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 1xpq_1_B DATA FIRST_RESID 8 DATA SEQUENCE KKKVIIIGAG IAGLKAASTL HQNGIQDCLV LEARDRVGGR LQTVTGYQGR DATA SEQUENCE KYDIGASWHH DTLTNPLFLE EAQLSLNDGR TRFVFDDDNF IYIDEERGRV DATA SEQUENCE DHDKELLLEI VDNEMSKFAE LEFHQHLGVS DCSFFQLVMK YLLQRRQFLT DATA SEQUENCE NDQIRYLPQL CRYLELWHGL DWKLLSAKDT YFGHQGRNAF ALNYDSVVQR DATA SEQUENCE IAQSFPQNWL KLScEVKSIT REPSKNVTVN cEDGTVYNAD YVIITVPQSV DATA SEQUENCE LNLSVQPEKN LRGRIEFQPP LKPVIQDAFD KIHFGALGKV IFEFEECCWS DATA SEQUENCE NESSKIVTLA NSTNEFVEIV RNAENLDELD SMLERXXXXX XTSVTCWSQP DATA SEQUENCE LFFVNLSKST GVASFMMLMQ APLTNHIESI REDKERLFSF FQPVLNKIMK DATA SEQUENCE CLDSEDVIDG MRPIENIANA NKPVLRNIIV SNWTRDPYSR GAYSACFPXX DATA SEQUENCE XXVDMVVAMS NGQDSRIRFA GEHTIMDGAG CAYGAWESGR REATRISDLL DATA SEQUENCE KL 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.607 176.600 0.012 0.000 0.988 8 K CA 0.000 56.311 56.287 0.040 0.000 0.838 8 K CB 0.000 32.558 32.500 0.097 0.000 1.064 9 K N 2.321 122.717 120.400 -0.007 0.000 2.110 9 K HA 0.334 2.748 4.320 -3.176 0.000 0.263 9 K C 0.466 177.017 176.600 -0.082 0.000 0.975 9 K CA -0.333 55.902 56.287 -0.085 0.000 0.895 9 K CB 1.399 33.797 32.500 -0.170 0.000 1.060 9 K HN 0.118 nan 8.250 nan 0.000 0.448 10 K N 0.534 120.866 120.400 -0.114 0.000 1.980 10 K HA 0.052 2.467 4.320 -3.176 0.000 0.208 10 K C 0.668 177.239 176.600 -0.049 0.000 1.043 10 K CA 1.009 57.257 56.287 -0.065 0.000 0.938 10 K CB 0.041 32.483 32.500 -0.096 0.000 0.724 10 K HN 0.315 nan 8.250 nan 0.000 0.438 11 V N 1.595 121.409 119.914 -0.167 0.000 2.656 11 V HA 0.407 2.621 4.120 -3.176 0.000 0.307 11 V C -0.325 175.622 176.094 -0.245 0.000 1.051 11 V CA -0.733 61.477 62.300 -0.152 0.000 0.893 11 V CB 2.282 33.988 31.823 -0.196 0.000 0.999 11 V HN 0.090 nan 8.190 nan 0.000 0.426 12 I N 4.970 125.431 120.570 -0.181 0.000 2.418 12 I HA 0.497 2.761 4.170 -3.176 0.000 0.287 12 I C -0.834 175.183 176.117 -0.167 0.000 1.008 12 I CA -0.389 60.777 61.300 -0.224 0.000 1.104 12 I CB 1.873 39.745 38.000 -0.213 0.000 1.264 12 I HN 0.465 nan 8.210 nan 0.000 0.438 13 I N 7.264 127.726 120.570 -0.179 0.000 2.336 13 I HA 0.390 2.654 4.170 -3.176 0.000 0.292 13 I C -0.174 175.890 176.117 -0.088 0.000 0.991 13 I CA -0.495 60.731 61.300 -0.123 0.000 1.227 13 I CB 1.380 39.301 38.000 -0.130 0.000 1.366 13 I HN 0.336 nan 8.210 nan 0.000 0.466 14 I N 5.667 126.208 120.570 -0.048 0.000 2.331 14 I HA 0.553 2.817 4.170 -3.176 0.000 0.292 14 I C 0.662 176.789 176.117 0.017 0.000 0.998 14 I CA -0.235 61.055 61.300 -0.017 0.000 1.267 14 I CB 1.128 39.132 38.000 0.007 0.000 1.386 14 I HN 0.815 nan 8.210 nan 0.000 0.476 15 G N 4.388 113.194 108.800 0.011 0.000 2.879 15 G HA2 0.070 2.125 3.960 -3.176 0.000 0.686 15 G HA3 0.070 2.125 3.960 -3.176 0.000 0.686 15 G C -0.298 174.629 174.900 0.045 0.000 1.115 15 G CA -0.292 44.828 45.100 0.033 0.000 0.770 15 G HN 1.018 nan 8.290 nan 0.000 0.601 16 A N 1.816 124.672 122.820 0.060 0.000 2.793 16 A HA 0.786 3.200 4.320 -3.176 0.000 0.301 16 A C 1.384 179.038 177.584 0.116 0.000 1.172 16 A CA 1.118 53.212 52.037 0.095 0.000 0.973 16 A CB -0.218 18.845 19.000 0.106 0.000 1.164 16 A HN 2.205 nan 8.150 nan 0.000 0.542 17 G N -0.682 108.186 108.800 0.112 0.000 2.516 17 G HA2 0.324 2.378 3.960 -3.176 0.000 0.276 17 G HA3 0.324 2.378 3.960 -3.176 0.000 0.276 17 G C 1.028 176.011 174.900 0.138 0.000 1.390 17 G CA -0.086 45.087 45.100 0.121 0.000 1.050 17 G HN 0.398 nan 8.290 nan 0.000 0.519 18 I N -0.203 120.452 120.570 0.143 0.000 2.493 18 I HA -0.096 2.169 4.170 -3.176 0.000 0.254 18 I C 2.763 179.000 176.117 0.200 0.000 1.160 18 I CA 1.493 62.916 61.300 0.204 0.000 1.445 18 I CB -0.078 38.057 38.000 0.225 0.000 1.086 18 I HN 0.460 nan 8.210 nan 0.000 0.433 19 A N 0.725 123.633 122.820 0.147 0.000 1.845 19 A HA -0.159 2.256 4.320 -3.176 0.000 0.215 19 A C 2.358 179.978 177.584 0.060 0.000 1.195 19 A CA 1.825 53.922 52.037 0.100 0.000 0.616 19 A CB -1.657 17.399 19.000 0.092 0.000 0.832 19 A HN 0.479 nan 8.150 nan 0.000 0.443 20 G N -0.729 108.111 108.800 0.068 0.000 2.443 20 G HA2 -0.062 1.992 3.960 -3.176 0.000 0.219 20 G HA3 -0.062 1.992 3.960 -3.176 0.000 0.219 20 G C 1.530 176.449 174.900 0.033 0.000 1.131 20 G CA 0.941 46.059 45.100 0.031 0.000 0.775 20 G HN 0.412 nan 8.290 nan 0.000 0.547 21 L N -0.335 120.960 121.223 0.119 0.000 2.072 21 L HA 0.055 2.490 4.340 -3.176 0.000 0.205 21 L C 2.845 179.827 176.870 0.187 0.000 1.079 21 L CA 0.800 55.776 54.840 0.226 0.000 0.752 21 L CB -0.207 42.023 42.059 0.285 0.000 0.906 21 L HN 0.029 nan 8.230 nan 0.000 0.436 22 K N 0.500 120.959 120.400 0.098 0.000 2.155 22 K HA -0.041 2.373 4.320 -3.176 0.000 0.203 22 K C 2.035 178.586 176.600 -0.080 0.000 1.052 22 K CA 1.299 57.562 56.287 -0.040 0.000 0.948 22 K CB -0.127 32.163 32.500 -0.349 0.000 0.728 22 K HN 0.240 nan 8.250 nan 0.000 0.448 23 A N 0.785 123.564 122.820 -0.069 0.000 1.902 23 A HA -0.081 2.334 4.320 -3.176 0.000 0.217 23 A C 2.325 179.867 177.584 -0.071 0.000 1.181 23 A CA 2.072 54.059 52.037 -0.084 0.000 0.623 23 A CB -0.595 18.358 19.000 -0.077 0.000 0.818 23 A HN 0.322 nan 8.150 nan 0.000 0.443 24 A N -1.138 121.611 122.820 -0.119 0.000 1.968 24 A HA -0.003 2.412 4.320 -3.176 0.000 0.217 24 A C 2.419 180.032 177.584 0.048 0.000 1.169 24 A CA 1.866 53.798 52.037 -0.175 0.000 0.638 