010 0.000 1.350 101 L HN -0.195 nan 8.230 nan 0.000 0.411 102 K N 2.760 123.228 120.400 0.113 0.000 2.588 102 K HA 0.456 4.777 4.320 0.002 0.000 0.250 102 K C -2.828 173.895 176.600 0.204 0.000 0.972 102 K CA -1.569 54.816 56.287 0.164 0.000 0.821 102 K CB 2.659 35.265 32.500 0.176 0.000 1.249 102 K HN 0.119 nan 8.250 nan 0.000 0.442 103 P HA -0.055 nan 4.420 nan 0.000 0.265 103 P C -1.025 176.410 177.300 0.226 0.000 1.187 103 P CA -0.103 63.144 63.100 0.246 0.000 0.766 103 P CB 0.407 32.193 31.700 0.144 0.000 0.820 104 N N 2.776 121.559 118.700 0.138 0.000 2.437 104 N HA 0.088 4.829 4.740 0.002 0.000 0.243 104 N C 0.461 176.117 175.510 0.242 0.000 1.041 104 N CA -0.029 52.981 53.050 -0.066 0.000 0.940 104 N CB 0.045 38.205 38.487 -0.546 0.000 1.133 104 N HN 0.220 nan 8.380 nan 0.000 0.506 105 R N 1.847 122.483 120.500 0.226 0.000 2.334 105 R HA 0.115 4.457 4.340 0.002 0.000 0.216 105 R C 0.185 176.536 176.300 0.086 0.000 0.905 105 R CA 0.036 56.221 56.100 0.141 0.000 1.064 105 R CB 0.622 31.000 30.300 0.130 0.000 1.046 105 R HN 0.539 nan 8.270 nan 0.000 0.508 106 D N 1.464 121.940 120.400 0.127 0.000 2.137 106 D HA -0.027 4.614 4.640 0.002 0.000 0.202 106 D C 0.531 176.863 176.300 0.052 0.000 0.970 106 D CA 0.737 54.796 54.000 0.098 0.000 0.837 106 D CB 0.177 41.073 40.800 0.160 0.000 0.981 106 D HN 0.099 nan 8.370 nan 0.000 0.475 107 A N 1.558 124.387 122.820 0.015 0.000 2.269 107 A HA 0.119 4.440 4.320 0.002 0.000 0.302 107 A C -0.230 177.406 177.584 0.086 0.000 1.266 107 A CA -0.479 51.555 52.037 -0.005 0.000 0.894 107 A CB 0.540 19.352 19.000 -0.312 0.000 1.147 107 A HN -0.112 nan 8.150 nan 0.000 0.537 108 D N 3.989 124.491 120.400 0.169 0.000 3.167 108 D HA -0.064 4.577 4.640 0.002 0.000 0.232 108 D C -1.408 174.878 176.300 -0.023 0.000 1.231 108 D CA -0.571 53.480 54.000 0.085 0.000 0.845 108 D CB 0.602 41.470 40.800 0.113 0.000 1.157 108 D HN 0.221 nan 8.370 nan 0.000 0.576 109 P HA -0.140 nan 4.420 nan 0.000 0.216 109 P C 0.703 177.844 177.300 -0.265 0.000 1.150 109 P CA 1.291 63.822 63.100 -0.947 0.000 0.837 109 P CB 0.058 31.035 31.700 -1.204 0.000 0.786 110 H N -1.443 117.527 119.070 -0.168 0.000 2.495 110 H HA -0.008 4.549 4.556 0.002 0.000 0.287 110 H C 2.029 177.345 175.328 -0.021 0.000 1.033 110 H CA 1.157 57.117 56.048 -0.147 0.000 1.307 110 H CB -0.067 29.482 29.762 -0.356 0.000 1.401 110 H HN 0.107 nan 8.280 nan 0.000 0.555 111 K N -0.289 120.122 120.400 0.017 0.000 2.098 111 K HA -0.068 4.254 4.320 0.002 0.000 0.203 111 K C 0.651 177.161 176.600 -0.150 0.000 1.051 111 K CA 0.968 57.154 56.287 -0.168 0.000 0.957 111 K CB 0.252 32.482 32.500 -0.450 0.000 0.738 111 K HN 0.253 nan 8.250 nan 0.000 0.447 112 Y N -1.388 119.052 120.300 0.234 0.000 2.458 112 Y HA 0.156 4.707 4.550 0.002 0.000 0.254 112 Y C 0.095 176.402 175.900 0.679 0.000 1.120 112 Y CA -0.533 57.805 58.100 0.397 0.000 1.282 112 Y CB 0.461 39.133 38.460 0.353 0.000 1.109 112 Y HN 0.025 nan 8.280 nan 0.000 0.526 113 W N 0.631 122.152 121.300 0.368 0.000 2.671 113 W HA 0.624 5.286 4.660 0.002 0.000 0.360 113 W C -0.428 176.202 176.519 0.185 0.000 1.128 113 W CA -1.892 55.622 57.345 0.281 0.000 1.184 113 W CB 0.532 30.135 29.460 0.238 0.000 1.415 113 W HN -0.312 nan 8.180 nan 0.000 0.604 114 E N 0.359 120.707 120.200 0.247 0.000 2.290 114 E HA 0.436 4.787 4.350 0.002 0.000 0.274 114 E C -1.635 174.918 176.600 -0.079 0.000 0.889 114 E CA -0.603 55.862 56.400 0.109 0.000 0.760 114 E CB 2.785 32.502 29.700 0.028 0.000 1.206 114 E HN 0.068 nan 8.360 nan 0.000 0.419 115 V N 3.937 123.761 119.914 -0.151 0.000 2.394 115 V HA 0.356 4.477 4.120 0.002 0.000 0.282 115 V C -0.322 175.778 176.094 0.009 0.000 1.031 115 V CA -0.570 61.607 62.300 -0.205 0.000 0.881 115 V CB 1.518 33.057 31.823 -0.473 0.000 0.982 115 V HN 0.407 nan 8.190 nan 0.000 0.451 116 V N 3.671 123.605 119.914 0.033 0.000 2.495 116 V HA 0.367 4.488 4.120 0.002 0.000 0.298 116 V C -0.235 175.903 176.094 0.074 0.000 1.031 116 V CA -0.730 61.600 62.300 0.051 0.000 0.871 116 V CB 2.100 33.916 31.823 -0.012 0.000 0.988 116 V HN 0.872 nan 8.190 nan 0.000 0.432 117 D N 4.233 124.662 120.400 0.049 0.000 2.374 117 D HA 0.141 4.783 4.640 0.002 0.000 0.240 117 D C 1.194 177.369 176.300 -0.208 0.000 1.229 117 D CA -0.212 53.656 54.000 -0.220 0.000 0.895 117 D CB 0.770 41.557 40.800 -0.022 0.000 1.046 117 D HN 0.310 nan 8.370 nan 0.000 0.498 118 R N 2.185 122.529 120.500 -0.261 0.000 2.189 118 R HA -0.030 4.311 4.340 0.002 0.000 0.218 118 R C 1.547 177.740 176.300 -0.178 0.000 1.074 118 R CA 0.591 56.592 56.100 -0.166 0.000 0.991 118 R CB -0.404 29.819 30.300 -0.129 0.000 0.883 118 R HN 0.429 nan 8.270 nan 0.000 0.457 119 T N 0.210 114.606 114.554 -0.263 0.000 2.904 119 T HA -0.083 4.268 4.350 0.002 0.000 0.267 119 T C 1.747 176.297 174.700 -0.251 0.000 1.059 119 T CA 1.899 63.814 62.100 -0.309 0.000 1.137 119 T CB -0.027 68.493 68.868 -0.579 0.000 0.879 119 T HN 0.468 nan 8.240 nan 0.000 0.467 120 T N -2.067 112.381 114.554 -0.176 0.000 3.001 120 T HA 0.449 4.800 4.350 0.002 0.000 0.251 120 T C 1.861 176.533 174.700 -0.046 0.000 1.040 120 T CA 0.758 62.811 62.100 -0.079 0.000 0.985 120 T CB 0.210 69.084 68.868 0.010 0.000 1.011 120 T HN 0.438 nan 8.240 nan 0.000 0.509 121 G N 1.570 110.335 108.800 -0.058 0.000 2.184 121 G HA2 -0.230 3.731 3.960 0.002 0.000 0.264 121 G HA3 -0.230 3.731 3.960 0.002 0.000 0.264 121 G C -0.117 174.777 174.900 -0.010 0.000 0.975 121 G CA 0.145 45.222 45.100 -0.038 0.000 0.642 121 G HN 0.603 nan 8.290 nan 0.000 0.536 122 E N 0.316 120.525 120.200 0.014 0.000 2.354 122 E HA 0.411 4.763 4.350 0.002 0.000 0.269 122 E C 0.705 177.347 176.600 0.069 0.000 1.036 122 E CA -0.483 55.945 56.400 0.047 0.000 0.876 122 E CB 1.856 31.600 29.700 0.074 0.000 1.009 122 E HN 0.153 nan 8.360 nan 0.000 0.416 123 V N 3.185 123.143 119.914 0.074 0.000 2.572 123 V HA -0.008 4.113 4.120 0.002 0.000 0.291 123 V C 0.540 176.723 176.094 0.149 0.000 1.039 123 V CA -0.308 62.053 62.300 0.102 0.000 1.055 123 V CB 1.034 32.915 31.823 0.097 0.000 0.969 123 V HN 0.361 nan 8.190 nan 0.000 0.482 124 V N 4.584 124.612 119.914 0.191 0.000 2.614 124 V HA 0.084 4.205 4.120 0.002 0.000 0.291 124 V C 0.724 176.994 176.094 0.293 0.000 1.049 124 V CA -0.379 62.065 62.300 0.239 0.000 1.038 124 V CB 1.042 33.020 31.823 0.257 0.000 0.980 124 V HN 0.875 nan 8.190 nan 0.000 0.481 125 D N 3.084 123.620 120.400 0.228 0.000 2.533 125 D HA -0.064 4.577 4.640 0.002 0.000 0.236 125 D C 1.334 177.776 176.300 0.238 0.000 1.137 125 D CA 0.665 54.779 54.000 0.191 0.000 0.867 125 D CB 1.118 41.987 40.800 0.114 0.000 1.170 125 D HN 0.794 nan 8.370 nan 0.000 0.474 126 S N 2.511 118.308 115.700 0.162 0.000 2.515 126 S HA -0.072 4.399 4.470 0.002 0.000 0.231 126 S C 1.711 176.146 174.600 -0.275 0.000 0.987 126 S CA 0.555 58.721 58.200 -0.057 0.000 0.936 126 S CB 0.191 63.439 63.200 0.081 0.000 0.766 126 S HN 0.490 nan 8.310 nan 0.000 0.528 127 A N 2.209 124.952 122.820 -0.128 0.000 2.168 127 A HA 0.113 4.434 4.320 0.002 0.000 0.215 127 A C 1.839 179.385 177.584 -0.064 0.000 1.152 127 A CA 0.716 52.666 52.037 -0.145 0.000 0.716 127 A CB -0.539 18.407 19.000 -0.090 0.000 0.794 127 A HN 0.688 nan 8.150 nan 0.000 0.465 128 N N -0.312 118.410 118.700 0.036 0.000 2.270 128 N HA 0.087 4.828 4.740 0.002 0.000 0.198 128 N C -0.424 175.234 175.510 0.247 0.000 1.117 128 N CA 0.030 53.151 53.050 0.118 0.000 0.845 128 N CB 0.271 38.844 38.487 0.143 0.000 0.980 128 N HN 0.857 nan 8.380 nan 0.000 0.486 129 W N 0.815 122.192 121.300 0.127 0.000 3.107 129 W HA 0.459 5.121 4.660 0.002 0.000 0.331 129 W C -1.092 175.560 176.519 0.222 0.000 1.204 129 W CA -0.829 56.600 57.345 0.140 0.000 1.184 129 W CB 0.389 29.909 29.460 0.099 0.000 1.421 129 W HN -0.265 nan 8.180 nan 0.000 0.544 130 T N 0.083 114.934 114.554 0.495 0.000 2.909 130 T HA 0.537 4.888 4.350 0.002 0.000 0.299 130 T C -1.469 173.488 174.700 0.428 0.000 1.073 130 T CA -0.792 61.525 62.100 0.363 0.000 0.999 130 T CB 2.341 71.348 68.868 0.232 0.000 1.098 130 T HN 0.550 nan 8.240 nan 0.000 0.477 131 L N 2.692 124.106 121.223 0.319 0.000 2.265 131 L HA 0.389 4.730 4.340 0.002 0.000 0.288 131 L C 0.275 177.250 176.870 0.175 0.000 1.058 131 L CA -0.133 54.840 54.840 0.221 0.000 0.809 131 L CB 0.449 42.589 42.059 0.134 0.000 1.179 131 L HN 0.814 nan 8.230 nan 0.000 0.429 132 D N 3.818 124.316 120.400 0.164 0.000 2.533 132 D HA -0.059 4.583 4.640 0.002 0.000 0.236 132 D C 0.867 177.236 176.300 0.115 0.000 1.137 132 D CA 0.728 54.842 54.000 0.190 0.000 0.867 132 D CB 1.635 42.542 40.800 0.177 0.000 1.170 132 D HN 0.827 nan 8.370 nan 0.000 0.474 133 A N 4.229 127.108 122.820 0.099 0.000 2.015 133 A HA -0.157 4.164 4.320 0.002 0.000 0.219 133 A C 1.460 179.079 177.584 0.058 0.000 1.163 133 A CA 1.138 53.215 52.037 0.065 0.000 0.646 133 A CB 0.152 19.181 19.000 0.048 0.000 0.806 133 A HN 0.597 nan 8.150 nan 0.000 0.448 134 D N -0.637 119.802 120.400 0.065 0.000 2.392 134 D HA 0.104 4.745 4.640 0.002 0.000 0.206 134 D C 0.483 176.812 176.300 0.049 0.000 1.046 134 D CA 0.753 54.785 54.000 0.052 0.000 0.865 134 D CB 0.313 41.143 40.800 0.050 0.000 0.969 134 D HN 0.867 nan 8.370 nan 0.000 0.509 135 E N -0.309 119.923 120.200 0.053 0.000 2.437 135 E HA 0.269 4.620 4.350 0.002 0.000 0.280 135 E C -1.479 175.135 176.600 0.023 0.000 1.044 135 E CA -0.794 55.630 56.400 0.039 0.000 0.826 135 E CB 0.932 30.654 29.700 0.037 0.000 1.358 135 E HN -0.383 nan 8.360 nan 0.000 0.459 136 D N 1.517 121.920 120.400 0.005 0.000 2.619 136 D HA 0.239 4.880 4.640 0.002 0.000 0.224 136 D C -0.949 175.303 176.300 -0.081 0.000 1.133 136 D CA 0.223 54.206 54.000 -0.029 0.000 1.017 136 D CB 0.482 41.257 40.800 -0.042 0.000 1.077 136 D HN 0.283 nan 8.370 nan 0.000 0.503 137 T N -0.015 114.485 114.554 -0.090 0.000 2.971 137 T HA 0.289 4.640 4.350 0.002 0.000 0.304 137 T C -0.092 174.457 174.700 -0.253 0.000 1.038 137 T CA -0.537 61.455 62.100 -0.180 0.000 1.007 137 T CB 2.323 71.063 68.868 -0.214 0.000 1.055 137 T HN -0.166 nan 8.240 nan 0.000 0.451 138 V N 4.735 124.517 119.914 -0.220 0.000 2.407 138 V HA 0.345 4.466 4.120 0.002 0.000 0.278 138 V C -0.200 175.774 176.094 -0.200 0.000 1.037 138 V CA -0.776 61.447 62.300 -0.128 0.000 0.900 138 V CB 0.830 32.604 31.823 -0.082 0.000 0.983 138 V HN 0.818 nan 8.190 nan 0.000 0.459 139 H N 3.838 122.985 119.070 0.129 0.000 2.519 139 H HA 0.518 5.075 4.556 0.002 0.000 0.316 139 H C -0.600 174.801 175.328 0.121 0.000 1.065 139 H CA -0.361 55.739 56.048 0.087 0.000 1.264 139 H CB 1.804 31.611 29.762 0.075 0.000 1.413 139 H HN 0.383 nan 8.280 nan 0.000 0.465 140 V N 3.075 123.071 119.914 0.136 0.000 2.581 140 V HA 0.422 4.543 4.120 0.002 0.000 0.303 140 V C 0.238 176.335 176.094 0.005 0.000 1.041 140 V CA -0.708 61.637 62.300 0.075 0.000 0.907 140 V CB 1.665 33.431 31.823 -0.095 0.000 0.994 140 V HN 0.923 nan 8.190 nan 0.000 0.442 141 S N 1.206 116.918 115.700 0.019 0.000 2.661 141 S HA 0.802 5.274 4.470 0.002 0.000 0.285 141 S C 0.569 175.154 174.600 -0.025 0.000 1.138 141 S CA -0.206 57.981 58.200 -0.021 0.000 0.855 141 S CB 1.624 64.824 63.200 0.000 0.000 1.136 141 S HN 2.267 nan 8.310 nan 0.000 0.484 142 G N -0.322 108.455 108.800 -0.037 0.000 2.249 142 G HA2 -0.155 3.806 3.960 0.002 0.000 0.273 142 G HA3 -0.155 3.806 3.960 0.002 0.000 0.273 142 G C 0.128 175.010 174.900 -0.030 0.000 1.036 142 G CA 0.489 45.575 45.100 -0.025 0.000 0.824 142 G HN 1.833 nan 8.290 nan 0.000 0.504 143 V N -3.557 116.308 119.914 -0.082 0.000 3.284 143 V HA 0.986 5.107 4.120 0.002 0.000 0.309 143 V C 0.739 176.787 176.094 -0.077 0.000 1.190 143 V CA -0.761 61.497 62.300 -0.069 0.000 1.038 143 V CB 1.502 33.192 31.823 -0.222 0.000 1.198 143 V HN 1.642 nan 8.190 nan 0.000 0.465 144 A N 0.487 123.276 122.820 -0.053 0.000 2.331 144 A HA 0.818 5.139 4.320 0.002 0.000 0.283 144 A C 0.486 177.950 177.584 -0.199 0.000 1.142 144 A CA 0.035 51.926 52.037 -0.244 0.000 0.812 144 A CB 0.105 18.666 19.000 -0.732 0.000 1.074 144 A HN 2.030 nan 8.150 nan 0.000 0.497 145 A N 1.263 123.961 122.820 -0.203 0.000 2.407 145 A HA 0.486 4.807 4.320 0.002 0.000 0.248 145 A C 0.100 177.596 177.584 -0.146 0.000 1.082 145 A CA 0.438 52.266 52.037 -0.348 0.000 0.785 145 A CB -0.808 17.871 19.000 -0.535 0.000 1.020 145 A HN 1.651 nan 8.150 nan 0.000 0.489 146 W N -1.377 120.015 121.300 0.153 0.000 2.560 146 W HA -0.189 4.472 4.660 0.002 0.000 0.279 146 W C 0.343 177.045 176.519 0.306 0.000 1.090 146 W CA 0.777 58.235 57.345 0.188 0.000 0.535 146 W CB -2.362 27.183 29.460 0.143 0.000 2.121 146 W HN 0.872 nan 8.180 nan 0.000 1.314 147 H N 0.327 119.502 119.070 0.175 0.000 2.525 147 H HA 0.449 5.006 4.556 0.002 0.000 0.340 147 H C 0.337 175.596 175.328 -0.114 0.000 1.168 147 H CA -0.971 55.065 56.048 -0.019 0.000 1.247 147 H CB 1.147 30.812 29.762 -0.161 0.000 1.568 147 H HN -0.042 nan 8.280 nan 0.000 0.536 148 E N 1.503 121.597 120.200 -0.177 0.000 2.216 148 E HA 0.241 4.592 4.350 0.002 0.000 0.279 148 E C -1.222 175.110 176.600 -0.447 0.000 0.997 148 E CA -0.397 55.911 56.400 -0.153 0.000 0.817 148 E CB 1.367 31.020 29.700 -0.078 0.000 1.096 148 E HN 0.380 nan 8.360 nan 0.000 0.393 149 Y N 0.163 120.481 120.300 0.030 0.000 2.499 149 Y HA 0.419 4.970 4.550 0.002 0.000 0.347 149 Y C 0.315 176.208 175.900 -0.012 0.000 0.987 149 Y CA -0.718 57.388 58.100 0.009 0.000 1.044 149 Y CB 2.376 40.837 38.460 0.002 0.000 1.245 149 Y HN 0.488 nan 8.280 nan 0.000 0.461 150 T N -1.580 113.041 114.554 0.111 0.000 2.841 150 T HA 0.820 5.171 4.350 0.002 0.000 0.296 150 T C -1.489 173.211 174.700 0.000 0.000 1.166 150 T CA -0.904 61.226 62.100 0.050 0.000 1.007 150 T CB 1.434 70.314 68.868 0.021 0.000 1.253 150 T HN 0.338 nan 8.240 nan 0.000 0.511 151 V N 1.385 121.293 119.914 -0.009 0.000 2.555 151 V HA 0.655 4.776 4.120 0.002 0.000 0.302 151 V C -0.202 175.907 176.094 0.025 0.000 1.038 151 V CA -0.832 61.428 62.300 -0.066 0.000 0.887 151 V CB 2.023 33.773 31.823 -0.121 0.000 0.991 151 V HN 1.089 nan 8.190 nan 0.000 0.434 152 S N 5.049 120.721 115.700 -0.047 0.000 2.433 152 S HA 0.805 5.276 4.470 0.002 0.000 0.310 152 S C -0.676 173.848 174.600 -0.126 0.000 1.097 152 S CA -0.468 57.679 58.200 -0.088 0.000 1.103 152 S CB 0.630 63.717 63.200 -0.189 0.000 0.992 152 S HN 0.642 nan 8.310 nan 0.000 0.469 153 F N 0.385 120.063 119.950 -0.453 0.000 2.599 153 F HA 0.698 5.226 4.527 0.002 0.000 0.311 153 F C -1.192 174.178 175.800 -0.718 0.000 1.076 153 F CA -1.567 55.733 58.000 -1.167 0.000 0.937 153 F CB 0.792 38.663 39.000 -1.881 0.000 1.282 153 F HN 0.251 nan 8.300 nan 0.000 0.460 154 L N 3.002 123.842 121.223 -0.638 0.000 2.367 154 L HA 0.624 4.966 4.340 0.002 0.000 0.275 154 L C 0.044 176.705 176.870 -0.349 0.000 1.129 154 L CA -0.582 53.947 54.840 -0.518 0.000 0.839 154 L CB 1.099 42.984 42.059 -0.291 0.000 1.133 154 L HN 0.934 nan 8.230 nan 0.000 0.453 155 A N 3.914 126.454 122.820 -0.467 0.000 2.343 155 A HA 0.591 4.913 4.320 0.002 0.000 0.308 155 A C -1.150 176.282 177.584 -0.253 0.000 1.092 155 A CA -0.534 51.328 52.037 -0.292 0.000 0.751 155 A CB 0.595 19.396 19.000 -0.332 0.000 1.203 155 A HN 0.502 nan 8.150 nan 0.000 0.452 156 Y N 1.476 121.753 120.300 -0.038 0.000 2.511 156 Y HA 0.231 4.782 4.550 0.002 0.000 0.332 156 Y C 0.571 176.456 175.900 -0.024 0.000 1.177 156 Y CA 0.403 58.491 58.100 -0.020 0.000 1.422 156 Y CB 0.289 38.755 38.460 0.011 0.000 1.271 156 Y HN 0.462 nan 8.280 nan 0.000 0.550 157 I N 5.625 126.287 120.570 0.153 0.000 2.301 157 I HA 0.120 4.291 4.170 0.002 0.000 0.292 157 I C 0.973 177.166 176.117 0.127 0.000 1.046 157 I CA 0.012 61.370 61.300 0.096 0.000 1.282 157 I CB 0.506 38.541 38.000 0.059 0.000 1.409 157 I HN 0.653 nan 8.210 nan 0.000 0.484 158 I N 2.835 123.476 120.570 0.118 0.000 3.956 158 I HA 0.287 4.458 4.170 0.002 0.000 0.333 158 I C -0.319 175.904 176.117 0.177 0.000 1.302 158 I CA 0.040 61.404 61.300 0.107 0.000 1.122 158 I CB 0.346 38.373 38.000 0.045 0.000 1.013 158 I HN 0.460 nan 8.210 nan 0.000 0.405 159 W N 3.402 124.673 121.300 -0.050 0.000 2.884 159 W HA 0.373 5.035 4.660 0.002 0.000 0.336 159 W C -0.969 175.499 176.519 -0.086 0.000 1.038 159 W CA -1.669 55.629 57.345 -0.080 0.000 1.247 159 W CB 0.995 30.348 29.460 -0.177 0.000 1.351 159 W HN 0.026 nan 8.180 nan 0.000 0.446 160 D N 7.719 128.248 120.400 0.215 0.000 2.458 160 D HA -0.010 4.631 4.640 0.002 0.000 0.243 160 D C -1.222 174.953 176.300 -0.209 0.000 1.146 160 D CA -0.653 53.346 54.000 -0.002 0.000 0.877 160 D CB 2.288 43.102 40.800 0.023 0.000 1.176 160 D HN 0.141 nan 8.370 nan 0.000 0.461 161 P HA -0.131 nan 4.420 nan 0.000 0.217 161 P C 1.695 178.839 177.300 -0.259 0.000 1.150 161 P CA 0.460 63.374 63.100 -0.310 0.000 0.832 161 P CB 0.359 31.889 31.700 -0.283 0.000 0.787 162 V N 1.141 120.956 119.914 -0.164 0.000 2.307 162 V HA -0.178 3.943 4.120 0.002 0.000 0.245 162 V C 2.809 178.859 176.094 -0.073 0.000 1.045 162 V CA 1.816 64.070 62.300 -0.076 0.000 1.024 162 V CB -1.169 30.642 31.823 -0.020 0.000 0.651 162 V HN 0.129 nan 8.190 nan 0.000 0.449 163 E N -0.259 119.899 120.200 -0.071 0.000 2.110 163 E HA -0.255 4.096 4.350 0.002 0.000 0.193 163 E C 2.177 178.695 176.600 -0.136 0.000 0.988 163 E CA 1.773 58.199 56.400 0.044 0.000 0.804 163 E CB -0.122 29.695 29.700 0.195 0.000 0.745 163 E HN 0.588 nan 8.360 nan 0.000 0.458 164 M N -0.373 118.828 119.600 -0.665 0.000 2.065 164 M HA -0.254 4.227 4.480 0.002 0.000 0.259 164 M C 2.325 178.170 176.300 -0.759 0.000 1.071 164 M CA 1.802 56.271 55.300 -1.386 0.000 1.109 164 M CB -0.466 31.037 32.600 -1.829 0.000 1.313 164 M HN 0.136 nan 8.290 nan 0.000 0.408 165 Y N 1.170 121.108 120.300 -0.604 0.000 2.114 165 Y HA -0.311 4.240 4.550 0.002 0.000 0.282 165 Y C 1.731 177.409 175.900 -0.369 0.000 1.165 165 Y CA 2.571 60.433 58.100 -0.396 0.000 1.148 165 Y CB -0.715 37.610 38.460 -0.224 0.000 0.972 165 Y HN 0.472 nan 8.280 nan 0.000 0.504 166 N N -1.390 117.079 118.700 -0.384 0.000 2.058 166 N HA -0.272 4.469 4.740 0.002 0.000 0.191 166 N C 1.785 176.644 175.510 -1.085 0.000 1.037 166 N CA 1.227 53.873 53.050 -0.674 0.000 0.848 166 N CB -0.511 37.682 38.487 -0.490 0.000 1.021 166 N HN 0.485 nan 8.380 nan 0.000 0.422 167 H N 0.970 119.445 119.070 -0.991 0.000 2.265 167 H HA -0.111 4.446 4.556 0.002 0.000 0.293 167 H C 2.046 177.081 175.328 -0.488 0.000 1.089 167 H CA 1.721 57.366 56.048 -0.671 0.000 1.244 167 H CB -0.186 29.613 29.762 0.061 0.000 1.355 167 H HN 0.122 nan 8.280 nan 0.000 0.485 168 L N -0.765 120.334 121.223 -0.206 0.000 2.093 168 L HA -0.156 4.185 4.340 0.002 0.000 0.208 168 L C 2.483 179.169 176.870 -0.307 0.000 1.085 168 L CA 1.584 56.321 54.840 -0.172 0.000 0.755 168 L CB -0.310 41.618 42.059 -0.218 0.000 0.904 168 L HN 0.404 nan 8.230 nan 0.000 0.435 169 T N -0.568 113.675 114.554 -0.518 0.000 2.942 169 T HA -0.070 4.282 4.350 0.002 0.000 0.265 169 T C 0.909 175.405 174.700 -0.341 0.000 1.062 169 T CA 1.126 62.927 62.100 -0.499 0.000 1.139 169 T CB -0.197 68.175 68.868 -0.826 0.000 0.883 169 T HN 0.443 nan 8.240 nan 0.000 0.468 170 N N 1.588 120.011 118.700 -0.462 0.000 2.401 170 N HA 0.203 4.944 4.740 0.002 0.000 0.264 170 N C -1.136 174.192 175.510 -0.304 0.000 1.238 170 N CA -0.378 52.500 53.050 -0.287 0.000 0.889 170 N CB 0.208 38.580 38.487 -0.191 0.000 1.196 170 N HN 0.364 nan 8.380 nan 0.000 0.511 171 D N -0.172 120.062 120.400 -0.276 0.000 8.267 171 D HA -0.225 4.416 4.640 0.002 0.000 0.138 171 D C -0.469 175.745 176.300 -0.143 0.000 1.262 171 D CA 0.101 53.965 54.000 -0.227 0.000 0.885 171 D CB -0.156 40.603 40.800 -0.068 0.000 1.723 171 D HN 0.353 nan 8.370 nan 0.000 0.984 172 W N 2.886 123.926 121.300 -0.432 0.000 3.391 172 W HA 0.351 5.012 4.660 0.002 0.000 0.275 172 W C 1.748 178.123 176.519 -0.240 0.000 1.318 172 W CA 0.047 57.201 57.345 -0.320 0.000 1.665 172 W CB -1.129 28.179 29.460 -0.252 0.000 1.078 172 W HN 0.845 nan 8.180 nan 0.000 0.732 173 G N 2.491 111.289 108.800 -0.004 0.000 2.602 173 G HA2 -0.421 3.540 3.960 0.002 0.000 0.310 173 G HA3 -0.421 3.540 3.960 0.002 0.000 0.310 173 G C 0.747 175.819 174.900 0.286 0.000 1.183 173 G CA 1.157 46.339 45.100 0.137 0.000 0.979 173 G HN 0.302 nan 8.290 nan 0.000 0.545 174 D N 1.419 121.950 120.400 0.217 0.000 2.388 174 D HA 0.141 4.782 4.640 0.002 0.000 0.221 174 D C 0.817 177.221 176.300 0.172 0.000 1.133 174 D CA 0.279 54.391 54.000 0.186 0.000 0.831 174 D CB -0.105 40.745 40.800 0.084 0.000 0.962 174 D HN 0.645 nan 8.370 nan 0.000 0.502 175 K N 1.342 121.905 120.400 0.272 0.000 2.527 175 K HA -0.080 4.241 4.320 0.002 0.000 0.278 175 K C 0.255 176.989 176.600 0.223 0.000 0.981 175 K CA -0.026 56.402 56.287 0.235 0.000 1.009 175 K CB 0.557 33.234 32.500 0.294 0.000 0.895 175 K HN 0.116 nan 8.250 nan 0.000 0.493 176 E N 2.613 122.858 120.200 0.075 0.000 2.452 176 E HA -0.070 4.281 4.350 0.002 0.000 0.261 176 E C -0.671 175.956 176.600 0.044 0.000 0.987 176 E CA 0.339 56.712 56.400 -0.046 0.000 0.926 176 E CB 0.308 29.982 29.700 -0.044 0.000 0.934 176 E HN 0.497 nan 8.360 nan 0.000 0.452 177 H N 2.995 121.879 119.070 -0.309 0.000 2.767 177 H HA 0.091 4.648 4.556 0.002 0.000 0.316 177 H C -0.227 174.985 175.328 -0.193 0.000 1.059 177 H CA -0.448 55.279 56.048 -0.535 0.000 1.461 177 H CB 0.641 29.477 29.762 -1.544 0.000 1.475 177 H HN 0.409 nan 8.280 nan 0.000 0.531 178 E N 3.343 123.672 120.200 0.215 0.000 2.257 178 E HA 0.100 4.451 4.350 0.002 0.000 0.278 178 E C -0.287 176.457 176.600 0.240 0.000 1.049 178 E CA -0.255 56.270 56.400 0.208 0.000 0.876 178 E CB 0.713 30.530 29.700 0.196 0.000 1.035 178 E HN 0.405 nan 8.360 nan 0.000 0.419 179 I N 7.037 127.722 120.570 0.191 0.000 2.325 179 I HA 0.206 4.377 4.170 0.002 0.000 0.291 179 I C -1.916 174.349 176.117 0.246 0.000 1.019 179 I CA -2.191 59.228 61.300 0.198 0.000 1.302 179 I CB 0.796 38.887 38.000 0.151 0.000 1.401 179 I HN 0.300 nan 8.210 nan 0.000 0.485 180 P HA 0.269 nan 4.420 nan 0.000 0.276 180 P C -1.182 176.223 177.300 0.175 0.000 1.244 180 P CA -0.102 63.004 63.100 0.010 0.000 0.801 180 P CB 0.608 32.305 31.700 -0.005 0.000 1.006 181 F N -1.692 118.363 119.950 0.175 0.000 2.576 181 F HA 0.571 5.099 4.527 0.002 0.000 0.313 181 F C -0.500 175.413 175.800 0.188 0.000 1.078 181 F CA -1.316 56.813 58.000 0.216 0.000 0.921 181 F CB 1.219 40.401 39.000 0.303 0.000 1.232 181 F HN 0.046 nan 8.300 nan 0.000 0.459 182 D N 3.157 123.815 120.400 0.429 0.000 2.373 182 D HA 0.246 4.888 4.640 0.002 0.000 0.227 182 D C 0.873 177.365 176.300 0.319 0.000 1.091 182 D CA -0.624 53.554 54.000 0.297 0.000 0.840 182 D CB 1.147 42.172 40.800 0.376 0.000 1.060 182 D HN 0.697 nan 8.370 nan 0.000 0.502 183 I N 1.691 122.369 120.570 0.179 0.000 3.241 183 I HA -0.058 4.113 4.170 0.002 0.000 0.280 183 I C 1.394 177.667 176.117 0.260 0.000 1.320 183 I CA 0.287 61.689 61.300 0.170 0.000 1.413 183 I CB -0.408 37.533 38.000 -0.098 0.000 1.060 183 I HN 0.285 nan 8.210 nan 0.000 0.500 184 Y N 2.269 122.589 120.300 0.033 0.000 2.315 184 Y HA -0.165 4.386 4.550 0.002 0.000 0.288 184 Y C 1.361 177.111 175.900 -0.251 0.000 1.154 184 Y CA 1.161 59.056 58.100 -0.342 0.000 1.229 184 Y CB -0.229 37.886 38.460 -0.575 0.000 0.980 184 Y HN 0.311 nan 8.280 nan 0.000 0.540 185 H N 1.595 120.793 119.070 0.213 0.000 2.690 185 H HA 0.087 4.644 4.556 0.002 0.000 0.314 185 H C -1.504 173.897 175.328 0.122 0.000 1.069 185 H CA -2.006 54.140 56.048 0.162 0.000 1.436 185 H CB 0.696 30.585 29.762 0.212 0.000 1.462 185 H HN 0.175 nan 8.280 nan 0.000 0.511 186 P HA -0.165 nan 4.420 nan 0.000 0.218 186 P C 1.283 178.671 177.300 0.147 0.000 1.148 186 P CA 1.388 64.562 63.100 0.123 0.000 0.822 186 P CB 0.231 31.982 31.700 0.084 0.000 0.784 187 A N 0.039 122.975 122.820 0.193 0.000 1.845 187 A HA -0.155 4.167 4.320 0.002 0.000 0.215 187 A C 2.441 180.161 177.584 0.227 0.000 1.195 187 A CA 2.594 54.767 52.037 0.227 0.000 0.616 187 A CB -1.956 17.186 19.000 0.236 0.000 0.832 187 A HN 0.164 nan 8.150 nan 0.000 0.443 188 T N -0.781 113.982 114.554 0.350 0.000 2.684 188 T HA -0.190 4.162 4.350 0.002 0.000 0.267 188 T C 2.079 176.825 174.700 0.078 0.000 1.036 188 T CA 1.790 64.044 62.100 0.258 0.000 1.148 188 T CB -0.260 68.896 68.868 0.479 0.000 0.863 188 T HN 0.568 nan 8.240 nan 0.000 0.436 189 R N 0.751 121.331 120.500 0.134 0.000 2.091 189 R HA -0.126 4.215 4.340 0.002 0.000 0.238 189 R C 2.386 178.748 176.300 0.103 0.000 1.136 189 R CA 1.641 57.802 56.100 0.102 0.000 0.959 189 R CB -0.129 30.260 30.300 0.149 0.000 0.856 189 R HN 0.083 nan 8.270 nan 0.000 0.437 190 K N 0.034 120.474 120.400 0.067 0.000 2.026 190 K HA -0.163 4.158 4.320 0.002 0.000 0.208 190 K C 1.723 178.260 176.600 -0.105 0.000 1.048 190 K CA 1.653 57.959 56.287 0.032 0.000 0.929 190 K CB -0.654 31.858 32.500 0.021 0.000 0.713 190 K HN 0.211 nan 8.250 nan 0.000 0.439 191 F N 0.197 119.854 119.950 -0.488 0.000 2.120 191 F HA -0.226 4.302 4.527 0.002 0.000 0.300 191 F C 1.727 177.258 175.800 -0.449 0.000 1.095 191 F CA 1.504 59.043 58.000 -0.769 0.000 1.249 191 F CB -0.396 37.495 39.000 -1.850 0.000 0.995 191 F HN -0.133 nan 8.300 nan 0.000 0.480 192 V N -0.290 119.421 119.914 -0.338 0.000 2.270 192 V HA -0.293 3.828 4.120 0.002 0.000 0.245 192 V C 2.252 178.197 176.094 -0.249 0.000 1.043 192 V CA 2.119 64.252 62.300 -0.277 0.000 1.014 192 V CB -0.879 30.850 31.823 -0.157 0.000 0.645 192 V HN 0.269 nan 8.190 nan 0.000 0.447 193 F N 0.527 120.442 119.950 -0.058 0.000 2.234 193 F HA -0.114 4.414 4.527 0.002 0.000 0.299 193 F C 2.224 178.010 175.800 -0.023 0.000 1.087 193 F CA 1.463 59.472 58.000 0.014 0.000 1.340 193 F CB -0.613 38.381 39.000 -0.011 0.000 1.031 193 F HN 0.213 nan 8.300 nan 0.000 0.500 194 D N -0.630 119.781 120.400 0.019 0.000 2.117 194 D HA -0.120 4.521 4.640 0.002 0.000 0.198 194 D C 2.316 178.546 176.300 -0.117 0.000 0.982 194 D CA 1.718 55.680 54.000 -0.063 0.000 0.828 194 D CB -0.759 39.963 40.800 -0.129 0.000 0.967 194 D HN 0.143 nan 8.370 nan 0.000 0.464 195 T N 0.453 114.826 114.554 -0.302 0.000 2.746 195 T HA -0.154 4.197 4.350 0.002 0.000 0.267 195 T C 1.638 176.398 174.700 0.099 0.000 1.039 195 T CA 0.601 62.546 62.100 -0.258 0.000 1.142 195 T CB -0.376 68.072 68.868 -0.700 0.000 0.866 195 T HN 0.088 nan 8.240 nan 0.000 0.444 196 F N 1.942 121.877 119.950 -0.025 0.000 2.234 196 F HA 0.038 4.566 4.527 0.002 0.000 0.299 196 F C 2.304 178.162 175.800 0.097 0.000 1.087 196 F CA 0.961 58.952 58.000 -0.015 0.000 1.340 196 F CB -0.322 38.601 39.000 -0.128 0.000 1.031 196 F HN 0.201 nan 8.300 nan 0.000 0.500 197 E N -0.438 119.744 120.200 -0.031 0.000 2.072 197 E HA -0.288 4.064 4.350 0.002 0.000 0.191 197 E C 2.148 178.702 176.600 -0.077 0.000 0.985 197 E CA 1.197 57.533 56.400 -0.106 0.000 0.801 197 E CB -0.181 29.510 29.700 -0.015 0.000 0.750 197 E HN 0.406 nan 8.360 nan 0.000 0.452 198 Q N 0.008 119.810 119.800 0.004 0.000 2.083 198 Q HA -0.154 4.188 4.340 0.002 0.000 0.198 198 Q C 1.626 177.682 176.000 0.093 0.000 0.969 198 Q CA 1.920 57.745 55.803 0.037 0.000 0.838 198 Q CB -0.722 28.047 28.738 0.053 0.000 0.900 198 Q HN 0.511 nan 8.270 nan 0.000 0.436 199 W N 0.101 121.381 121.300 -0.033 0.000 2.363 199 W HA -0.155 4.506 4.660 0.002 0.000 0.296 199 W C 1.387 177.843 176.519 -0.104 0.000 1.212 199 W CA 1.424 58.784 57.345 0.025 0.000 1.260 199 W CB -0.146 29.445 29.460 0.219 0.000 1.131 199 W HN 0.208 nan 8.180 nan 0.000 0.530 200 L N 0.764 121.980 121.223 -0.011 0.000 2.012 200 L HA -0.270 4.071 4.340 0.002 0.000 0.210 200 L C 2.638 179.365 176.870 -0.239 0.000 1.073 200 L CA 1.765 56.468 54.840 -0.228 0.000 0.748 200 L CB -0.851 41.006 42.059 -0.335 0.000 0.891 200 L HN -0.077 nan 8.230 nan 0.000 0.431 201 K N -0.285 120.021 120.400 -0.157 0.000 2.103 201 K HA -0.180 4.141 4.320 0.002 0.000 0.207 201 K C 1.273 177.784 176.600 -0.149 0.000 1.048 201 K CA 1.383 57.596 56.287 -0.124 0.000 0.930 201 K CB -0.187 32.268 32.500 -0.074 0.000 0.716 201 K HN 0.297 nan 8.250 nan 0.000 0.444 202 D N 0.060 120.356 120.400 -0.173 0.000 2.349 202 D HA 0.007 4.648 4.640 0.002 0.000 0.224 202 D C -0.161 175.961 176.300 -0.296 0.000 1.029 202 D CA 0.555 54.445 54.000 -0.182 0.000 0.879 202 D CB 0.446 41.186 40.800 -0.099 0.000 0.906 202 D HN -0.089 nan 8.370 nan 0.000 0.528 203 S N 1.059 116.510 115.700 -0.414 0.000 2.204 203 S HA 0.155 4.626 4.470 0.002 0.000 0.178 203 S C -1.752 172.672 174.600 -0.293 0.000 1.493 203 S CA -0.864 57.061 58.200 -0.459 0.000 1.266 203 S CB 1.703 64.336 63.200 -0.946 0.000 1.232 203 S HN 0.092 nan 8.310 nan 0.000 0.406 204 P HA -0.143 nan 4.420 nan 0.000 0.220 204 P C 0.785 178.032 177.300 -0.088 0.000 1.148 204 P CA 1.166 64.191 63.100 -0.124 0.000 0.803 204 P CB 0.201 31.844 31.700 -0.095 0.000 0.782 205 Q N -0.947 118.804 119.800 -0.081 0.000 2.360 205 Q HA 0.074 4.416 4.340 0.002 0.000 0.202 205 Q C 0.256 176.249 176.000 -0.012 0.000 0.915 205 Q CA 0.292 56.074 55.803 -0.034 0.000 0.943 205 Q CB -0.167 28.560 28.738 -0.017 0.000 1.064 205 Q HN 0.171 nan 8.270 nan 0.000 0.511 206 T N 1.827 116.353 114.554 -0.047 0.000 2.834 206 T HA 0.015 4.366 4.350 0.002 0.000 0.298 206 T C 0.342 175.060 174.700 0.031 0.000 0.966 206 T CA -0.058 62.043 62.100 0.002 0.000 1.141 206 T CB 0.777 69.619 68.868 -0.044 0.000 0.905 206 T HN 0.111 nan 8.240 nan 0.000 0.535 207 D N 1.754 122.202 120.400 0.080 0.000 2.324 207 D HA 0.094 4.735 4.640 0.002 0.000 0.212 207 D C 0.336 176.681 176.300 0.075 0.000 0.984 207 D CA 0.655 54.706 54.000 0.085 0.000 0.885 207 D CB 0.597 41.465 40.800 0.113 0.000 0.996 207 D HN 0.270 nan 8.370 nan 0.000 0.505 208 V N 1.926 121.866 119.914 0.043 0.000 2.525 208 V HA 0.224 4.345 4.120 0.002 0.000 0.299 208 V C -0.091 175.950 176.094 -0.089 0.000 1.034 208 V CA -0.836 61.411 62.300 -0.089 0.000 0.863 208 V CB 2.593 34.164 31.823 -0.419 0.000 0.999 208 V HN -0.241 nan 8.190 nan 0.000 0.423 209 V N 5.326 125.183 119.914 -0.095 0.000 2.368 209 V HA 0.366 4.487 4.120 0.002 0.000 0.266 209 V C 0.645 176.458 176.094 -0.468 0.000 1.045 209 V CA -0.407 61.745 62.300 -0.246 0.000 0.899 209 V CB 0.898 32.514 31.823 -0.346 0.000 1.006 209 V HN 0.812 nan 8.190 nan 0.000 0.470 210 R N 5.186 125.443 120.500 -0.405 0.000 2.408 210 R HA 0.302 4.643 4.340 0.002 0.000 0.308 210 R C -0.964 175.064 176.300 -0.453 0.000 1.210 210 R CA -0.507 55.390 56.100 -0.338 0.000 1.115 210 R CB 0.034 30.215 30.300 -0.198 0.000 1.127 210 R HN 0.502 nan 8.270 nan 0.000 0.523 211 F N 2.165 121.918 119.950 -0.328 0.000 2.541 211 F HA 0.084 4.613 4.527 0.002 0.000 0.378 211 F C 0.793 176.268 175.800 -0.542 0.000 1.068 211 F CA 0.592 58.270 58.000 -0.536 0.000 1.199 211 F CB 1.361 39.865 39.000 -0.827 0.000 1.091 211 F HN 0.270 nan 8.300 nan 0.000 0.555 212 T N 2.267 116.601 114.554 -0.367 0.000 3.410 212 T HA 0.263 4.614 4.350 0.002 0.000 0.328 212 T C 0.415 175.059 174.700 -0.093 0.000 1.567 212 T CA -0.379 61.590 62.100 -0.218 0.000 1.626 212 T CB 0.595 69.268 68.868 -0.325 0.000 0.939 212 T HN 0.622 nan 8.240 nan 0.000 0.656 213 T N 0.151 114.626 114.554 -0.132 0.000 2.995 213 T HA 0.523 4.874 4.350 0.002 0.000 0.170 213 T C -0.033 174.222 174.700 -0.742 0.000 0.844 213 T CA 0.106 61.983 62.100 -0.372 0.000 1.137 213 T CB 0.207 68.995 68.868 -0.135 0.000 2.193 213 T HN 0.219 nan 8.240 nan 0.000 0.384 214 F N -0.710 119.051 119.950 -0.314 0.000 2.087 214 F HA 0.519 5.048 4.527 0.002 0.000 0.204 214 F C 0.851 176.195 175.800 -0.759 0.000 1.295 214 F CA -0.788 56.691 58.000 -0.869 0.000 1.260 214 F CB -0.183 38.095 39.000 -1.204 0.000 1.902 214 F HN 0.131 nan 8.300 nan 0.000 0.150 215 F N -1.839 118.145 119.950 0.056 0.000 2.712 215 F HA 0.306 4.834 4.527 0.002 0.000 0.297 215 F C -0.774 174.706 175.800 -0.532 0.000 1.114 215 F CA -0.661 57.169 58.000 -0.283 0.000 1.305 215 F CB -0.207 38.572 39.000 -0.369 0.000 1.086 215 F HN -0.100 nan 8.300 nan 0.000 0.599 216 Y N 1.105 121.510 120.300 0.175 0.000 2.396 216 Y HA 0.337 4.888 4.550 0.002 0.000 0.332 216 Y C -0.006 175.901 175.900 0.012 0.000 1.034 216 Y CA -2.124 56.036 58.100 0.101 0.000 1.057 216 Y CB 1.045 39.579 38.460 0.123 0.000 1.220 216 Y HN -0.018 nan 8.280 nan 0.000 0.440 217 Q N 2.661 122.522 119.800 0.102 0.000 2.432 217 Q HA 0.293 4.634 4.340 0.002 0.000 0.264 217 Q C -0.497 175.470 176.000 -0.054 0.000 1.035 217 Q CA -0.454 55.308 55.803 -0.069 0.000 0.908 217 Q CB 0.610 29.236 28.738 -0.187 0.000 1.280 217 Q HN 0.542 nan 8.270 nan 0.000 0.455 218 F N -1.083 118.852 119.950 -0.024 0.000 2.403 218 F HA 0.357 4.885 4.527 0.002 0.000 0.320 218 F C 0.024 175.821 175.800 -0.004 0.000 1.176 218 F CA -1.161 56.793 58.000 -0.077 0.000 1.206 218 F CB 0.004 38.918 39.000 -0.144 0.000 1.235 218 F HN 0.429 nan 8.300 nan 0.000 0.565 219 T N 3.632 118.340 114.554 0.257 0.000 2.792 219 T HA 0.340 4.691 4.350 0.002 0.000 0.286 219 T C -0.661 174.136 174.700 0.161 0.000 0.970 219 T CA 0.292 62.481 62.100 0.149 0.000 1.187 219 T CB -0.222 68.743 68.868 0.161 0.000 0.915 219 T HN 0.600 nan 8.240 nan 0.000 0.529 220 L N 5.641 126.874 121.223 0.016 0.000 2.661 220 L HA 0.514 4.855 4.340 0.002 0.000 0.263 220 L C -1.668 175.251 176.870 0.081 0.000 0.956 220 L CA -0.312 54.561 54.840 0.055 0.000 0.918 220 L CB 1.078 43.122 42.059 -0.025 0.000 1.280 220 L HN 0.578 nan 8.230 nan 0.000 0.416 221 L N 4.225 125.503 121.223 0.091 0.000 2.370 221 L HA 0.632 4.973 4.340 0.002 0.000 0.266 221 L C -1.103 175.904 176.870 0.227 0.000 1.002 221 L CA -0.569 54.364 54.840 0.155 0.000 0.818 221 L CB 2.157 44.221 42.059 0.008 0.000 1.325 221 L HN 0.364 nan 8.230 nan 0.000 0.418 222 F N 0.302 120.341 119.950 0.148 0.000 2.538 222 F HA 0.406 4.934 4.527 0.002 0.000 0.325 222 F C 0.231 176.163 175.800 0.219 0.000 1.066 222 F CA -0.705 57.386 58.000 0.151 0.000 0.946 222 F CB 1.703 40.818 39.000 0.192 0.000 1.199 222 F HN 0.535 nan 8.300 nan 0.000 0.473 223 D N 0.007 120.505 120.400 0.163 0.000 2.529 223 D HA 0.134 4.775 4.640 0.002 0.000 0.273 223 D C 0.786 177.162 176.300 0.127 0.000 1.197 223 D CA -0.423 53.640 54.000 0.106 0.000 1.070 223 D CB 0.238 41.008 40.800 -0.050 0.000 1.134 223 D HN 0.536 nan 8.370 nan 0.000 0.590 224 E N 0.204 120.463 120.200 0.099 0.000 2.347 224 E HA -0.193 4.159 4.350 0.002 0.000 0.196 224 E C 0.570 177.190 176.600 0.033 0.000 1.008 224 E CA 0.887 57.371 56.400 0.141 0.000 0.852 224 E CB -0.303 29.470 29.700 0.120 0.000 0.783 224 E HN 0.530 nan 8.360 nan 0.000 0.505 225 K N 0.943 121.321 120.400 -0.036 0.000 2.504 225 K HA 0.158 4.480 4.320 0.002 0.000 0.199 225 K C -0.177 176.328 176.600 -0.159 0.000 1.028 225 K CA -0.004 56.240 56.287 -0.071 0.000 1.164 225 K CB -0.034 32.435 32.500 -0.052 0.000 0.877 225 K HN 0.065 nan 8.250 nan 0.000 0.508 226 R N 0.388 120.685 120.500 -0.338 0.000 3.641 226 R HA -0.215 4.127 4.340 0.002 0.000 0.286 226 R C -0.700 175.561 176.300 -0.064 0.000 1.153 226 R CA 0.709 56.500 56.100 -0.515 0.000 0.775 226 R CB -2.082 27.877 30.300 -0.569 0.000 1.215 226 R HN 0.240 nan 8.270 nan 0.000 0.474 227 R N 1.003 121.451 120.500 -0.087 0.000 2.643 227 R HA 0.277 4.618 4.340 0.002 0.000 0.272 227 R C 0.082 175.955 176.300 -0.711 0.000 0.995 227 R CA -1.056 54.923 56.100 -0.200 0.000 1.032 227 R CB 0.845 31.043 30.300 -0.171 0.000 1.126 227 R HN 0.163 nan 8.270 nan 0.000 0.505 228 E N 1.818 121.368 120.200 -1.083 0.000 2.529 228 E HA -0.147 4.204 4.350 0.002 0.000 0.259 228 E C 0.160 176.422 176.600 -0.563 0.000 0.966 228 E CA 0.476 56.132 56.400 -1.242 0.000 0.937 228 E CB 0.698 30.004 29.700 -0.657 0.000 0.923 228 E HN 0.438 nan 8.360 nan 0.000 0.468 229 K N 2.913 123.062 120.400 -0.418 0.000 2.273 229 K HA 0.137 4.458 4.320 0.002 0.000 0.206 229 K C -0.462 176.058 176.600 -0.133 0.000 1.072 229 K CA 0.308 56.482 56.287 -0.187 0.000 0.953 229 K CB 0.822 33.281 32.500 -0.069 0.000 1.043 229 K HN 0.371 nan 8.250 nan 0.000 0.477 230 V N 1.473 121.305 119.914 -0.136 0.000 2.760 230 V HA 0.451 4.572 4.120 0.002 0.000 0.309 230 V C -1.278 174.783 176.094 -0.055 0.000 1.077 230 V CA -0.950 61.278 62.300 -0.120 0.000 0.910 230 V CB 1.726 33.364 31.823 -0.308 0.000 1.008 230 V HN -0.021 nan 8.190 nan 0.000 0.424 231 V N 3.115 123.043 119.914 0.023 0.000 2.808 231 V HA 0.805 4.926 4.120 0.002 0.000 0.308 231 V C -1.991 174.211 176.094 0.179 0.000 1.099 231 V CA -0.152 62.226 62.300 0.131 0.000 0.920 231 V CB 2.239 34.146 31.823 0.139 0.000 1.014 231 V HN 1.032 nan 8.190 nan 0.000 0.425 232 D N 4.306 124.861 120.400 0.258 0.000 2.470 232 D HA 0.158 4.799 4.640 0.002 0.000 0.233 232 D C -0.042 176.363 176.300 0.176 0.000 1.372 232 D CA -0.404 53.741 54.000 0.243 0.000 0.994 232 D CB 1.185 42.149 40.800 0.273 0.000 1.377 232 D HN 0.578 nan 8.370 nan 0.000 0.586 233 W N 3.789 124.872 121.300 -0.362 0.000 2.421 233 W HA -0.004 4.657 4.660 0.002 0.000 0.270 233 W C 0.626 176.812 176.519 -0.554 0.000 1.233 233 W CA 0.872 57.681 57.345 -0.895 0.000 1.226 233 W CB -0.058 28.749 29.460 -1.089 0.000 1.121 233 W HN 0.396 nan 8.180 nan 0.000 0.579 234 F N -0.609 119.437 119.950 0.159 0.000 2.678 234 F HA 0.420 4.948 4.527 0.002 0.000 0.305 234 F C 1.546 177.273 175.800 -0.122 0.000 1.090 234 F CA -0.033 57.941 58.000 -0.043 0.000 1.272 234 F CB -0.861 38.129 39.000 -0.016 0.000 1.060 234 F HN -0.257 nan 8.300 nan 0.000 0.576 235 G N 0.108 108.988 108.800 0.134 0.000 2.444 235 G HA2 0.345 4.306 3.960 0.002 0.000 0.268 235 G HA3 0.345 4.306 3.960 0.002 0.000 0.268 235 G C 0.091 175.050 174.900 0.098 0.000 1.203 235 G CA -0.383 44.806 45.100 0.147 0.000 0.835 235 G HN 0.474 nan 8.290 nan 0.000 0.543 236 C N 1.342 120.718 119.300 0.126 0.000 2.513 236 C HA 0.670 5.131 4.460 0.002 0.000 0.281 236 C C 1.948 177.047 174.990 0.182 0.000 1.501 236 C CA -0.337 58.765 59.018 0.140 0.000 1.749 236 C CB -0.607 27.250 27.740 0.196 0.000 2.955 236 C HN 0.817 nan 8.230 nan 0.000 0.532 237 A N 0.026 122.940 122.820 0.157 0.000 1.908 237 A HA -0.106 4.215 4.320 0.002 0.000 0.218 237 A C 1.430 179.014 177.584 0.000 0.000 1.181 237 A CA 1.817 53.937 52.037 0.138 0.000 0.627 237 A CB -0.815 18.281 19.000 0.160 0.000 0.818 237 A HN 0.797 nan 8.150 nan 0.000 0.445 238 C N 0.882 120.188 119.300 0.010 0.000 2.687 238 C HA 0.432 4.893 4.460 0.002 0.000 0.465 238 C C 1.507 176.520 174.990 0.038 0.000 1.304 238 C CA 0.382 59.393 59.018 -0.013 0.000 1.620 238 C CB -1.869 25.876 27.740 0.009 0.000 2.212 238 C HN 0.670 nan 8.230 nan 0.000 0.616 239 T N -3.579 110.941 114.554 -0.056 0.000 3.403 239 T HA 0.262 4.613 4.350 0.002 0.000 0.308 239 T C 0.014 174.676 174.700 -0.063 0.000 0.952 239 T CA -0.006 62.002 62.100 -0.153 0.000 0.970 239 T CB -0.521 68.216 68.868 -0.219 0.000 1.189 239 T HN 0.317 nan 8.240 nan 0.000 0.528 240 V N 0.066 119.853 119.914 -0.211 0.000 2.966 240 V HA 1.024 5.145 4.120 0.002 0.000 0.317 240 V C -0.298 175.655 176.094 -0.234 0.000 1.070 240 V CA -0.441 61.658 62.300 -0.335 0.000 1.008 240 V CB 1.455 32.755 31.823 -0.872 0.000 1.070 240 V HN 0.783 nan 8.190 nan 0.000 0.457 241 S N 0.298 115.868 115.700 -0.216 0.000 2.587 241 S HA 0.590 5.061 4.470 0.002 0.000 0.269 241 S C -2.579 171.933 174.600 -0.146 0.000 1.154 241 S CA -0.761 57.353 58.200 -0.143 0.000 0.824 241 S CB 1.279 64.508 63.200 0.049 0.000 1.118 241 S HN 0.451 nan 8.310 nan 0.000 0.462 242 P HA -0.099 nan 4.420 nan 0.000 0.215 242 P C 1.607 178.963 177.300 0.093 0.000 1.157 242 P CA 1.335 64.250 63.100 -0.309 0.000 0.874 242 P CB 0.023 31.338 31.700 -0.641 0.000 0.790 243 R N -0.458 120.130 120.500 0.146 0.000 2.073 243 R HA -0.095 4.247 4.340 0.002 0.000 0.234 243 R C 2.182 178.622 176.300 0.232 0.000 1.134 243 R CA 1.684 57.940 56.100 0.260 0.000 0.952 243 R CB -0.941 29.586 30.300 0.378 0.000 0.850 243 R HN 0.058 nan 8.270 nan 0.000 0.433 244 A N 0.843 123.636 122.820 -0.045 0.000 1.883 244 A HA -0.159 4.162 4.320 0.002 0.000 0.217 244 A C 2.175 179.910 177.584 0.251 0.000 1.186 244 A CA 1.393 53.291 52.037 -0.230 0.000 0.624 244 A CB -0.628 18.047 19.000 -0.542 0.000 0.822 244 A HN 0.347 nan 8.150 nan 0.000 0.444 245 L N -0.592 120.768 121.223 0.228 0.000 2.046 245 L HA -0.187 4.154 4.340 0.002 0.000 0.208 245 L C 2.083 179.124 176.870 0.285 0.000 1.077 245 L CA 1.443 56.445 54.840 0.269 0.000 0.747 245 L CB -0.619 41.568 42.059 0.214 0.000 0.896 245 L HN 0.307 nan 8.230 nan 0.000 0.432 246 D N -0.174 120.397 120.400 0.286 0.000 2.117 246 D HA -0.157 4.484 4.640 0.002 0.000 0.198 246 D C 1.793 178.212 176.300 0.198 0.000 0.982 246 D CA 1.075 55.221 54.000 0.243 0.000 0.828 246 D CB -0.211 40.748 40.800 0.266 0.000 0.967 246 D HN 0.269 nan 8.370 nan 0.000 0.464 247 D N 0.043 120.582 120.400 0.231 0.000 2.117 247 D HA -0.143 4.498 4.640 0.002 0.000 0.197 247 D C 1.851 178.172 176.300 0.036 0.000 0.987 247 D CA 0.365 54.488 54.000 0.205 0.000 0.829 247 D CB -0.588 40.454 40.800 0.404 0.000 0.961 247 D HN 0.195 nan 8.370 nan 0.000 0.460 248 F N 1.839 121.617 119.950 -0.287 0.000 2.091 248 F HA -0.242 4.286 4.527 0.002 0.000 0.299 248 F C 2.338 178.024 175.800 -0.190 0.000 1.103 248 F CA 1.961 59.636 58.000 -0.542 0.000 1.228 248 F CB -0.040 38.643 39.000 -0.529 0.000 0.984 248 F HN -0.082 nan 8.300 nan 0.000 0.477 249 E N 0.196 120.489 120.200 0.156 0.000 2.097 249 E HA -0.279 4.072 4.350 0.002 0.000 0.196 249 E C 2.241 178.807 176.600 -0.057 0.000 1.000 249 E CA 1.200 57.631 56.400 0.052 0.000 0.804 249 E CB -0.376 29.392 29.700 0.114 0.000 0.740 249 E HN 0.518 nan 8.360 nan 0.000 0.454 250 A N 1.174 123.975 122.820 -0.031 0.000 1.877 250 A HA -0.210 4.111 4.320 0.002 0.000 0.216 250 A C 2.047 179.563 177.584 -0.113 0.000 1.186 250 A CA 1.865 53.879 52.037 -0.037 0.000 0.620 250 A CB -0.361 18.643 19.000 0.007 0.000 0.822 250 A HN 0.175 nan 8.150 nan 0.000 0.443 251 K N -1.933 118.352 120.400 -0.192 0.000 2.103 251 K HA -0.072 4.249 4.320 0.002 0.000 0.204 251 K C 1.537 177.838 176.600 -0.498 0.000 1.052 251 K CA 1.589 57.684 56.287 -0.320 0.000 0.945 251 K CB -0.224 32.071 32.500 -0.343 0.000 0.722 251 K HN 0.646 nan 8.250 nan 0.000 0.443 252 Y N -0.586 119.382 120.300 -0.553 0.000 2.478 252 Y HA 0.153 4.704 4.550 0.002 0.000 0.261 252 Y C 1.355 177.138 175.900 -0.196 0.000 1.127 252 Y CA 0.349 58.146 58.100 -0.505 0.000 1.288 252 Y CB 1.119 38.951 38.460 -1.047 0.000 1.084 252 Y HN 0.235 nan 8.280 nan 0.000 0.530 253 G N 0.155 108.920 108.800 -0.058 0.000 2.136 253 G HA2 -0.309 3.652 3.960 0.002 0.000 0.242 253 G HA3 -0.309 3.652 3.960 0.002 0.000 0.242 253 G C -0.364 174.663 174.900 0.212 0.000 0.989 253 G CA 0.364 45.506 45.100 0.069 0.000 0.682 253 G HN 0.529 nan 8.290 nan 0.000 0.522 254 Y N -2.524 117.832 120.300 0.094 0.000 2.592 254 Y HA 0.786 5.337 4.550 0.002 0.000 0.334 254 Y C -0.522 175.510 175.900 0.221 0.000 1.136 254 Y CA -1.828 56.351 58.100 0.133 0.000 1.042 254 Y CB 0.906 39.440 38.460 0.124 0.000 1.325 254 Y HN 0.213 nan 8.280 nan 0.000 0.457 255 R N 3.467 124.114 120.500 0.244 0.000 2.254 255 R HA 0.557 4.898 4.340 0.002 0.000 0.318 255 R C -1.120 175.303 176.300 0.206 0.000 1.031 255 R CA -0.587 55.617 56.100 0.173 0.000 0.905 255 R CB 0.625 31.005 30.300 0.134 0.000 1.050 255 R HN 0.908 nan 8.270 nan 0.000 0.456 256 L N 4.370 125.652 121.223 0.099 0.000 2.485 256 L HA 0.170 4.511 4.340 0.002 0.000 0.275 256 L C 0.877 177.779 176.870 0.054 0.000 1.207 256 L CA 0.342 55.205 54.840 0.038 0.000 0.855 256 L CB 0.411 42.378 42.059 -0.153 0.000 1.114 256 L HN 0.535 nan 8.230 nan 0.000 0.485 257 R N 3.110 123.612 120.500 0.003 0.000 2.500 257 R HA 0.184 4.525 4.340 0.002 0.000 0.275 257 R C -1.545 174.662 176.300 -0.155 0.000 1.051 257 R CA -1.612 54.461 56.100 -0.046 0.000 1.088 257 R CB 0.689 30.957 30.300 -0.053 0.000 1.063 257 R HN 0.328 nan 8.270 nan 0.000 0.511 258 P HA -0.211 nan 4.420 nan 0.000 0.217 258 P C 0.727 177.764 177.300 -0.439 0.000 1.148 258 P CA 1.200 63.818 63.100 -0.804 0.000 0.828 258 P CB 0.297 31.494 31.700 -0.839 0.000 0.783 259 E N -0.090 119.951 120.200 -0.266 0.000 2.160 259 E HA -0.196 4.155 4.350 0.002 0.000 0.195 259 E C 1.358 177.826 176.600 -0.220 0.000 0.991 259 E CA 1.274 57.550 56.400 -0.206 0.000 0.810 259 E CB -0.918 28.697 29.700 -0.142 0.000 0.742 259 E HN 0.210 nan 8.360 nan 0.000 0.466 260 D N -1.280 118.964 120.400 -0.260 0.000 2.348 260 D HA -0.100 4.542 4.640 0.002 0.000 0.216 260 D C 0.943 176.853 176.300 -0.650 0.000 0.970 260 D CA 0.644 54.401 54.000 -0.405 0.000 0.889 260 D CB 0.029 40.556 40.800 -0.455 0.000 0.912 260 D HN 0.289 nan 8.370 nan 0.000 0.524 261 F N -0.124 119.659 119.950 -0.277 0.000 2.479 261 F HA -0.042 4.486 4.527 0.002 0.000 0.280 261 F C 2.407 178.082 175.800 -0.209 0.000 0.982 261 F CA 0.098 57.967 58.000 -0.219 0.000 1.276 261 F CB -0.779 38.120 39.000 -0.168 0.000 1.137 261 F HN -0.194 nan 8.300 nan 0.000 0.660 262 V N -1.407 118.430 119.914 -0.129 0.000 2.515 262 V HA -0.142 3.979 4.120 0.002 0.000 0.250 262 V C 0.726 176.574 176.094 -0.410 0.000 1.058 262 V CA 1.551 63.596 62.300 -0.425 0.000 1.064 262 V CB -0.876 30.699 31.823 -0.412 0.000 0.675 262 V HN 0.548 nan 8.190 nan 0.000 0.461 263 D N 0.594 120.847 120.400 -0.245 0.000 2.723 263 D HA -0.084 4.557 4.640 0.002 0.000 0.236 263 D C 1.136 177.344 176.300 -0.153 0.000 1.138 263 D CA 1.529 55.427 54.000 -0.170 0.000 0.676 263 D CB -1.554 39.177 40.800 -0.116 