24 A CB -0.788 17.671 19.000 -0.903 0.000 0.812 24 A HN 0.522 nan 8.150 nan 0.000 0.446 25 S N -0.706 115.061 115.700 0.111 0.000 2.368 25 S HA -0.141 2.424 4.470 -3.176 0.000 0.225 25 S C 2.078 176.767 174.600 0.148 0.000 1.030 25 S CA 2.265 60.601 58.200 0.225 0.000 0.999 25 S CB -0.502 62.823 63.200 0.208 0.000 0.844 25 S HN 0.615 nan 8.310 nan 0.000 0.459 26 T N 3.019 117.601 114.554 0.047 0.000 2.737 26 T HA 0.045 2.489 4.350 -3.176 0.000 0.265 26 T C 1.783 176.507 174.700 0.041 0.000 1.038 26 T CA 1.401 63.503 62.100 0.003 0.000 1.144 26 T CB -0.494 68.328 68.868 -0.077 0.000 0.866 26 T HN 0.302 nan 8.240 nan 0.000 0.434 27 L N 0.307 121.570 121.223 0.067 0.000 1.997 27 L HA -0.246 2.189 4.340 -3.176 0.000 0.216 27 L C 2.589 179.578 176.870 0.197 0.000 1.074 27 L CA 2.092 56.992 54.840 0.100 0.000 0.763 27 L CB -0.726 41.397 42.059 0.108 0.000 0.890 27 L HN 0.363 nan 8.230 nan 0.000 0.434 28 H N -0.160 119.054 119.070 0.240 0.000 2.319 28 H HA -0.250 2.400 4.556 -3.176 0.000 0.299 28 H C 2.320 177.688 175.328 0.067 0.000 1.092 28 H CA 2.185 58.323 56.048 0.151 0.000 1.302 28 H CB -0.073 29.654 29.762 -0.058 0.000 1.373 28 H HN 0.290 nan 8.280 nan 0.000 0.497 29 Q N -0.188 119.611 119.800 -0.003 0.000 2.234 29 Q HA -0.144 2.290 4.340 -3.176 0.000 0.206 29 Q C 0.935 176.881 176.000 -0.091 0.000 0.980 29 Q CA 1.419 57.188 55.803 -0.057 0.000 0.869 29 Q CB 0.054 28.807 28.738 0.025 0.000 0.912 29 Q HN 0.561 nan 8.270 nan 0.000 0.436 30 N N -0.992 117.672 118.700 -0.060 0.000 2.322 30 N HA 0.044 2.879 4.740 -3.176 0.000 0.194 30 N C 0.642 176.116 175.510 -0.061 0.000 1.126 30 N CA 0.876 53.894 53.050 -0.054 0.000 0.845 30 N CB 1.063 39.526 38.487 -0.040 0.000 0.976 30 N HN 0.452 nan 8.380 nan 0.000 0.475 31 G N 0.652 109.392 108.800 -0.101 0.000 2.179 31 G HA2 -0.243 1.812 3.960 -3.176 0.000 0.260 31 G HA3 -0.243 1.812 3.960 -3.176 0.000 0.260 31 G C 0.166 175.070 174.900 0.007 0.000 0.977 31 G CA -0.311 44.746 45.100 -0.072 0.000 0.641 31 G HN 0.225 nan 8.290 nan 0.000 0.533 32 I N 1.363 121.956 120.570 0.040 0.000 2.588 32 I HA 0.278 2.542 4.170 -3.176 0.000 0.283 32 I C 0.930 177.160 176.117 0.188 0.000 1.119 32 I CA 0.412 61.749 61.300 0.061 0.000 1.419 32 I CB 0.686 38.688 38.000 0.004 0.000 1.394 32 I HN 0.358 nan 8.210 nan 0.000 0.562 33 Q N 3.225 123.110 119.800 0.142 0.000 2.712 33 Q HA 0.292 2.727 4.340 -3.176 0.000 0.267 33 Q C -0.772 175.241 176.000 0.021 0.000 1.062 33 Q CA -0.897 55.058 55.803 0.254 0.000 0.888 33 Q CB 1.150 30.013 28.738 0.208 0.000 1.374 33 Q HN 0.500 nan 8.270 nan 0.000 0.498 34 D N 0.223 120.648 120.400 0.042 0.000 2.904 34 D HA -0.163 2.572 4.640 -3.176 0.000 0.231 34 D C -1.172 174.809 176.300 -0.531 0.000 1.185 34 D CA 0.591 54.485 54.000 -0.176 0.000 0.783 34 D CB -1.247 39.509 40.800 -0.073 0.000 0.961 34 D HN 0.353 nan 8.370 nan 0.000 0.409 35 C N 0.808 119.360 119.300 -1.247 0.000 2.707 35 C HA 0.794 3.348 4.460 -3.176 0.000 0.313 35 C C 0.561 174.869 174.990 -1.137 0.000 1.209 35 C CA -0.769 57.482 59.018 -1.278 0.000 1.635 35 C CB 2.106 28.859 27.740 -1.646 0.000 2.206 35 C HN 0.398 nan 8.230 nan 0.000 0.485 36 L N 1.366 122.201 121.223 -0.648 0.000 2.333 36 L HA 0.826 3.261 4.340 -3.176 0.000 0.263 36 L C -1.056 175.643 176.870 -0.285 0.000 1.014 36 L CA -0.690 53.907 54.840 -0.405 0.000 0.820 36 L CB 2.022 43.794 42.059 -0.478 0.000 1.352 36 L HN 0.327 nan 8.230 nan 0.000 0.421 37 V N 3.284 123.112 119.914 -0.142 0.000 2.445 37 V HA 0.331 2.546 4.120 -3.176 0.000 0.283 37 V C -0.410 175.661 176.094 -0.039 0.000 1.014 37 V CA -0.327 61.923 62.300 -0.083 0.000 0.852 37 V CB 1.673 33.488 31.823 -0.014 0.000 1.021 37 V HN 0.454 nan 8.190 nan 0.000 0.435 38 L N 4.005 125.187 121.223 -0.068 0.000 2.255 38 L HA 0.654 3.089 4.340 -3.176 0.000 0.289 38 L C -0.021 176.832 176.870 -0.029 0.000 1.046 38 L CA -0.266 54.550 54.840 -0.041 0.000 0.816 38 L CB 1.187 43.216 42.059 -0.050 0.000 1.197 38 L HN 0.552 nan 8.230 nan 0.000 0.427 39 E N 2.417 122.604 120.200 -0.022 0.000 2.171 39 E HA 0.489 2.933 4.350 -3.176 0.000 0.271 39 E C 0.301 176.828 176.600 -0.122 0.000 0.916 39 E CA -0.380 55.988 56.400 -0.053 0.000 0.774 39 E CB 2.079 31.773 29.700 -0.009 0.000 1.128 39 E HN 0.538 nan 8.360 nan 0.000 0.403 40 A N 5.452 128.112 122.820 -0.266 0.000 2.014 40 A HA 0.028 2.443 4.320 -3.176 0.000 0.218 40 A C 0.987 178.308 177.584 -0.439 0.000 1.163 40 A CA 0.808 52.557 52.037 -0.481 0.000 0.652 40 A CB -0.106 18.257 19.000 -1.062 0.000 0.808 40 A HN 0.559 nan 8.150 nan 0.000 0.449 41 R N -0.215 120.102 120.500 -0.305 0.000 2.549 41 R HA 0.293 2.727 4.340 -3.176 0.000 0.259 41 R C -0.139 176.140 176.300 -0.035 0.000 1.095 41 R CA 0.102 56.141 56.100 -0.102 0.000 1.148 41 R CB 0.161 30.449 30.300 -0.020 0.000 1.181 41 R HN 0.385 nan 8.270 nan 0.000 0.571 42 D N -0.281 120.121 120.400 0.005 0.000 2.325 42 D HA -0.001 2.734 4.640 -3.176 0.000 0.225 42 D C 0.047 176.357 176.300 0.018 0.000 1.096 42 D CA -0.039 53.968 54.000 0.012 0.000 0.844 42 D CB 0.085 40.895 40.800 0.017 0.000 0.925 42 D HN 0.397 nan 8.370 nan 0.000 0.513 43 R N -1.053 119.460 120.500 0.023 0.000 2.817 43 R HA 0.655 3.090 4.340 -3.176 0.000 0.268 43 R C -0.529 175.801 176.300 0.050 0.000 1.027 43 R CA -1.130 54.990 56.100 0.034 0.000 0.928 43 R CB 1.143 31.464 30.300 0.035 0.000 1.228 43 R HN -0.086 nan 8.270 nan 0.000 0.469 44 V N -2.251 117.700 119.914 0.061 0.000 3.336 44 V HA 0.805 3.020 4.120 -3.176 0.000 0.314 44 V C 1.040 177.191 176.094 0.096 0.000 1.088 44 V CA 0.231 62.582 62.300 0.085 0.000 1.033 44 V CB 0.673 32.551 31.823 0.091 0.000 1.181 44 V HN 1.163 nan 8.190 nan 0.000 0.449 45 G N -1.175 107.693 108.800 0.114 0.000 2.258 45 G HA2 0.010 2.064 3.960 -3.176 0.000 0.233 45 G HA3 0.010 2.064 3.960 -3.176 0.000 0.233 45 G C 1.644 176.623 174.900 0.131 0.000 1.006 45 G CA 0.841 46.012 45.100 0.117 0.000 0.620 45 G HN 2.593 nan 8.290 nan 0.000 0.511 46 G N 0.514 109.404 108.800 0.151 0.000 2.692 46 G HA2 -0.443 1.611 3.960 -3.176 0.000 0.339 46 G HA3 -0.443 1.611 3.960 -3.176 0.000 0.339 46 G C 0.904 175.985 174.900 0.301 0.000 1.226 46 G CA 1.501 46.718 45.100 0.195 0.000 0.979 46 G HN 1.207 nan 8.290 nan 0.000 0.549 47 R N 0.264 120.865 120.500 0.167 0.000 2.340 47 R HA 0.303 2.737 4.340 -3.176 0.000 0.215 47 R C 0.180 176.443 176.300 -0.062 0.000 1.017 47 R CA 0.029 56.089 56.100 -0.068 0.000 1.111 47 R CB -0.397 29.723 30.300 -0.301 0.000 1.049 47 R HN 0.323 nan 8.270 nan 0.000 0.490 48 L N 1.091 122.370 121.223 0.094 0.000 2.324 48 L HA 0.336 2.771 4.340 -3.176 0.000 0.274 48 L C -0.627 176.341 176.870 0.163 0.000 1.012 48 L CA -0.274 54.585 54.840 0.031 0.000 0.859 48 L CB 1.613 43.645 42.059 -0.047 0.000 1.224 48 L HN 0.013 nan 8.230 nan 0.000 0.429 49 Q N 2.189 122.124 119.800 0.226 0.000 2.294 49 Q HA 0.364 2.799 4.340 -3.176 0.000 0.264 49 Q C -1.218 174.871 176.000 0.149 0.000 0.992 49 Q CA -0.451 55.469 55.803 0.194 0.000 0.747 49 Q CB 2.308 31.176 28.738 0.216 0.000 1.262 49 Q HN 0.457 nan 8.270 nan 0.000 0.452 50 T N 3.144 117.757 114.554 0.099 0.000 2.733 50 T HA 0.377 2.821 4.350 -3.176 0.000 0.294 50 T C 0.075 174.815 174.700 0.066 0.000 0.956 50 T CA -0.442 61.703 62.100 0.075 0.000 0.987 50 T CB 0.667 69.555 68.868 0.035 0.000 0.920 50 T HN 0.461 nan 8.240 nan 0.000 0.470 51 V N 1.806 121.779 119.914 0.098 0.000 2.966 51 V HA 0.816 3.030 4.120 -3.176 0.000 0.317 51 V C -0.051 176.106 176.094 0.104 0.000 1.070 51 V CA -0.627 61.728 62.300 0.092 0.000 1.008 51 V CB 1.835 33.717 31.823 0.099 0.000 1.070 51 V HN 0.714 nan 8.190 nan 0.000 0.457 52 T N 2.714 117.316 114.554 0.080 0.000 2.792 52 T HA 0.762 3.207 4.350 -3.176 0.000 0.280 52 T C 0.357 175.130 174.700 0.121 0.000 0.990 52 T CA 0.386 62.528 62.100 0.069 0.000 0.960 52 T CB 1.138 70.016 68.868 0.016 0.000 0.939 52 T HN 1.285 nan 8.240 nan 0.000 0.439 53 G N 1.038 109.960 108.800 0.203 0.000 3.247 53 G HA2 0.406 2.461 3.960 -3.176 0.000 0.163 53 G HA3 0.406 2.461 3.960 -3.176 0.000 0.163 53 G C -0.740 174.275 174.900 0.192 0.000 1.206 53 G CA -0.637 44.591 45.100 0.213 0.000 0.918 53 G HN 0.632 nan 8.290 nan 0.000 0.625 54 Y N 1.653 122.007 120.300 0.089 0.000 2.805 54 Y HA 0.118 2.762 4.550 -3.176 0.000 0.331 54 Y C 0.933 176.865 175.900 0.053 0.000 1.241 54 Y CA 0.559 58.691 58.100 0.054 0.000 1.546 54 Y CB 0.215 38.702 38.460 0.044 0.000 1.248 54 Y HN 0.491 nan 8.280 nan 0.000 0.559 55 Q N 4.319 123.834 119.800 -0.475 0.000 2.453 55 Q HA -0.227 2.208 4.340 -3.176 0.000 0.294 55 Q C 1.081 176.945 176.000 -0.226 0.000 1.295 55 Q CA 1.299 56.812 55.803 -0.484 0.000 0.853 55 Q CB -1.939 26.285 28.738 -0.856 0.000 1.193 55 Q HN 1.482 nan 8.270 nan 0.000 0.461 56 G N -0.169 108.557 108.800 -0.122 0.000 2.168 56 G HA2 -0.382 1.673 3.960 -3.176 0.000 0.257 56 G HA3 -0.382 1.673 3.960 -3.176 0.000 0.257 56 G C 0.335 175.174 174.900 -0.100 0.000 0.997 56 G CA 0.803 45.850 45.100 -0.088 0.000 0.708 56 G HN 0.436 nan 8.290 nan 0.000 0.520 57 R N -0.338 120.106 120.500 -0.093 0.000 2.679 57 R HA 0.553 2.988 4.340 -3.176 0.000 0.269 57 R C 0.234 176.311 176.300 -0.372 0.000 1.076 57 R CA 0.166 56.139 56.100 -0.213 0.000 1.160 57 R CB 0.536 30.762 30.300 -0.123 0.000 1.054 57 R HN 0.260 nan 8.270 nan 0.000 0.507 58 K N 1.418 121.463 120.400 -0.591 0.000 2.371 58 K HA 0.391 2.806 4.320 -3.176 0.000 0.251 58 K C -1.549 174.613 176.600 -0.731 0.000 0.934 58 K CA -0.565 55.434 56.287 -0.479 0.000 0.798 58 K CB 1.797 34.166 32.500 -0.218 0.000 1.204 58 K HN 0.397 nan 8.250 nan 0.000 0.427 59 Y N 0.183 120.502 120.300 0.032 0.000 2.457 59 Y HA 0.185 2.828 4.550 -3.177 0.000 0.343 59 Y C -0.435 175.483 175.900 0.030 0.000 0.994 59 Y CA -1.160 56.965 58.100 0.042 0.000 1.031 59 Y CB 1.591 40.077 38.460 0.043 0.000 1.246 59 Y HN 0.465 nan 8.280 nan 0.000 0.449 60 D N 3.232 123.718 120.400 0.144 0.000 2.508 60 D HA 0.061 2.796 4.640 -3.176 0.000 0.224 60 D C 0.997 177.382 176.300 0.141 0.000 1.171 60 D CA 0.391 54.447 54.000 0.092 0.000 1.006 60 D CB 0.648 41.443 40.800 -0.008 0.000 1.073 60 D HN 0.563 nan 8.370 nan 0.000 0.513 61 I N 1.361 122.045 120.570 0.191 0.000 2.850 61 I HA -0.078 2.187 4.170 -3.176 0.000 0.266 61 I C 1.482 177.831 176.117 0.386 0.000 1.257 61 I CA 0.708 62.144 61.300 0.226 0.000 1.465 61 I CB -0.008 38.092 38.000 0.167 0.000 1.091 61 I HN 0.251 nan 8.210 nan 0.000 0.467 62 G N -0.918 108.082 108.800 0.333 0.000 3.075 62 G HA2 0.567 2.622 3.960 -3.176 0.000 0.156 62 G HA3 0.567 2.622 3.960 -3.176 0.000 0.156 62 G C -0.180 174.712 174.900 -0.013 0.000 1.403 62 G CA 0.014 45.250 45.100 0.227 0.000 1.033 62 G HN 0.413 nan 8.290 nan 0.000 0.589 63 A N -1.027 121.689 