0.000 1.069 263 D HN 1.674 nan 8.370 nan 0.000 0.430 264 G N -1.155 107.545 108.800 -0.166 0.000 2.168 264 G HA2 -0.013 3.948 3.960 0.002 0.000 0.263 264 G HA3 -0.013 3.948 3.960 0.002 0.000 0.263 264 G C 1.530 176.353 174.900 -0.128 0.000 0.977 264 G CA 0.858 45.884 45.100 -0.123 0.000 0.659 264 G HN 1.785 nan 8.290 nan 0.000 0.533 265 G N -1.556 107.105 108.800 -0.232 0.000 2.201 265 G HA2 0.162 4.123 3.960 0.002 0.000 0.212 265 G HA3 0.162 4.123 3.960 0.002 0.000 0.212 265 G C 1.458 176.330 174.900 -0.046 0.000 0.994 265 G CA 1.173 46.158 45.100 -0.191 0.000 0.644 265 G HN 1.981 nan 8.290 nan 0.000 0.508 266 A N -0.409 122.387 122.820 -0.039 0.000 2.066 266 A HA 0.419 4.740 4.320 0.002 0.000 0.218 266 A C 1.378 179.093 177.584 0.218 0.000 1.157 266 A CA 1.783 53.879 52.037 0.098 0.000 0.670 266 A CB -0.477 18.565 19.000 0.070 0.000 0.804 266 A HN 1.485 nan 8.150 nan 0.000 0.453 267 Y N -1.033 119.305 120.300 0.064 0.000 3.491 267 Y HA -0.251 4.301 4.550 0.002 0.000 0.215 267 Y C 0.574 176.534 175.900 0.099 0.000 1.219 267 Y CA 0.587 58.734 58.100 0.079 0.000 1.485 267 Y CB -2.565 35.950 38.460 0.091 0.000 1.450 267 Y HN 0.592 nan 8.280 nan 0.000 0.603 268 N N -1.416 117.380 118.700 0.159 0.000 2.727 268 N HA -0.208 4.534 4.740 0.002 0.000 0.249 268 N C 0.301 175.962 175.510 0.251 0.000 1.048 268 N CA 1.179 54.327 53.050 0.164 0.000 0.714 268 N CB -0.980 37.579 38.487 0.119 0.000 0.959 268 N HN 0.605 nan 8.380 nan 0.000 0.544 269 S N -0.637 115.231 115.700 0.280 0.000 2.599 269 S HA 0.162 4.633 4.470 0.002 0.000 0.303 269 S C 1.705 176.555 174.600 0.418 0.000 1.267 269 S CA 0.377 58.791 58.200 0.356 0.000 1.055 269 S CB 0.715 64.121 63.200 0.344 0.000 0.790 269 S HN 0.451 nan 8.310 nan 0.000 0.500 270 A N 4.646 127.749 122.820 0.473 0.000 2.076 270 A HA -0.066 4.255 4.320 0.002 0.000 0.220 270 A C 1.517 179.341 177.584 0.400 0.000 1.160 270 A CA 1.376 53.651 52.037 0.396 0.000 0.653 270 A CB -0.791 18.328 19.000 0.198 0.000 0.801 270 A HN 0.989 nan 8.150 nan 0.000 0.455 271 W N 0.418 121.873 121.300 0.258 0.000 2.519 271 W HA 0.064 4.725 4.660 0.002 0.000 0.266 271 W C 0.941 177.452 176.519 -0.014 0.000 1.253 271 W CA 0.249 57.667 57.345 0.121 0.000 1.274 271 W CB 0.068 29.719 29.460 0.318 0.000 1.114 271 W HN 0.048 nan 8.180 nan 0.000 0.596 272 R N 1.020 121.676 120.500 0.260 0.000 2.389 272 R HA 0.138 4.479 4.340 0.002 0.000 0.295 272 R C -0.153 176.115 176.300 -0.053 0.000 1.075 272 R CA -0.325 55.842 56.100 0.112 0.000 1.005 272 R CB 0.602 30.975 30.300 0.121 0.000 0.987 272 R HN -0.245 nan 8.270 nan 0.000 0.452 273 V N 6.635 126.466 119.914 -0.138 0.000 2.509 273 V HA -0.017 4.104 4.120 0.002 0.000 0.297 273 V C -1.406 174.521 176.094 -0.279 0.000 1.014 273 V CA -0.557 61.576 62.300 -0.277 0.000 1.127 273 V CB 0.015 31.710 31.823 -0.212 0.000 0.925 273 V HN 0.628 nan 8.190 nan 0.000 0.480 274 P HA 0.386 nan 4.420 nan 0.000 0.275 274 P C -0.477 176.679 177.300 -0.241 0.000 1.228 274 P CA -0.547 62.356 63.100 -0.328 0.000 0.786 274 P CB 1.336 32.696 31.700 -0.567 0.000 0.927 275 R N 0.915 121.326 120.500 -0.148 0.000 2.719 275 R HA 0.335 4.677 4.340 0.002 0.000 0.233 275 R C 1.820 178.073 176.300 -0.078 0.000 1.257 275 R CA -0.674 55.352 56.100 -0.123 0.000 1.109 275 R CB 0.081 30.315 30.300 -0.111 0.000 1.447 275 R HN 0.335 nan 8.270 nan 0.000 0.537 276 K N 0.531 120.894 120.400 -0.061 0.000 2.074 276 K HA -0.200 4.121 4.320 0.002 0.000 0.209 276 K C 1.650 178.294 176.600 0.073 0.000 1.048 276 K CA 1.985 58.270 56.287 -0.004 0.000 0.926 276 K CB -0.243 32.233 32.500 -0.041 0.000 0.713 276 K HN 0.569 nan 8.250 nan 0.000 0.444 277 A N 0.817 123.664 122.820 0.044 0.000 1.883 277 A HA -0.249 4.072 4.320 0.002 0.000 0.217 277 A C 2.056 179.636 177.584 -0.006 0.000 1.186 277 A CA 1.903 53.982 52.037 0.069 0.000 0.624 277 A CB -0.636 18.333 19.000 -0.052 0.000 0.822 277 A HN 0.454 nan 8.150 nan 0.000 0.444 278 Q N -0.567 119.213 119.800 -0.033 0.000 2.079 278 Q HA -0.053 4.288 4.340 0.002 0.000 0.200 278 Q C 2.281 178.364 176.000 0.138 0.000 0.974 278 Q CA 1.666 57.485 55.803 0.026 0.000 0.840 278 Q CB -0.231 28.529 28.738 0.037 0.000 0.898 278 Q HN 0.659 nan 8.270 nan 0.000 0.430 279 R N 0.304 120.871 120.500 0.111 0.000 2.075 279 R HA -0.110 4.231 4.340 0.002 0.000 0.232 279 R C 1.594 177.988 176.300 0.157 0.000 1.126 279 R CA 1.356 57.539 56.100 0.139 0.000 0.963 279 R CB -0.194 30.156 30.300 0.083 0.000 0.858 279 R HN 0.302 nan 8.270 nan 0.000 0.435 280 D N -0.049 120.444 120.400 0.156 0.000 2.104 280 D HA -0.244 4.397 4.640 0.002 0.000 0.194 280 D C 1.492 177.881 176.300 0.147 0.000 0.994 280 D CA 0.847 54.907 54.000 0.100 0.000 0.830 280 D CB -0.358 40.510 40.800 0.113 0.000 0.959 280 D HN 0.353 nan 8.370 nan 0.000 0.452 281 W N 1.466 122.773 121.300 0.012 0.000 2.358 281 W HA -0.141 4.520 4.660 0.002 0.000 0.303 281 W C 2.051 178.665 176.519 0.159 0.000 1.208 281 W CA 0.700 58.073 57.345 0.047 0.000 1.274 281 W CB -0.375 29.016 29.460 -0.115 0.000 1.138 281 W HN -0.057 nan 8.180 nan 0.000 0.515 282 I N 0.880 121.553 120.570 0.172 0.000 2.151 282 I HA -0.373 3.798 4.170 0.002 0.000 0.243 282 I C 2.136 178.273 176.117 0.032 0.000 1.080 282 I CA 1.961 63.313 61.300 0.086 0.000 1.339 282 I CB -0.692 37.397 38.000 0.148 0.000 1.039 282 I HN -0.157 nan 8.210 nan 0.000 0.409 283 D N 0.271 120.736 120.400 0.108 0.000 2.117 283 D HA -0.211 4.430 4.640 0.002 0.000 0.197 283 D C 1.872 178.282 176.300 0.184 0.000 0.987 283 D CA 1.251 55.344 54.000 0.155 0.000 0.829 283 D CB -0.313 40.631 40.800 0.240 0.000 0.961 283 D HN 0.269 nan 8.370 nan 0.000 0.460 284 F N 1.205 121.148 119.950 -0.011 0.000 2.113 284 F HA -0.105 4.423 4.527 0.002 0.000 0.297 284 F C 2.060 177.761 175.800 -0.166 0.000 1.103 284 F CA 0.735 58.725 58.000 -0.015 0.000 1.248 284 F CB -0.580 38.384 39.000 -0.061 0.000 0.999 284 F HN -0.085 nan 8.300 nan 0.000 0.475 285 L N -0.365 120.518 121.223 -0.567 0.000 2.083 285 L HA -0.133 4.208 4.340 0.002 0.000 0.209 285 L C 2.534 179.294 176.870 -0.183 0.000 1.083 285 L CA 2.169 56.674 54.840 -0.558 0.000 0.752 285 L CB -1.241 40.463 42.059 -0.592 0.000 0.899 285 L HN 0.259 nan 8.230 nan 0.000 0.433 286 S N -0.703 114.933 115.700 -0.107 0.000 2.368 286 S HA -0.074 4.397 4.470 0.002 0.000 0.224 286 S C 1.984 176.578 174.600 -0.009 0.000 1.029 286 S CA 1.004 59.190 58.200 -0.024 0.000 0.988 286 S CB -0.778 62.424 63.200 0.004 0.000 0.838 286 S HN 0.684 nan 8.310 nan 0.000 0.462 287 G N 0.494 109.294 108.800 -0.000 0.000 2.476 287 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 287 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 287 G C 1.277 176.169 174.900 -0.012 0.000 1.164 287 G CA 1.090 46.195 45.100 0.008 0.000 0.768 287 G HN 0.578 nan 8.290 nan 0.000 0.560 288 F N 1.064 120.911 119.950 -0.172 0.000 2.128 288 F HA 0.007 4.535 4.527 0.002 0.000 0.295 288 F C 2.667 178.413 175.800 -0.090 0.000 1.100 288 F CA 1.305 59.209 58.000 -0.160 0.000 1.260 288 F CB -0.375 38.488 39.000 -0.228 0.000 1.009 288 F HN -0.003 nan 8.300 nan 0.000 0.476 289 V N 1.281 121.120 119.914 -0.124 0.000 2.287 289 V HA -0.318 3.804 4.120 0.002 0.000 0.248 289 V C 2.571 178.568 176.094 -0.162 0.000 1.053 289 V CA 2.367 64.614 62.300 -0.089 0.000 1.027 289 V CB -0.721 31.221 31.823 0.198 0.000 0.646 289 V HN 0.291 nan 8.190 nan 0.000 0.447 290 R N -0.306 120.114 120.500 -0.132 0.000 2.091 290 R HA -0.232 4.109 4.340 0.002 0.000 0.238 290 R C 2.418 178.593 176.300 -0.208 0.000 1.136 290 R CA 1.905 57.913 56.100 -0.153 0.000 0.959 290 R CB -0.394 29.859 30.300 -0.078 0.000 0.856 290 R HN 0.679 nan 8.270 nan 0.000 0.437 291 E N 0.605 120.672 120.200 -0.222 0.000 2.097 291 E HA -0.221 4.130 4.350 0.002 0.000 0.196 291 E C 1.465 177.908 176.600 -0.262 0.000 1.000 291 E CA 1.348 57.612 56.400 -0.226 0.000 0.804 291 E CB 0.042 29.612 29.700 -0.217 0.000 0.740 291 E HN 0.335 nan 8.360 nan 0.000 0.454 292 N N -0.078 118.411 118.700 -0.351 0.000 2.300 292 N HA -0.089 4.652 4.740 0.002 0.000 0.179 292 N C 1.951 177.425 175.510 -0.061 0.000 1.016 292 N CA 0.921 53.828 53.050 -0.237 0.000 0.876 292 N CB 0.170 38.247 38.487 -0.683 0.000 0.979 292 N HN 0.079 nan 8.380 nan 0.000 0.432 293 V N 2.068 121.850 119.914 -0.221 0.000 2.295 293 V HA -0.237 3.884 4.120 0.002 0.000 0.246 293 V C 2.534 178.379 176.094 -0.415 0.000 1.049 293 V CA 1.553 63.495 62.300 -0.596 0.000 1.024 293 V CB -0.490 30.799 31.823 -0.890 0.000 0.648 293 V HN 0.297 nan 8.190 nan 0.000 0.447 294 K N -0.074 120.146 120.400 -0.300 0.000 2.044 294 K HA -0.323 3.998 4.320 0.002 0.000 0.210 294 K C 2.309 178.804 176.600 -0.174 0.000 1.049 294 K CA 2.322 58.474 56.287 -0.226 0.000 0.927 294 K CB -0.236 32.154 32.500 -0.183 0.000 0.713 294 K HN 0.546 nan 8.250 nan 0.000 0.443 295 Q N 0.445 120.156 119.800 -0.148 0.000 2.050 295 Q HA -0.163 4.178 4.340 0.002 0.000 0.202 295 Q C 2.170 178.182 176.000 0.019 0.000 0.980 295 Q CA 1.627 57.354 55.803 -0.128 0.000 0.840 295 Q CB -0.082 28.457 28.738 -0.332 0.000 0.898 295 Q HN 0.408 nan 8.270 nan 0.000 0.424 296 L N 0.089 121.357 121.223 0.075 0.000 2.042 296 L HA -0.230 4.111 4.340 0.002 0.000 0.210 296 L C 2.560 179.424 176.870 -0.010 0.000 1.076 296 L CA 1.167 56.006 54.840 -0.001 0.000 0.749 296 L CB -0.651 41.111 42.059 -0.494 0.000 0.893 296 L HN 0.335 nan 8.230 nan 0.000 0.432 297 A N -0.256 122.453 122.820 -0.185 0.000 1.873 297 A HA -0.218 4.103 4.320 0.002 0.000 0.215 297 A C 1.933 179.272 177.584 -0.409 0.000 1.186 297 A CA 1.851 53.708 52.037 -0.300 0.000 0.616 297 A CB -0.527 18.284 19.000 -0.314 0.000 0.823 297 A HN 0.339 nan 8.150 nan 0.000 0.442 298 D N -0.184 120.108 120.400 -0.181 0.000 2.116 298 D HA -0.182 4.459 4.640 0.002 0.000 0.193 298 D C 2.048 178.355 176.300 0.011 0.000 0.998 298 D CA 1.691 55.658 54.000 -0.054 0.000 0.836 298 D CB -0.394 40.386 40.800 -0.035 0.000 0.951 298 D HN 0.502 nan 8.370 nan 0.000 0.449 299 M N 0.325 119.965 119.600 0.066 0.000 2.086 299 M HA -0.136 4.345 4.480 0.002 0.000 0.261 299 M C 2.402 178.781 176.300 0.132 0.000 1.067 299 M CA 1.009 56.384 55.300 0.124 0.000 1.116 299 M CB -0.184 32.569 32.600 0.255 0.000 1.348 299 M HN -0.132 nan 8.290 nan 0.000 0.407 300 S N -0.437 115.396 115.700 0.223 0.000 2.365 300 S HA -0.216 4.256 4.470 0.002 0.000 0.225 300 S C 1.610 176.303 174.600 0.155 0.000 1.039 300 S CA 1.577 59.900 58.200 0.206 0.000 1.033 300 S CB -0.762 62.589 63.200 0.251 0.000 0.887 300 S HN 0.577 nan 8.310 nan 0.000 0.447 301 H N 0.667 119.806 119.070 0.116 0.000 2.357 301 H HA 0.082 4.640 4.556 0.002 0.000 0.301 301 H C 2.467 177.821 175.328 0.042 0.000 1.082 301 H CA 0.761 56.850 56.048 0.069 0.000 1.342 301 H CB -0.166 29.626 29.762 0.051 0.000 1.389 301 H HN 0.445 nan 8.280 nan 0.000 0.511 302 A N 1.155 124.066 122.820 0.152 0.000 1.972 302 A HA -0.067 4.254 4.320 0.002 0.000 0.219 302 A C 2.323 179.935 177.584 0.047 0.000 1.169 302 A CA 1.298 53.381 52.037 0.076 0.000 0.635 302 A CB -0.612 18.415 19.000 0.044 0.000 0.810 302 A HN 0.457 nan 8.150 nan 0.000 0.446 303 A N -1.572 121.274 122.820 0.044 0.000 2.259 303 A HA 0.419 4.740 4.320 0.002 0.000 0.208 303 A C 1.647 179.247 177.584 0.027 0.000 1.201 303 A CA 1.065 53.108 52.037 0.010 0.000 0.824 303 A CB -1.082 17.901 19.000 -0.029 0.000 0.838 303 A HN 1.888 nan 8.150 nan 0.000 0.485 304 G N -0.499 108.338 108.800 0.061 0.000 2.160 304 G HA2 -0.240 3.721 3.960 0.002 0.000 0.244 304 G HA3 -0.240 3.721 3.960 0.002 0.000 0.244 304 G C -0.021 174.928 174.900 0.083 0.000 1.022 304 G CA 0.641 45.777 45.100 0.061 0.000 0.741 304 G HN 0.634 nan 8.290 nan 0.000 0.508 305 K N -0.265 120.213 120.400 0.131 0.000 2.395 305 K HA 0.557 4.878 4.320 0.002 0.000 0.247 305 K C -0.111 176.626 176.600 0.228 0.000 0.973 305 K CA -0.973 55.400 56.287 0.143 0.000 0.828 305 K CB 2.007 34.577 32.500 0.117 0.000 1.272 305 K HN 0.251 nan 8.250 nan 0.000 0.439 306 E N 0.571 120.880 120.200 0.183 0.000 2.349 306 E HA 0.344 4.695 4.350 0.002 0.000 0.265 306 E C -0.828 175.876 176.600 0.173 0.000 1.064 306 E CA -0.631 55.898 56.400 0.215 0.000 0.886 306 E CB 1.368 31.168 29.700 0.166 0.000 1.036 306 E HN 0.544 nan 8.360 nan 0.000 0.413 307 A N 3.323 126.264 122.820 0.201 0.000 2.273 307 A HA 0.487 4.809 4.320 0.002 0.000 0.315 307 A C -0.622 177.055 177.584 0.154 0.000 1.256 307 A CA -0.516 51.660 52.037 0.232 0.000 0.851 307 A CB 0.441 19.554 19.000 0.188 0.000 1.172 307 A HN 0.631 nan 8.150 nan 0.000 0.508 308 M N 4.483 124.165 119.600 0.136 0.000 2.259 308 M HA 0.602 5.083 4.480 0.002 0.000 0.304 308 M C -1.191 175.176 176.300 0.112 0.000 1.019 308 M CA -0.531 54.785 55.300 0.026 0.000 0.922 308 M CB 1.589 34.110 32.600 -0.132 0.000 1.600 308 M HN 0.818 nan 8.290 nan 0.000 0.433 309 M N 4.761 124.427 119.600 0.110 0.000 2.238 309 M HA 0.413 4.894 4.480 0.002 0.000 0.350 309 M C -1.763 174.583 176.300 0.077 0.000 1.138 309 M CA -0.615 54.732 55.300 0.079 0.000 1.040 309 M CB 1.254 34.000 32.600 0.244 0.000 1.639 309 M HN 0.795 nan 8.290 nan 0.000 0.451 310 F N 5.686 125.549 119.950 -0.146 0.000 2.438 310 F HA 0.317 4.845 4.527 0.002 0.000 0.356 310 F C -0.731 175.003 175.800 -0.111 0.000 1.099 310 F CA -0.789 57.139 58.000 -0.120 0.000 1.185 310 F CB 0.727 39.644 39.000 -0.138 0.000 1.115 310 F HN 0.564 nan 8.300 nan 0.000 0.526 311 L N 7.170 127.970 121.223 -0.706 0.000 2.391 311 L HA 0.552 4.893 4.340 0.002 0.000 0.249 311 L C 0.053 176.128 176.870 -1.324 0.000 1.308 311 L CA 0.513 54.876 54.840 -0.795 0.000 1.209 311 L CB -0.986 40.772 42.059 -0.502 0.000 1.401 311 L HN 0.789 nan 8.230 nan 0.000 0.416 312 G N 0.713 108.759 108.800 -1.256 0.000 2.321 312 G HA2 0.338 4.299 3.960 0.002 0.000 0.296 312 G HA3 0.338 4.299 3.960 0.002 0.000 0.296 312 G C -0.955 173.891 174.900 -0.091 0.000 1.287 312 G CA -0.137 44.445 45.100 -0.863 0.000 0.846 312 G HN 0.238 nan 8.290 nan 0.000 0.508 313 D N -0.797 119.804 120.400 0.335 0.000 3.574 313 D HA -0.192 4.449 4.640 0.002 0.000 0.153 313 D C 1.011 177.508 176.300 0.328 0.000 0.965 313 D CA 1.927 56.141 54.000 0.358 0.000 1.047 313 D CB -0.627 40.355 40.800 0.304 0.000 0.492 313 D HN 0.602 nan 8.370 nan 0.000 0.492 314 Q N 1.096 121.001 119.800 0.175 0.000 3.254 314 Q HA 0.163 4.504 4.340 0.002 0.000 0.315 314 Q C 0.731 176.836 176.000 0.175 0.000 1.405 314 Q CA -0.164 55.710 55.803 0.119 0.000 0.966 314 Q CB -0.647 28.097 28.738 0.011 0.000 1.706 314 Q HN 0.538 nan 8.270 nan 0.000 0.525 315 W N -0.326 120.954 121.300 -0.033 0.000 3.278 315 W HA 0.255 4.916 4.660 0.002 0.000 0.308 315 W C -0.809 175.719 176.519 0.014 0.000 1.253 315 W CA -0.533 56.787 57.345 -0.041 0.000 1.759 315 W CB 0.079 29.419 29.460 -0.201 0.000 1.093 315 W HN 0.065 nan 8.180 nan 0.000 0.648 316 I N 2.432 122.792 120.570 -0.350 0.000 2.648 316 I HA 0.214 4.385 4.170 0.002 0.000 0.284 316 I C 1.703 177.747 176.117 -0.122 0.000 1.153 316 I CA 1.565 62.603 61.300 -0.437 0.000 1.426 316 I CB -0.127 37.744 38.000 -0.215 0.000 1.381 316 I HN 0.427 nan 8.210 nan 0.000 0.571 317 G N 4.310 113.000 108.800 -0.183 0.000 2.213 317 G HA2 -0.335 3.626 3.960 0.002 0.000 0.236 317 G HA3 -0.335 3.626 3.960 0.002 0.000 0.236 317 G C 0.950 175.846 174.900 -0.007 0.000 0.991 317 G CA 0.657 45.727 45.100 -0.050 0.000 0.629 317 G HN 0.654 nan 8.290 nan 0.000 0.517 318 T N -1.299 113.260 114.554 0.007 0.000 2.737 318 T HA 0.180 4.531 4.350 0.002 0.000 0.265 318 T C 0.918 175.694 174.700 0.126 0.000 1.038 318 T CA 1.470 63.657 62.100 0.144 0.000 1.144 318 T CB -0.202 68.848 68.868 0.303 0.000 0.866 318 T HN 0.863 nan 8.240 nan 0.000 0.434 319 E N 1.158 121.343 120.200 -0.026 0.000 2.240 319 E HA -0.117 4.234 4.350 0.002 0.000 0.194 319 E C -1.967 174.516 176.600 -0.194 0.000 1.385 319 E CA 0.592 56.957 56.400 -0.059 0.000 0.686 319 E CB -1.578 28.118 29.700 -0.007 0.000 1.125 319 E HN 0.451 nan 8.360 nan 0.000 0.359 320 P HA -0.166 nan 4.420 nan 0.000 0.218 320 P C 0.977 177.765 177.300 -0.854 0.000 1.146 320 P CA 1.297 63.525 63.100 -1.454 0.000 0.813 320 P CB -0.015 31.067 31.700 -1.031 0.000 0.778 321 Y N -1.284 118.849 120.300 -0.278 0.000 2.457 321 Y HA 0.169 4.720 4.550 0.002 0.000 0.263 321 Y C 1.128 176.995 175.900 -0.055 0.000 1.164 321 Y CA 0.015 58.037 58.100 -0.131 0.000 1.274 321 Y CB -0.016 38.376 38.460 -0.114 0.000 1.097 321 Y HN -0.210 nan 8.280 nan 0.000 0.523 322 K N 1.218 121.662 120.400 0.073 0.000 2.185 322 K HA 0.072 4.393 4.320 0.002 0.000 0.271 322 K C -0.592 176.073 176.600 0.109 0.000 1.013 322 K CA -0.609 55.732 56.287 0.090 0.000 0.943 322 K CB 0.541 33.089 32.500 0.079 0.000 0.998 322 K HN 0.005 nan 8.250 nan 0.000 0.468 323 D N 0.381 120.841 120.400 0.099 0.000 2.506 323 D HA 0.010 4.651 4.640 0.002 0.000 0.234 323 D C 1.253 177.615 176.300 0.103 0.000 1.143 323 D CA 1.514 55.571 54.000 0.094 0.000 0.871 323 D CB 0.553 41.396 40.800 0.073 0.000 1.190 323 D HN 0.817 nan 8.370 nan 0.000 0.459 324 G N 1.380 110.240 108.800 0.100 0.000 2.213 324 G HA2 -0.362 3.599 3.960 0.002 0.000 0.236 324 G HA3 -0.362 3.599 3.960 0.002 0.000 0.236 324 G C 0.945 175.902 174.900 0.095 0.000 0.991 324 G CA 0.205 45.352 45.100 0.077 0.000 0.629 324 G HN 0.464 nan 8.290 nan 0.000 0.517 325 F N 3.107 123.051 119.950 -0.011 0.000 2.154 325 F HA -0.113 4.415 4.527 0.002 0.000 0.301 325 F C 2.494 178.278 175.800 -0.026 0.000 1.087 325 F CA 2.586 60.571 58.000 -0.026 0.000 1.274 325 F CB -0.064 38.916 39.000 -0.034 0.000 1.009 325 F HN 0.380 nan 8.300 nan 0.000 0.485 326 D N -0.148 120.254 120.400 0.003 0.000 2.182 326 D HA -0.252 4.389 4.640 0.002 0.000 0.201 326 D C 1.655 177.886 176.300 -0.114 0.000 0.986 326 D CA 1.641 55.603 54.000 -0.064 0.000 0.847 326 D CB -1.128 39.681 40.800 0.015 0.000 0.942 326 D HN 0.481 nan 8.370 nan 0.000 0.467 327 E N 0.085 120.230 120.200 -0.093 0.000 2.267 327 E HA -0.083 4.268 4.350 0.002 0.000 0.197 327 E C 2.202 178.720 176.600 -0.137 0.000 0.998 327 E CA 0.457 56.804 56.400 -0.089 0.000 0.830 327 E CB -0.173 29.491 29.700 -0.060 0.000 0.751 327 E HN 0.413 nan 8.360 nan 0.000 0.491 328 L N -0.613 120.467 121.223 -0.238 0.000 2.275 328 L HA -0.005 4.336 4.340 0.002 0.000 0.215 328 L C 1.695 178.448 176.870 -0.195 0.000 1.119 328 L CA 0.617 55.289 54.840 -0.279 0.000 0.790 328 L CB -0.653 41.128 42.059 -0.463 0.000 0.919 328 L HN 0.292 nan 8.230 nan 0.000 0.443 329 G N 0.964 109.676 108.800 -0.147 0.000 2.198 329 G HA2 -0.298 3.663 3.960 0.002 0.000 0.260 329 G HA3 -0.298 3.663 3.960 0.002 0.000 0.260 329 G C 0.230 175.153 174.900 0.038 0.000 1.025 329 G CA -0.090 45.004 45.100 -0.010 0.000 0.769 329 G HN 0.255 nan 8.290 nan 0.000 0.507 330 L N 0.265 121.416 121.223 -0.120 0.000 2.499 330 L HA 0.140 4.481 4.340 0.002 0.000 0.273 330 L C 1.515 178.377 176.870 -0.013 0.000 1.195 330 L CA -0.093 54.707 54.840 -0.066 0.000 0.882 330 L CB 0.398 42.371 42.059 -0.144 0.000 1.133 330 L HN 0.157 nan 8.230 nan 0.000 0.483 331 D N 2.264 122.683 120.400 0.032 0.000 2.183 331 D HA 0.062 4.703 4.640 0.002 0.000 0.203 331 D C 0.447 176.537 176.300 -0.350 0.000 0.969 331 D CA 1.040 55.012 54.000 -0.047 0.000 0.842 331 D CB 0.516 41.353 40.800 0.061 0.000 0.957 331 D HN 0.610 nan 8.370 nan 0.000 0.484 332 A N 0.034 122.646 122.820 -0.347 0.000 2.612 332 A HA 0.519 4.840 4.320 0.002 0.000 0.293 332 A C -1.319 176.176 177.584 -0.148 0.000 1.075 332 A CA -0.560 51.180 52.037 -0.494 0.000 0.680 332 A CB 1.856 20.257 19.000 -0.998 0.000 1.279 332 A HN -0.090 nan 8.150 nan 0.000 0.411 333 V N 0.817 120.689 119.914 -0.070 0.000 2.495 333 V HA 0.673 4.795 4.120 0.002 0.000 0.298 333 V C -0.531 175.585 176.094 0.036 0.000 1.031 333 V CA -0.614 61.700 62.300 0.023 0.000 0.871 333 V CB 1.568 33.422 31.823 0.052 0.000 0.988 333 V HN 1.012 nan 8.190 nan 0.000 0.432 334 V N 4.417 124.376 119.914 0.075 0.000 2.495 334 V HA 1.001 5.122 4.120 0.002 0.000 0.298 334 V C 0.217 176.389 176.094 0.129 0.000 1.031 334 V CA 0.444 62.824 62.300 0.132 0.000 0.871 334 V CB 1.511 33.449 31.823 0.191 0.000 0.988 334 V HN 1.022 nan 8.190 nan 0.000 0.432 335 G N 3.384 112.220 108.800 0.061 0.000 2.725 335 G HA2 0.560 4.521 3.960 0.002 0.000 0.288 335 G HA3 0.560 4.521 3.960 0.002 0.000 0.288 335 G C -1.063 173.842 174.900 0.009 0.000 1.399 335 G CA -0.641 44.437 45.100 -0.036 0.000 0.859 335 G HN 0.735 nan 8.290 nan 0.000 0.479 336 S N 0.270 115.946 115.700 -0.040 0.000 2.489 336 S HA 0.353 4.824 4.470 0.002 0.000 0.277 336 S C 0.243 174.780 174.600 -0.105 0.000 1.230 336 S CA -0.426 57.747 58.200 -0.044 0.000 1.053 336 S CB 0.721 63.897 63.200 -0.041 0.000 0.955 336 S HN 0.335 nan 8.310 nan 0.000 0.488 337 I N 3.890 124.321 120.570 -0.232 0.000 2.294 337 I HA 0.177 4.348 4.170 0.002 0.000 0.295 337 I C 1.346 177.361 176.117 -0.170 0.000 1.098 337 I CA 0.171 61.277 61.300 -0.323 0.000 1.277 337 I CB 0.156 37.694 38.000 -0.770 0.000 1.434 337 I HN 0.869 nan 8.210 nan 0.000 0.498 338 G N 5.315 114.044 108.800 -0.118 0.000 2.762 338 G HA2 0.163 4.124 3.960 0.002 0.000 0.209 338 G HA3 0.163 4.124 3.960 0.002 0.000 0.209 338 G C 0.042 174.892 174.900 -0.083 0.000 1.134 338 G CA 0.286 45.333 45.100 -0.088 0.000 0.781 338 G HN 0.660 nan 8.290 nan 0.000 0.528 339 D N -3.559 116.772 120.400 -0.115 0.000 2.918 339 D HA 0.179 4.820 4.640 0.002 0.000 0.342 339 D C 1.224 177.419 176.300 -0.175 0.000 1.403 339 D CA 0.110 54.042 54.000 -0.113 0.000 0.776 339 D CB 0.093 40.848 40.800 -0.076 0.000 1.365 339 D HN 0.014 nan 8.370 nan 0.000 0.468 340 G N -0.717 107.949 108.800 -0.224 0.000 2.402 340 G HA2 -0.170 3.791 3.960 0.002 0.000 0.216 340 G HA3 -0.170 3.791 3.960 0.002 0.000 0.216 340 G C 1.151 175.831 174.900 -0.368 0.000 1.162 340 G CA 1.843 46.769 45.100 -0.289 0.000 0.777 340 G HN 0.521 nan 8.290 nan 0.000 0.539 341 T N 1.261 115.618 114.554 -0.329 0.000 2.674 341 T HA -0.175 4.176 4.350 0.002 0.000 0.265 341 T C 2.827 177.364 174.700 -0.272 0.000 1.039 341 T CA 2.350 64.262 62.100 -0.314 0.000 1.150 341 T CB -0.748 67.960 68.868 -0.267 0.000 0.864 341 T HN 0.569 nan 8.240 nan 0.000 0.427 342 T N 0.293 114.722 114.554 -0.210 0.000 2.915 342 T HA -0.102 4.250 4.350 0.002 0.000 0.269 342 T C 2.045 176.634 174.700 -0.185 0.000 1.071 342 T CA 1.560 63.546 62.100 -0.190 0.000 1.132 342 T CB -0.973 67.733 68.868 -0.270 0.000 0.878 342 T HN 0.291 nan 8.240 nan 0.000 0.479 343 T N 1.910 116.323 114.554 -0.234 0.000 2.674 343 T HA -0.057 4.294 4.350 0.002 0.000 0.265 343 T C 2.230 176.786 174.700 -0.240 0.000 1.039 343 T CA 0.986 62.957 62.100 -0.214 0.000 1.150 343 T CB -0.192 68.556 68.868 -0.199 0.000 0.864 343 T HN 0.271 nan 8.240 nan 0.000 0.427 344 R N 0.871 