122.820 -0.175 0.000 2.520 63 A HA 0.469 2.883 4.320 -3.176 0.000 0.235 63 A C 1.121 178.641 177.584 -0.106 0.000 1.065 63 A CA 1.118 53.021 52.037 -0.223 0.000 0.764 63 A CB 0.762 19.434 19.000 -0.547 0.000 1.002 63 A HN 0.942 nan 8.150 nan 0.000 0.502 64 S N 0.596 116.299 115.700 0.006 0.000 2.648 64 S HA 0.233 2.798 4.470 -3.176 0.000 0.270 64 S C -0.124 174.225 174.600 -0.418 0.000 1.082 64 S CA -0.283 57.792 58.200 -0.209 0.000 1.116 64 S CB 0.098 63.013 63.200 -0.474 0.000 1.040 64 S HN 0.701 nan 8.310 nan 0.000 0.572 65 W N 1.871 123.119 121.300 -0.087 0.000 2.799 65 W HA 0.492 3.257 4.660 -3.158 0.000 0.349 65 W C -0.647 175.595 176.519 -0.461 0.000 1.100 65 W CA -0.608 56.547 57.345 -0.317 0.000 1.174 65 W CB 0.517 29.840 29.460 -0.229 0.000 1.427 65 W HN 0.148 nan 8.180 nan 0.000 0.547 66 H N 2.060 121.071 119.070 -0.098 0.000 2.641 66 H HA 0.210 2.859 4.556 -3.178 0.000 0.295 66 H C 0.369 175.567 175.328 -0.216 0.000 1.070 66 H CA -0.015 55.925 56.048 -0.181 0.000 1.257 66 H CB 0.308 29.856 29.762 -0.357 0.000 1.393 66 H HN 0.159 nan 8.280 nan 0.000 0.464 67 H N 1.699 120.880 119.070 0.185 0.000 2.509 67 H HA 0.018 2.693 4.556 -3.135 0.000 0.359 67 H C 0.411 175.756 175.328 0.027 0.000 1.253 67 H CA -0.319 55.792 56.048 0.106 0.000 1.373 67 H CB 0.727 30.635 29.762 0.243 0.000 1.555 67 H HN 0.579 nan 8.280 nan 0.000 0.586 68 D N 0.089 120.603 120.400 0.191 0.000 2.686 68 D HA -0.162 2.573 4.640 -3.176 0.000 0.235 68 D C 1.160 177.396 176.300 -0.107 0.000 1.160 68 D CA 1.142 55.188 54.000 0.078 0.000 0.645 68 D CB -1.867 39.003 40.800 0.116 0.000 1.039 68 D HN 0.767 nan 8.370 nan 0.000 0.423 69 T N -3.113 111.325 114.554 -0.192 0.000 2.996 69 T HA -0.125 2.320 4.350 -3.176 0.000 0.271 69 T C 2.036 176.704 174.700 -0.052 0.000 1.126 69 T CA 0.645 62.511 62.100 -0.389 0.000 1.103 69 T CB -0.040 68.382 68.868 -0.743 0.000 0.870 69 T HN 0.449 nan 8.240 nan 0.000 0.528 70 L N 1.294 122.514 121.223 -0.005 0.000 2.179 70 L HA 0.059 2.493 4.340 -3.176 0.000 0.208 70 L C 3.077 179.967 176.870 0.032 0.000 1.096 70 L CA 1.507 56.373 54.840 0.043 0.000 0.779 70 L CB -0.506 41.574 42.059 0.036 0.000 0.922 70 L HN 0.553 nan 8.230 nan 0.000 0.443 71 T N -5.343 109.204 114.554 -0.011 0.000 2.987 71 T HA -0.020 2.424 4.350 -3.176 0.000 0.248 71 T C 0.897 175.532 174.700 -0.108 0.000 0.997 71 T CA -0.315 61.769 62.100 -0.026 0.000 1.013 71 T CB -0.591 68.275 68.868 -0.003 0.000 1.077 71 T HN 0.165 nan 8.240 nan 0.000 0.483 72 N N 4.523 123.055 118.700 -0.280 0.000 2.202 72 N HA -0.030 2.804 4.740 -3.176 0.000 0.283 72 N C -1.056 174.283 175.510 -0.286 0.000 1.391 72 N CA -0.646 52.042 53.050 -0.604 0.000 0.910 72 N CB 0.792 38.869 38.487 -0.683 0.000 1.267 72 N HN 0.249 nan 8.380 nan 0.000 0.493 73 P HA -0.232 nan 4.420 nan 0.000 0.215 73 P C 1.502 178.625 177.300 -0.295 0.000 1.157 73 P CA 0.834 63.892 63.100 -0.070 0.000 0.868 73 P CB 0.111 31.924 31.700 0.188 0.000 0.788 74 L N -0.548 120.364 121.223 -0.517 0.000 1.990 74 L HA -0.159 2.276 4.340 -3.176 0.000 0.213 74 L C 2.594 179.152 176.870 -0.519 0.000 1.072 74 L CA 1.818 56.152 54.840 -0.843 0.000 0.755 74 L CB -1.953 39.665 42.059 -0.735 0.000 0.889 74 L HN -0.161 nan 8.230 nan 0.000 0.432 75 F N -0.025 119.575 119.950 -0.584 0.000 2.091 75 F HA -0.259 2.367 4.527 -3.169 0.000 0.299 75 F C 2.097 177.618 175.800 -0.465 0.000 1.103 75 F CA 2.082 59.625 58.000 -0.762 0.000 1.228 75 F CB -0.590 37.986 39.000 -0.707 0.000 0.984 75 F HN 0.110 nan 8.300 nan 0.000 0.477 76 L N -0.035 120.886 121.223 -0.504 0.000 2.079 76 L HA -0.239 2.196 4.340 -3.176 0.000 0.210 76 L C 2.483 179.138 176.870 -0.358 0.000 1.081 76 L CA 2.069 56.649 54.840 -0.433 0.000 0.752 76 L CB -1.225 40.735 42.059 -0.165 0.000 0.896 76 L HN 0.299 nan 8.230 nan 0.000 0.433 77 E N 0.425 120.445 120.200 -0.299 0.000 2.051 77 E HA -0.223 2.222 4.350 -3.176 0.000 0.192 77 E C 2.124 178.605 176.600 -0.198 0.000 0.991 77 E CA 1.132 57.422 56.400 -0.184 0.000 0.799 77 E CB 0.144 29.756 29.700 -0.147 0.000 0.748 77 E HN 0.370 nan 8.360 nan 0.000 0.449 78 E N 0.148 120.178 120.200 -0.282 0.000 2.160 78 E HA -0.202 2.242 4.350 -3.176 0.000 0.195 78 E C 1.906 178.447 176.600 -0.098 0.000 0.991 78 E CA 0.987 57.288 56.400 -0.165 0.000 0.810 78 E CB -0.209 29.403 29.700 -0.147 0.000 0.742 78 E HN 0.383 nan 8.360 nan 0.000 0.466 79 A N 1.291 123.938 122.820 -0.287 0.000 1.873 79 A HA -0.175 2.240 4.320 -3.176 0.000 0.215 79 A C 2.142 179.674 177.584 -0.087 0.000 1.186 79 A CA 1.051 52.999 52.037 -0.147 0.000 0.616 79 A CB -0.355 18.393 19.000 -0.420 0.000 0.823 79 A HN 0.073 nan 8.150 nan 0.000 0.442 80 Q N -0.258 119.474 119.800 -0.114 0.000 2.181 80 Q HA -0.132 2.302 4.340 -3.176 0.000 0.205 80 Q C 2.093 178.064 176.000 -0.048 0.000 0.980 80 Q CA 1.167 56.932 55.803 -0.063 0.000 0.862 80 Q CB -0.423 28.282 28.738 -0.054 0.000 0.905 80 Q HN 0.744 nan 8.270 nan 0.000 0.429 81 L N -0.342 120.847 121.223 -0.056 0.000 2.027 81 L HA -0.158 2.277 4.340 -3.176 0.000 0.206 81 L C 2.382 179.217 176.870 -0.059 0.000 1.074 81 L CA 1.080 55.891 54.840 -0.048 0.000 0.745 81 L CB -0.418 41.612 42.059 -0.048 0.000 0.898 81 L HN 0.076 nan 8.230 nan 0.000 0.433 82 S N 0.097 115.750 115.700 -0.077 0.000 2.399 82 S HA -0.167 2.398 4.470 -3.176 0.000 0.231 82 S C 1.819 176.383 174.600 -0.060 0.000 1.022 82 S CA 1.033 59.171 58.200 -0.104 0.000 0.983 82 S CB -0.305 62.783 63.200 -0.187 0.000 0.803 82 S HN 0.226 nan 8.310 nan 0.000 0.480 83 L N 2.150 123.352 121.223 -0.034 0.000 2.201 83 L HA -0.029 2.406 4.340 -3.176 0.000 0.212 83 L C 1.481 178.338 176.870 -0.021 0.000 1.105 83 L CA 1.443 56.273 54.840 -0.018 0.000 0.775 83 L CB -0.519 41.534 42.059 -0.010 0.000 0.913 83 L HN 0.178 nan 8.230 nan 0.000 0.440 84 N N -0.130 118.553 118.700 -0.028 0.000 2.324 84 N HA -0.087 2.748 4.740 -3.176 0.000 0.192 84 N C 1.284 176.778 175.510 -0.028 0.000 1.046 84 N CA 1.368 54.404 53.050 -0.024 0.000 0.898 84 N CB -0.643 37.831 38.487 -0.022 0.000 1.079 84 N HN 0.493 nan 8.380 nan 0.000 0.456 85 D N -0.603 119.776 120.400 -0.035 0.000 2.363 85 D HA 0.116 2.850 4.640 -3.176 0.000 0.220 85 D C 1.269 177.543 176.300 -0.044 0.000 0.994 85 D CA 0.919 54.896 54.000 -0.038 0.000 0.890 85 D CB -0.239 40.537 40.800 -0.040 0.000 0.906 85 D HN 0.384 nan 8.370 nan 0.000 0.530 86 G N 0.134 108.904 108.800 -0.050 0.000 2.353 86 G HA2 -0.407 1.647 3.960 -3.176 0.000 0.258 86 G HA3 -0.407 1.647 3.960 -3.176 0.000 0.258 86 G C 0.580 175.436 174.900 -0.074 0.000 1.013 86 G CA 0.266 45.333 45.100 -0.054 0.000 0.622 86 G HN 0.484 nan 8.290 nan 0.000 0.535 87 R N 0.855 121.306 120.500 -0.082 0.000 2.758 87 R HA 0.314 2.749 4.340 -3.176 0.000 0.263 87 R C -0.021 176.189 176.300 -0.149 0.000 1.010 87 R CA 1.047 57.089 56.100 -0.097 0.000 1.114 87 R CB 0.060 30.306 30.300 -0.090 0.000 0.985 87 R HN 0.226 nan 8.270 nan 0.000 0.439 88 T N 3.465 117.928 114.554 -0.151 0.000 2.747 88 T HA 0.209 2.654 4.350 -3.176 0.000 0.301 88 T C 1.039 175.580 174.700 -0.266 0.000 0.952 88 T CA -0.389 61.578 62.100 -0.221 0.000 0.983 88 T CB 0.823 69.611 68.868 -0.134 0.000 0.930 88 T HN 0.435 nan 8.240 nan 0.000 0.494 89 R N 1.642 121.869 120.500 -0.455 0.000 2.223 89 R HA 0.241 2.675 4.340 -3.176 0.000 0.198 89 R C -0.036 176.114 176.300 -0.250 0.000 0.984 89 R CA 0.603 56.497 56.100 -0.344 0.000 1.018 89 R CB 0.244 30.373 30.300 -0.286 0.000 0.945 89 R HN 0.662 nan 8.270 nan 0.000 0.479 90 F N -3.576 116.373 119.950 -0.002 0.000 2.779 90 F HA 0.631 3.255 4.527 -3.171 0.000 0.316 90 F C -1.226 174.606 175.800 0.054 0.000 1.164 90 F CA -1.780 56.215 58.000 -0.008 0.000 0.924 90 F CB 1.020 40.044 39.000 0.040 0.000 1.348 90 F HN -0.344 nan 8.300 nan 0.000 0.467 91 V N 0.991 121.135 119.914 0.384 0.000 2.971 91 V HA 0.617 2.831 4.120 -3.176 0.000 0.309 91 V C -1.795 174.460 176.094 0.268 0.000 1.130 91 V CA -0.952 61.563 62.300 0.357 0.000 0.964 91 V CB 2.173 34.160 31.823 0.273 0.000 1.029 91 V HN 0.673 nan 8.190 nan 0.000 0.427 92 F N 5.375 125.516 119.950 0.319 0.000 2.405 92 F HA 0.371 2.991 4.527 -3.178 0.000 0.358 92 F C 1.144 177.075 175.800 0.218 0.000 1.151 92 F CA -0.526 57.621 58.000 0.245 0.000 1.161 92 F CB 0.849 39.953 39.000 0.174 0.000 1.245 92 F HN 0.708 nan 8.300 nan 0.000 0.545 93 D N -0.105 120.502 120.400 0.345 0.000 2.340 93 D HA -0.018 2.717 4.640 -3.176 0.000 0.217 93 D C -0.126 176.313 176.300 0.232 0.000 1.081 93 D CA -0.134 54.027 54.000 0.269 0.000 0.842 93 D CB -0.374 40.573 40.800 0.244 0.000 0.934 93 D HN 0.216 nan 8.370 nan 0.000 0.511 94 D N 1.207 121.754 120.400 0.245 0.000 2.488 94 D HA 0.163 2.897 4.640 -3.176 0.000 0.238 94 D C -0.082 176.324 176.300 0.177 0.000 1.138 94 D CA 0.876 55.000 54.000 0.207 0.000 0.873 94 D CB 1.176 42.094 40.800 0.196 0.000 1.183 94 D HN 0.184 nan 8.370 nan 0.000 0.458 95 D N 0.427 120.931 120.400 0.174 0.000 2.677 95 D HA 0.123 2.858 4.640 -3.176 0.000 0.298 95 D C -1.085 175.314 176.300 0.166 0.000 1.250 95 D CA -0.566 53.505 54.000 0.120 0.000 0.888 95 D CB 1.246 42.076 40.800 0.050 0.000 1.397 95 D HN 0.059 nan 8.370 nan 0.000 0.461 96 N N 1.230 119.992 118.700 0.103 0.000 2.402 96 N HA 0.161 2.996 4.740 -3.176 0.000 0.252 96 N C -0.202 175.391 175.510 0.138 0.000 1.118 96 N CA -0.096 53.029 53.050 0.124 0.000 0.945 96 N CB -0.056 38.446 38.487 0.025 0.000 1.147 96 N HN 0.197 nan 8.380 nan 0.000 0.495 97 F N 1.460 121.351 119.950 -0.099 0.000 2.646 97 F HA -0.021 2.603 4.527 -3.171 0.000 0.363 97 F C 1.403 177.073 175.800 -0.217 0.000 1.143 97 F CA 0.299 58.146 58.000 -0.254 0.000 1.356 97 F CB 0.343 39.001 39.000 -0.570 0.000 1.055 97 F HN 0.286 nan 8.300 nan 0.000 0.606 98 I N 4.813 125.269 120.570 -0.191 0.000 2.460 98 I HA 0.130 2.394 4.170 -3.176 0.000 0.277 98 I C -0.982 175.070 176.117 -0.108 0.000 1.057 98 I CA -0.612 60.635 61.300 -0.089 0.000 1.179 98 I CB 0.224 38.158 38.000 -0.110 0.000 1.329 98 I HN 0.392 nan 8.210 nan 0.000 0.478 99 Y N 6.297 126.649 120.300 0.086 0.000 2.359 99 Y HA 0.419 3.060 4.550 -3.182 0.000 0.334 99 Y C 0.383 176.299 175.900 0.025 0.000 1.058 99 Y CA -0.159 57.991 58.100 0.084 0.000 1.244 99 Y CB 0.860 39.379 38.460 0.098 0.000 1.187 99 Y HN 0.343 nan 8.280 nan 0.000 0.510 100 I N 3.202 123.877 120.570 0.174 0.000 2.436 100 I HA 0.204 2.468 4.170 -3.176 0.000 0.289 100 I C -0.968 175.237 176.117 0.146 0.000 1.010 100 I CA -0.713 60.648 61.300 0.102 0.000 1.098 100 I CB 1.856 39.885 38.000 0.048 0.000 1.266 100 I HN 0.572 nan 8.210 nan 0.000 0.434 101 D N 4.404 124.813 120.400 0.016 0.000 2.193 101 D HA 0.113 2.847 4.640 -3.176 0.000 0.244 101 D C 1.071 177.262 176.300 -0.181 0.000 1.064 101 D CA -0.366 53.603 