121.101 120.500 -0.451 0.000 2.091 344 R HA 0.061 4.402 4.340 0.002 0.000 0.238 344 R C 2.418 178.500 176.300 -0.363 0.000 1.136 344 R CA 1.016 56.714 56.100 -0.670 0.000 0.959 344 R CB -1.024 28.220 30.300 -1.760 0.000 0.856 344 R HN 0.441 nan 8.270 nan 0.000 0.437 345 M N 0.307 119.785 119.600 -0.204 0.000 2.106 345 M HA -0.207 4.274 4.480 0.002 0.000 0.259 345 M C 2.007 178.420 176.300 0.188 0.000 1.068 345 M CA 1.771 57.164 55.300 0.157 0.000 1.100 345 M CB -0.101 32.587 32.600 0.147 0.000 1.351 345 M HN 0.043 nan 8.290 nan 0.000 0.404 346 I N -0.393 120.201 120.570 0.039 0.000 2.193 346 I HA -0.195 3.976 4.170 0.002 0.000 0.240 346 I C 2.596 178.741 176.117 0.046 0.000 1.084 346 I CA 1.124 62.436 61.300 0.019 0.000 1.365 346 I CB -0.659 37.331 38.000 -0.017 0.000 1.064 346 I HN 0.301 nan 8.210 nan 0.000 0.410 347 A N 0.413 123.255 122.820 0.036 0.000 1.933 347 A HA -0.217 4.104 4.320 0.002 0.000 0.218 347 A C 1.717 179.368 177.584 0.112 0.000 1.175 347 A CA 2.015 54.093 52.037 0.069 0.000 0.628 347 A CB -0.581 18.437 19.000 0.031 0.000 0.814 347 A HN 0.349 nan 8.150 nan 0.000 0.444 348 D N -0.418 120.093 120.400 0.186 0.000 2.363 348 D HA 0.128 4.769 4.640 0.002 0.000 0.226 348 D C 0.290 176.717 176.300 0.213 0.000 1.020 348 D CA 0.095 54.281 54.000 0.311 0.000 0.892 348 D CB -0.237 40.904 40.800 0.569 0.000 0.900 348 D HN 0.459 nan 8.370 nan 0.000 0.531 349 I N 2.557 123.106 120.570 -0.035 0.000 2.598 349 I HA 0.059 4.230 4.170 0.002 0.000 0.284 349 I C -1.860 174.184 176.117 -0.123 0.000 1.140 349 I CA -1.314 59.752 61.300 -0.390 0.000 1.420 349 I CB 0.527 38.312 38.000 -0.358 0.000 1.387 349 I HN -0.170 nan 8.210 nan 0.000 0.553 350 P HA 0.365 nan 4.420 nan 0.000 0.283 350 P C 0.361 177.750 177.300 0.148 0.000 1.271 350 P CA -0.301 62.828 63.100 0.048 0.000 0.841 350 P CB 1.275 33.016 31.700 0.069 0.000 1.122 351 G N -1.200 107.681 108.800 0.134 0.000 2.141 351 G HA2 -0.055 3.907 3.960 0.002 0.000 0.231 351 G HA3 -0.055 3.907 3.960 0.002 0.000 0.231 351 G C -0.123 174.826 174.900 0.080 0.000 0.984 351 G CA 0.092 45.269 45.100 0.129 0.000 0.660 351 G HN 0.749 nan 8.290 nan 0.000 0.525 352 V N -3.841 116.129 119.914 0.093 0.000 3.074 352 V HA 0.804 4.926 4.120 0.002 0.000 0.314 352 V C 1.169 177.295 176.094 0.054 0.000 1.117 352 V CA -0.300 62.026 62.300 0.044 0.000 1.014 352 V CB 1.631 33.482 31.823 0.047 0.000 1.057 352 V HN 0.044 nan 8.190 nan 0.000 0.438 353 K N 0.583 121.005 120.400 0.038 0.000 2.186 353 K HA 0.217 4.538 4.320 0.002 0.000 0.202 353 K C -0.134 176.632 176.600 0.277 0.000 1.052 353 K CA 1.560 57.938 56.287 0.151 0.000 0.965 353 K CB 0.036 32.666 32.500 0.216 0.000 0.746 353 K HN 0.831 nan 8.250 nan 0.000 0.457 354 Y N -1.613 118.750 120.300 0.105 0.000 2.670 354 Y HA 0.421 4.972 4.550 0.002 0.000 0.334 354 Y C -0.875 175.103 175.900 0.129 0.000 1.185 354 Y CA -1.514 56.660 58.100 0.123 0.000 1.053 354 Y CB 1.007 39.542 38.460 0.125 0.000 1.298 354 Y HN -0.137 nan 8.280 nan 0.000 0.459 355 T N -1.264 113.480 114.554 0.317 0.000 2.924 355 T HA 0.691 5.043 4.350 0.002 0.000 0.291 355 T C -1.268 173.615 174.700 0.305 0.000 1.045 355 T CA -0.758 61.469 62.100 0.212 0.000 1.015 355 T CB 2.463 71.431 68.868 0.167 0.000 1.103 355 T HN 0.908 nan 8.240 nan 0.000 0.496 356 E N -0.009 120.323 120.200 0.219 0.000 2.308 356 E HA 0.566 4.917 4.350 0.002 0.000 0.275 356 E C -0.624 176.050 176.600 0.123 0.000 0.890 356 E CA -0.955 55.574 56.400 0.215 0.000 0.754 356 E CB 1.619 31.474 29.700 0.258 0.000 1.207 356 E HN 1.016 nan 8.360 nan 0.000 0.426 357 G N 3.069 111.934 108.800 0.109 0.000 2.356 357 G HA2 0.344 4.305 3.960 0.002 0.000 0.322 357 G HA3 0.344 4.305 3.960 0.002 0.000 0.322 357 G C -0.759 174.100 174.900 -0.068 0.000 1.125 357 G CA -0.537 44.533 45.100 -0.050 0.000 0.885 357 G HN 0.303 nan 8.290 nan 0.000 0.467 358 R N 2.625 123.022 120.500 -0.172 0.000 2.275 358 R HA 0.313 4.654 4.340 0.002 0.000 0.326 358 R C -0.922 175.226 176.300 -0.254 0.000 0.973 358 R CA -0.490 55.520 56.100 -0.150 0.000 0.854 358 R CB 0.455 30.719 30.300 -0.059 0.000 1.156 358 R HN 0.423 nan 8.270 nan 0.000 0.487 359 F N 2.944 122.651 119.950 -0.406 0.000 2.375 359 F HA 0.351 4.879 4.527 0.002 0.000 0.313 359 F C 0.895 176.671 175.800 -0.041 0.000 1.176 359 F CA -0.441 57.394 58.000 -0.275 0.000 1.142 359 F CB 0.807 39.532 39.000 -0.458 0.000 1.275 359 F HN 0.151 nan 8.300 nan 0.000 0.544 360 L N 2.566 123.993 121.223 0.341 0.000 2.334 360 L HA 0.474 4.816 4.340 0.002 0.000 0.272 360 L C -2.307 174.928 176.870 0.607 0.000 1.020 360 L CA -2.055 53.023 54.840 0.397 0.000 0.812 360 L CB 1.714 43.927 42.059 0.256 0.000 1.264 360 L HN 0.293 nan 8.230 nan 0.000 0.439 361 P HA 0.054 nan 4.420 nan 0.000 0.282 361 P C -1.147 176.505 177.300 0.586 0.000 1.249 361 P CA -0.363 63.028 63.100 0.484 0.000 0.806 361 P CB 0.641 32.547 31.700 0.343 0.000 0.984 362 Y N 2.362 122.843 120.300 0.301 0.000 2.578 362 Y HA 0.091 4.642 4.550 0.002 0.000 0.339 362 Y C 0.012 176.142 175.900 0.382 0.000 1.231 362 Y CA 0.081 58.287 58.100 0.177 0.000 1.461 362 Y CB 0.009 38.528 38.460 0.099 0.000 1.323 362 Y HN 0.143 nan 8.280 nan 0.000 0.590 363 F N 8.166 127.850 119.950 -0.443 0.000 2.605 363 F HA 0.261 4.789 4.527 0.002 0.000 0.352 363 F C -0.549 175.084 175.800 -0.278 0.000 1.236 363 F CA -0.745 56.904 58.000 -0.584 0.000 1.267 363 F CB -1.413 37.206 39.000 -0.636 0.000 1.632 363 F HN 0.326 nan 8.300 nan 0.000 0.639 364 F N 2.541 122.564 119.950 0.122 0.000 2.613 364 F HA 0.481 5.009 4.527 0.002 0.000 0.314 364 F C -1.891 174.110 175.800 0.335 0.000 1.075 364 F CA -2.449 55.723 58.000 0.286 0.000 0.945 364 F CB 2.391 41.675 39.000 0.475 0.000 1.310 364 F HN -0.096 nan 8.300 nan 0.000 0.467 365 P HA -0.144 nan 4.420 nan 0.000 0.221 365 P C 0.829 178.272 177.300 0.240 0.000 1.145 365 P CA 1.479 64.590 63.100 0.018 0.000 0.795 365 P CB -0.034 31.538 31.700 -0.213 0.000 0.775 366 D N -1.104 119.509 120.400 0.355 0.000 2.263 366 D HA -0.139 4.502 4.640 0.002 0.000 0.208 366 D C 1.454 177.985 176.300 0.385 0.000 0.971 366 D CA 2.079 56.288 54.000 0.347 0.000 0.867 366 D CB -1.111 39.910 40.800 0.368 0.000 0.929 366 D HN 0.263 nan 8.370 nan 0.000 0.492 367 T N -3.568 111.196 114.554 0.349 0.000 2.964 367 T HA 0.190 4.541 4.350 0.002 0.000 0.249 367 T C 0.518 175.036 174.700 -0.303 0.000 1.000 367 T CA -0.557 61.596 62.100 0.088 0.000 0.992 367 T CB -0.721 68.136 68.868 -0.018 0.000 1.087 367 T HN -0.002 nan 8.240 nan 0.000 0.489 368 F N 3.884 123.730 119.950 -0.174 0.000 2.541 368 F HA 0.458 4.987 4.527 0.003 0.000 0.351 368 F C -0.379 175.428 175.800 0.012 0.000 1.209 368 F CA -1.451 56.255 58.000 -0.489 0.000 1.277 368 F CB -0.184 38.457 39.000 -0.598 0.000 1.632 368 F HN 0.342 nan 8.300 nan 0.000 0.619 369 Y N -1.390 119.006 120.300 0.160 0.000 2.536 369 Y HA 0.475 5.026 4.550 0.001 0.000 0.347 369 Y C -0.151 175.939 175.900 0.317 0.000 1.000 369 Y CA -2.149 56.098 58.100 0.244 0.000 1.051 369 Y CB 0.566 39.092 38.460 0.111 0.000 1.259 369 Y HN 0.222 nan 8.280 nan 0.000 0.468 370 E N 1.531 121.937 120.200 0.345 0.000 2.558 370 E HA 0.266 4.617 4.350 0.002 0.000 0.255 370 E C 1.018 177.701 176.600 0.137 0.000 0.968 370 E CA 1.633 58.121 56.400 0.148 0.000 0.939 370 E CB -0.131 29.624 29.700 0.092 0.000 0.921 370 E HN 1.159 nan 8.360 nan 0.000 0.477 371 G N 3.444 112.263 108.800 0.031 0.000 2.176 371 G HA2 -0.312 3.649 3.960 0.002 0.000 0.253 371 G HA3 -0.312 3.649 3.960 0.002 0.000 0.253 371 G C 0.197 175.058 174.900 -0.066 0.000 0.979 371 G CA 0.315 45.427 45.100 0.020 0.000 0.641 371 G HN 0.628 nan 8.290 nan 0.000 0.530 372 N N 0.546 119.078 118.700 -0.280 0.000 2.508 372 N HA 0.510 5.251 4.740 0.002 0.000 0.285 372 N C -1.121 174.286 175.510 -0.171 0.000 1.144 372 N CA -0.450 52.350 53.050 -0.418 0.000 0.978 372 N CB 1.268 39.102 38.487 -1.088 0.000 1.180 372 N HN 0.047 nan 8.380 nan 0.000 0.484 373 D N 2.032 122.340 120.400 -0.153 0.000 2.458 373 D HA 0.377 5.018 4.640 0.002 0.000 0.258 373 D C -2.015 174.204 176.300 -0.135 0.000 1.134 373 D CA -2.057 51.906 54.000 -0.062 0.000 0.915 373 D CB 1.031 41.830 40.800 -0.002 0.000 1.028 373 D HN 0.357 nan 8.370 nan 0.000 0.508 374 P HA -0.122 nan 4.420 nan 0.000 0.222 374 P C 1.473 178.797 177.300 0.040 0.000 1.147 374 P CA 0.727 63.537 63.100 -0.484 0.000 0.790 374 P CB 0.198 30.994 31.700 -1.507 0.000 0.780 375 S N -0.632 115.216 115.700 0.247 0.000 2.400 375 S HA -0.179 4.292 4.470 0.002 0.000 0.232 375 S C 1.922 176.641 174.600 0.197 0.000 1.025 375 S CA 1.030 59.430 58.200 0.333 0.000 0.993 375 S CB -1.523 61.806 63.200 0.216 0.000 0.808 375 S HN 0.069 nan 8.310 nan 0.000 0.478 376 I N 1.778 122.422 120.570 0.124 0.000 2.179 376 I HA -0.175 3.996 4.170 0.002 0.000 0.242 376 I C 2.989 179.188 176.117 0.136 0.000 1.088 376 I CA 2.008 63.370 61.300 0.104 0.000 1.357 376 I CB -0.425 37.613 38.000 0.064 0.000 1.051 376 I HN 0.466 nan 8.210 nan 0.000 0.409 377 E N 0.992 121.271 120.200 0.133 0.000 2.106 377 E HA -0.180 4.171 4.350 0.002 0.000 0.192 377 E C 2.259 179.018 176.600 0.265 0.000 0.984 377 E CA 1.209 57.708 56.400 0.164 0.000 0.806 377 E CB -0.164 29.610 29.700 0.123 0.000 0.750 377 E HN 0.524 nan 8.360 nan 0.000 0.458 378 G N 1.458 110.466 108.800 0.346 0.000 2.421 378 G HA2 -0.232 3.729 3.960 0.002 0.000 0.216 378 G HA3 -0.232 3.729 3.960 0.002 0.000 0.216 378 G C 1.483 176.606 174.900 0.372 0.000 1.171 378 G CA 0.426 45.793 45.100 0.445 0.000 0.775 378 G HN 0.204 nan 8.290 nan 0.000 0.543 379 L N 1.159 122.556 121.223 0.289 0.000 2.093 379 L HA 0.003 4.344 4.340 0.002 0.000 0.208 379 L C 2.333 179.383 176.870 0.299 0.000 1.085 379 L CA 2.075 57.099 54.840 0.306 0.000 0.755 379 L CB -0.980 41.206 42.059 0.212 0.000 0.904 379 L HN 0.350 nan 8.230 nan 0.000 0.435 380 D N -0.770 119.770 120.400 0.233 0.000 2.097 380 D HA -0.236 4.405 4.640 0.002 0.000 0.195 380 D C 2.025 178.445 176.300 0.200 0.000 0.989 380 D CA 1.451 55.560 54.000 0.183 0.000 0.827 380 D CB -0.060 40.828 40.800 0.147 0.000 0.966 380 D HN 0.270 nan 8.370 nan 0.000 0.456 381 N N -0.443 118.415 118.700 0.263 0.000 2.084 381 N HA -0.186 4.555 4.740 0.002 0.000 0.190 381 N C 1.976 177.731 175.510 0.408 0.000 1.030 381 N CA 1.088 54.312 53.050 0.290 0.000 0.849 381 N CB -0.483 38.215 38.487 0.351 0.000 1.012 381 N HN 0.511 nan 8.380 nan 0.000 0.423 382 W N 2.067 123.547 121.300 0.299 0.000 2.338 382 W HA -0.178 4.483 4.660 0.001 0.000 0.304 382 W C 1.961 178.610 176.519 0.216 0.000 1.212 382 W CA 0.870 58.386 57.345 0.286 0.000 1.264 382 W CB -0.160 29.409 29.460 0.182 0.000 1.142 382 W HN 0.117 nan 8.180 nan 0.000 0.512 383 R N 0.254 120.754 120.500 0.001 0.000 2.092 383 R HA -0.133 4.208 4.340 0.002 0.000 0.231 383 R C 2.335 178.533 176.300 -0.170 0.000 1.119 383 R CA 1.612 57.599 56.100 -0.189 0.000 0.970 383 R CB -0.341 29.950 30.300 -0.015 0.000 0.864 383 R HN 0.184 nan 8.270 nan 0.000 0.440 384 K N 0.066 120.432 120.400 -0.056 0.000 2.097 384 K HA -0.030 4.291 4.320 0.002 0.000 0.205 384 K C 2.084 178.608 176.600 -0.127 0.000 1.050 384 K CA 1.235 57.476 56.287 -0.078 0.000 0.938 384 K CB -0.011 32.465 32.500 -0.040 0.000 0.718 384 K HN 0.118 nan 8.250 nan 0.000 0.442 385 A N 1.659 124.430 122.820 -0.081 0.000 1.898 385 A HA -0.119 4.203 4.320 0.002 0.000 0.214 385 A C 2.129 179.604 177.584 -0.181 0.000 1.183 385 A CA 0.965 52.964 52.037 -0.063 0.000 0.622 385 A CB -0.382 18.713 19.000 0.157 0.000 0.824 385 A HN 0.191 nan 8.150 nan 0.000 0.444 386 R N 0.582 120.789 120.500 -0.488 0.000 2.096 386 R HA -0.243 4.098 4.340 0.002 0.000 0.240 386 R C 2.469 178.569 176.300 -0.333 0.000 1.139 386 R CA 2.123 57.795 56.100 -0.712 0.000 0.952 386 R CB -0.378 29.207 30.300 -1.193 0.000 0.854 386 R HN 0.681 nan 8.270 nan 0.000 0.436 387 R N -0.218 120.125 120.500 -0.262 0.000 2.105 387 R HA -0.073 4.268 4.340 0.002 0.000 0.239 387 R C 2.070 178.293 176.300 -0.128 0.000 1.135 387 R CA 1.518 57.522 56.100 -0.159 0.000 0.967 387 R CB -0.572 29.659 30.300 -0.116 0.000 0.861 387 R HN 0.240 nan 8.270 nan 0.000 0.442 388 A N 1.614 124.342 122.820 -0.153 0.000 1.929 388 A HA 0.039 4.360 4.320 0.002 0.000 0.216 388 A C 2.226 179.752 177.584 -0.097 0.000 1.176 388 A CA 0.888 52.830 52.037 -0.159 0.000 0.628 388 A CB -0.339 18.523 19.000 -0.228 0.000 0.816 388 A HN 0.286 nan 8.150 nan 0.000 0.444 389 I N 0.043 120.577 120.570 -0.060 0.000 2.335 389 I HA -0.256 3.915 4.170 0.002 0.000 0.251 389 I C 2.073 178.214 176.117 0.040 0.000 1.129 389 I CA 0.960 62.272 61.300 0.020 0.000 1.402 389 I CB -0.167 37.882 38.000 0.080 0.000 1.069 389 I HN 0.305 nan 8.210 nan 0.000 0.424 390 L N -0.093 121.148 121.223 0.030 0.000 2.275 390 L HA -0.142 4.199 4.340 0.002 0.000 0.215 390 L C 2.442 179.350 176.870 0.064 0.000 1.119 390 L CA 0.777 55.686 54.840 0.114 0.000 0.790 390 L CB -0.484 41.626 42.059 0.086 0.000 0.919 390 L HN 0.238 nan 8.230 nan 0.000 0.443 391 R N -0.985 119.519 120.500 0.007 0.000 2.189 391 R HA 0.169 4.510 4.340 0.002 0.000 0.203 391 R C 0.749 177.065 176.300 0.028 0.000 1.012 391 R CA 0.323 56.420 56.100 -0.004 0.000 1.015 391 R CB 0.049 30.341 30.300 -0.014 0.000 0.938 391 R HN 0.100 nan 8.270 nan 0.000 0.472 392 S N 1.396 117.113 115.700 0.029 0.000 2.511 392 S HA 0.401 4.873 4.470 0.002 0.000 0.233 392 S C -2.879 171.759 174.600 0.063 0.000 1.104 392 S CA -1.334 56.898 58.200 0.054 0.000 1.129 392 S CB 1.350 64.584 63.200 0.056 0.000 1.159 392 S HN -0.183 nan 8.310 nan 0.000 0.451 393 P HA 0.355 nan 4.420 nan 0.000 0.272 393 P C -0.269 177.128 177.300 0.162 0.000 1.223 393 P CA -0.464 62.694 63.100 0.096 0.000 0.784 393 P CB 0.352 32.072 31.700 0.033 0.000 0.923 394 I N -1.862 118.856 120.570 0.247 0.000 2.707 394 I HA 0.413 4.584 4.170 0.002 0.000 0.309 394 I C 0.584 176.983 176.117 0.469 0.000 1.001 394 I CA -0.483 61.017 61.300 0.332 0.000 1.129 394 I CB 1.927 40.137 38.000 0.351 0.000 1.308 394 I HN 0.069 nan 8.210 nan 0.000 0.466 395 S N 2.576 118.543 115.700 0.445 0.000 2.425 395 S HA 0.204 4.675 4.470 0.002 0.000 0.225 395 S C 0.581 175.455 174.600 0.458 0.000 1.024 395 S CA 0.391 58.848 58.200 0.428 0.000 0.951 395 S CB -0.118 63.298 63.200 0.360 0.000 0.796 395 S HN 0.642 nan 8.310 nan 0.000 0.498 396 R N -0.144 120.626 120.500 0.451 0.000 2.739 396 R HA 0.618 4.959 4.340 0.002 0.000 0.271 396 R C -0.923 175.302 176.300 -0.125 0.000 1.010 396 R CA -0.537 55.656 56.100 0.155 0.000 0.897 396 R CB 1.805 32.180 30.300 0.125 0.000 1.236 396 R HN 0.235 nan 8.270 nan 0.000 0.466 397 M N -1.015 118.229 119.600 -0.592 0.000 2.755 397 M HA 0.927 5.408 4.480 0.002 0.000 0.298 397 M C -0.438 175.463 176.300 -0.666 0.000 1.251 397 M CA -0.637 54.319 55.300 -0.573 0.000 0.817 397 M CB 2.715 34.602 32.600 -1.188 0.000 1.760 397 M HN 0.660 nan 8.290 nan 0.000 0.473 398 G N -0.239 108.133 108.800 -0.714 0.000 2.342 398 G HA2 0.543 4.504 3.960 0.002 0.000 0.297 398 G HA3 0.543 4.504 3.960 0.002 0.000 0.297 398 G C -2.627 171.826 174.900 -0.745 0.000 1.313 398 G CA -0.702 43.855 45.100 -0.905 0.000 0.830 398 G HN 0.763 nan 8.290 nan 0.000 0.506 399 Y N -1.158 118.888 120.300 -0.423 0.000 2.581 399 Y HA 0.727 5.279 4.550 0.002 0.000 0.345 399 Y C 0.736 176.365 175.900 -0.451 0.000 1.036 399 Y CA 0.013 57.863 58.100 -0.417 0.000 1.042 399 Y CB 2.658 40.754 38.460 -0.606 0.000 1.289 399 Y HN 0.931 nan 8.280 nan 0.000 0.471 400 G N -0.523 108.065 108.800 -0.353 0.000 2.630 400 G HA2 0.618 4.579 3.960 0.002 0.000 0.296 400 G HA3 0.618 4.579 3.960 0.002 0.000 0.296 400 G C -0.148 174.334 174.900 -0.696 0.000 1.285 400 G CA -0.302 44.633 45.100 -0.276 0.000 0.958 400 G HN 1.247 nan 8.290 nan 0.000 0.479 401 G N -0.941 107.474 108.800 -0.641 0.000 2.464 401 G HA2 -0.019 3.942 3.960 0.002 0.000 0.216 401 G HA3 -0.019 3.942 3.960 0.002 0.000 0.216 401 G C -1.154 173.439 174.900 -0.512 0.000 1.186 401 G CA -0.359 44.156 45.100 -0.975 0.000 1.010 401 G HN 0.958 nan 8.290 nan 0.000 0.585 402 Y N 0.749 121.001 120.300 -0.079 0.000 2.417 402 Y HA 0.573 5.124 4.550 0.002 0.000 0.336 402 Y C 1.393 177.277 175.900 -0.026 0.000 0.961 402 Y CA -0.430 57.638 58.100 -0.053 0.000 1.215 402 Y CB 1.358 39.752 38.460 -0.110 0.000 1.120 402 Y HN 0.564 nan 8.280 nan 0.000 0.499 403 L N 2.156 123.481 121.223 0.170 0.000 2.079 403 L HA -0.238 4.103 4.340 0.002 0.000 0.210 403 L C 2.281 179.122 176.870 -0.048 0.000 1.081 403 L CA 2.358 57.294 54.840 0.161 0.000 0.752 403 L CB -0.591 41.632 42.059 0.274 0.000 0.896 403 L HN 0.724 nan 8.230 nan 0.000 0.433 404 S N -1.688 113.766 115.700 -0.410 0.000 2.419 404 S HA -0.184 4.287 4.470 0.002 0.000 0.233 404 S C 2.040 176.537 174.600 -0.172 0.000 1.016 404 S CA 1.278 59.137 58.200 -0.567 0.000 0.974 404 S CB -0.773 61.801 63.200 -1.043 0.000 0.786 404 S HN 0.484 nan 8.310 nan 0.000 0.492 405 L N 0.948 122.065 121.223 -0.178 0.000 2.044 405 L HA 0.049 4.390 4.340 0.002 0.000 0.205 405 L C 3.148 179.873 176.870 -0.241 0.000 1.075 405 L CA 1.157 55.903 54.840 -0.157 0.000 0.747 405 L CB -0.783 41.146 42.059 -0.217 0.000 0.903 405 L HN 0.463 nan 8.230 nan 0.000 0.435 406 A N -0.136 122.299 122.820 -0.641 0.000 1.933 406 A HA -0.192 4.129 4.320 0.002 0.000 0.218 406 A C 2.395 179.990 177.584 0.018 0.000 1.175 406 A CA 1.615 53.230 52.037 -0.703 0.000 0.628 406 A CB -0.694 17.494 19.000 -1.353 0.000 0.814 406 A HN 0.443 nan 8.150 nan 0.000 0.444 407 A N -0.308 122.538 122.820 0.043 0.000 2.125 407 A HA -0.119 4.202 4.320 0.002 0.000 0.219 407 A C 1.895 179.579 177.584 0.167 0.000 1.156 407 A CA 1.520 53.636 52.037 0.131 0.000 0.671 407 A CB -0.369 18.752 19.000 0.201 0.000 0.794 407 A HN 0.549 nan 8.150 nan 0.000 0.459 408 K N -1.489 119.050 120.400 0.232 0.000 2.487 408 K HA 0.124 4.445 4.320 0.002 0.000 0.192 408 K C -0.896 175.724 176.600 0.033 0.000 1.027 408 K CA 0.266 56.640 56.287 0.144 0.000 1.054 408 K CB 0.016 32.594 32.500 0.131 0.000 0.824 408 K HN 0.527 nan 8.250 nan 0.000 0.510 409 F N 1.300 121.322 119.950 0.121 0.000 2.564 409 F HA 0.205 4.733 4.527 0.002 0.000 0.361 409 F C -1.705 174.202 175.800 0.179 0.000 1.161 409 F CA -2.236 55.857 58.000 0.155 0.000 1.198 409 F CB 1.454 40.590 39.000 0.225 0.000 1.424 409 F HN -0.130 nan 8.300 nan 0.000 0.517 410 P HA -0.244 nan 4.420 nan 0.000 0.216 410 P C 1.657 179.055 177.300 0.164 0.000 1.150 410 P CA 1.461 64.649 63.100 0.146 0.000 0.843 410 P CB 0.384 32.120 31.700 0.061 0.000 0.787 411 K N -1.036 119.469 120.400 0.175 0.000 2.026 411 K HA -0.165 4.156 4.320 0.002 0.000 0.208 411 K C 2.135 178.848 176.600 0.188 0.000 1.048 411 K CA 1.135 57.513 56.287 0.152 0.000 0.929 411 K CB -0.596 31.986 32.500 0.137 0.000 0.713 411 K HN -0.066 nan 8.250 nan 0.000 0.439 412 F N 1.205 121.250 119.950 0.158 0.000 2.126 412 F HA -0.220 4.308 4.527 0.001 0.000 0.299 412 F C 1.845 177.740 175.800 0.158 0.000 1.096 412 F CA 1.213 59.297 58.000 0.140 0.000 1.255 412 F CB -0.335 38.770 39.000 0.175 0.000 0.997 412 F HN -0.201 nan 8.300 nan 0.000 0.479 413 V N 0.514 120.582 119.914 0.256 0.000 2.332 413 V HA -0.322 3.799 4.120 0.002 0.000 0.248 413 V C 2.034 178.253 176.094 0.208 0.000 1.055 413 V CA 2.327 64.816 62.300 0.315 0.000 1.038 413 V CB -0.690 31.301 31.823 0.280 0.000 0.651 413 V HN 0.302 nan 8.190 nan 0.000 0.450 414 D N -0.533 119.930 120.400 0.106 0.000 2.219 414 D HA -0.107 4.534 4.640 0.002 0.000 0.205 414 D C 2.237 178.536 176.300 -0.003 0.000 0.970 414 D CA 1.538 55.578 54.000 0.067 0.000 0.851 414 D CB -0.265 40.564 40.800 0.049 0.000 0.943 414 D HN 0.410 nan 8.370 nan 0.000 0.488 415 T N 0.487 114.984 114.554 -0.095 0.000 2.737 415 T HA -0.071 4.280 4.350 0.002 0.000 0.265 415 T C 2.300 176.847 174.700 -0.254 0.000 1.038 415 T CA 0.612 62.620 62.100 -0.153 0.000 1.144 415 T CB -0.236 68.524 68.868 -0.180 0.000 0.866 415 T HN -0.027 nan 8.240 nan 0.000 0.434 416 V N 1.824 121.424 119.914 -0.523 0.000 2.295 416 V HA -0.214 3.908 4.120 0.002 0.000 0.246 416 V C 2.785 178.532 176.094 -0.580 0.000 1.049 416 V CA 2.077 63.928 62.300 -0.748 0.000 1.024 416 V CB -1.350 29.596 31.823 -1.462 0.000 0.648 416 V HN 0.537 nan 8.190 nan 0.000 0.447 417 T N -0.761 113.647 114.554 -0.244 0.000 2.624 417 T HA -0.356 3.995 4.350 0.002 0.000 0.268 417 T C 1.826 176.478 174.700 -0.079 0.000 1.041 417 T CA 2.520 64.612 62.100 -0.013 0.000 1.159 417 T CB -0.484 68.477 68.868 0.155 0.000 0.863 417 T HN 0.781 nan 8.240 nan 0.000 0.434 418 H N 0.692 119.678 119.070 -0.140 0.000 2.321 418 H HA 0.045 4.603 4.556 0.002 0.000 0.300 418 H C 2.099 177.298 175.328 -0.216 0.000 1.087 418 H CA 1.511 57.486 56.048 -0.123 0.000 1.319 418 H CB -0.440 29.277 29.762 -0.075 0.000 1.379 418 H HN 0.351 nan 8.280 nan 0.000 0.501 419 I N 0.311 120.682 120.570 -0.331 0.000 2.179 419 I HA -0.246 3.925 4.170 0.002 0.000 0.242 419 I C 2.747 178.465 176.117 -0.665 0.000 1.088 419 I CA 1.023 61.904 61.300 -0.699 0.000 1.357 419 I CB -0.483 37.111 38.000 -0.677 0.000 1.051 419 I HN 0.477 nan 8.210 nan 0.000 0.409 420 A N 1.034 123.597 122.820 -0.429 0.000 1.877 420 A HA -0.206 4.115 4.320 0.002 0.000 0.216 420 A C 2.064 179.543 177.584 -0.174 0.000 1.186 420 A CA 1.878 53.752 52.037 -0.272 0.000 0.620 420 A CB -0.683 18.097 19.000 -0.366 0.000 0.822 420 A HN 0.406 nan 8.150 nan 0.000 0.443 421 N N -0.241 118.342 118.700 -0.195 0.000 2.166 421 N HA -0.175 4.566 4.740 0.002 0.000 0.186 421 N C 1.704 177.146 175.510 -0.114 0.000 1.019 421 N CA 1.592 54.567 53.050 -0.125 0.000 0.856 421 N CB -0.403 38.014 38.487 -0.116 0.000 0.993 421 N HN 0.783 nan 8.380 nan 0.000 0.426 422 E N -0.207 119.860 120.200 -0.223 0.000 2.106 422 E HA -0.124 4.227 4.350 0.002 0.000 0.192 422 E C 1.761 178.395 176.600 0.058 0.000 0.984 422 E CA 0.418 56.755 56.400 -0.106 0.000 0.806 422 E CB -0.136 29.451 29.700 -0.189 0.000 0.750 422 E HN 0.261 nan 8.360 nan 0.000 0.458 423 F N 1.504 121.315 119.950 -0.231 0.000 2.095 423 F HA -0.176 4.352 4.527 0.002 0.000 0.298 423 F C 2.290 178.128 175.800 0.064 0.000 1.104 423 F CA 1.694 59.659 58.000 -0.058 0.000 1.232 423 F CB 0.028 38.877 39.000 -0.251 0.000 0.987 423 F HN -0.110 nan 8.300 nan 0.000 0.475 424 R N -0.212 120.410 120.500 0.204 0.000 2.092 424 R HA -0.169 4.172 4.340 0.002 0.000 0.231 424 R C 1.919 178.232 176.300 0.021 0.000 1.119 424 R CA 1.559 57.729 56.100 0.116 0.000 0.970 424 R CB -0.675 29.678 30.300 0.088 0.000 0.864 424 R HN 0.311 nan 8.270 nan 0.000 0.440 425 D N 0.635 121.037 120.400 0.003 0.000 2.117 425 D HA -0.124 4.517 4.640 0.002 0.000 0.197 425 D C 1.694 177.934 176.300 -0.101 0.000 0.987 425 D CA 1.110 55.077 54.000 -0.054 0.000 0.829 425 D CB 0.058 40.850 40.800 -0.013 0.000 0.961 425 D HN 0.114 nan 8.370 nan 0.000 0.460 426 I N -0.242 120.343 120.570 0.025 0.000 2.179 426 I HA -0.253 3.918 4.170 0.002 0.000 0.242 426 I C 2.503 178.543 176.117 -0.129 0.000 1.088 426 I CA 1.032 62.368 61.300 0.060 0.000 1.357 426 I CB -0.395 37.712 38.000 0.178 0.000 1.051 426 I HN 0.233 nan 8.210 nan 0.000 0.409 427 H N 1.136 120.075 119.070 -0.217 0.000 2.319 427 H HA -0.198 4.360 4.556 0.002 0.000 0.299 427 H C 1.679 176.895 175.328 -0.187 0.000 1.092 427 H CA 2.083 58.008 56.048 -0.206 0.000 1.302 427 H CB -0.023 29.623 29.762 -0.193 0.000 1.373 427 H HN 0.303 nan 8.280 nan 0.000 0.497 428 D N 0.032 120.418 120.400 -0.023 0.000 2.178 428 D HA -0.085 4.556 4.640 0.002 0.000 0.202 428 D C 2.396 178.559 176.300 -0.228 0.000 0.974 428 D CA 0.686 54.634 54.000 -0.087 0.000 0.841 428 D CB -0.168 40.581 40.800 -0.086 0.000 0.953 428 D HN 0.360 nan 8.370 nan 0.000 0.478 429 R N -0.284 119.981 120.500 -0.391 0.000 2.161 429 R HA 0.006 4.347 4.340 0.002 0.000 0.213 429 R C 1.900 177.875 176.300 -0.542 0.000 1.055 429 R CA 1.334 57.087 56.100 -0.580 0.000 0.996 429 R CB 0.121 29.756 30.300 -1.109 0.000 0.901 429 R HN 0.234 nan 8.270 nan 0.000 0.456 430 T N -4.273 109.975 114.554 -0.510 0.000 3.001 430 T HA 0.187 4.539 4.350 0.002 0.000 0.251 430 T C 1.312 175.838 174.700 -0.290 0.000 1.040 430 T CA 0.382 62.174 62.100 -0.514 0.000 0.985 430 T CB 0.980 69.442 68.868 -0.676 0.000 1.011 430 T HN 0.274 nan 8.240 nan 0.000 0.509 431 G N 1.468 110.114 108.800 -0.256 0.000 2.179 431 G HA2 0.081 4.042 3.960 0.002 0.000 0.257 431 G HA3 0.081 4.042 3.960 0.002 0.000 0.257 431 G C 1.034 175.779 174.900 -0.258 0.000 1.010 431 G CA 0.296 45.294 45.100 -0.169 0.000 0.736 431 G HN 1.783 nan 8.290 nan 0.000 0.513 432 G N -2.597 105.855 108.800 -0.581 0.000 2.273 432 G HA2 0.037 3.998 3.960 0.002 0.000 0.280 432 G HA3 0.037 3.998 3.960 0.002 0.000 0.280 432 G C 0.278 175.063 174.900 -0.192 0.000 1.047 432 G CA 0.605 45.310 45.100 -0.659 0.000 0.869 432 G HN 1.606 nan 8.290 nan 0.000 0.502 433 V N 0.205 120.062 119.914 -0.095 0.000 2.547 433 V HA 0.802 4.923 4.120 0.002 0.000 0.299 433 V C 0.973 177.156 176.094 0.148 0.000 1.040 433 V CA -0.398 61.923 62.300 0.036 0.000 0.913 433 V CB 1.769 33.622 31.823 0.049 0.000 0.992 433 V HN 1.142 nan 8.190 nan 0.000 0.449 434 A N 3.534 126.419 122.820 0.109 0.000 2.498 434 A HA 0.632 4.953 4.320 0.002 0.000 0.239 434 A C 0.752 178.349 177.584 0.021 0.000 1.068 434 A CA 0.408 52.501 52.037 0.093 0.000 0.766 434 A CB 0.066 19.093 19.000 0.046 0.000 1.003 434 A HN 1.453 nan 8.150 nan 0.000 0.497 435 A N 1.534 124.259 122.820 -0.158 0.000 2.492 435 A HA 0.317 4.638 4.320 0.002 0.000 0.236 435 A C 0.653 178.033 177.584 -0.339 0.000 1.078 435 A CA 0.203 51.870 52.037 -0.616 0.000 0.773 435 A CB -0.070 18.517 19.000 -0.690 0.000 1.023 435 A HN 0.926 nan 8.150 nan 0.000 0.504 436 E N 0.903 120.862 120.200 -0.402 0.000 2.415 436 E HA 0.277 4.628 4.350 0.002 0.000 0.260 436 E C 0.531 177.061 176.600 -0.115 0.000 1.016 436 E CA 0.125 56.390 56.400 -0.225 0.000 0.924 436 E CB 0.276 29.822 29.700 -0.257 0.000 0.961 436 E HN 0.715 nan 8.360 nan 0.000 0.459 437 G N 3.828 112.597 108.800 -0.052 0.000 2.372 437 G HA2 0.052 4.013 3.960 0.002 0.000 0.283 437 G HA3 0.052 4.013 3.960 0.002 0.000 0.283 437 G C 0.327 175.247 174.900 0.032 0.000 1.177 437 G CA -0.473 44.623 45.100 -0.005 0.000 0.842 437 G HN 0.653 nan 8.290 nan 0.000 0.503 438 E N 0.938 121.182 120.200 0.074 0.000 2.447 438 E HA 0.163 4.514 4.350 0.002 0.000 0.195 438 E C 0.614 177.218 176.600 0.006 0.000 1.028 438 E CA 0.376 56.855 56.400 0.132 0.000 0.876 438 E CB 0.517 30.413 29.700 0.328 0.000 0.885 438 E HN 0.375 nan 8.360 nan 0.000 0.500 439 L N 0.670 121.846 121.223 -0.078 0.000 2.469 439 L HA 0.361 4.702 4.340 0.002 0.000 0.256 439 L C -0.773 176.049 176.870 -0.080 0.000 1.006 439 L CA -0.959 53.795 54.840 -0.144 0.000 0.832 439 L CB 1.988 43.845 42.059 -0.336 0.000 1.421 439 L HN -0.251 nan 8.230 nan 0.000 0.410 440 N N 1.306 119.972 118.700 -0.056 0.000 2.437 440 N HA 0.483 5.224 4.740 0.002 0.000 0.259 440 N C -1.051 174.427 175.510 -0.053 0.000 0.983 440 N CA -0.211 52.814 53.050 -0.041 0.000 0.937 440 N CB 2.222 40.700 38.487 -0.013 0.000 1.122 440 N HN 0.147 nan 8.380 nan 0.000 0.499 441 V N 0.916 120.776 119.914 -0.090 0.000 2.555 441 V HA 0.798 4.919 4.120 0.002 0.000 0.302 441 V C -0.221 175.751 176.094 -0.204 0.000 1.038 441 V CA -0.930 61.296 62.300 -0.123 0.000 0.887 441 V CB 1.709 33.453 31.823 -0.132 0.000 0.991 441 V HN 0.714 nan 8.190 nan 0.000 0.434 442 A N 5.445 128.132 122.820 -0.221 0.000 2.335 442 A HA 0.813 5.135 4.320 0.002 0.000 0.304 442 A C -0.763 176.608 177.584 -0.355 0.000 1.118 442 A CA -0.494 51.361 52.037 -0.304 0.000 0.757 442 A CB 0.669 19.524 19.000 -0.242 0.000 1.188 442 A HN 0.769 nan 8.150 nan 0.000 0.460 443 I N 2.722 122.974 120.570 -0.530 0.000 2.352 443 I HA 0.194 4.365 4.170 0.002 0.000 0.290 443 I C -0.381 175.542 176.117 -0.323 0.000 1.036 443 I CA -0.333 60.698 61.300 -0.448 0.000 1.336 443 I CB 1.203 38.831 38.000 -0.620 0.000 1.407 443 I HN 0.579 nan 8.210 nan 0.000 0.497 444 L N 8.901 129.967 121.223 -0.262 0.000 2.287 444 L HA 0.529 4.870 4.340 0.002 0.000 0.287 444 L C -0.502 176.125 176.870 -0.404 0.000 1.022 444 L CA 0.190 54.821 54.840 -0.347 0.000 0.814 444 L CB 0.575 42.471 42.059 -0.271 0.000 1.217 444 L HN 0.806 nan 8.230 nan 0.000 0.420 445 N N 1.052 119.408 118.700 -0.573 0.000 3.344 445 N HA 0.328 5.069 4.740 0.002 0.000 0.296 445 N C -0.017 175.159 175.510 -0.556 0.000 1.571 445 N CA -0.252 52.524 53.050 -0.456 0.000 0.844 445 N CB 0.489 38.948 38.487 -0.046 0.000 1.718 445 N HN 0.158 nan 8.380 nan 0.000 0.589 446 S N -1.401 114.164 115.700 -0.225 0.000 2.423 446 S HA 0.007 4.478 4.470 0.002 0.000 0.231 446 S C 0.620 174.990 174.600 -0.383 0.000 1.014 446 S CA 0.904 58.946 58.200 -0.262 0.000 0.965 446 S CB -0.485 62.403 63.200 -0.520 0.000 0.785 446 S HN 0.580 nan 8.310 nan 0.000 0.495 447 W N 1.212 122.397 121.300 -0.191 0.000 2.640 447 W HA 0.353 5.014 4.660 0.002 0.000 0.271 447 W C 1.779 178.196 176.519 -0.171 0.000 1.218 447 W CA 0.386 57.625 57.345 -0.178 0.000 1.382 447 W CB -0.588 28.745 29.460 -0.213 0.000 1.067 447 W HN 0.444 nan 8.180 nan 0.000 0.590 448 G N 1.191 110.012 108.800 0.035 0.000 2.566 448 G HA2 -0.451 3.510 3.960 0.002 0.000 0.280 448 G HA3 -0.451 3.510 3.960 0.002 0.000 0.280 448 G C 0.994 175.870 174.900 -0.039 0.000 1.225 448 G CA 0.787 45.872 45.100 -0.024 0.000 0.966 448 G HN 0.169 nan 8.290 nan 0.000 0.560 449 K N 0.626 121.006 120.400 -0.033 0.000 2.147 449 K HA -0.095 4.226 4.320 0.002 0.000 0.205 449 K C 2.850 179.348 176.600 -0.170 0.000 1.049 449 K CA 2.154 58.389 56.287 -0.086 0.000 0.936 449 K CB -0.348 32.163 32.500 0.019 0.000 0.722 449 K HN 0.675 nan 8.250 nan 0.000 0.446 450 M N -0.645 118.920 119.600 -0.059 0.000 2.267 450 M HA -0.099 4.382 4.480 0.002 0.000 0.263 450 M C 0.683 176.856 176.300 -0.211 0.000 1.063 450 M CA 1.487 56.761 55.300 -0.042 0.000 1.090 450 M CB -0.032 32.583 32.600 0.025 0.000 1.392 450 M HN -0.145 nan 8.290 nan 0.000 0.422 451 R N 1.755 122.038 120.500 -0.362 0.000 2.935 451 R HA 0.377 4.718 4.340 0.002 0.000 0.354 451 R C -0.543 175.214 176.300 -0.905 0.000 1.206 451 R CA -0.084 55.662 56.100 -0.590 0.000 1.082 451 R CB 0.069 29.961 30.300 -0.680 0.000 1.431 451 R HN 0.308 nan 8.270 nan 0.000 0.582 452 S N 0.587 115.557 115.700 -1.216 0.000 2.544 452 S HA -0.054 4.418 4.470 0.002 0.000 0.290 452 S C 0.122 173.889 174.600 -1.388 0.000 1.276 452 S CA -0.064 56.919 58.200 -2.028 0.000 1.075 452 S CB 0.009 62.112 63.200 -1.829 0.000 0.849 452 S HN 0.591 nan 8.310 nan 0.000 0.494 453 W N 0.860 121.269 121.300 -1.485 0.000 3.520 453 W HA -0.276 4.385 4.660 0.002 0.000 0.305 453 W C 0.750 177.041 176.519 -0.381 0.000 1.150 453 W CA 0.091 57.102 57.345 -0.556 0.000 0.656 453 W CB -2.117 27.175 29.460 -0.280 0.000 2.198 453 W HN 0.619 nan 8.180 nan 0.000 1.417 454 M N -0.681 118.664 119.600 -0.425 0.000 2.306 454 M HA 0.328 4.810 4.480 0.002 0.000 0.292 454 M C 1.436 177.430 176.300 -0.511 0.000 1.018 454 M CA 0.368 55.428 55.300 -0.401 0.000 1.007 454 M CB 0.279 32.419 32.600 -0.767 0.000 1.510 454 M HN 0.107 nan 8.290 nan 0.000 0.537 455 A N 0.146 122.622 122.820 -0.574 0.000 2.425 455 A HA 0.358 4.679 4.320 0.002 0.000 0.242 455 A C 0.029 177.055 177.584 -0.930 0.000 1.077 455 A CA -0.009 51.375 52.037 -1.087 0.000 0.781 455 A CB -0.283 17.834 19.000 -1.470 0.000 1.020 455 A HN 0.544 nan 8.150 nan 0.000 0.494 456 F N -0.930 118.192 119.950 -1.380 0.000 3.057 456 F HA -0.172 4.356 4.527 0.002 0.000 0.287 456 F C 0.637 176.625 175.800 0.314 0.000 0.834 456 F CA 1.169 58.791 58.000 -0.630 0.000 1.147 456 F CB -2.588 36.280 39.000 -0.220 0.000 1.245 456 F HN 0.516 nan 8.300 nan 0.000 0.509 457 T N -0.663 114.197 114.554 0.511 0.000 2.841 457 T HA 0.702 5.053 4.350 0.002 0.000 0.283 457 T C 0.754 175.935 174.700 0.801 0.000 1.000 457 T CA -0.345 62.124 62.100 0.615 0.000 0.977 457 T CB 2.854 72.078 68.868 0.594 0.000 0.979 457 T HN -0.131 nan 8.240 nan 0.000 0.446 458 V N 1.039 121.249 119.914 0.493 0.000 2.939 458 V HA 0.526 4.647 4.120 0.002 0.000 0.228 458 V C 1.030 177.217 176.094 0.154 0.000 1.162 458 V CA 0.245 62.760 62.300 0.359 0.000 1.222 458 V CB -0.319 31.616 31.823 0.187 0.000 1.053 458 V HN 0.934 nan 8.190 nan 0.000 0.504 459 A N -0.675 122.159 122.820 0.024 0.000 2.312 459 A HA 0.475 4.796 4.320 0.002 0.000 0.328 459 A C -0.114 177.300 177.584 -0.283 0.000 1.158 459 A CA -0.371 51.598 52.037 -0.114 0.000 0.821 459 A CB 0.064 19.012 19.000 -0.087 0.000 1.170 459 A HN 0.528 nan 8.150 nan 0.000 0.490 460 H N 1.775 120.423 119.070 -0.702 0.000 3.157 460 H HA 0.128 4.685 4.556 0.002 0.000 0.299 460 H C 1.235 176.247 175.328 -0.526 0.000 0.961 460 H CA 1.457 56.938 56.048 -0.946 0.000 1.428 460 H CB 0.270 29.088 29.762 -1.573 0.000 1.459 460 H HN 1.348 nan 8.280 nan 0.000 0.566 461 A N 4.856 127.216 122.820 -0.766 0.000 2.748 461 A HA -0.207 4.114 4.320 0.002 0.000 0.297 461 A C 0.180 177.562 177.584 -0.337 0.000 1.508 461 A CA 1.068 52.813 52.037 -0.487 0.000 0.799 461 A CB -1.908 16.847 19.000 -0.408 0.000 1.011 461 A HN 0.686 nan 8.150 nan 0.000 0.500 462 L N 0.356 121.374 121.223 -0.342 0.000 2.529 462 L HA 0.324 4.665 4.340 0.002 0.000 0.246 462 L C -2.117 174.609 176.870 -0.240 0.000 1.394 462 L CA -1.658 53.041 54.840 -0.235 0.000 0.906 462 L CB 1.351 43.316 42.059 -0.157 0.000 1.170 462 L HN 0.233 nan 8.230 nan 0.000 0.501 463 P HA 0.252 nan 4.420 nan 0.000 0.275 463 P C -1.082 176.170 177.300 -0.080 0.000 1.228 463 P CA -0.179 62.778 63.100 -0.238 0.000 0.786 463 P CB 1.103 32.625 31.700 -0.296 0.000 0.927 464 N N -0.033 118.672 118.700 0.009 0.000 3.229 464 N HA 0.219 4.960 4.740 0.002 0.000 0.315 464 N C 0.827 176.383 175.510 0.075 0.000 1.520 464 N CA -1.001 52.042 53.050 -0.012 0.000 0.769 464 N CB 0.529 39.002 38.487 -0.023 0.000 1.766 464 N HN 0.232 nan 8.380 nan 0.000 0.618 465 K N -0.761 119.650 120.400 0.017 0.000 2.089 465 K HA -0.261 4.060 4.320 0.002 0.000 0.210 465 K C 1.033 177.790 176.600 0.263 0.000 1.048 465 K CA 2.063 58.418 56.287 0.113 0.000 0.926 465 K CB -0.098 32.427 32.500 0.043 0.000 0.714 465 K HN 0.531 nan 8.250 nan 0.000 0.448 466 Q N -0.835 119.053 119.800 0.148 0.000 2.389 466 Q HA -0.035 4.306 4.340 0.002 0.000 0.204 466 Q C 1.702 177.824 176.000 0.204 0.000 0.944 466 Q CA 1.575 57.450 55.803 0.121 0.000 0.908 466 Q CB 0.510 29.243 28.738 -0.008 0.000 1.002 466 Q HN 0.605 nan 8.270 nan 0.000 0.493 467 T N -3.622 111.091 114.554 0.265 0.000 2.959 467 T HA -0.001 4.350 4.350 0.002 0.000 0.254 467 T C 1.622 176.512 174.700 0.317 0.000 1.003 467 T CA 0.025 62.383 62.100 0.429 0.000 0.950 467 T CB -0.416 68.741 68.868 0.482 0.000 1.090 467 T HN 0.394 nan 8.240 nan 0.000 0.503 468 Y N 2.095 122.446 120.300 0.085 0.000 2.352 468 Y HA 0.188 4.739 4.550 0.002 0.000 0.292 468 Y C 2.121 178.007 175.900 -0.024 0.000 1.136 468 Y CA 0.757 58.895 58.100 0.063 0.000 1.227 468 Y CB -0.600 37.877 38.460 0.028 0.000 0.991 468 Y HN 0.164 nan 8.280 nan 0.000 0.545 469 S N -0.143 115.025 115.700 -0.887 0.000 2.474 469 S HA -0.081 4.390 4.470 0.002 0.000 0.235 469 S C 0.902 175.002 174.600 -0.832 0.000 0.997 469 S CA 1.217 58.846 58.200 -0.953 0.000 0.949 469 S CB -0.413 62.164 63.200 -1.039 0.000 0.766 469 S HN 0.608 nan 8.310 nan 0.000 0.517 470 Y N -1.418 118.664 120.300 -0.362 0.000 2.539 470 Y HA 0.268 4.819 4.550 0.002 0.000 0.284 470 Y C 1.997 177.535 175.900 -0.602 0.000 1.134 470 Y CA -0.790 56.848 58.100 -0.771 0.000 1.251 470 Y CB -1.040 36.580 38.460 -1.400 0.000 1.260 470 Y HN 0.191 nan 8.280 nan 0.000 0.528 471 Y N 1.167 121.377 120.300 -0.149 0.000 2.241 471 Y HA -0.195 4.356 4.550 0.002 0.000 0.286 471 Y C 2.448 178.392 175.900 0.074 0.000 1.166 471 Y CA 1.577 59.736 58.100 0.097 0.000 1.203 471 Y CB -0.635 37.925 38.460 0.167 0.000 0.977 471 Y HN 0.136 nan 8.280 nan 0.000 0.529 472 G N 0.132 109.008 108.800 0.126 0.000 2.462 472 G HA2 -0.271 3.690 3.960 0.002 0.000 0.220 472 G HA3 -0.271 3.690 3.960 0.002 0.000 0.220 472 G C 1.653 176.588 174.900 0.059 0.000 1.121 472 G CA 1.315 46.486 45.100 0.118 0.000 0.758 472 G HN 0.527 nan 8.290 nan 0.000 0.559 473 I N -0.189 120.376 120.570 -0.007 0.000 2.179 473 I HA -0.119 4.053 4.170 0.002 0.000 0.242 473 I C 2.501 178.647 176.117 0.048 0.000 1.088 473 I CA 0.429 61.739 61.300 0.017 0.000 1.357 473 I CB -0.205 37.801 38.000 0.011 0.000 1.051 473 I HN 0.067 nan 8.210 nan 0.000 0.409 474 L N 0.474 121.717 121.223 0.035 0.000 2.046 474 L HA -0.202 4.139 4.340 0.002 0.000 0.208 474 L C 2.506 179.396 176.870 0.033 0.000 1.077 474 L CA 1.752 56.652 54.840 0.100 0.000 0.747 474 L CB -1.014 41.054 42.059 0.015 0.000 0.896 474 L HN 0.212 nan 8.230 nan 0.000 0.432 475 E N -0.779 119.303 120.200 -0.196 0.000 2.106 475 E HA -0.139 4.213 4.350 0.002 0.000 0.192 475 E C 2.285 178.733 176.600 -0.253 0.000 0.984 475 E CA 1.391 57.588 56.400 -0.339 0.000 0.806 475 E CB -0.041 29.372 29.700 -0.479 0.000 0.750 475 E HN 0.338 nan 8.360 nan 0.000 0.458 476 S N 0.086 115.819 115.700 0.055 0.000 2.353 476 S HA -0.141 4.330 4.470 0.002 0.000 0.222 476 S C 1.886 176.557 174.600 0.119 0.000 1.035 476 S CA 1.323 59.651 58.200 0.214 0.000 1.025 476 S CB -0.357 62.969 63.200 0.209 0.000 0.902 476 S HN 0.279 nan 8.310 nan 0.000 0.440 477 L N 1.822 123.119 121.223 0.123 0.000 2.141 477 L HA -0.088 4.254 4.340 0.002 0.000 0.209 477 L C 2.713 179.696 176.870 0.188 0.000 1.094 477 L CA 1.214 56.157 54.840 0.171 0.000 0.763 477 L CB -0.791 41.387 42.059 0.198 0.000 0.908 477 L HN 0.439 nan 8.230 nan 0.000 0.437 478 S N -0.283 115.457 115.700 0.067 0.000 2.419 478 S HA -0.135 4.336 4.470 0.002 0.000 0.235 478 S C 1.662 176.146 174.600 -0.195 0.000 1.019 478 S CA 1.253 59.291 58.200 -0.271 0.000 0.982 478 S CB -0.525 62.401 63.200 -0.456 0.000 0.789 478 S HN 0.445 nan 8.310 nan 0.000 0.490 479 G N 0.031 108.774 108.800 -0.095 0.000 3.519 479 G HA2 0.435 4.397 3.960 0.002 0.000 0.269 479 G HA3 0.435 4.397 3.960 0.002 0.000 0.269 479 G C -0.024 174.872 174.900 -0.007 0.000 1.028 479 G CA -0.521 44.538 45.100 -0.069 0.000 0.809 479 G HN 0.477 nan 8.290 nan 0.000 0.521 480 M N 1.573 121.194 119.600 0.036 0.000 2.241 480 M HA 0.294 4.775 4.480 0.002 0.000 0.335 480 M C 1.352 177.686 176.300 0.056 0.000 1.122 480 M CA -0.689 54.651 55.300 0.067 0.000 1.164 480 M CB 0.788 33.447 32.600 0.098 0.000 1.459 480 M HN 0.199 nan 8.290 nan 0.000 0.461 481 R N 3.181 123.724 120.500 0.072 0.000 4.054 481 R HA 0.233 4.574 4.340 0.002 0.000 0.227 481 R C -0.825 175.524 176.300 0.081 0.000 1.902 481 R CA -0.308 55.828 56.100 0.061 0.000 1.590 481 R CB -1.383 28.960 30.300 0.072 0.000 1.245 481 R HN 0.469 nan 8.270 nan 0.000 0.647 482 V N -2.787 117.161 119.914 0.056 0.000 3.141 482 V HA 0.502 4.623 4.120 0.002 0.000 0.312 482 V C -0.934 175.172 176.094 0.020 0.000 1.157 482 V CA -1.470 60.844 62.300 0.022 0.000 1.041 482 V CB 2.207 34.023 31.823 -0.012 0.000 1.071 482 V HN 0.175 nan 8.190 nan 0.000 0.441 483 N N 0.876 119.576 118.700 0.000 0.000 2.426 483 N HA 0.610 5.351 4.740 0.002 0.000 0.275 483 N C -0.932 174.566 175.510 -0.020 0.000 1.019 483 N CA -0.174 52.883 53.050 0.012 0.000 0.941 483 N CB 1.883 40.373 38.487 0.004 0.000 1.123 483 N HN 0.637 nan 8.380 nan 0.000 0.486 484 V N 2.981 122.898 119.914 0.005 0.000 2.495 484 V HA 0.518 4.639 4.120 0.002 0.000 0.298 484 V C 0.226 176.197 176.094 -0.205 0.000 1.031 484 V CA -0.789 61.425 62.300 -0.142 0.000 0.871 484 V CB 1.589 33.347 31.823 -0.109 0.000 0.988 484 V HN 0.697 nan 8.190 nan 0.000 0.432 485 R N 3.293 123.570 120.500 -0.372 0.000 2.837 485 R HA 0.768 5.109 4.340 0.002 0.000 0.271 485 R C -1.849 174.107 176.300 -0.574 0.000 0.993 485 R CA -0.737 55.190 56.100 -0.288 0.000 0.931 485 R CB 1.875 32.096 30.300 -0.132 0.000 1.206 485 R HN 0.386 nan 8.270 nan 0.000 0.474 486 F N 2.163 121.932 119.950 -0.301 0.000 2.467 486 F HA 0.535 5.063 4.527 0.002 0.000 0.336 486 F C 0.215 175.868 175.800 -0.245 0.000 1.123 486 F CA -0.970 56.831 58.000 -0.332 0.000 0.964 486 F CB 1.901 40.647 39.000 -0.425 0.000 1.136 486 F HN 0.463 nan 8.300 nan 0.000 0.447 487 I N -0.306 120.192 120.570 -0.119 0.000 2.892 487 I HA 0.824 4.995 4.170 0.002 0.000 0.306 487 I C -0.580 175.394 176.117 -0.237 0.000 1.078 487 I CA -0.854 60.354 61.300 -0.154 0.000 1.032 487 I CB 2.331 40.220 38.000 -0.185 0.000 1.229 487 I HN 0.503 nan 8.210 nan 0.000 0.435 488 S N 2.507 118.071 115.700 -0.226 0.000 2.621 488 S HA 0.525 4.996 4.470 0.002 0.000 0.302 488 S C 0.485 174.871 174.600 -0.356 0.000 1.093 488 S CA -0.590 57.422 58.200 -0.313 0.000 1.017 488 S CB 1.279 64.382 63.200 -0.162 0.000 1.077 488 S HN 0.592 nan 8.310 nan 0.000 0.517 489 F N 1.281 121.108 119.950 -0.205 0.000 2.154 489 F HA -0.086 4.443 4.527 0.002 0.000 0.301 489 F C 2.129 177.788 175.800 -0.234 0.000 1.087 489 F CA 1.516 59.355 58.000 -0.267 0.000 1.274 489 F CB -0.812 37.973 39.000 -0.358 0.000 1.009 489 F HN 0.536 nan 8.300 nan 0.000 0.485 490 D N 0.308 120.681 120.400 -0.045 0.000 2.104 490 D HA -0.175 4.466 4.640 0.002 0.000 0.194 490 D C 1.864 178.090 176.300 -0.122 0.000 0.994 490 D CA 1.625 55.570 54.000 -0.092 0.000 0.830 490 D CB -0.586 40.164 40.800 -0.083 0.000 0.959 490 D HN 0.250 nan 8.370 nan 0.000 0.452 491 D N 0.292 120.632 120.400 -0.100 0.000 2.104 491 D HA -0.111 4.531 4.640 0.002 0.000 0.194 491 D C 2.327 178.566 176.300 -0.101 0.000 0.994 491 D CA 0.527 54.487 54.000 -0.066 0.000 0.830 491 D CB -0.361 40.417 40.800 -0.036 0.000 0.959 491 D HN 0.093 nan 8.370 nan 0.000 0.452 492 V N 1.011 120.855 119.914 -0.117 0.000 2.307 492 V HA -0.190 3.931 4.120 0.002 0.000 0.245 492 V C 2.653 178.677 176.094 -0.117 0.000 1.045 492 V CA 1.067 63.297 62.300 -0.117 0.000 1.024 492 V CB -0.420 31.326 31.823 -0.128 0.000 0.651 492 V HN 0.167 nan 8.190 nan 0.000 0.449 493 L N -0.000 121.145 121.223 -0.129 0.000 2.083 493 L HA -0.127 4.214 4.340 0.002 0.000 0.209 493 L C 2.636 179.400 176.870 -0.177 0.000 1.083 493 L CA 1.546 56.303 54.840 -0.139 0.000 0.752 493 L CB -0.698 41.276 42.059 -0.142 0.000 0.899 493 L HN 0.355 nan 8.230 nan 0.000 0.433 494 A N -1.218 121.436 122.820 -0.277 0.000 1.930 494 A HA -0.125 4.196 4.320 0.002 0.000 0.215 494 A C 1.747 179.020 177.584 -0.517 0.000 1.176 494 A CA 1.157 52.906 52.037 -0.479 0.000 0.632 494 A CB -0.300 18.247 19.000 -0.754 0.000 0.819 494 A HN 0.480 nan 8.150 nan 0.000 0.445 495 H N -1.821 117.220 119.070 -0.049 0.000 3.233 495 H HA 0.357 4.914 4.556 0.002 0.000 0.263 495 H C 1.246 176.543 175.328 -0.051 0.000 1.168 495 H CA 0.249 56.270 56.048 -0.044 0.000 1.159 495 H CB -0.048 29.689 29.762 -0.043 0.000 1.593 495 H HN 0.648 nan 8.280 nan 0.000 0.580 496 G N 1.665 110.468 108.800 0.005 0.000 2.693 496 G HA2 -0.264 3.697 3.960 0.002 0.000 0.226 496 G HA3 -0.264 3.697 3.960 0.002 0.000 0.226 496 G C -0.377 174.474 174.900 -0.082 0.000 1.354 496 G CA -0.300 44.782 45.100 -0.030 0.000 0.873 496 G HN 0.204 nan 8.290 nan 0.000 0.562 497 I N 1.370 121.848 120.570 -0.154 0.000 2.321 497 I HA 0.221 4.392 4.170 0.002 0.000 0.291 497 I C -0.072 175.931 176.117 -0.189 0.000 0.998 497 I CA -0.706 60.410 61.300 -0.307 0.000 1.227 497 I CB 1.195 38.749 38.000 -0.743 0.000 1.368 497 I HN 0.347 nan 8.210 nan 0.000 0.466 498 D N 3.731 124.047 120.400 -0.139 0.000 2.548 498 D HA -0.060 4.581 4.640 0.002 0.000 0.231 498 D C 1.312 177.609 176.300 -0.005 0.000 1.142 498 D CA 0.328 54.292 54.000 -0.059 0.000 0.866 498 D CB 0.893 41.660 40.800 -0.055 0.000 1.190 498 D HN 0.625 nan 8.370 nan 0.000 0.469 499 S N 0.831 116.556 115.700 0.043 0.000 2.489 499 S HA -0.151 4.320 4.470 0.002 0.000 0.228 499 S C 1.156 175.823 174.600 0.112 0.000 0.995 499 S CA 0.422 58.685 58.200 0.106 0.000 0.934 499 S CB 0.019 63.270 63.200 0.086 0.000 0.771 499 S HN 0.554 nan 8.310 nan 0.000 0.522 500 D N 1.553 121.993 120.400 0.067 0.000 2.348 500 D HA 0.016 4.657 4.640 0.002 0.000 0.216 500 D C 0.537 176.882 176.300 0.076 0.000 0.970 500 D CA -0.020 54.016 54.000 0.060 0.000 0.889 500 D CB -0.620 40.198 40.800 0.031 0.000 0.912 500 D HN 0.450 nan 8.370 nan 0.000 0.524 501 I N 1.732 122.359 120.570 0.095 0.000 2.533 501 I HA -0.041 4.130 4.170 0.002 0.000 0.284 501 I C 1.012 177.289 176.117 0.268 0.000 1.109 501 I CA -0.100 61.267 61.300 0.110 0.000 1.412 501 I CB 0.889 38.891 38.000 0.003 0.000 1.396 501 I HN -0.195 nan 8.210 nan 0.000 0.543 502 D N 4.913 125.417 120.400 0.174 0.000 2.259 502 D HA 0.089 4.731 4.640 0.002 0.000 0.216 502 D C 0.103 176.542 176.300 0.230 0.000 0.961 502 D CA 1.212 55.306 54.000 0.157 0.000 0.878 502 D CB 0.663 41.471 40.800 0.014 0.000 1.009 502 D HN 0.196 nan 8.370 nan 0.000 0.490 503 V N 1.580 121.620 119.914 0.210 0.000 2.686 503 V HA 0.358 4.479 4.120 0.002 0.000 0.306 503 V C -0.361 175.828 176.094 0.158 0.000 1.065 503 V CA -0.716 61.707 62.300 0.204 0.000 0.894 503 V CB 2.831 34.674 31.823 0.033 0.000 1.004 503 V HN -0.085 nan 8.190 nan 0.000 0.424 504 I N 4.953 125.656 120.570 0.221 0.000 2.377 504 I HA 0.508 4.679 4.170 0.002 0.000 0.293 504 I C -0.624 175.374 176.117 -0.199 0.000 0.987 504 I CA -0.425 60.867 61.300 -0.014 0.000 1.185 504 I CB 1.740 39.753 38.000 0.022 0.000 1.341 504 I HN 0.441 nan 8.210 nan 0.000 0.455 505 I N 6.508 126.927 120.570 -0.251 0.000 2.378 505 I HA 0.317 4.488 4.170 0.002 0.000 0.291 505 I C -0.269 175.680 176.117 -0.281 0.000 0.992 505 I CA -0.418 60.696 61.300 -0.310 0.000 1.154 