54.000 -0.051 0.000 0.845 101 D CB 1.573 42.237 40.800 -0.227 0.000 1.148 101 D HN 0.625 nan 8.370 nan 0.000 0.464 102 E N 2.570 122.446 120.200 -0.540 0.000 2.065 102 E HA -0.330 2.115 4.350 -3.176 0.000 0.201 102 E C 0.948 177.289 176.600 -0.431 0.000 1.016 102 E CA 1.695 57.538 56.400 -0.928 0.000 0.818 102 E CB 0.226 28.789 29.700 -1.896 0.000 0.749 102 E HN 0.680 nan 8.360 nan 0.000 0.453 103 E N -0.439 119.580 120.200 -0.301 0.000 2.051 103 E HA -0.093 2.352 4.350 -3.176 0.000 0.189 103 E C 2.318 178.860 176.600 -0.097 0.000 0.979 103 E CA 0.549 56.855 56.400 -0.157 0.000 0.803 103 E CB -0.017 29.634 29.700 -0.081 0.000 0.761 103 E HN 0.113 nan 8.360 nan 0.000 0.451 104 R N -0.268 120.173 120.500 -0.097 0.000 2.127 104 R HA 0.008 2.443 4.340 -3.176 0.000 0.217 104 R C 0.877 177.118 176.300 -0.097 0.000 1.074 104 R CA 0.997 57.038 56.100 -0.098 0.000 0.991 104 R CB 0.233 30.421 30.300 -0.187 0.000 0.895 104 R HN 0.248 nan 8.270 nan 0.000 0.450 105 G N 0.491 109.229 108.800 -0.103 0.000 2.513 105 G HA2 -0.267 1.787 3.960 -3.176 0.000 0.227 105 G HA3 -0.267 1.787 3.960 -3.176 0.000 0.227 105 G C -0.982 173.887 174.900 -0.051 0.000 1.176 105 G CA -0.332 44.732 45.100 -0.060 0.000 0.967 105 G HN 0.303 nan 8.290 nan 0.000 0.587 106 R N 1.366 121.851 120.500 -0.026 0.000 2.351 106 R HA 0.318 2.753 4.340 -3.176 0.000 0.321 106 R C 1.496 177.793 176.300 -0.005 0.000 1.182 106 R CA 0.496 56.598 56.100 0.004 0.000 1.011 106 R CB 0.460 30.773 30.300 0.023 0.000 1.048 106 R HN 0.937 nan 8.270 nan 0.000 0.490 107 V N -0.898 119.000 119.914 -0.027 0.000 3.563 107 V HA 0.000 2.215 4.120 -3.176 0.000 0.299 107 V C 0.550 176.664 176.094 0.034 0.000 1.290 107 V CA -0.151 62.107 62.300 -0.070 0.000 1.201 107 V CB -0.825 30.854 31.823 -0.240 0.000 1.045 107 V HN 0.519 nan 8.190 nan 0.000 0.425 108 D N -0.280 120.198 120.400 0.130 0.000 2.253 108 D HA 0.108 2.842 4.640 -3.176 0.000 0.249 108 D C 0.526 176.960 176.300 0.223 0.000 1.049 108 D CA -0.438 53.697 54.000 0.225 0.000 0.929 108 D CB 0.678 41.674 40.800 0.327 0.000 1.176 108 D HN 0.371 nan 8.370 nan 0.000 0.437 109 H N -0.467 118.662 119.070 0.099 0.000 2.636 109 H HA -0.228 2.422 4.556 -3.177 0.000 0.312 109 H C -0.811 174.547 175.328 0.049 0.000 1.106 109 H CA 0.944 57.035 56.048 0.071 0.000 1.139 109 H CB -1.168 28.638 29.762 0.074 0.000 1.423 109 H HN 0.468 nan 8.280 nan 0.000 0.407 110 D N 0.568 120.964 120.400 -0.007 0.000 2.350 110 D HA 0.041 2.776 4.640 -3.176 0.000 0.249 110 D C 1.360 177.606 176.300 -0.090 0.000 1.119 110 D CA 0.324 54.298 54.000 -0.043 0.000 0.886 110 D CB 0.731 41.528 40.800 -0.004 0.000 1.195 110 D HN 0.748 nan 8.370 nan 0.000 0.437 111 K N 2.521 122.868 120.400 -0.088 0.000 2.211 111 K HA -0.105 2.310 4.320 -3.176 0.000 0.203 111 K C 0.980 177.560 176.600 -0.035 0.000 1.050 111 K CA 1.155 57.396 56.287 -0.077 0.000 0.945 111 K CB 0.223 32.689 32.500 -0.058 0.000 0.732 111 K HN 0.418 nan 8.250 nan 0.000 0.451 112 E N 0.671 120.862 120.200 -0.014 0.000 2.244 112 E HA 0.100 2.544 4.350 -3.176 0.000 0.196 112 E C 2.033 178.646 176.600 0.022 0.000 0.939 112 E CA 0.063 56.467 56.400 0.007 0.000 0.884 112 E CB 0.143 29.852 29.700 0.014 0.000 0.850 112 E HN 0.158 nan 8.360 nan 0.000 0.481 113 L N 0.808 122.045 121.223 0.024 0.000 2.131 113 L HA 0.040 2.475 4.340 -3.176 0.000 0.206 113 L C 0.709 177.602 176.870 0.038 0.000 1.087 113 L CA 0.318 55.185 54.840 0.046 0.000 0.767 113 L CB -0.273 41.814 42.059 0.047 0.000 0.917 113 L HN 0.167 nan 8.230 nan 0.000 0.441 114 L N 0.808 122.040 121.223 0.016 0.000 3.965 114 L HA -0.283 2.152 4.340 -3.176 0.000 0.499 114 L C 1.258 178.149 176.870 0.034 0.000 1.194 114 L CA -0.187 54.663 54.840 0.018 0.000 0.707 114 L CB -1.378 40.693 42.059 0.019 0.000 1.414 114 L HN 0.347 nan 8.230 nan 0.000 0.802 115 L N -0.421 120.817 121.223 0.025 0.000 2.044 115 L HA -0.153 2.282 4.340 -3.176 0.000 0.205 115 L C 2.267 179.139 176.870 0.004 0.000 1.075 115 L CA 1.545 56.391 54.840 0.011 0.000 0.747 115 L CB -0.130 41.901 42.059 -0.047 0.000 0.903 115 L HN 0.434 nan 8.230 nan 0.000 0.435 116 E N 0.699 120.903 120.200 0.007 0.000 2.130 116 E HA -0.219 2.225 4.350 -3.176 0.000 0.196 116 E C 2.090 178.714 176.600 0.039 0.000 0.998 116 E CA 1.265 57.679 56.400 0.024 0.000 0.806 116 E CB -0.292 29.449 29.700 0.069 0.000 0.738 116 E HN 0.410 nan 8.360 nan 0.000 0.459 117 I N 0.401 120.997 120.570 0.045 0.000 2.099 117 I HA -0.271 1.993 4.170 -3.176 0.000 0.239 117 I C 2.418 178.564 176.117 0.048 0.000 1.066 117 I CA 1.448 62.776 61.300 0.045 0.000 1.324 117 I CB -0.558 37.468 38.000 0.044 0.000 1.037 117 I HN 0.132 nan 8.210 nan 0.000 0.401 118 V N -1.143 118.808 119.914 0.062 0.000 2.490 118 V HA -0.273 1.941 4.120 -3.176 0.000 0.250 118 V C 2.058 178.167 176.094 0.026 0.000 1.061 118 V CA 2.249 64.603 62.300 0.089 0.000 1.064 118 V CB -0.896 31.011 31.823 0.141 0.000 0.670 118 V HN 0.450 nan 8.190 nan 0.000 0.461 119 D N 1.682 122.097 120.400 0.025 0.000 2.106 119 D HA -0.305 2.430 4.640 -3.176 0.000 0.191 119 D C 2.004 178.305 176.300 0.002 0.000 0.997 119 D CA 2.367 56.382 54.000 0.025 0.000 0.834 119 D CB -0.508 40.331 40.800 0.065 0.000 0.956 119 D HN 0.632 nan 8.370 nan 0.000 0.448 120 N N -0.167 118.543 118.700 0.017 0.000 2.104 120 N HA -0.232 2.603 4.740 -3.176 0.000 0.190 120 