505 I CB 1.398 39.270 38.000 -0.213 0.000 1.315 505 I HN 0.577 nan 8.210 nan 0.000 0.448 506 N N 4.806 123.291 118.700 -0.359 0.000 2.346 506 N HA 0.664 5.405 4.740 0.002 0.000 0.289 506 N C -1.147 174.322 175.510 -0.068 0.000 1.027 506 N CA -0.250 52.740 53.050 -0.100 0.000 0.864 506 N CB 2.480 41.036 38.487 0.115 0.000 1.370 506 N HN 0.817 nan 8.380 nan 0.000 0.481 507 G N 0.710 109.547 108.800 0.062 0.000 2.718 507 G HA2 0.753 4.714 3.960 0.002 0.000 0.295 507 G HA3 0.753 4.714 3.960 0.002 0.000 0.295 507 G C -0.721 174.184 174.900 0.008 0.000 1.421 507 G CA -0.179 44.942 45.100 0.035 0.000 0.902 507 G HN 0.810 nan 8.290 nan 0.000 0.501 508 G N 0.232 108.795 108.800 -0.394 0.000 2.369 508 G HA2 0.444 4.405 3.960 0.002 0.000 0.295 508 G HA3 0.444 4.405 3.960 0.002 0.000 0.295 508 G C -3.558 171.136 174.900 -0.343 0.000 1.298 508 G CA -0.550 44.122 45.100 -0.714 0.000 0.940 508 G HN 0.672 nan 8.290 nan 0.000 0.536 509 P HA 0.469 nan 4.420 nan 0.000 0.279 509 P C 0.489 177.907 177.300 0.197 0.000 1.252 509 P CA -0.562 62.665 63.100 0.212 0.000 0.811 509 P CB 1.366 33.271 31.700 0.341 0.000 1.035 510 V N 2.027 122.078 119.914 0.228 0.000 2.928 510 V HA -0.061 4.060 4.120 0.002 0.000 0.307 510 V C 0.296 176.494 176.094 0.174 0.000 1.105 510 V CA 1.068 63.474 62.300 0.176 0.000 1.223 510 V CB -0.880 31.118 31.823 0.293 0.000 0.930 510 V HN 0.699 nan 8.190 nan 0.000 0.499 511 D N 2.219 122.686 120.400 0.111 0.000 2.870 511 D HA -0.128 4.513 4.640 0.002 0.000 0.228 511 D C 0.227 176.591 176.300 0.107 0.000 1.147 511 D CA 1.456 55.511 54.000 0.092 0.000 0.757 511 D CB -1.382 39.483 40.800 0.108 0.000 1.091 511 D HN 1.110 nan 8.370 nan 0.000 0.429 512 T N -5.115 109.508 114.554 0.115 0.000 2.930 512 T HA 0.761 5.112 4.350 0.002 0.000 0.290 512 T C 1.478 176.121 174.700 -0.096 0.000 1.052 512 T CA -0.291 61.866 62.100 0.096 0.000 1.017 512 T CB 2.093 71.138 68.868 0.294 0.000 1.137 512 T HN -0.050 nan 8.240 nan 0.000 0.511 513 A N 0.303 122.914 122.820 -0.348 0.000 2.076 513 A HA 0.070 4.391 4.320 0.002 0.000 0.220 513 A C 1.582 178.856 177.584 -0.517 0.000 1.160 513 A CA 1.271 52.958 52.037 -0.583 0.000 0.653 513 A CB -1.147 17.356 19.000 -0.828 0.000 0.801 513 A HN 0.761 nan 8.150 nan 0.000 0.455 514 F N 0.379 120.301 119.950 -0.047 0.000 2.270 514 F HA -0.031 4.498 4.527 0.002 0.000 0.295 514 F C 2.788 178.638 175.800 0.083 0.000 1.087 514 F CA 1.506 59.451 58.000 -0.092 0.000 1.365 514 F CB -1.066 37.776 39.000 -0.263 0.000 1.056 514 F HN 0.318 nan 8.300 nan 0.000 0.506 515 T N -3.547 111.160 114.554 0.254 0.000 2.901 515 T HA 0.446 4.797 4.350 0.002 0.000 0.252 515 T C 1.932 176.940 174.700 0.514 0.000 1.035 515 T CA 1.038 63.322 62.100 0.306 0.000 1.142 515 T CB -0.195 68.755 68.868 0.137 0.000 0.869 515 T HN 0.374 nan 8.240 nan 0.000 0.442 516 G N 0.239 109.195 108.800 0.261 0.000 2.485 516 G HA2 0.353 4.315 3.960 0.002 0.000 0.181 516 G HA3 0.353 4.315 3.960 0.002 0.000 0.181 516 G C 0.947 175.749 174.900 -0.165 0.000 0.999 516 G CA 0.376 45.492 45.100 0.027 0.000 0.721 516 G HN 1.489 nan 8.290 nan 0.000 0.486 517 G N 0.674 109.471 108.800 -0.005 0.000 2.528 517 G HA2 -0.240 3.721 3.960 0.002 0.000 0.262 517 G HA3 -0.240 3.721 3.960 0.002 0.000 0.262 517 G C 0.438 175.269 174.900 -0.115 0.000 1.200 517 G CA 0.864 45.929 45.100 -0.059 0.000 0.951 517 G HN 0.629 nan 8.290 nan 0.000 0.566 518 D N 0.140 120.434 120.400 -0.178 0.000 2.371 518 D HA 0.067 4.708 4.640 0.002 0.000 0.221 518 D C 2.402 178.490 176.300 -0.352 0.000 0.986 518 D CA 0.906 54.766 54.000 -0.234 0.000 0.899 518 D CB -0.005 40.675 40.800 -0.199 0.000 0.902 518 D HN 0.391 nan 8.370 nan 0.000 0.530 519 V N -0.384 119.245 119.914 -0.476 0.000 2.546 519 V HA -0.233 3.888 4.120 0.002 0.000 0.254 519 V C 1.342 176.986 176.094 -0.750 0.000 1.076 519 V CA 1.489 63.376 62.300 -0.688 0.000 1.087 519 V CB -0.451 30.750 31.823 -1.037 0.000 0.674 519 V HN 0.339 nan 8.190 nan 0.000 0.470 520 W N 0.080 121.095 121.300 -0.475 0.000 2.825 520 W HA -0.017 4.644 4.660 0.002 0.000 0.243 520 W C 2.279 178.560 176.519 -0.398 0.000 1.293 520 W CA 0.959 58.076 57.345 -0.380 0.000 1.403 520 W CB -0.399 28.875 29.460 -0.309 0.000 1.134 520 W HN 0.443 nan 8.180 nan 0.000 0.666 521 T N -3.218 111.091 114.554 -0.408 0.000 3.086 521 T HA 0.039 4.391 4.350 0.002 0.000 0.250 521 T C 0.647 175.062 174.700 -0.476 0.000 1.074 521 T CA -0.277 61.325 62.100 -0.830 0.000 0.988 521 T CB -0.317 67.671 68.868 -1.467 0.000 0.988 521 T HN -0.127 nan 8.240 nan 0.000 0.530 522 N N 3.441 121.939 118.700 -0.337 0.000 2.415 522 N HA 0.177 4.919 4.740 0.002 0.000 0.250 522 N C -1.423 173.999 175.510 -0.147 0.000 1.127 522 N CA -2.325 50.584 53.050 -0.236 0.000 0.945 522 N CB 1.506 39.830 38.487 -0.272 0.000 1.196 522 N HN 0.089 nan 8.380 nan 0.000 0.499 523 P HA -0.229 nan 4.420 nan 0.000 0.217 523 P C 1.074 178.362 177.300 -0.021 0.000 1.148 523 P CA 1.212 64.309 63.100 -0.005 0.000 0.834 523 P CB 0.437 32.153 31.700 0.026 0.000 0.783 524 K N -0.422 119.947 120.400 -0.053 0.000 2.147 524 K HA -0.146 4.175 4.320 0.002 0.000 0.205 524 K C 2.085 178.644 176.600 -0.069 0.000 1.049 524 K CA 0.857 57.111 56.287 -0.053 0.000 0.936 524 K CB -0.482 31.977 32.500 -0.069 0.000 0.722 524 K HN 0.031 nan 8.250 nan 0.000 0.446 525 L N 0.794 121.942 121.223 -0.126 0.000 2.072 525 L HA -0.106 4.235 4.340 0.002 0.000 0.205 525 L C 2.002 178.841 176.870 -0.051 0.000 1.079 525 L CA 1.282 56.021 54.840 -0.168 0.000 0.752 525 L CB -0.357 41.459 42.059 -0.405 0.000 0.906 525 L HN -0.093 nan 8.230 nan 0.000 0.436 526 V N -0.062 119.857 119.914 0.009 0.000 2.343 526 V HA -0.273 3.848 4.120 0.002 0.000 0.247 526 V C 2.493 178.636 176.094 0.082 0.000 1.051 526 V CA 2.009 64.373 62.300 0.106 0.000 1.036 526 V CB -0.607 31.285 31.823 0.116 0.000 0.654 526 V HN 0.501 nan 8.190 nan 0.000 0.451 527 E N -0.089 120.145 120.200 0.057 0.000 2.058 527 E HA -0.208 4.144 4.350 0.002 0.000 0.194 527 E C 2.273 178.923 176.600 0.083 0.000 0.997 527 E CA 1.959 58.398 56.400 0.066 0.000 0.801 527 E CB -0.366 29.359 29.700 0.043 0.000 0.746 527 E HN 0.581 nan 8.360 nan 0.000 0.450 528 T N 0.649 115.239 114.554 0.060 0.000 2.708 528 T HA -0.126 4.225 4.350 0.002 0.000 0.266 528 T C 2.112 176.894 174.700 0.138 0.000 1.037 528 T CA 1.270 63.412 62.100 0.071 0.000 1.146 528 T CB -0.204 68.670 68.868 0.009 0.000 0.865 528 T HN -0.023 nan 8.240 nan 0.000 0.435 529 V N 1.262 121.254 119.914 0.130 0.000 2.379 529 V HA -0.109 4.012 4.120 0.002 0.000 0.245 529 V C 2.620 178.849 176.094 0.224 0.000 1.044 529 V CA 1.457 63.876 62.300 0.199 0.000 1.036 529 V CB -0.584 31.321 31.823 0.136 0.000 0.664 529 V HN 0.338 nan 8.190 nan 0.000 0.453 530 R N 0.227 120.815 120.500 0.146 0.000 2.073 530 R HA -0.143 4.198 4.340 0.002 0.000 0.234 530 R C 2.484 178.950 176.300 0.276 0.000 1.134 530 R CA 1.581 57.799 56.100 0.198 0.000 0.952 530 R CB -0.645 29.777 30.300 0.204 0.000 0.850 530 R HN 0.535 nan 8.270 nan 0.000 0.433 531 A N 0.375 123.325 122.820 0.217 0.000 1.877 531 A HA -0.222 4.100 4.320 0.002 0.000 0.216 531 A C 1.904 179.619 177.584 0.218 0.000 1.186 531 A CA 1.377 53.524 52.037 0.183 0.000 0.620 531 A CB -0.907 18.181 19.000 0.148 0.000 0.822 531 A HN 0.619 nan 8.150 nan 0.000 0.443 532 W N 0.730 122.078 121.300 0.080 0.000 2.355 532 W HA -0.171 4.491 4.660 0.002 0.000 0.309 532 W C 1.997 178.578 176.519 0.103 0.000 1.206 532 W CA 2.313 59.705 57.345 0.078 0.000 1.284 532 W CB -0.462 29.040 29.460 0.070 0.000 1.145 532 W HN 0.102 nan 8.180 nan 0.000 0.502 533 V N 1.164 121.146 119.914 0.114 0.000 2.332 533 V HA -0.306 3.815 4.120 0.002 0.000 0.248 533 V C 2.365 178.479 176.094 0.035 0.000 1.055 533 V CA 2.348 64.603 62.300 -0.075 0.000 1.038 533 V CB -1.099 30.750 31.823 0.044 0.000 0.651 533 V HN 0.094 nan 8.190 nan 0.000 0.450 534 R N 1.013 121.625 120.500 0.186 0.000 2.120 534 R HA -0.089 4.252 4.340 0.002 0.000 0.234 534 R C 2.026 178.308 176.300 -0.030 0.000 1.123 534 R CA 1.402 57.554 56.100 0.088 0.000 0.975 534 R CB -0.828 29.490 30.300 0.030 0.000 0.866 534 R HN 0.530 nan 8.270 nan 0.000 0.446 535 G N -2.249 106.511 108.800 -0.067 0.000 3.088 535 G HA2 0.255 4.216 3.960 0.002 0.000 0.212 535 G HA3 0.255 4.216 3.960 0.002 0.000 0.212 535 G C 0.637 175.432 174.900 -0.174 0.000 1.173 535 G CA 0.304 45.344 45.100 -0.098 0.000 0.779 535 G HN 0.524 nan 8.290 nan 0.000 0.540 536 G N -1.591 107.072 108.800 -0.229 0.000 2.175 536 G HA2 0.051 4.012 3.960 0.002 0.000 0.182 536 G HA3 0.051 4.012 3.960 0.002 0.000 0.182 536 G C 0.677 175.329 174.900 -0.414 0.000 1.003 536 G CA 0.031 44.989 45.100 -0.238 0.000 0.666 536 G HN 0.888 nan 8.290 nan 0.000 0.506 537 G N -0.236 108.063 108.800 -0.835 0.000 2.634 537 G HA2 0.717 4.679 3.960 0.002 0.000 0.255 537 G HA3 0.717 4.679 3.960 0.002 0.000 0.255 537 G C 0.157 174.610 174.900 -0.745 0.000 1.205 537 G CA 0.496 44.666 45.100 -1.550 0.000 0.884 537 G HN 1.582 nan 8.290 nan 0.000 0.549 538 A N -0.198 122.328 122.820 -0.490 0.000 2.343 538 A HA 0.664 4.985 4.320 0.002 0.000 0.308 538 A C -1.487 176.254 177.584 0.262 0.000 1.092 538 A CA -0.584 51.431 52.037 -0.037 0.000 0.751 538 A CB 1.149 20.146 19.000 -0.005 0.000 1.203 538 A HN 0.771 nan 8.150 nan 0.000 0.452 539 F N 3.421 123.432 119.950 0.100 0.000 2.427 539 F HA 0.588 5.116 4.527 0.002 0.000 0.348 539 F C -0.870 174.969 175.800 0.065 0.000 1.125 539 F CA -0.519 57.566 58.000 0.143 0.000 0.989 539 F CB 1.703 40.774 39.000 0.117 0.000 1.165 539 F HN 0.326 nan 8.300 nan 0.000 0.442 540 V N 5.690 125.365 119.914 -0.399 0.000 2.357 540 V HA 0.642 4.763 4.120 0.002 0.000 0.284 540 V C 0.275 176.072 176.094 -0.496 0.000 1.018 540 V CA -0.584 61.543 62.300 -0.289 0.000 0.841 540 V CB 1.186 32.909 31.823 -0.166 0.000 0.991 540 V HN 0.916 nan 8.190 nan 0.000 0.437 541 G N 3.615 112.253 108.800 -0.269 0.000 2.416 541 G HA2 0.627 4.588 3.960 0.002 0.000 0.324 541 G HA3 0.627 4.588 3.960 0.002 0.000 0.324 541 G C -1.133 173.673 174.900 -0.157 0.000 1.194 541 G CA -0.451 44.524 45.100 -0.210 0.000 0.922 541 G HN 0.536 nan 8.290 nan 0.000 0.467 542 V N 2.550 122.376 119.914 -0.146 0.000 2.444 542 V HA 0.791 4.912 4.120 0.002 0.000 0.294 542 V C 1.064 177.184 176.094 0.044 0.000 1.022 542 V CA 0.729 62.955 62.300 -0.125 0.000 0.850 542 V CB 0.433 32.228 31.823 -0.047 0.000 0.992 542 V HN 1.637 nan 8.190 nan 0.000 0.426 543 G N 5.076 113.918 108.800 0.069 0.000 3.594 543 G HA2 -0.220 3.741 3.960 0.002 0.000 0.285 543 G HA3 -0.220 3.741 3.960 0.002 0.000 0.285 543 G C 0.172 175.244 174.900 0.287 0.000 1.551 543 G CA 0.387 45.673 45.100 0.311 0.000 1.061 543 G HN 0.673 nan 8.290 nan 0.000 0.624 544 E N 2.282 122.530 120.200 0.080 0.000 3.786 544 E HA 0.324 4.675 4.350 0.002 0.000 0.215 544 E C -2.699 173.614 176.600 -0.479 0.000 1.188 544 E CA -1.546 54.768 56.400 -0.143 0.000 1.248 544 E CB 2.240 32.096 29.700 0.260 0.000 1.260 544 E HN 0.398 nan 8.360 nan 0.000 0.426 545 P HA -0.035 nan 4.420 nan 0.000 0.275 545 P C 0.356 177.226 177.300 -0.716 0.000 1.228 545 P CA 0.231 63.054 63.100 -0.462 0.000 0.786 545 P CB 1.287 32.836 31.700 -0.253 0.000 0.927 546 S N -0.012 115.153 115.700 -0.891 0.000 3.476 546 S HA -0.188 4.284 4.470 0.002 0.000 0.309 546 S C 0.252 174.245 174.600 -1.012 0.000 1.222 546 S CA 0.878 57.974 58.200 -1.841 0.000 0.922 546 S CB -3.171 59.020 63.200 -1.682 0.000 1.023 546 S HN 0.803 nan 8.310 nan 0.000 0.591 547 S N 0.490 115.813 115.700 -0.629 0.000 2.548 547 S HA 0.735 5.206 4.470 0.002 0.000 0.277 547 S C 0.004 174.353 174.600 -0.420 0.000 1.315 547 S CA -0.167 57.698 58.200 -0.557 0.000 1.050 547 S CB 1.519 64.355 63.200 -0.605 0.000 0.918 547 S HN 1.993 nan 8.310 nan 0.000 0.497 548 A N 3.408 125.949 122.820 -0.466 0.000 2.442 548 A HA 0.714 5.035 4.320 0.002 0.000 0.284 548 A C -3.102 174.451 177.584 -0.051 0.000 1.058 548 A CA -1.618 50.316 52.037 -0.172 0.000 0.738 548 A CB 1.078 20.040 19.000 -0.064 0.000 1.242 548 A HN 0.636 nan 8.150 nan 0.000 0.421 549 P HA 0.450 nan 4.420 nan 0.000 0.278 549 P C 0.465 177.920 177.300 0.259 0.000 1.238 549 P CA -0.143 63.166 63.100 0.349 0.000 0.794 549 P CB 0.739 32.646 31.700 0.345 0.000 0.955 550 R N -0.953 119.705 120.500 0.263 0.000 3.902 550 R HA -0.275 4.066 4.340 0.002 0.000 0.445 550 R C 1.424 177.843 176.300 0.198 0.000 0.709 550 R CA 1.280 57.492 56.100 0.188 0.000 1.607 550 R CB -2.393 27.997 30.300 0.149 0.000 2.233 550 R HN 0.395 nan 8.270 nan 0.000 0.430 551 F N 2.132 122.121 119.950 0.065 0.000 2.069 551 F HA -0.122 4.406 4.527 0.002 0.000 0.298 551 F C 1.028 176.853 175.800 0.041 0.000 1.113 551 F CA 1.909 59.933 58.000 0.040 0.000 1.214 551 F CB 0.140 39.156 39.000 0.027 0.000 0.978 551 F HN 0.105 nan 8.300 nan 0.000 0.474 552 Q N -0.794 119.031 119.800 0.042 0.000 2.340 552 Q HA 0.205 4.546 4.340 0.002 0.000 0.268 552 Q C 0.873 176.891 176.000 0.030 0.000 1.031 552 Q CA -0.127 55.643 55.803 -0.054 0.000 0.804 552 Q CB 1.856 30.579 28.738 -0.026 0.000 1.286 552 Q HN -0.010 nan 8.270 nan 0.000 0.448 553 T N 1.011 115.564 114.554 -0.002 0.000 2.803 553 T HA -0.140 4.211 4.350 0.002 0.000 0.269 553 T C 1.314 176.031 174.700 0.028 0.000 1.052 553 T CA 1.727 63.838 62.100 0.018 0.000 1.136 553 T CB -0.004 68.862 68.868 -0.003 0.000 0.864 553 T HN 0.843 nan 8.240 nan 0.000 0.467 554 G N -0.078 108.735 108.800 0.022 0.000 3.277 554 G HA2 0.326 4.287 3.960 0.002 0.000 0.243 554 G HA3 0.326 4.287 3.960 0.002 0.000 0.243 554 G C 0.273 175.202 174.900 0.047 0.000 1.107 554 G CA -0.377 44.741 45.100 0.029 0.000 0.771 554 G HN 0.126 nan 8.290 nan 0.000 0.544 555 R N -0.425 120.116 120.500 0.068 0.000 2.605 555 R HA 0.414 4.755 4.340 0.002 0.000 0.291 555 R C -0.731 175.657 176.300 0.147 0.000 1.226 555 R CA -1.263 54.880 56.100 0.071 0.000 0.981 555 R CB 0.113 30.447 30.300 0.056 0.000 1.215 555 R HN -0.023 nan 8.270 nan 0.000 0.428 556 F N 3.581 123.490 119.950 -0.068 0.000 2.164 556 F HA 0.359 4.887 4.527 0.002 0.000 0.287 556 F C 0.108 175.979 175.800 0.118 0.000 1.086 556 F CA 0.511 58.501 58.000 -0.017 0.000 1.249 556 F CB 0.212 39.129 39.000 -0.138 0.000 1.059 556 F HN 0.345 nan 8.300 nan 0.000 0.490 557 F N 2.865 122.746 119.950 -0.115 0.000 2.466 557 F HA 0.169 4.697 4.527 0.002 0.000 0.363 557 F C 1.525 177.180 175.800 -0.243 0.000 1.109 557 F CA -0.896 56.938 58.000 -0.276 0.000 1.161 557 F CB 0.019 38.886 39.000 -0.222 0.000 1.117 557 F HN 0.141 nan 8.300 nan 0.000 0.539 558 Q N 2.765 122.487 119.800 -0.130 0.000 2.224 558 Q HA -0.026 4.315 4.340 0.002 0.000 0.203 558 Q C 1.377 177.310 176.000 -0.112 0.000 0.970 558 Q CA 1.025 56.787 55.803 -0.068 0.000 0.865 558 Q CB 0.093 28.828 28.738 -0.005 0.000 0.922 558 Q HN 0.645 nan 8.270 nan 0.000 0.445 559 L N 0.422 121.486 121.223 -0.265 0.000 2.912 559 L HA 0.278 4.620 4.340 0.002 0.000 0.240 559 L C 1.554 178.317 176.870 -0.178 0.000 1.262 559 L CA -0.268 54.398 54.840 -0.290 0.000 1.058 559 L CB -0.228 41.480 42.059 -0.584 0.000 1.383 559 L HN -0.008 nan 8.230 nan 0.000 0.512 560 A N 0.911 123.692 122.820 -0.065 0.000 1.986 560 A HA -0.255 4.066 4.320 0.002 0.000 0.220 560 A C 2.059 179.603 177.584 -0.066 0.000 1.171 560 A CA 2.102 54.113 52.037 -0.043 0.000 0.640 560 A CB -0.283 18.668 19.000 -0.082 0.000 0.811 560 A HN 0.660 nan 8.150 nan 0.000 0.451 561 D N -0.073 120.298 120.400 -0.049 0.000 2.178 561 D HA -0.102 4.539 4.640 0.002 0.000 0.202 561 D C 1.780 178.074 176.300 -0.011 0.000 0.974 561 D CA 1.538 55.555 54.000 0.029 0.000 0.841 561 D CB -0.830 40.048 40.800 0.130 0.000 0.953 561 D HN 0.272 nan 8.370 nan 0.000 0.478 562 V N 1.891 121.633 119.914 -0.286 0.000 2.283 562 V HA -0.165 3.957 4.120 0.002 0.000 0.243 562 V C 2.635 178.627 176.094 -0.170 0.000 1.039 562 V CA 1.779 63.728 62.300 -0.584 0.000 1.016 562 V CB -0.567 30.832 31.823 -0.707 0.000 0.650 562 V HN 0.369 nan 8.190 nan 0.000 0.449 563 I N -1.695 118.837 120.570 -0.062 0.000 3.578 563 I HA 0.436 4.607 4.170 0.002 0.000 0.295 563 I C 1.522 177.659 176.117 0.033 0.000 1.280 563 I CA 0.931 62.266 61.300 0.058 0.000 1.347 563 I CB -0.219 37.876 38.000 0.158 0.000 1.051 563 I HN 0.399 nan 8.210 nan 0.000 0.460 564 G N 1.482 110.273 108.800 -0.015 0.000 2.159 564 G HA2 -0.208 3.754 3.960 0.002 0.000 0.256 564 G HA3 -0.208 3.754 3.960 0.002 0.000 0.256 564 G C 0.039 174.851 174.900 -0.148 0.000 0.977 564 G CA 0.215 45.288 45.100 -0.045 0.000 0.652 564 G HN 0.384 nan 8.290 nan 0.000 0.531 565 V N 0.023 119.817 119.914 -0.200 0.000 2.841 565 V HA 0.763 4.884 4.120 0.002 0.000 0.310 565 V C -0.755 175.060 176.094 -0.466 0.000 1.090 565 V CA -0.631 61.429 62.300 -0.400 0.000 0.930 565 V CB 2.171 33.702 31.823 -0.488 0.000 1.014 565 V HN 0.285 nan 8.190 nan 0.000 0.425 566 D N 1.477 121.354 120.400 -0.872 0.000 2.531 566 D HA 0.408 5.049 4.640 0.002 0.000 0.244 566 D C -1.048 174.543 176.300 -1.181 0.000 1.090 566 D CA -0.519 52.846 54.000 -1.057 0.000 0.989 566 D CB 2.682 43.000 40.800 -0.803 0.000 1.433 566 D HN 0.642 nan 8.370 nan 0.000 0.492 567 E N 1.023 120.515 120.200 -1.181 0.000 2.156 567 E HA 0.235 4.586 4.350 0.002 0.000 0.279 567 E C -0.920 175.482 176.600 -0.331 0.000 0.965 567 E CA -0.618 55.403 56.400 -0.631 0.000 0.789 567 E CB 1.106 30.487 29.700 -0.531 0.000 1.098 567 E HN 0.271 nan 8.360 nan 0.000 0.397 568 E N 3.490 123.611 120.200 -0.133 0.000 2.376 568 E HA -0.005 4.346 4.350 0.002 0.000 0.266 568 E C -0.205 176.124 176.600 -0.450 0.000 1.009 568 E CA 0.167 56.455 56.400 -0.186 0.000 0.902 568 E CB 0.572 30.137 29.700 -0.225 0.000 0.972 568 E HN 0.368 nan 8.360 nan 0.000 0.439 569 R N 4.005 124.273 120.500 -0.387 0.000 2.613 569 R HA 0.093 4.434 4.340 0.002 0.000 0.361 569 R C -0.371 175.881 176.300 -0.081 0.000 1.072 569 R CA -0.390 55.508 56.100 -0.338 0.000 1.089 569 R CB -0.611 29.488 30.300 -0.336 0.000 1.343 569 R HN 0.803 nan 8.270 nan 0.000 0.571 570 Y N -0.521 119.718 120.300 -0.101 0.000 4.668 570 Y HA -0.288 4.263 4.550 0.002 0.000 0.234 570 Y C 1.286 177.148 175.900 -0.064 0.000 1.056 570 Y CA 0.725 58.779 58.100 -0.076 0.000 2.025 570 Y CB -1.691 36.729 38.460 -0.066 0.000 1.613 570 Y HN 0.116 nan 8.280 nan 0.000 0.653 571 Q N -0.440 119.370 119.800 0.017 0.000 2.396 571 Q HA 0.160 4.502 4.340 0.002 0.000 0.209 571 Q C 1.377 177.364 176.000 -0.023 0.000 0.906 571 Q CA 1.345 57.152 55.803 0.006 0.000 0.927 571 Q CB 0.367 29.108 28.738 0.004 0.000 1.069 571 Q HN 0.667 nan 8.270 nan 0.000 0.523 572 T N -2.506 112.012 114.554 -0.060 0.000 3.355 572 T HA 0.401 4.752 4.350 0.002 0.000 0.276 572 T C 1.220 175.845 174.700 -0.124 0.000 1.003 572 T CA -0.232 61.817 62.100 -0.085 0.000 0.943 572 T CB -0.302 68.511 68.868 -0.090 0.000 1.158 572 T HN -0.009 nan 8.240 nan 0.000 0.513 573 L N 0.271 121.442 121.223 -0.087 0.000 2.291 573 L HA 0.048 4.389 4.340 0.002 0.000 0.214 573 L C 2.534 179.352 176.870 -0.088 0.000 1.120 573 L CA 0.598 55.383 54.840 -0.091 0.000 0.799 573 L CB -0.380 41.661 42.059 -0.029 0.000 0.925 573 L HN 0.359 nan 8.230 nan 0.000 0.446 574 S N -0.593 115.066 115.700 -0.069 0.000 2.453 574 S HA -0.019 4.452 4.470 0.002 0.000 0.231 574 S C 0.872 175.427 174.600 -0.075 0.000 1.005 574 S CA 0.229 58.394 58.200 -0.058 0.000 0.949 574 S CB 0.021 63.198 63.200 -0.038 0.000 0.774 574 S HN 0.084 nan 8.310 nan 0.000 0.510 575 V N 3.409 123.259 119.914 -0.106 0.000 2.389 575 V HA 0.174 4.295 4.120 0.002 0.000 0.264 575 V C -0.344 175.630 176.094 -0.200 0.000 1.049 575 V CA -0.746 61.478 62.300 -0.126 0.000 0.932 575 V CB 0.409 32.154 31.823 -0.131 0.000 1.011 575 V HN 0.213 nan 8.190 nan 0.000 0.475 576 D N 4.739 125.025 120.400 -0.190 0.000 2.425 576 D HA 0.174 4.815 4.640 0.002 0.000 0.247 576 D C 0.132 176.125 176.300 -0.512 0.000 1.147 576 D CA 0.143 53.931 54.000 -0.354 0.000 0.879 576 D CB 0.586 41.167 40.800 -0.366 0.000 1.179 576 D HN 0.338 nan 8.370 nan 0.000 0.456 577 K N 2.658 122.747 120.400 -0.518 0.000 2.211 577 K HA 0.286 4.607 4.320 0.002 0.000 0.275 577 K C -0.966 175.414 176.600 -0.367 0.000 1.024 577 K CA -0.534 55.529 56.287 -0.374 0.000 0.887 577 K CB 0.754 33.112 32.500 -0.237 0.000 1.084 577 K HN 0.404 nan 8.250 nan 0.000 0.463 578 Y N 2.041 122.421 120.300 0.132 0.000 2.334 578 Y HA 0.315 4.866 4.550 0.002 0.000 0.336 578 Y C -0.349 175.672 175.900 0.202 0.000 0.960 578 Y CA -0.931 57.270 58.100 0.167 0.000 1.164 578 Y CB 0.838 39.335 38.460 0.062 0.000 1.155 578 Y HN 0.343 nan 8.280 nan 0.000 0.478 579 F N 5.929 125.934 119.950 0.092 0.000 2.405 579 F HA 0.432 4.960 4.527 0.002 0.000 0.355 579 F C -1.907 173.874 175.800 -0.030 0.000 1.121 579 F CA -3.153 54.867 58.000 0.032 0.000 1.112 579 F CB 0.880 39.888 39.000 0.013 0.000 1.126 579 F HN 0.309 nan 8.300 nan 0.000 0.481 580 P HA 0.178 nan 4.420 nan 0.000 0.272 580 P C -2.740 174.518 177.300 -0.070 0.000 1.240 580 P CA -1.518 61.582 63.100 -0.000 0.000 0.791 580 P CB 0.098 31.804 31.700 0.009 0.000 0.978 581 P HA 0.052 nan 4.420 nan 0.000 0.268 581 P C -0.205 177.163 177.300 0.113 0.000 1.204 581 P CA 0.036 63.009 63.100 -0.211 0.000 0.768 581 P CB 0.165 31.818 31.700 -0.077 0.000 0.842 582 V N 4.394 124.510 119.914 0.337 0.000 2.599 582 V HA -0.051 4.070 4.120 0.002 0.000 0.300 582 V C 0.599 176.891 176.094 0.329 0.000 1.034 582 V CA 0.267 62.781 62.300 0.356 0.000 1.115 582 V CB 0.688 32.800 31.823 0.482 0.000 0.934 582 V HN 0.236 nan 8.190 nan 0.000 0.485 583 V N 8.944 128.967 119.914 0.182 0.000 2.322 583 V HA 0.192 4.313 4.120 0.002 0.000 0.258 583 V C -0.970 175.190 176.094 0.109 0.000 1.074 583 V CA -0.774 61.621 62.300 0.159 0.000 0.909 583 V CB 1.043 32.941 31.823 0.125 0.000 1.090 583 V HN 0.871 nan 8.190 nan 0.000 0.486 584 P HA 0.101 nan 4.420 nan 0.000 0.240 584 P C -0.064 177.258 177.300 0.037 0.000 1.190 584 P CA 0.374 63.482 63.100 0.013 0.000 0.781 584 P CB 0.610 32.302 31.700 -0.013 0.000 0.931 585 D N 0.579 121.033 120.400 0.091 0.000 2.414 585 D HA 0.311 4.952 4.640 0.002 0.000 0.232 585 D C -0.356 176.023 176.300 0.131 0.000 1.070 585 D CA 0.186 54.234 54.000 0.081 0.000 0.839 585 D CB 0.949 41.793 40.800 0.074 0.000 1.079 585 D HN 0.157 nan 8.370 nan 0.000 0.521 586 H N 1.587 120.643 119.070 -0.023 0.000 3.094 586 H HA -0.010 4.548 4.556 0.002 0.000 0.346 586 H C 0.017 175.324 175.328 -0.035 0.000 1.238 586 H CA -0.595 55.438 56.048 -0.026 0.000 1.209 586 H CB 1.173 30.892 29.762 -0.073 0.000 1.911 586 H HN 0.247 nan 8.280 nan 0.000 0.540 587 F N 3.734 123.449 119.950 -0.391 0.000 2.085 587 F HA -0.245 4.283 4.527 0.002 0.000 0.299 587 F C 1.875 177.605 175.800 -0.117 0.000 1.096 587 F CA 2.320 60.175 58.000 -0.242 0.000 1.227 587 F CB -0.117 38.742 39.000 -0.234 0.000 0.983 587 F HN 0.571 nan 8.300 nan 0.000 0.482 588 I N -0.231 120.485 120.570 0.244 0.000 2.315 588 I HA -0.256 3.915 4.170 0.002 0.000 0.248 588 I C 1.964 178.038 176.117 -0.072 0.000 1.117 588 I CA 1.780 63.131 61.300 0.084 0.000 1.404 588 I CB -0.713 37.323 38.000 0.060 0.000 1.071 588 I HN 0.288 nan 8.210 nan 0.000 0.419 589 T N -1.656 112.874 114.554 -0.040 0.000 3.188 589 T HA 0.342 4.693 4.350 0.002 0.000 0.250 589 T C 1.615 176.244 174.700 -0.118 0.000 1.077 589 T CA 0.366 62.419 62.100 -0.078 0.000 0.967 589 T CB 0.263 69.102 68.868 -0.050 0.000 1.006 589 T HN 0.253 nan 8.240 nan 0.000 0.552 590 A N 2.240 124.947 122.820 -0.189 0.000 1.972 590 A HA -0.062 4.260 4.320 0.002 0.000 0.219 590 A C 2.001 179.488 177.584 -0.161 0.000 1.169 590 A CA 1.260 53.183 52.037 -0.190 0.000 0.635 590 A CB -0.374 18.451 19.000 -0.291 0.000 0.810 590 A HN 0.444 nan 8.150 nan 0.000 0.446 591 D N -0.570 119.725 120.400 -0.175 0.000 2.339 591 D HA 0.137 4.778 4.640 0.002 0.000 0.217 591 D C 0.083 176.317 176.300 -0.109 0.000 1.050 591 D CA 0.110 54.033 54.000 -0.129 0.000 0.856 591 D CB 0.184 40.911 40.800 -0.122 0.000 0.922 591 D HN 0.140 nan 8.370 nan 0.000 0.518 592 V N 3.311 123.156 119.914 -0.115 0.000 2.485 592 V HA 0.053 4.174 4.120 0.002 0.000 0.287 592 V C -1.861 174.177 176.094 -0.093 0.000 1.022 592 V CA -1.108 61.125 62.300 -0.112 0.000 1.067 592 V CB 0.330 32.082 31.823 -0.119 0.000 0.967 592 V HN -0.042 nan 8.190 nan 0.000 0.479 593 P HA 0.070 nan 4.420 nan 0.000 0.262 593 P C -0.420 176.842 177.300 -0.065 0.000 1.182 593 P CA 0.080 63.139 63.100 -0.068 0.000 0.761 593 P CB 0.308 31.969 31.700 -0.065 0.000 0.795 594 V N 3.730 123.613 119.914 -0.050 0.000 2.583 594 V HA 0.151 4.272 4.120 0.002 0.000 0.287 594 V C 0.500 176.575 176.094 -0.032 0.000 1.051 594 V CA 0.189 62.463 62.300 -0.043 0.000 1.010 594 V CB 1.182 32.988 31.823 -0.029 0.000 0.988 594 V HN 0.539 nan 8.190 nan 0.000 0.478 595 D N 6.271 126.652 120.400 -0.031 0.000 2.464 595 D HA 0.371 5.012 4.640 0.002 0.000 0.243 595 D C -1.862 174.438 176.300 0.001 0.000 1.104 595 D CA -2.080 51.909 54.000 -0.018 0.000 0.883 595 D CB 2.206 42.990 40.800 -0.026 0.000 1.050 595 D HN 0.179 nan 8.370 nan 0.000 0.524 596 P HA -0.045 nan 4.420 nan 0.000 0.218 596 P C 1.176 178.497 177.300 0.035 0.000 1.149 596 P CA 0.942 64.058 63.100 0.026 0.000 0.817 596 P CB 0.281 31.993 31.700 0.020 0.000 0.785 597 A N 0.187 123.021 122.820 0.024 0.000 1.908 597 A HA -0.117 4.204 4.320 0.002 0.000 0.218 597 A C 2.327 179.936 177.584 0.043 0.000 1.181 597 A CA 2.214 54.268 52.037 0.028 0.000 0.627 597 A CB -1.511 17.499 19.000 0.017 0.000 0.818 597 A HN 0.228 nan 8.150 nan 0.000 0.445 598 A N -0.507 122.337 122.820 0.040 0.000 1.930 598 A HA -0.008 4.313 4.320 0.002 0.000 0.215 598 A C 2.182 179.835 177.584 0.115 0.000 1.176 598 A CA 1.491 53.562 52.037 0.056 0.000 0.632 598 A CB -0.409 18.601 19.000 0.017 0.000 0.819 598 A HN 0.545 nan 8.150 nan 0.000 0.445 599 R N 0.018 120.582 120.500 0.106 0.000 2.081 599 R HA -0.158 4.183 4.340 0.002 0.000 0.235 599 R C 2.036 178.502 176.300 0.277 0.000 1.131 599 R CA 1.923 58.151 56.100 0.214 0.000 0.960 599 R CB -0.306 30.076 30.300 0.136 0.000 0.856 599 R HN 0.649 nan 8.270 nan 0.000 0.436 600 E N -0.446 119.841 120.200 0.145 0.000 2.047 600 E HA -0.164 4.187 4.350 0.002 0.000 0.191 600 E C 1.855 178.498 176.600 0.072 0.000 0.987 600 E CA 1.136 57.590 56.400 0.089 0.000 0.799 600 E CB -0.117 29.614 29.700 0.052 0.000 0.752 600 E HN 0.506 nan 8.360 nan 0.000 0.449 601 A N 0.515 123.387 122.820 0.087 0.000 1.908 601 A HA -0.208 4.113 4.320 0.002 0.000 0.218 601 A C 1.858 179.493 177.584 0.087 0.000 1.181 601 A CA 1.507 53.585 52.037 0.068 0.000 0.627 601 A CB -1.080 17.962 19.000 0.070 0.000 0.818 601 A HN 0.650 nan 8.150 nan 0.000 0.445 602 W N 0.824 122.097 121.300 -0.046 0.000 2.379 602 W HA -0.136 4.525 4.660 0.001 0.000 0.307 602 W C 1.892 178.342 176.519 -0.115 0.000 1.200 602 W CA 1.892 59.195 57.345 -0.070 0.000 1.297 602 W CB -0.263 29.170 29.460 -0.045 0.000 1.140 602 W HN 0.445 nan 8.180 nan 0.000 0.507 603 E N -0.389 119.688 120.200 -0.205 0.000 2.150 603 E HA -0.252 4.100 4.350 0.002 0.000 0.193 603 E C 2.259 178.656 176.600 -0.338 0.000 0.985 603 E CA 1.397 57.523 56.400 -0.456 0.000 0.814 603 E CB -0.203 29.384 29.700 -0.188 0.000 0.752 603 E HN 0.356 nan 8.360 nan 0.000 0.466 604 Q N -0.163 119.526 119.800 -0.184 0.000 2.083 604 Q HA -0.055 4.286 4.340 0.002 0.000 0.198 604 Q C 2.200 178.102 176.000 -0.163 0.000 0.969 604 Q CA 1.259 56.980 55.803 -0.137 0.000 0.838 604 Q CB -0.168 28.528 28.738 -0.070 0.000 0.900 604 Q HN 0.240 nan 8.270 nan 0.000 0.436 605 A N 0.644 123.358 122.820 -0.178 0.000 2.014 605 A HA 0.233 4.554 4.320 0.002 0.000 0.218 605 A C 1.229 178.675 177.584 -0.229 0.000 1.163 605 A CA 1.329 53.271 52.037 -0.158 0.000 0.652 605 A CB -0.673 18.265 19.000 -0.104 0.000 0.808 605 A HN 0.446 nan 8.150 nan 0.000 0.449 606 G N -2.167 106.387 108.800 -0.410 0.000 2.698 606 G HA2 -0.178 3.783 3.960 0.002 0.000 0.233 606 G HA3 -0.178 3.783 3.960 0.002 0.000 0.233 606 G C -0.464 174.146 174.900 -0.484 0.000 1.352 606 G CA 0.019 44.813 45.100 -0.510 0.000 0.879 606 G HN 0.545 nan 8.290 nan 0.000 0.567 607 Y N 0.572 120.795 120.300 -0.129 0.000 2.361 607 Y HA 0.613 5.165 4.550 0.002 0.000 0.332 607 Y C 1.478 177.347 175.900 -0.051 0.000 1.101 607 Y CA -0.785 57.271 58.100 -0.074 0.000 1.137 607 Y CB 1.120 39.554 38.460 -0.042 0.000 1.207 607 Y HN 0.580 nan 8.280 nan 0.000 0.463 608 R N 3.374 123.953 120.500 0.132 0.000 2.484 608 R HA 0.204 4.545 4.340 0.002 0.000 0.293 608 R C -0.137 176.205 176.300 0.070 0.000 1.023 608 R CA -0.224 55.908 56.100 0.052 0.000 1.037 608 R CB 0.025 30.324 30.300 -0.001 0.000 0.951 608 R HN 0.679 nan 8.270 nan 0.000 0.418 609 I N 0.978 121.580 120.570 0.052 0.000 2.638 609 I HA 0.290 4.461 4.170 0.002 0.000 0.286 609 I C -2.025 174.134 176.117 0.070 0.000 1.088 609 I CA -2.483 58.852 61.300 0.059 0.000 1.397 609 I CB 0.400 38.423 38.000 0.037 0.000 1.414 609 I HN 0.331 nan 8.210 nan 0.000 0.566 610 P HA 0.046 nan 4.420 nan 0.000 0.259 610 P C -0.963 176.389 177.300 0.087 0.000 1.163 610 P CA 0.251 63.448 63.100 0.162 0.000 0.760 610 P CB 0.335 32.138 31.700 0.171 0.000 0.762 611 L N 2.855 124.115 121.223 0.062 0.000 2.422 611 L HA 0.461 4.803 4.340 0.002 0.000 0.264 611 L C -0.154 176.723 176.870 0.012 0.000 0.984 611 L CA -0.746 54.110 54.840 0.026 0.000 0.819 611 L CB 2.198 44.259 42.059 0.004 0.000 1.330 611 L HN 0.175 nan 8.230 nan 0.000 0.410 612 S N 2.736 118.443 115.700 0.011 0.000 2.575 612 S HA 0.369 4.841 4.470 0.002 0.000 0.295 612 S C 1.342 175.930 174.600 -0.020 0.000 1.267 612 S CA 1.051 59.252 58.200 0.002 0.000 1.074 612 S CB -0.367 62.834 63.200 0.002 0.000 0.829 612 S HN 1.839 nan 8.310 nan 0.000 0.497 613 G N 3.215 111.995 108.800 -0.034 0.000 2.205 613 G HA2 -0.288 3.673 3.960 0.002 0.000 0.269 613 G HA3 -0.288 3.673 3.960 0.002 0.000 0.269 613 G C 0.650 175.503 174.900 -0.079 0.000 0.977 613 G CA 0.530 45.597 45.100 -0.055 0.000 0.652 613 G HN 0.908 nan 8.290 nan 0.000 0.539 614 C N 0.180 119.428 119.300 -0.087 0.000 3.491 614 C HA 0.638 5.099 4.460 0.002 0.000 0.298 614 C C 2.130 177.019 174.990 -0.168 0.000 1.424 614 C CA 0.084 59.037 59.018 -0.108 0.000 1.772 614 C CB -0.688 27.008 27.740 -0.073 0.000 2.447 614 C HN 1.883 nan 8.230 nan 0.000 0.670 615 G N 1.326 109.981 108.800 -0.242 0.000 2.581 615 G HA2 0.246 4.207 3.960 0.002 0.000 0.291 615 G HA3 0.246 4.207 3.960 0.002 0.000 0.291 615 G C 0.016 174.805 174.900 -0.185 0.000 1.277 615 G CA 0.208 45.015 45.100 -0.489 0.000 0.959 615 G HN 1.421 nan 8.290 nan 0.000 0.554 616 G N -3.974 104.761 108.800 -0.110 0.000 2.506 616 G HA2 0.710 4.671 3.960 0.002 0.000 0.292 616 G HA3 0.710 4.671 3.960 0.002 0.000 0.292 616 G C 0.902 175.888 174.900 0.143 0.000 1.425 616 G CA 1.181 46.344 45.100 0.105 0.000 0.788 616 G HN 2.648 nan 8.290 nan 0.000 0.490 617 G N -1.319 107.531 108.800 0.083 0.000 2.213 617 G HA2 -0.176 3.785 3.960 0.002 0.000 0.236 617 G HA3 -0.176 3.785 3.960 0.002 0.000 0.236 617 G C 0.328 175.220 174.900 -0.013 0.000 0.991 617 G CA 0.813 45.926 45.100 0.022 0.000 0.629 617 G HN 0.943 nan 8.290 nan 0.000 0.517 618 Q N 1.639 121.351 119.800 -0.145 0.000 2.332 618 Q HA 0.533 4.874 4.340 0.002 0.000 0.263 618 Q C 0.776 176.859 176.000 0.138 0.000 0.979 618 Q CA 0.515 56.173 55.803 -0.241 0.000 0.885 618 Q CB 1.212 29.634 28.738 -0.527 0.000 1.218 618 Q HN 0.710 nan 8.270 nan 0.000 0.405 619 S N 1.935 117.805 115.700 0.283 0.000 2.533 619 S HA 0.136 4.607 4.470 0.002 0.000 0.282 619 S C 0.853 175.511 174.600 0.097 0.000 1.304 619 S CA -0.473 57.879 58.200 0.253 0.000 1.063 619 S CB 0.294 63.768 63.200 0.457 0.000 0.881 619 S HN 0.660 nan 8.310 nan 0.000 0.493 620 I N 1.500 122.073 120.570 0.004 0.000 2.361 620 I HA -0.056 4.115 4.170 0.002 0.000 0.251 620 I C 1.327 177.462 176.117 0.031 0.000 1.133 620 I CA 1.176 62.473 61.300 -0.004 0.000 1.413 620 I CB -0.070 37.906 38.000 -0.040 0.000 1.073 620 I HN 0.620 nan 8.210 nan 0.000 0.424 621 K N 0.758 121.200 120.400 0.071 0.000 2.328 621 K HA 0.390 4.712 4.320 0.002 0.000 0.246 621 K C -2.518 174.227 176.600 0.242 0.000 0.955 621 K CA -1.854 54.506 56.287 0.122 0.000 0.817 621 K CB 2.207 34.763 32.500 0.092 0.000 1.208 621 K HN -0.253 nan 8.250 nan 0.000 0.432 622 P HA 0.036 nan 4.420 nan 0.000 0.286 622 P C 0.281 177.612 177.300 0.052 0.000 1.269 622 P CA -0.432 62.743 63.100 0.125 0.000 0.787 622 P CB 0.967 32.712 31.700 0.074 0.000 0.920 623 L N 4.248 125.362 121.223 -0.182 0.000 2.056 623 L HA 0.057 4.398 4.340 0.002 0.000 0.207 623 L C 1.391 178.136 176.870 -0.208 0.000 1.078 623 L CA 2.650 57.206 54.840 -0.474 0.000 0.749 623 L CB -1.624 39.772 42.059 -1.104 0.000 0.901 623 L HN 0.808 nan 8.230 nan 0.000 0.433 624 G N -1.229 107.503 108.800 -0.113 0.000 2.578 624 G HA2 0.018 3.979 3.960 0.002 0.000 0.275 624 G HA3 0.018 3.979 3.960 0.002 0.000 0.275 624 G C 1.023 175.874 174.900 -0.083 0.000 1.271 624 G CA 0.286 45.358 45.100 -0.047 0.000 0.941 624 G HN 1.573 nan 8.290 nan 0.000 0.564 625 G N -2.187 106.563 108.800 -0.084 0.000 2.195 625 G HA2 -0.088 3.873 3.960 0.002 0.000 0.246 625 G HA3 -0.088 3.873 3.960 0.002 0.000 0.246 625 G C 0.291 175.089 174.900 -0.169 0.000 0.984 625 G CA 0.962 45.995 45.100 -0.112 0.000 0.633 625 G HN 1.676 nan 8.290 nan 0.000 0.525 626 I N 0.863 121.294 120.570 -0.232 0.000 2.499 626 I HA 0.321 4.492 4.170 0.002 0.000 0.288 626 I C -1.098 174.699 176.117 -0.533 0.000 1.048 626 I CA -0.951 60.062 61.300 -0.477 0.000 1.062 626 I CB 2.039 39.556 38.000 -0.805 0.000 1.238 626 I HN 0.005 nan 8.210 nan 0.000 0.426 627 D N 5.530 125.670 120.400 -0.433 0.000 2.374 627 D HA 0.184 4.825 4.640 0.002 0.000 0.240 627 D C 0.087 176.171 176.300 -0.360 0.000 1.229 627 D CA 0.173 54.012 54.000 -0.269 0.000 0.895 627 D CB 0.418 41.130 40.800 -0.147 0.000 1.046 627 D HN 0.263 nan 8.370 nan 0.000 0.498 628 F N 2.333 122.241 119.950 -0.070 0.000 2.693 628 F HA 0.299 4.827 4.527 0.002 0.000 0.303 628 F C 1.912 177.615 175.800 -0.163 0.000 1.097 628 F CA 0.447 58.379 58.000 -0.113 0.000 1.330 628 F CB 0.001 38.949 39.000 -0.088 0.000 1.067 628 F HN 0.608 nan 8.300 nan 0.000 0.565 629 G N 0.197 108.994 108.800 -0.004 0.000 2.528 629 G HA2 -0.243 3.718 3.960 0.002 0.000 0.262 629 G HA3 -0.243 3.718 3.960 0.002 0.000 0.262 629 G C -0.231 174.650 174.900 -0.032 0.000 1.200 629 G CA -0.704 44.314 45.100 -0.136 0.000 0.951 629 G HN 0.085 nan 8.290 nan 0.000 0.566 630 E N 2.680 122.803 120.200 -0.128 0.000 2.417 630 E HA 0.269 4.620 4.350 0.002 0.000 0.261 630 E C -1.594 175.017 176.600 0.018 0.000 1.000 630 E CA -0.658 55.737 56.400 -0.009 0.000 0.919 630 E CB 0.726 30.411 29.700 -0.024 0.000 0.955 630 E HN 0.406 nan 8.360 nan 0.000 0.455 631 P HA 0.071 nan 4.420 nan 0.000 0.272 631 P C -0.418 176.947 177.300 0.109 0.000 1.223 631 P CA -0.278 62.871 63.100 0.081 0.000 0.784 631 P CB 0.696 32.447 31.700 0.085 0.000 0.923 632 V N 4.006 124.002 119.914 0.136 0.000 2.311 632 V HA 0.177 4.298 4.120 0.002 0.000 0.275 632 V C 0.703 176.880 176.094 0.138 0.000 1.022 632 V CA -0.626 61.787 62.300 0.188 0.000 0.830 632 V CB 0.453 32.460 31.823 0.306 0.000 1.012 632 V HN 0.390 nan 8.190 nan 0.000 0.452 633 L N 5.468 126.756 121.223 0.108 0.000 2.453 633 L HA 0.272 4.613 4.340 0.002 0.000 0.272 633 L C 1.020 177.898 176.870 0.014 0.000 1.182 633 L CA -0.043 54.839 54.840 0.071 0.000 0.858 633 L CB 0.035 42.146 42.059 0.087 0.000 1.120 633 L HN 0.759 nan 8.230 nan 0.000 0.474 634 N N -0.008 118.702 118.700 0.017 0.000 2.725 634 N HA -0.155 4.586 4.740 0.002 0.000 0.249 634 N C 0.129 175.655 175.510 0.026 0.000 1.103 634 N CA 1.105 54.151 53.050 -0.005 0.000 0.707 634 N CB -1.682 36.711 38.487 -0.157 0.000 1.043 634 N HN 0.891 nan 8.380 nan 0.000 0.553 635 T N -0.937 113.629 114.554 0.019 0.000 2.926 635 T HA 0.399 4.750 4.350 0.002 0.000 0.307 635 T C 0.162 174.878 174.700 0.026 0.000 1.059 635 T CA -0.195 61.850 62.100 -0.091 0.000 1.122 635 T CB 0.974 69.772 68.868 -0.117 0.000 0.972 635 T HN 0.370 nan 8.240 nan 0.000 0.545 636 Y N -0.787 119.352 120.300 -0.268 0.000 2.609 636 Y HA 0.707 5.258 4.550 0.002 0.000 0.336 636 Y C -3.289 172.324 175.900 -0.478 0.000 1.129 636 Y CA -3.259 54.593 58.100 -0.415 0.000 1.040 636 Y CB 0.635 38.933 38.460 -0.271 0.000 1.310 636 Y HN 0.470 nan 8.280 nan 0.000 0.460 637 P HA 0.077 nan 4.420 nan 0.000 0.279 637 P C 0.832 178.037 177.300 -0.158 0.000 1.239 637 P CA -0.227 62.660 63.100 -0.354 0.000 0.789 637 P CB 2.227 33.720 31.700 -0.344 0.000 0.933 638 V N 0.288 120.091 119.914 -0.185 0.000 2.548 638 V HA -0.079 4.043 4.120 0.002 0.000 0.249 638 V C 0.595 176.707 176.094 0.031 0.000 1.055 638 V CA 1.504 63.770 62.300 -0.057 0.000 1.065 638 V CB -1.631 30.133 31.823 -0.098 0.000 0.681 638 V HN 0.710 nan 8.190 nan 0.000 0.462 639 N N -1.514 117.188 118.700 0.003 0.000 3.039 639 N HA 0.286 5.027 4.740 0.002 0.000 0.257 639 N C -0.186 175.332 175.510 0.012 0.000 1.497 639 N CA -0.550 52.517 53.050 0.029 0.000 0.861 639 N CB 0.913 39.418 38.487 0.030 0.000 1.479 639 N HN 0.028 nan 8.380 nan 0.000 0.547 640 E N -1.074 119.143 120.200 0.027 0.000 2.502 640 E HA 0.103 4.454 4.350 0.002 0.000 0.194 640 E C -0.066 176.544 176.600 0.016 0.000 1.062 640 E CA 0.315 56.728 56.400 0.021 0.000 0.867 640 E CB -0.420 29.296 29.700 0.028 0.000 0.888 640 E HN 0.526 nan 8.360 nan 0.000 0.510 641 N N -0.268 118.444 118.700 0.019 0.000 2.353 641 N HA 0.006 4.747 4.740 0.002 0.000 0.185 641 N C -0.160 175.370 175.510 0.034 0.000 1.098 641 N CA -0.206 52.862 53.050 0.029 0.000 0.872 641 N CB 0.717 39.223 38.487 0.032 0.000 0.970 641 N HN -0.122 nan 8.380 nan 0.000 0.467 642 V N 1.478 121.402 119.914 0.017 0.000 2.740 642 V HA -0.007 4.115 4.120 0.002 0.000 0.303 642 V C 0.644 176.746 176.094 0.013 0.000 1.054 642 V CA 0.184 62.492 62.300 0.012 0.000 1.106 642 V CB 1.102 32.908 31.823 -0.028 0.000 0.957 642 V HN 0.147 nan 8.190 nan 0.000 0.486 643 T N 6.718 121.285 114.554 0.021 0.000 2.728 643 T HA 0.451 4.802 4.350 0.002 0.000 0.296 643 T C -0.112 174.569 174.700 -0.032 0.000 0.940 643 T CA -0.190 61.913 62.100 0.006 0.000 1.013 643 T CB 0.070 68.942 68.868 0.006 0.000 0.912 643 T HN 0.358 nan 8.240 nan 0.000 0.484 644 L N 4.809 126.027 121.223 -0.009 0.000 2.276 644 L HA 0.385 4.726 4.340 0.002 0.000 0.286 644 L C 1.019 177.880 176.870 -0.015 0.000 1.061 644 L CA -0.420 54.419 54.840 -0.002 0.000 0.807 644 L CB 0.991 43.084 42.059 0.057 0.000 1.177 644 L HN 0.618 nan 8.230 nan 0.000 0.429 645 L N 2.443 123.630 121.223 -0.059 0.000 2.500 645 L HA 0.266 4.607 4.340 0.002 0.000 0.219 645 L C 0.421 177.272 176.870 -0.033 0.000 1.057 645 L CA 0.227 55.016 54.840 -0.086 0.000 0.854 645 L CB 0.129 42.084 42.059 -0.173 0.000 1.078 645 L HN 0.529 nan 8.230 nan 0.000 0.480 646 R N 0.546 121.036 120.500 -0.016 0.000 2.515 646 R HA 0.604 4.945 4.340 0.002 0.000 0.291 646 R C -1.146 175.159 176.300 0.007 0.000 1.046 646 R CA -0.197 55.903 56.100 -0.000 0.000 0.914 646 R CB 1.887 32.223 30.300 0.060 0.000 1.191 646 R HN -0.059 nan 8.270 nan 0.000 0.435 647 A N 2.921 125.801 122.820 0.101 0.000 3.370 647 A HA 0.316 4.637 4.320 0.002 0.000 0.295 647 A C -0.864 176.837 177.584 0.195 0.000 1.030 647 A CA -0.675 51.478 52.037 0.194 0.000 0.883 647 A CB 0.258 19.474 19.000 0.360 0.000 1.191 647 A HN 0.415 nan 8.150 nan 0.000 0.507 648 D N 0.069 120.541 120.400 0.120 0.000 2.253 648 D HA 0.505 5.146 4.640 0.002 0.000 0.249 648 D C 1.219 177.571 176.300 0.088 0.000 1.049 648 D CA 1.162 55.227 54.000 0.109 0.000 0.929 648 D CB 1.432 42.284 40.800 0.086 0.000 1.176 648 D HN 0.907 nan 8.370 nan 0.000 0.437 649 G N 0.796 109.638 108.800 0.070 0.000 2.273 649 G HA2 -0.085 3.876 3.960 0.002 0.000 0.280 649 G HA3 -0.085 3.876 3.960 0.002 0.000 0.280 649 G C 0.977 175.889 174.900 0.019 0.000 1.047 649 G CA 0.680 45.806 45.100 0.044 0.000 0.869 649 G HN 1.226 nan 8.290 nan 0.000 0.502 650 G N -1.615 107.168 108.800 -0.029 0.000 2.160 650 G HA2 0.028 3.989 3.960 0.002 0.000 0.251 650 G HA3 0.028 3.989 3.960 0.002 0.000 0.251 650 G C 0.277 175.185 174.900 0.013 0.000 1.008 650 G CA 1.642 46.665 45.100 -0.129 0.000 0.724 650 G HN 2.109 nan 8.290 nan 0.000 0.514 651 Q N -2.158 117.738 119.800 0.160 0.000 2.707 651 Q HA 0.745 5.086 4.340 0.002 0.000 0.307 651 Q C -1.274 174.896 176.000 0.283 0.000 0.934 651 Q CA -1.090 54.883 55.803 0.283 0.000 0.753 651 Q CB 1.835 30.665 28.738 0.153 0.000 1.478 651 Q HN 0.433 nan 8.270 nan 0.000 0.458 652 V N 1.331 121.355 119.914 0.183 0.000 2.459 652 V HA 0.171 4.292 4.120 0.002 0.000 0.295 652 V C -0.322 175.806 176.094 0.056 0.000 1.029 652 V CA -0.272 62.093 62.300 0.108 0.000 0.874 652 V CB 1.416 33.255 31.823 0.027 0.000 0.985 652 V HN 0.798 nan 8.190 nan 0.000 0.438 653 Q N 2.914 122.613 119.800 -0.168 0.000 2.431 653 Q HA 0.421 4.762 4.340 0.002 0.000 0.244 653 Q C -0.386 175.226 176.000 -0.647 0.000 0.880 653 Q CA 0.275 55.707 55.803 -0.619 0.000 0.954 653 Q CB 0.803 28.687 28.738 -1.423 0.000 1.105 653 Q HN 0.545 nan 8.270 nan 0.000 0.558 654 L N -0.060 120.963 121.223 -0.333 0.000 2.516 654 L HA 0.811 5.152 4.340 0.002 0.000 0.267 654 L C -2.049 174.791 176.870 -0.050 0.000 0.957 654 L CA -0.546 54.190 54.840 -0.173 0.000 0.860 654 L CB 1.867 43.883 42.059 -0.071 0.000 1.265 654 L HN -0.018 nan 8.230 nan 0.000 0.403 655 A N 2.412 125.234 122.820 0.004 0.000 2.574 655 A HA 0.849 5.170 4.320 0.002 0.000 0.297 655 A C -1.144 176.450 177.584 0.016 0.000 1.062 655 A CA -0.339 51.703 52.037 0.008 0.000 0.686 655 A CB 2.025 21.055 19.000 0.050 0.000 1.285 655 A HN 0.600 nan 8.150 nan 0.000 0.403 656 T N 0.402 114.952 114.554 -0.006 0.000 2.909 656 T HA 0.666 5.017 4.350 0.002 0.000 0.299 656 T C -1.422 173.335 174.700 0.095 0.000 1.073 656 T CA -0.478 61.659 62.100 0.062 0.000 0.999 656 T CB 1.133 70.042 68.868 0.068 0.000 1.098 656 T HN 0.861 nan 8.240 nan 0.000 0.477 657 N N 2.450 121.227 118.700 0.129 0.000 2.397 657 N HA 0.377 5.118 4.740 0.002 0.000 0.291 657 N C -1.751 173.850 175.510 0.152 0.000 1.065 657 N CA -0.536 52.589 53.050 0.124 0.000 0.884 657 N CB 1.573 40.120 38.487 0.100 0.000 1.551 657 N HN 0.463 nan 8.380 nan 0.000 0.487 658 D N 1.566 122.056 120.400 0.149 0.000 2.302 658 D HA 0.134 4.775 4.640 0.002 0.000 0.248 658 D C -0.923 175.502 176.300 0.208 0.000 1.094 658 D CA 0.621 54.714 54.000 0.154 0.000 0.897 658 D CB 0.706 41.579 40.800 0.121 0.000 1.200 658 D HN 0.449 nan 8.370 nan 0.000 0.429 659 Y N 1.477 121.799 120.300 0.036 0.000 2.541 659 Y HA 0.393 4.944 4.550 0.002 0.000 0.350 659 Y C 0.767 176.668 175.900 0.001 0.000 1.075 659 Y CA 0.137 58.247 58.100 0.017 0.000 1.302 659 Y CB 0.519 38.989 38.460 0.016 0.000 1.094 659 Y HN 0.660 nan 8.280 nan 0.000 0.579 660 G N 3.846 112.571 108.800 -0.125 0.000 2.591 660 G HA2 -0.383 3.579 3.960 0.002 0.000 0.298 660 G HA3 -0.383 3.579 3.960 0.002 0.000 0.298 660 G C 1.049 175.925 174.900 -0.039 0.000 1.195 660 G CA 0.628 45.660 45.100 -0.113 0.000 0.989 660 G HN 0.555 nan 8.290 nan 0.000 0.551 661 K N 1.315 121.682 120.400 -0.055 0.000 2.296 661 K HA 0.188 4.509 4.320 0.002 0.000 0.200 661 K C 1.670 178.258 176.600 -0.019 0.000 1.048 661 K CA 0.761 56.990 56.287 -0.096 0.000 0.966 661 K CB -0.134 32.283 32.500 -0.139 0.000 0.754 661 K HN 0.647 nan 8.250 nan 0.000 0.466 662 G N 0.451 109.280 108.800 0.047 0.000 2.642 662 G HA2 0.511 4.472 3.960 0.002 0.000 0.291 662 G HA3 0.511 4.472 3.960 0.002 0.000 0.291 662 G C -0.794 174.182 174.900 0.127 0.000 1.345 662 G CA -0.599 44.544 45.100 0.072 0.000 1.043 662 G HN 0.063 nan 8.290 nan 0.000 0.528 663 R N -1.827 118.701 120.500 0.048 0.000 2.808 663 R HA 0.602 4.943 4.340 0.002 0.000 0.272 663 R C -0.508 175.841 176.300 0.082 0.000 0.995 663 R CA -0.731 55.404 56.100 0.058 0.000 0.917 663 R CB 2.410 32.684 30.300 -0.044 0.000 1.217 663 R HN 0.724 nan 8.270 nan 0.000 0.471 664 G N 0.554 109.418 108.800 0.106 0.000 2.452 664 G HA2 0.583 4.544 3.960 0.002 0.000 0.324 664 G HA3 0.583 4.544 3.960 0.002 0.000 0.324 664 G C -1.282 173.702 174.900 0.140 0.000 1.214 664 G CA -0.406 44.774 45.100 0.133 0.000 0.947 664 G HN 0.264 nan 8.290 nan 0.000 0.478 665 V N 1.693 121.691 119.914 0.140 0.000 2.638 665 V HA 0.410 4.531 4.120 0.002 0.000 0.306 665 V C -1.353 174.813 176.094 0.119 0.000 1.052 665 V CA -0.869 61.499 62.300 0.113 0.000 0.885 665 V CB 1.761 33.635 31.823 0.085 0.000 0.999 665 V HN 0.748 nan 8.190 nan 0.000 0.424 666 Y N 5.651 125.948 120.300 -0.004 0.000 2.341 666 Y HA 0.777 5.329 4.550 0.002 0.000 0.337 666 Y C -0.525 175.349 175.900 -0.043 0.000 1.014 666 Y CA -1.012 57.074 58.100 -0.024 0.000 1.111 666 Y CB 1.367 39.822 38.460 -0.008 0.000 1.194 666 Y HN 0.536 nan 8.280 nan 0.000 0.462 667 I N 5.248 125.281 120.570 -0.896 0.000 2.466 667 I HA 0.208 4.379 4.170 0.002 0.000 0.289 667 I C 0.676 176.198 176.117 -0.990 0.000 1.026 667 I CA -0.525 60.345 61.300 -0.717 0.000 1.078 667 I CB 2.360 40.203 38.000 -0.263 0.000 1.249 667 I HN 0.751 nan 8.210 nan 0.000 0.429 668 S N 3.326 118.575 115.700 -0.751 0.000 2.436 668 S HA 0.274 4.745 4.470 0.002 0.000 0.228 668 S C 0.789 175.287 174.600 -0.170 0.000 1.014 668 S CA 0.451 58.435 58.200 -0.359 0.000 0.950 668 S CB 0.156 63.286 63.200 -0.117 0.000 0.784 668 S HN 0.939 nan 8.310 nan 0.000 0.504 669 G N -0.259 108.454 108.800 -0.144 0.000 2.489 669 G HA2 0.512 4.473 3.960 0.002 0.000 0.291 669 G HA3 0.512 4.473 3.960 0.002 0.000 