N C 1.747 177.237 175.510 -0.032 0.000 1.024 120 N CA 1.605 54.659 53.050 0.006 0.000 0.853 120 N CB -0.200 38.299 38.487 0.020 0.000 1.008 120 N HN 0.370 nan 8.380 nan 0.000 0.424 121 E N -0.458 119.732 120.200 -0.018 0.000 2.118 121 E HA -0.232 2.212 4.350 -3.176 0.000 0.195 121 E C 1.887 178.429 176.600 -0.096 0.000 0.992 121 E CA 0.877 57.285 56.400 0.013 0.000 0.804 121 E CB -0.112 29.662 29.700 0.124 0.000 0.741 121 E HN 0.397 nan 8.360 nan 0.000 0.458 122 M N 0.555 119.938 119.600 -0.362 0.000 2.358 122 M HA -0.114 2.461 4.480 -3.176 0.000 0.264 122 M C 2.290 178.362 176.300 -0.380 0.000 1.064 122 M CA 1.191 56.059 55.300 -0.720 0.000 1.093 122 M CB -0.363 31.791 32.600 -0.743 0.000 1.401 122 M HN 0.163 nan 8.290 nan 0.000 0.440 123 S N -0.053 115.470 115.700 -0.295 0.000 2.356 123 S HA -0.067 2.497 4.470 -3.176 0.000 0.219 123 S C 1.891 176.282 174.600 -0.348 0.000 1.036 123 S CA 0.728 58.646 58.200 -0.471 0.000 0.965 123 S CB 0.063 63.164 63.200 -0.166 0.000 0.864 123 S HN 0.319 nan 8.310 nan 0.000 0.471 124 K N 0.731 121.033 120.400 -0.163 0.000 2.063 124 K HA -0.093 2.321 4.320 -3.176 0.000 0.208 124 K C 1.840 178.376 176.600 -0.107 0.000 1.048 124 K CA 1.351 57.568 56.287 -0.117 0.000 0.928 124 K CB -0.915 31.556 32.500 -0.048 0.000 0.713 124 K HN 0.561 nan 8.250 nan 0.000 0.442 125 F N 1.513 121.352 119.950 -0.185 0.000 2.120 125 F HA -0.296 2.322 4.527 -3.182 0.000 0.300 125 F C 2.049 177.709 175.800 -0.232 0.000 1.095 125 F CA 1.886 59.809 58.000 -0.130 0.000 1.249 125 F CB -0.267 38.711 39.000 -0.037 0.000 0.995 125 F HN 0.025 nan 8.300 nan 0.000 0.480 126 A N -0.250 122.378 122.820 -0.320 0.000 1.930 126 A HA -0.145 2.270 4.320 -3.176 0.000 0.215 126 A C 2.217 179.570 177.584 -0.384 0.000 1.176 126 A CA 1.269 52.999 52.037 -0.511 0.000 0.632 126 A CB -0.962 17.647 19.000 -0.653 0.000 0.819 126 A HN 0.582 nan 8.150 nan 0.000 0.445 127 E N -0.128 119.898 120.200 -0.291 0.000 2.160 127 E HA -0.166 2.279 4.350 -3.176 0.000 0.195 127 E C 1.745 178.223 176.600 -0.203 0.000 0.991 127 E CA 1.106 57.398 56.400 -0.181 0.000 0.810 127 E CB -0.135 29.446 29.700 -0.199 0.000 0.742 127 E HN 0.653 nan 8.360 nan 0.000 0.466 128 L N -0.054 121.027 121.223 -0.237 0.000 2.121 128 L HA -0.028 2.406 4.340 -3.176 0.000 0.200 128 L C 2.576 179.422 176.870 -0.041 0.000 1.077 128 L CA 0.875 55.660 54.840 -0.091 0.000 0.766 128 L CB -0.404 41.580 42.059 -0.125 0.000 0.931 128 L HN 0.082 nan 8.230 nan 0.000 0.452 129 E N 0.301 120.238 120.200 -0.438 0.000 2.253 129 E HA -0.247 2.197 4.350 -3.176 0.000 0.202 129 E C 1.556 177.982 176.600 -0.289 0.000 1.014 129 E CA 1.857 57.904 56.400 -0.590 0.000 0.823 129 E CB -0.060 28.990 29.700 -1.084 0.000 0.736 129 E HN 0.421 nan 8.360 nan 0.000 0.478 130 F N -0.683 119.256 119.950 -0.018 0.000 2.414 130 F HA 0.070 2.683 4.527 -3.191 0.000 0.255 130 F C 1.035 176.923 175.800 0.148 0.000 1.032 130 F CA -0.170 57.863 58.000 0.055 0.000 1.049 130 F CB -0.751 38.273 39.000 0.041 0.000 1.140 130 F HN 0.045 nan 8.300 nan 0.000 0.643 131 H N 3.528 122.738 119.070 0.234 0.000 3.185 131 H HA -0.197 2.452 4.556 -3.177 0.000 0.292 131 H C -0.457 174.930 175.328 0.099 0.000 0.923 131 H CA 0.507 56.628 56.048 0.121 0.000 1.364 131 H CB -0.490 29.316 29.762 0.072 0.000 1.243 131 H HN 0.532 nan 8.280 nan 0.000 0.570 132 Q N 2.653 122.292 119.800 -0.269 0.000 2.397 132 Q HA -0.253 2.182 4.340 -3.176 0.000 0.362 132 Q C -0.241 175.554 176.000 -0.342 0.000 1.324 132 Q CA 1.203 56.782 55.803 -0.375 0.000 1.063 132 Q CB -0.942 27.442 28.738 -0.589 0.000 1.185 132 Q HN 0.929 nan 8.270 nan 0.000 0.305 133 H N -1.318 117.692 119.070 -0.101 0.000 1.804 133 H HA -0.023 2.626 4.556 -3.178 0.000 0.116 133 H C 1.376 176.700 175.328 -0.006 0.000 0.914 133 H CA 0.507 56.526 56.048 -0.049 0.000 0.419 133 H CB 0.045 29.789 29.762 -0.029 0.000 0.319 133 H HN 0.265 nan 8.280 nan 0.000 0.215 134 L N 0.372 121.677 121.223 0.137 0.000 3.876 134 L HA -0.339 2.096 4.340 -3.176 0.000 0.053 134 L C 1.645 178.570 176.870 0.092 0.000 3.951 134 L CA 2.981 57.872 54.840 0.084 0.000 1.114 134 L CB -1.936 40.143 42.059 0.033 0.000 3.271 134 L HN 0.782 nan 8.230 nan 0.000 0.765 135 G N -1.278 107.562 108.800 0.066 0.000 2.305 135 G HA2 -0.130 1.925 3.960 -3.176 0.000 0.287 135 G HA3 -0.130 1.925 3.960 -3.176 0.000 0.287 135 G C 0.634 175.562 174.900 0.047 0.000 1.036 135 G CA 1.083 46.216 45.100 0.055 0.000 0.887 135 G HN 1.355 nan 8.290 nan 0.000 0.505 136 V N -1.760 118.174 119.914 0.033 0.000 5.175 136 V HA -0.340 1.874 4.120 -3.176 0.000 0.279 136 V C 2.230 178.349 176.094 0.043 0.000 0.571 136 V CA 2.430 64.745 62.300 0.025 0.000 0.694 136 V CB -2.562 29.275 31.823 0.022 0.000 0.525 136 V HN 2.078 nan 8.190 nan 0.000 1.093 137 S N -0.922 114.817 115.700 0.065 0.000 2.373 137 S HA 0.294 2.859 4.470 -3.176 0.000 0.219 137 S C 0.443 175.098 174.600 0.092 0.000 1.377 137 S CA 0.730 59.018 58.200 0.146 0.000 1.021 137 S CB 0.089 63.469 63.200 0.299 0.000 0.777 137 S HN 1.586 nan 8.310 nan 0.000 0.463 138 D N -1.382 119.090 120.400 0.121 0.000 9.066 138 D HA -0.113 2.622 4.640 -3.176 0.000 0.283 138 D C -0.451 175.945 176.300 0.161 0.000 2.521 138 D CA 0.899 54.897 54.000 -0.003 0.000 2.314 138 D CB -1.290 39.405 40.800 -0.174 0.000 0.974 138 D HN 1.124 nan 8.370 nan 0.000 0.694 139 C N 1.794 