0.291 669 G C -2.174 172.658 174.900 -0.114 0.000 1.487 669 G CA -0.811 44.156 45.100 -0.222 0.000 0.795 669 G HN 0.483 nan 8.290 nan 0.000 0.513 670 L N 1.227 122.312 121.223 -0.229 0.000 2.457 670 L HA 0.465 4.807 4.340 0.002 0.000 0.259 670 L C -2.539 174.233 176.870 -0.164 0.000 1.377 670 L CA -1.159 53.593 54.840 -0.148 0.000 0.887 670 L CB 1.918 43.922 42.059 -0.090 0.000 1.085 670 L HN 0.274 nan 8.230 nan 0.000 0.509 671 P HA -0.043 nan 4.420 nan 0.000 0.266 671 P C -1.193 176.132 177.300 0.041 0.000 1.195 671 P CA 0.252 63.325 63.100 -0.047 0.000 0.768 671 P CB 0.156 31.885 31.700 0.049 0.000 0.838 672 Y N 3.428 123.751 120.300 0.039 0.000 2.544 672 Y HA 0.299 4.850 4.550 0.002 0.000 0.330 672 Y C 0.305 176.216 175.900 0.018 0.000 1.136 672 Y CA 0.843 58.959 58.100 0.026 0.000 1.417 672 Y CB 0.120 38.612 38.460 0.053 0.000 1.229 672 Y HN 0.466 nan 8.280 nan 0.000 0.532 673 S N 3.514 118.716 115.700 -0.830 0.000 2.596 673 S HA 0.682 5.153 4.470 0.002 0.000 0.270 673 S C 0.371 174.499 174.600 -0.788 0.000 1.155 673 S CA -0.595 57.127 58.200 -0.795 0.000 0.827 673 S CB 1.015 64.007 63.200 -0.347 0.000 1.130 673 S HN 1.011 nan 8.310 nan 0.000 0.467 674 A N 1.553 124.065 122.820 -0.513 0.000 1.927 674 A HA 0.092 4.413 4.320 0.002 0.000 0.220 674 A C 2.318 179.785 177.584 -0.194 0.000 1.185 674 A CA 2.577 54.456 52.037 -0.264 0.000 0.639 674 A CB -1.684 17.233 19.000 -0.139 0.000 0.820 674 A HN 1.657 nan 8.150 nan 0.000 0.451 675 A N -0.137 122.565 122.820 -0.196 0.000 1.873 675 A HA -0.170 4.151 4.320 0.002 0.000 0.215 675 A C 1.890 179.378 177.584 -0.160 0.000 1.186 675 A CA 1.788 53.731 52.037 -0.157 0.000 0.616 675 A CB -0.627 18.278 19.000 -0.158 0.000 0.823 675 A HN 0.540 nan 8.150 nan 0.000 0.442 676 N N 0.534 119.115 118.700 -0.199 0.000 2.223 676 N HA -0.066 4.675 4.740 0.002 0.000 0.185 676 N C 1.738 177.196 175.510 -0.088 0.000 1.016 676 N CA 1.422 54.373 53.050 -0.165 0.000 0.863 676 N CB -0.515 37.861 38.487 -0.185 0.000 0.983 676 N HN 0.483 nan 8.380 nan 0.000 0.429 677 A N 0.840 123.608 122.820 -0.088 0.000 1.930 677 A HA -0.090 4.232 4.320 0.002 0.000 0.217 677 A C 2.275 179.884 177.584 0.041 0.000 1.175 677 A CA 1.382 53.436 52.037 0.028 0.000 0.627 677 A CB -0.348 18.717 19.000 0.108 0.000 0.815 677 A HN 0.154 nan 8.150 nan 0.000 0.443 678 R N -0.229 120.273 120.500 0.003 0.000 2.075 678 R HA -0.057 4.284 4.340 0.002 0.000 0.232 678 R C 1.864 178.172 176.300 0.013 0.000 1.126 678 R CA 1.694 57.809 56.100 0.025 0.000 0.963 678 R CB -1.056 29.233 30.300 -0.017 0.000 0.858 678 R HN 0.409 nan 8.270 nan 0.000 0.435 679 L N 0.122 121.326 121.223 -0.032 0.000 1.970 679 L HA -0.132 4.209 4.340 0.002 0.000 0.212 679 L C 2.091 178.979 176.870 0.029 0.000 1.071 679 L CA 1.851 56.672 54.840 -0.032 0.000 0.751 679 L CB -0.877 41.138 42.059 -0.073 0.000 0.889 679 L HN 0.368 nan 8.230 nan 0.000 0.432 680 L N -0.098 121.146 121.223 0.035 0.000 1.990 680 L HA -0.282 4.059 4.340 0.002 0.000 0.213 680 L C 2.511 179.458 176.870 0.127 0.000 1.072 680 L CA 2.345 57.223 54.840 0.063 0.000 0.755 680 L CB -0.942 41.147 42.059 0.050 0.000 0.889 680 L HN 0.565 nan 8.230 nan 0.000 0.432 681 E N -0.733 119.566 120.200 0.165 0.000 2.058 681 E HA -0.286 4.065 4.350 0.002 0.000 0.194 681 E C 2.344 179.204 176.600 0.434 0.000 0.997 681 E CA 1.511 58.087 56.400 0.293 0.000 0.801 681 E CB -0.106 29.780 29.700 0.310 0.000 0.746 681 E HN 0.490 nan 8.360 nan 0.000 0.450 682 R N -0.077 120.599 120.500 0.293 0.000 2.105 682 R HA -0.135 4.206 4.340 0.002 0.000 0.239 682 R C 2.487 179.061 176.300 0.456 0.000 1.135 682 R CA 1.342 57.627 56.100 0.307 0.000 0.967 682 R CB -0.343 29.897 30.300 -0.099 0.000 0.861 682 R HN 0.129 nan 8.270 nan 0.000 0.442 683 V N 1.763 121.843 119.914 0.277 0.000 2.282 683 V HA -0.284 3.837 4.120 0.002 0.000 0.249 683 V C 2.336 178.577 176.094 0.245 0.000 1.057 683 V CA 1.867 64.312 62.300 0.241 0.000 1.032 683 V CB -0.480 31.417 31.823 0.123 0.000 0.645 683 V HN 0.302 nan 8.190 nan 0.000 0.447 684 L N -1.593 119.753 121.223 0.204 0.000 2.017 684 L HA -0.184 4.157 4.340 0.002 0.000 0.208 684 L C 2.440 179.343 176.870 0.054 0.000 1.073 684 L CA 1.813 56.701 54.840 0.081 0.000 0.745 684 L CB -0.704 41.354 42.059 -0.000 0.000 0.894 684 L HN 0.243 nan 8.230 nan 0.000 0.432 685 F N -1.220 118.849 119.950 0.199 0.000 2.146 685 F HA -0.252 4.277 4.527 0.002 0.000 0.298 685 F C 2.564 178.369 175.800 0.008 0.000 1.096 685 F CA 1.580 59.679 58.000 0.166 0.000 1.275 685 F CB -0.597 38.611 39.000 0.346 0.000 1.008 685 F HN -0.040 nan 8.300 nan 0.000 0.480 686 Y N 0.425 120.792 120.300 0.111 0.000 2.200 686 Y HA -0.123 4.428 4.550 0.002 0.000 0.290 686 Y C 2.315 178.128 175.900 -0.146 0.000 1.137 686 Y CA 1.239 59.251 58.100 -0.147 0.000 1.163 686 Y CB -0.553 37.913 38.460 0.009 0.000 0.988 686 Y HN -0.032 nan 8.280 nan 0.000 0.518 687 A N -0.595 122.244 122.820 0.030 0.000 2.014 687 A HA -0.110 4.211 4.320 0.002 0.000 0.218 687 A C 2.148 179.636 177.584 -0.160 0.000 1.163 687 A CA 1.495 53.494 52.037 -0.063 0.000 0.652 687 A CB -1.062 17.979 19.000 0.068 0.000 0.808 687 A HN 0.521 nan 8.150 nan 0.000 0.449 688 S N -1.900 113.731 115.700 -0.115 0.000 2.671 688 S HA 0.063 4.534 4.470 0.002 0.000 0.220 688 S C 0.463 175.044 174.600 -0.032 0.000 0.951 688 S CA 0.286 58.439 58.200 -0.079 0.000 0.932 688 S CB -0.679 62.479 63.200 -0.071 0.000 0.777 688 S HN 0.580 nan 8.310 nan 0.000 0.508 689 H N 0.557 119.500 119.070 -0.212 0.000 2.791 689 H HA -0.141 4.416 4.556 0.002 0.000 0.302 689 H C -0.469 174.771 175.328 -0.147 0.000 1.198 689 H CA 1.081 56.986 56.048 -0.238 0.000 1.145 689 H CB -2.051 27.598 29.762 -0.189 0.000 1.385 689 H HN 0.683 nan 8.280 nan 0.000 0.409 690 N N 0.067 118.758 118.700 -0.015 0.000 2.401 690 N HA 0.046 4.787 4.740 0.002 0.000 0.264 690 N C 1.009 176.622 175.510 0.173 0.000 1.238 690 N CA -0.193 52.926 53.050 0.116 0.000 0.889 690 N CB 0.565 39.156 38.487 0.174 0.000 1.196 690 N HN 0.301 nan 8.380 nan 0.000 0.511 691 E N 0.730 120.870 120.200 -0.099 0.000 2.097 691 E HA -0.251 4.100 4.350 0.002 0.000 0.196 691 E C 1.330 177.941 176.600 0.019 0.000 1.000 691 E CA 1.480 57.723 56.400 -0.262 0.000 0.804 691 E CB -0.040 29.317 29.700 -0.572 0.000 0.740 691 E HN 0.501 nan 8.360 nan 0.000 0.454 692 D N 0.376 120.794 120.400 0.030 0.000 2.350 692 D HA -0.174 4.467 4.640 0.002 0.000 0.216 692 D C 1.478 177.828 176.300 0.085 0.000 0.968 692 D CA 0.886 54.918 54.000 0.054 0.000 0.894 692 D CB -0.076 40.741 40.800 0.028 0.000 0.909 692 D HN 0.140 nan 8.370 nan 0.000 0.520 693 K N -1.332 119.163 120.400 0.158 0.000 2.353 693 K HA -0.008 4.313 4.320 0.002 0.000 0.195 693 K C 1.523 178.179 176.600 0.093 0.000 1.031 693 K CA -0.337 56.065 56.287 0.192 0.000 1.079 693 K CB -0.140 32.544 32.500 0.307 0.000 0.857 693 K HN 0.086 nan 8.250 nan 0.000 0.535 694 Y N 0.733 120.917 120.300 -0.193 0.000 2.145 694 Y HA -0.208 4.343 4.550 0.002 0.000 0.286 694 Y C 1.943 177.592 175.900 -0.417 0.000 1.145 694 Y CA 1.963 59.628 58.100 -0.725 0.000 1.148 694 Y CB -0.315 37.927 38.460 -0.363 0.000 0.981 694 Y HN 0.110 nan 8.280 nan 0.000 0.507 695 A N 1.441 124.107 122.820 -0.256 0.000 1.902 695 A HA 0.073 4.394 4.320 0.002 0.000 0.217 695 A C 1.632 178.979 177.584 -0.394 0.000 1.181 695 A CA 0.771 52.627 52.037 -0.301 0.000 0.623 695 A CB -1.662 17.282 19.000 -0.093 0.000 0.818 695 A HN 0.599 nan 8.150 nan 0.000 0.443 696 A N -1.525 121.083 122.820 -0.354 0.000 2.573 696 A HA 0.246 4.568 4.320 0.002 0.000 0.250 696 A C 0.203 177.530 177.584 -0.429 0.000 1.049 696 A CA 0.569 52.290 52.037 -0.526 0.000 0.767 696 A CB -1.417 17.345 19.000 -0.397 0.000 0.965 696 A HN 1.030 nan 8.150 nan 0.000 0.514 697 W N 0.709 121.832 121.300 -0.295 0.000 5.563 697 W HA -0.204 4.457 4.660 0.002 0.000 0.396 697 W C 0.682 177.028 176.519 -0.288 0.000 1.519 697 W CA 0.563 57.718 57.345 -0.317 0.000 0.953 697 W CB -2.189 27.114 29.460 -0.261 0.000 2.691 697 W HN 1.168 nan 8.180 nan 0.000 1.444 698 S N -1.055 114.518 115.700 -0.211 0.000 2.566 698 S HA 0.799 5.270 4.470 0.002 0.000 0.298 698 S C -0.293 174.210 174.600 -0.161 0.000 1.083 698 S CA -0.410 57.632 58.200 -0.263 0.000 0.978 698 S CB 2.242 65.112 63.200 -0.550 0.000 1.073 698 S HN 0.491 nan 8.310 nan 0.000 0.491 699 S N 1.172 116.804 115.700 -0.113 0.000 2.442 699 S HA 0.392 4.863 4.470 0.002 0.000 0.297 699 S C 1.292 175.871 174.600 -0.035 0.000 1.131 699 S CA -0.075 58.094 58.200 -0.052 0.000 1.092 699 S CB 0.798 63.974 63.200 -0.041 0.000 0.998 699 S HN 1.133 nan 8.310 nan 0.000 0.478 700 S N 4.268 119.961 115.700 -0.010 0.000 2.359 700 S HA -0.145 4.326 4.470 0.002 0.000 0.224 700 S C 0.905 175.507 174.600 0.003 0.000 1.035 700 S CA 0.806 59.008 58.200 0.003 0.000 1.018 700 S CB -0.809 62.397 63.200 0.008 0.000 0.876 700 S HN 0.774 nan 8.310 nan 0.000 0.448 701 N N 3.209 121.912 118.700 0.005 0.000 2.452 701 N HA 0.244 4.985 4.740 0.002 0.000 0.266 701 N C -2.254 173.251 175.510 -0.009 0.000 1.175 701 N CA -2.032 51.017 53.050 -0.001 0.000 0.945 701 N CB 1.282 39.774 38.487 0.009 0.000 1.063 701 N HN 0.032 nan 8.380 nan 0.000 0.472 702 P HA -0.049 nan 4.420 nan 0.000 0.225 702 P C 0.412 177.699 177.300 -0.022 0.000 1.148 702 P CA 0.914 64.002 63.100 -0.021 0.000 0.779 702 P CB 0.367 32.042 31.700 -0.041 0.000 0.780 703 E N -1.454 118.734 120.200 -0.021 0.000 2.482 703 E HA -0.019 4.332 4.350 0.002 0.000 0.196 703 E C 0.344 176.937 176.600 -0.012 0.000 1.047 703 E CA 0.454 56.845 56.400 -0.015 0.000 0.869 703 E CB -0.427 29.266 29.700 -0.011 0.000 0.836 703 E HN 0.277 nan 8.360 nan 0.000 0.520 704 C N 0.584 119.873 119.300 -0.018 0.000 2.614 704 C HA 0.529 4.991 4.460 0.002 0.000 0.320 704 C C 0.318 175.285 174.990 -0.039 0.000 1.200 704 C CA -0.832 58.166 59.018 -0.034 0.000 1.700 704 C CB 1.732 29.446 27.740 -0.044 0.000 2.275 704 C HN 0.181 nan 8.230 nan 0.000 0.492 705 E N 0.187 120.352 120.200 -0.058 0.000 2.312 705 E HA 0.665 5.016 4.350 0.002 0.000 0.267 705 E C -1.443 175.113 176.600 -0.074 0.000 0.894 705 E CA -0.520 55.848 56.400 -0.053 0.000 0.773 705 E CB 2.168 31.845 29.700 -0.038 0.000 1.241 705 E HN 0.401 nan 8.360 nan 0.000 0.432 706 V N 1.206 121.090 119.914 -0.049 0.000 2.513 706 V HA 0.713 4.834 4.120 0.002 0.000 0.299 706 V C -0.643 175.429 176.094 -0.037 0.000 1.035 706 V CA -0.618 61.669 62.300 -0.022 0.000 0.889 706 V CB 1.541 33.372 31.823 0.013 0.000 0.988 706 V HN 0.747 nan 8.190 nan 0.000 0.440 707 A N 3.005 125.797 122.820 -0.047 0.000 2.335 707 A HA 0.595 4.916 4.320 0.002 0.000 0.304 707 A C -0.749 176.674 177.584 -0.270 0.000 1.118 707 A CA -0.521 51.393 52.037 -0.205 0.000 0.757 707 A CB 0.615 19.494 19.000 -0.201 0.000 1.188 707 A HN 0.996 nan 8.150 nan 0.000 0.460 708 H N 2.420 121.129 119.070 -0.602 0.000 2.488 708 H HA 0.553 5.110 4.556 0.002 0.000 0.322 708 H C -1.621 173.252 175.328 -0.759 0.000 1.078 708 H CA -0.582 55.053 56.048 -0.689 0.000 1.260 708 H CB 0.629 29.699 29.762 -1.153 0.000 1.425 708 H HN 0.526 nan 8.280 nan 0.000 0.471 709 F N 7.392 127.125 119.950 -0.362 0.000 2.389 709 F HA 0.233 4.761 4.527 0.002 0.000 0.327 709 F C -1.660 173.884 175.800 -0.425 0.000 1.204 709 F CA -2.028 55.779 58.000 -0.322 0.000 1.209 709 F CB 1.157 40.122 39.000 -0.057 0.000 1.460 709 F HN 0.534 nan 8.300 nan 0.000 0.537 710 P HA -0.224 nan 4.420 nan 0.000 0.216 710 P C 0.990 178.240 177.300 -0.082 0.000 1.150 710 P CA 1.685 64.562 63.100 -0.373 0.000 0.843 710 P CB 0.391 31.882 31.700 -0.349 0.000 0.787 711 E N -0.353 119.812 120.200 -0.057 0.000 2.204 711 E HA -0.141 4.210 4.350 0.002 0.000 0.194 711 E C 1.699 178.307 176.600 0.013 0.000 0.989 711 E CA 0.805 57.202 56.400 -0.005 0.000 0.824 711 E CB -0.222 29.477 29.700 -0.002 0.000 0.756 711 E HN 0.427 nan 8.360 nan 0.000 0.477 712 Q N -0.833 118.984 119.800 0.028 0.000 2.198 712 Q HA 0.195 4.536 4.340 0.002 0.000 0.209 712 Q C 0.867 176.892 176.000 0.042 0.000 0.848 712 Q CA 0.526 56.336 55.803 0.011 0.000 0.974 712 Q CB 0.606 29.313 28.738 -0.051 0.000 1.115 712 Q HN 0.195 nan 8.270 nan 0.000 0.494 713 G N 1.364 110.214 108.800 0.084 0.000 2.249 713 G HA2 -0.229 3.732 3.960 0.002 0.000 0.273 713 G HA3 -0.229 3.732 3.960 0.002 0.000 0.273 713 G C -0.530 174.486 174.900 0.193 0.000 1.036 713 G CA 0.320 45.502 45.100 0.136 0.000 0.824 713 G HN 0.268 nan 8.290 nan 0.000 0.504 714 L N -0.522 120.849 121.223 0.245 0.000 2.333 714 L HA 0.889 5.231 4.340 0.002 0.000 0.263 714 L C 0.018 177.208 176.870 0.534 0.000 1.014 714 L CA -2.237 52.809 54.840 0.343 0.000 0.820 714 L CB 1.830 44.072 42.059 0.305 0.000 1.352 714 L HN 0.404 nan 8.230 nan 0.000 0.421 715 Y N -0.172 120.370 120.300 0.404 0.000 2.581 715 Y HA 0.765 5.316 4.550 0.002 0.000 0.345 715 Y C -0.379 175.650 175.900 0.215 0.000 1.036 715 Y CA -1.588 56.712 58.100 0.333 0.000 1.042 715 Y CB 1.200 39.764 38.460 0.175 0.000 1.289 715 Y HN 0.745 nan 8.280 nan 0.000 0.471 716 C N 1.685 120.989 119.300 0.006 0.000 2.630 716 C HA 0.931 5.392 4.460 0.002 0.000 0.346 716 C C -0.785 174.058 174.990 -0.245 0.000 1.245 716 C CA -1.054 57.623 59.018 -0.568 0.000 1.804 716 C CB 1.250 28.043 27.740 -1.578 0.000 2.279 716 C HN 1.090 nan 8.230 nan 0.000 0.498 717 V N 2.853 122.511 119.914 -0.426 0.000 2.686 717 V HA 0.758 4.880 4.120 0.002 0.000 0.306 717 V C -0.551 175.340 176.094 -0.337 0.000 1.065 717 V CA -0.512 61.578 62.300 -0.349 0.000 0.894 717 V CB 1.628 33.129 31.823 -0.536 0.000 1.004 717 V HN 1.042 nan 8.190 nan 0.000 0.424 718 I N 3.089 123.525 120.570 -0.222 0.000 2.646 718 I HA 0.672 4.844 4.170 0.002 0.000 0.299 718 I C -0.804 175.253 176.117 -0.101 0.000 1.036 718 I CA -0.806 60.399 61.300 -0.159 0.000 1.074 718 I CB 2.212 40.124 38.000 -0.146 0.000 1.258 718 I HN 0.583 nan 8.210 nan 0.000 0.430 719 N N 3.514 122.180 118.700 -0.057 0.000 2.457 719 N HA 0.295 5.036 4.740 0.002 0.000 0.250 719 N C -0.420 175.083 175.510 -0.011 0.000 0.982 719 N CA -0.397 52.639 53.050 -0.022 0.000 0.941 719 N CB 0.724 39.214 38.487 0.005 0.000 1.120 719 N HN 0.751 nan 8.380 nan 0.000 0.505 720 N N 0.930 119.624 118.700 -0.010 0.000 2.449 720 N HA -0.021 4.720 4.740 0.002 0.000 0.191 720 N C -0.111 175.415 175.510 0.028 0.000 1.161 720 N CA 0.223 53.273 53.050 0.001 0.000 0.863 720 N CB 0.332 38.829 38.487 0.017 0.000 0.980 720 N HN 0.669 nan 8.380 nan 0.000 0.458 721 T N -2.291 112.280 114.554 0.029 0.000 2.927 721 T HA 0.202 4.553 4.350 0.002 0.000 0.286 721 T C 0.152 174.880 174.700 0.047 0.000 1.040 721 T CA -0.894 61.228 62.100 0.038 0.000 1.010 721 T CB 1.687 70.570 68.868 0.025 0.000 1.177 721 T HN -0.023 nan 8.240 nan 0.000 0.546 722 D N -0.532 119.897 120.400 0.048 0.000 2.358 722 D HA 0.135 4.776 4.640 0.002 0.000 0.224 722 D C 0.112 176.435 176.300 0.038 0.000 1.123 722 D CA -0.141 53.889 54.000 0.050 0.000 0.833 722 D CB 0.079 40.912 40.800 0.055 0.000 0.946 722 D HN 0.320 nan 8.370 nan 0.000 0.505 723 Q N 0.928 120.748 119.800 0.032 0.000 2.348 723 Q HA 0.416 4.757 4.340 0.002 0.000 0.271 723 Q C -2.585 173.432 176.000 0.029 0.000 1.067 723 Q CA -2.365 53.454 55.803 0.027 0.000 0.839 723 Q CB 1.730 30.480 28.738 0.020 0.000 1.354 723 Q HN 0.083 nan 8.270 nan 0.000 0.447 724 P HA 0.032 nan 4.420 nan 0.000 0.268 724 P C -0.685 176.634 177.300 0.032 0.000 1.205 724 P CA 0.071 63.191 63.100 0.034 0.000 0.771 724 P CB 0.711 32.430 31.700 0.033 0.000 0.858 725 Q N 1.963 121.786 119.800 0.039 0.000 2.304 725 Q HA 0.354 4.695 4.340 0.002 0.000 0.270 725 Q C -0.386 175.648 176.000 0.057 0.000 1.035 725 Q CA -0.608 55.217 55.803 0.037 0.000 0.781 725 Q CB 2.767 31.521 28.738 0.026 0.000 1.261 725 Q HN 0.398 nan 8.270 nan 0.000 0.444 726 K N 0.909 121.342 120.400 0.055 0.000 2.130 726 K HA 0.681 5.002 4.320 0.002 0.000 0.268 726 K C -0.218 176.430 176.600 0.079 0.000 0.983 726 K CA -0.301 56.032 56.287 0.077 0.000 0.893 726 K CB 1.563 34.097 32.500 0.056 0.000 1.066 726 K HN 0.471 nan 8.250 nan 0.000 0.450 727 T N 0.584 115.214 114.554 0.127 0.000 2.942 727 T HA 0.231 4.582 4.350 0.002 0.000 0.327 727 T C -1.442 173.373 174.700 0.191 0.000 1.360 727 T CA -0.610 61.562 62.100 0.120 0.000 1.055 727 T CB 1.497 70.417 68.868 0.087 0.000 1.261 727 T HN 0.437 nan 8.240 nan 0.000 0.485 728 T N 3.167 117.798 114.554 0.128 0.000 2.756 728 T HA 0.521 4.873 4.350 0.002 0.000 0.290 728 T C -0.068 174.707 174.700 0.126 0.000 0.985 728 T CA -0.401 61.776 62.100 0.129 0.000 0.955 728 T CB 0.886 69.783 68.868 0.048 0.000 0.930 728 T HN 0.486 nan 8.240 nan 0.000 0.451 729 V N 4.333 124.388 119.914 0.234 0.000 2.498 729 V HA 0.301 4.422 4.120 0.002 0.000 0.279 729 V C 0.702 176.784 176.094 -0.020 0.000 1.048 729 V CA -0.366 62.009 62.300 0.125 0.000 0.967 729 V CB 1.381 33.368 31.823 0.273 0.000 0.988 729 V HN 0.896 nan 8.190 nan 0.000 0.473 730 T N 6.733 121.192 114.554 -0.159 0.000 2.767 730 T HA 0.592 4.943 4.350 0.002 0.000 0.284 730 T C -0.207 174.173 174.700 -0.533 0.000 0.973 730 T CA -0.295 61.642 62.100 -0.272 0.000 0.996 730 T CB 0.946 69.670 68.868 -0.240 0.000 0.927 730 T HN 0.237 nan 8.240 nan 0.000 0.456 731 L N 1.917 122.764 121.223 -0.627 0.000 2.448 731 L HA 0.555 4.896 4.340 0.002 0.000 0.258 731 L C 1.877 178.007 176.870 -1.234 0.000 1.104 731 L CA -0.192 53.941 54.840 -1.178 0.000 0.800 731 L CB 0.057 41.698 42.059 -0.696 0.000 1.241 731 L HN 0.725 nan 8.230 nan 0.000 0.472 732 A N 0.435 122.260 122.820 -1.658 0.000 1.908 732 A HA -0.189 4.132 4.320 0.002 0.000 0.218 732 A C 1.499 178.843 177.584 -0.400 0.000 1.181 732 A CA 1.749 53.276 52.037 -0.849 0.000 0.627 732 A CB -0.853 17.968 19.000 -0.299 0.000 0.818 732 A HN 0.907 nan 8.150 nan 0.000 0.445 733 D N -1.800 118.419 120.400 -0.303 0.000 2.363 733 D HA 0.233 4.875 4.640 0.002 0.000 0.226 733 D C 1.173 177.379 176.300 -0.157 0.000 1.020 733 D CA 1.049 54.955 54.000 -0.157 0.000 0.892 733 D CB -0.718 40.034 40.800 -0.080 0.000 0.900 733 D HN 0.874 nan 8.370 nan 0.000 0.531 734 G N -0.512 108.152 108.800 -0.226 0.000 2.176 734 G HA2 -0.289 3.672 3.960 0.002 0.000 0.253 734 G HA3 -0.289 3.672 3.960 0.002 0.000 0.253 734 G C 0.468 175.281 174.900 -0.147 0.000 0.979 734 G CA 0.508 45.504 45.100 -0.174 0.000 0.641 734 G HN 0.734 nan 8.290 nan 0.000 0.530 735 T N 0.761 115.225 114.554 -0.150 0.000 2.802 735 T HA 0.571 4.923 4.350 0.002 0.000 0.305 735 T C 0.733 175.361 174.700 -0.120 0.000 1.053 735 T CA 1.546 63.583 62.100 -0.105 0.000 1.058 735 T CB 0.825 69.653 68.868 -0.067 0.000 0.988 735 T HN 1.406 nan 8.240 nan 0.000 0.539 736 T N 0.752 115.266 114.554 -0.068 0.000 2.903 736 T HA 0.659 5.010 4.350 0.002 0.000 0.299 736 T C -1.062 173.632 174.700 -0.009 0.000 1.093 736 T CA -0.980 61.093 62.100 -0.046 0.000 1.002 736 T CB 1.910 70.753 68.868 -0.041 0.000 1.127 736 T HN 0.738 nan 8.240 nan 0.000 0.488 737 E N 0.596 120.816 120.200 0.032 0.000 2.293 737 E HA 0.436 4.788 4.350 0.002 0.000 0.270 737 E C -1.482 175.045 176.600 -0.122 0.000 0.879 737 E CA -0.764 55.595 56.400 -0.069 0.000 0.756 737 E CB 1.502 31.139 29.700 -0.106 0.000 1.208 737 E HN 0.645 nan 8.360 nan 0.000 0.428 738 D N 2.694 122.952 120.400 -0.237 0.000 2.210 738 D HA 0.341 4.982 4.640 0.002 0.000 0.249 738 D C -0.896 175.173 176.300 -0.386 0.000 1.062 738 D CA 0.217 54.125 54.000 -0.154 0.000 0.891 738 D CB 0.600 41.353 40.800 -0.078 0.000 1.186 738 D HN 0.226 nan 8.370 nan 0.000 0.432 739 F N 0.296 120.270 119.950 0.040 0.000 2.577 739 F HA 0.250 4.778 4.527 0.002 0.000 0.318 739 F C 0.296 176.114 175.800 0.030 0.000 1.065 739 F CA -0.952 57.072 58.000 0.040 0.000 0.929 739 F CB 1.873 40.901 39.000 0.047 0.000 1.237 739 F HN 0.004 nan 8.300 nan 0.000 0.468 740 D N 3.178 123.708 120.400 0.215 0.000 2.454 740 D HA 0.352 4.994 4.640 0.002 0.000 0.247 740 D C -1.191 175.195 176.300 0.144 0.000 1.129 740 D CA -0.121 53.962 54.000 0.140 0.000 0.877 740 D CB 0.857 41.708 40.800 0.083 0.000 1.082 740 D HN 0.404 nan 8.370 nan 0.000 0.537 741 L N 5.072 126.368 121.223 0.123 0.000 2.264 741 L HA 0.409 4.750 4.340 0.002 0.000 0.289 741 L C -1.950 174.962 176.870 0.070 0.000 1.044 741 L CA -1.720 53.175 54.840 0.092 0.000 0.807 741 L CB 1.500 43.588 42.059 0.048 0.000 1.192 741 L HN 0.158 nan 8.230 nan 0.000 0.425 742 P HA -0.042 nan 4.420 nan 0.000 0.271 742 P C -0.666 176.667 177.300 0.055 0.000 1.244 742 P CA -0.495 62.640 63.100 0.058 0.000 0.793 742 P CB 0.357 32.093 31.700 0.060 0.000 0.984 743 D N 1.178 121.605 120.400 0.045 0.000 3.988 743 D HA -0.171 4.470 4.640 0.002 0.000 0.201 743 D C -0.165 176.175 176.300 0.067 0.000 1.147 743 D CA 1.381 55.408 54.000 0.046 0.000 0.749 743 D CB -0.714 40.104 40.800 0.030 0.000 1.190 743 D HN 0.392 nan 8.370 nan 0.000 0.621 744 S N 0.837 116.585 115.700 0.080 0.000 3.445 744 S HA -0.150 4.321 4.470 0.002 0.000 0.319 744 S C 0.802 175.496 174.600 0.156 0.000 1.209 744 S CA 0.684 58.957 58.200 0.121 0.000 0.934 744 S CB -1.815 61.493 63.200 0.180 0.000 0.999 744 S HN 0.864 nan 8.310 nan 0.000 0.582 745 G N -0.034 108.832 108.800 0.109 0.000 2.547 745 G HA2 0.723 4.684 3.960 0.002 0.000 0.291 745 G HA3 0.723 4.684 3.960 0.002 0.000 0.291 745 G C -0.516 174.420 174.900 0.060 0.000 1.211 745 G CA -0.568 44.606 45.100 0.122 0.000 0.950 745 G HN 0.592 nan 8.290 nan 0.000 0.504 746 I N -0.569 120.031 120.570 0.051 0.000 2.656 746 I HA 0.664 4.835 4.170 0.002 0.000 0.292 746 I C -0.617 175.452 176.117 -0.080 0.000 1.144 746 I CA -0.965 60.290 61.300 -0.075 0.000 1.038 746 I CB 2.035 40.001 38.000 -0.057 0.000 1.244 746 I HN 0.703 nan 8.210 nan 0.000 0.420 747 A N 6.037 128.716 122.820 -0.236 0.000 2.386 747 A HA 0.764 5.085 4.320 0.002 0.000 0.311 747 A C -2.197 175.188 177.584 -0.332 0.000 1.068 747 A CA -0.375 51.587 52.037 -0.126 0.000 0.743 747 A CB 0.890 19.904 19.000 0.023 0.000 1.258 747 A HN 0.733 nan 8.150 nan 0.000 0.429 748 W N 1.464 122.734 121.300 -0.050 0.000 2.666 748 W HA 0.754 5.415 4.660 0.002 0.000 0.334 748 W C 0.195 176.622 176.519 -0.152 0.000 1.051 748 W CA -0.337 56.934 57.345 -0.124 0.000 1.224 748 W CB 1.787 31.201 29.460 -0.077 0.000 1.405 748 W HN 0.526 nan 8.180 nan 0.000 0.513 749 R N 1.395 121.844 120.500 -0.086 0.000 2.740 749 R HA 0.275 4.616 4.340 0.002 0.000 0.273 749 R C -0.018 176.276 176.300 -0.010 0.000 0.998 749 R CA -1.226 54.805 56.100 -0.115 0.000 0.900 749 R CB 1.639 31.764 30.300 -0.292 0.000 1.223 749 R HN 0.640 nan 8.270 nan 0.000 0.466 750 E N 0.000 120.265 120.200 0.108 0.000 2.725 750 E HA 0.000 4.351 4.350 0.002 0.000 0.291 750 E CA 0.000 56.508 56.400 0.180 0.000 0.976 750 E CB 0.000 29.795 29.700 0.159 0.000 0.812 750 E HN 0.000 nan 8.360 nan 0.000 0.440