121.250 119.300 0.260 0.000 3.285 139 C HA 0.907 3.461 4.460 -3.176 0.000 0.320 139 C C 0.561 175.679 174.990 0.213 0.000 1.411 139 C CA -0.319 58.818 59.018 0.199 0.000 1.429 139 C CB 1.073 28.922 27.740 0.181 0.000 1.812 139 C HN 0.979 nan 8.230 nan 0.000 0.454 140 S N 0.552 116.352 115.700 0.168 0.000 2.549 140 S HA 0.179 2.744 4.470 -3.176 0.000 0.286 140 S C 0.540 175.294 174.600 0.258 0.000 1.314 140 S CA -0.066 58.246 58.200 0.187 0.000 1.062 140 S CB 0.058 63.342 63.200 0.139 0.000 0.865 140 S HN 1.196 nan 8.310 nan 0.000 0.498 141 F N 3.680 123.715 119.950 0.141 0.000 2.111 141 F HA -0.194 2.478 4.527 -3.092 0.000 0.300 141 F C 1.499 177.380 175.800 0.135 0.000 1.088 141 F CA 1.379 59.486 58.000 0.179 0.000 1.243 141 F CB -1.077 38.038 39.000 0.192 0.000 0.996 141 F HN 0.776 nan 8.300 nan 0.000 0.483 142 F N 1.377 121.135 119.950 -0.320 0.000 2.095 142 F HA -0.256 2.362 4.527 -3.182 0.000 0.298 142 F C 2.577 178.084 175.800 -0.488 0.000 1.104 142 F CA 2.358 59.832 58.000 -0.876 0.000 1.232 142 F CB -1.145 37.144 39.000 -1.185 0.000 0.987 142 F HN 0.139 nan 8.300 nan 0.000 0.475 143 Q N 0.456 120.030 119.800 -0.377 0.000 2.096 143 Q HA -0.210 2.224 4.340 -3.176 0.000 0.204 143 Q C 2.117 177.985 176.000 -0.220 0.000 0.982 143 Q CA 2.111 57.708 55.803 -0.343 0.000 0.850 143 Q CB -0.779 27.923 28.738 -0.060 0.000 0.901 143 Q HN 0.564 nan 8.270 nan 0.000 0.422 144 L N -0.817 120.387 121.223 -0.032 0.000 2.017 144 L HA -0.127 2.308 4.340 -3.176 0.000 0.208 144 L C 2.097 179.001 176.870 0.056 0.000 1.073 144 L CA 1.545 56.450 54.840 0.108 0.000 0.745 144 L CB -0.705 41.529 42.059 0.291 0.000 0.894 144 L HN 0.149 nan 8.230 nan 0.000 0.432 145 V N -0.306 119.553 119.914 -0.092 0.000 2.392 145 V HA -0.323 1.892 4.120 -3.176 0.000 0.249 145 V C 2.573 178.588 176.094 -0.132 0.000 1.059 145 V CA 1.820 64.059 62.300 -0.101 0.000 1.051 145 V CB -0.669 31.045 31.823 -0.182 0.000 0.658 145 V HN 0.437 nan 8.190 nan 0.000 0.455 146 M N -0.530 118.865 119.600 -0.342 0.000 2.175 146 M HA -0.104 2.470 4.480 -3.176 0.000 0.264 146 M C 2.045 178.232 176.300 -0.188 0.000 1.063 146 M CA 1.489 56.606 55.300 -0.306 0.000 1.119 146 M CB -1.171 31.120 32.600 -0.514 0.000 1.377 146 M HN 0.321 nan 8.290 nan 0.000 0.415 147 K N -0.410 119.917 120.400 -0.122 0.000 1.978 147 K HA -0.226 2.188 4.320 -3.176 0.000 0.214 147 K C 2.071 178.585 176.600 -0.143 0.000 1.049 147 K CA 1.905 58.172 56.287 -0.032 0.000 0.939 147 K CB -0.738 31.857 32.500 0.158 0.000 0.721 147 K HN 0.196 nan 8.250 nan 0.000 0.441 148 Y N 2.180 122.182 120.300 -0.497 0.000 2.030 148 Y HA -0.333 2.317 4.550 -3.167 0.000 0.272 148 Y C 1.885 177.491 175.900 -0.491 0.000 1.185 148 Y CA 1.730 59.205 58.100 -1.042 0.000 1.120 148 Y CB -0.605 37.184 38.460 -1.120 0.000 0.955 148 Y HN 0.002 nan 8.280 nan 0.000 0.495 149 L N -0.423 120.603 121.223 -0.328 0.000 1.997 149 L HA -0.335 2.100 4.340 -3.176 0.000 0.216 149 L C 2.672 179.323 176.870 -0.365 0.000 1.074 149 L CA 1.876 56.520 54.840 -0.326 0.000 0.763 149 L CB -0.970 41.023 42.059 -0.110 0.000 0.890 149 L HN 0.376 nan 8.230 nan 0.000 0.434 150 L N -0.778 120.275 121.223 -0.283 0.000 1.955 150 L HA -0.310 2.125 4.340 -3.176 0.000 0.213 150 L C 2.773 179.485 176.870 -0.262 0.000 1.072 150 L CA 1.698 56.393 54.840 -0.241 0.000 0.755 150 L CB -0.624 41.331 42.059 -0.173 0.000 0.888 150 L HN 0.406 nan 8.230 nan 0.000 0.432 151 Q N -0.194 119.456 119.800 -0.250 0.000 2.077 151 Q HA -0.209 2.225 4.340 -3.176 0.000 0.206 151 Q C 1.581 177.421 176.000 -0.267 0.000 0.989 151 Q CA 1.513 57.198 55.803 -0.196 0.000 0.853 151 Q CB 0.182 28.868 28.738 -0.086 0.000 0.907 151 Q HN 0.309 nan 8.270 nan 0.000 0.418 152 R N 0.207 120.428 120.500 -0.465 0.000 2.426 152 R HA 0.065 2.500 4.340 -3.176 0.000 0.263 152 R C 1.630 177.672 176.300 -0.430 0.000 0.961 152 R CA 0.204 56.050 56.100 -0.425 0.000 1.086 152 R CB -0.133 29.742 30.300 -0.709 0.000 1.186 152 R HN 0.447 nan 8.270 nan 0.000 0.537 153 R N 0.339 120.587 120.500 -0.421 0.000 2.096 153 R HA -0.131 2.304 4.340 -3.176 0.000 0.235 153 R C 1.820 177.883 176.300 -0.395 0.000 1.127 153 R CA 1.228 57.120 56.100 -0.346 0.000 0.968 153 R CB -0.465 29.660 30.300 -0.293 0.000 0.861 153 R HN 0.162 nan 8.270 nan 0.000 0.440 154 Q N 0.870 120.294 119.800 -0.626 0.000 2.197 154 Q HA -0.135 2.299 4.340 -3.176 0.000 0.207 154 Q C 0.479 176.045 176.000 -0.722 0.000 0.984 154 Q CA 1.603 56.929 55.803 -0.795 0.000 0.869 154 Q CB -0.001 27.969 28.738 -1.280 0.000 0.906 154 Q HN 0.577 nan 8.270 nan 0.000 0.426 155 F N 0.153 120.042 119.950 -0.101 0.000 2.684 155 F HA 0.348 2.969 4.527 -3.178 0.000 0.298 155 F C -0.406 175.355 175.800 -0.066 0.000 1.120 155 F CA -0.488 57.468 58.000 -0.074 0.000 1.332 155 F CB 0.593 39.553 39.000 -0.067 0.000 0.986 155 F HN -0.116 nan 8.300 nan 0.000 0.524 156 L N 0.819 122.026 121.223 -0.026 0.000 2.410 156 L HA 0.411 2.846 4.340 -3.176 0.000 0.270 156 L C 0.287 177.143 176.870 -0.024 0.000 0.983 156 L CA -0.952 53.883 54.840 -0.009 0.000 0.822 156 L CB 2.302 44.330 42.059 -0.051 0.000 1.285 156 L HN 0.083 nan 8.230 nan 0.000 0.409 157 T N -1.999 112.562 114.554 0.010 0.000 2.860 157 T HA 0.120 2.564 4.350 -3.176 0.000 0.299 157 T C 1.087 175.785 174.700 -0.004 0.000 1.045 157 T CA -0.608 61.494 62.100 0.004 0.000 1.071 157 T CB 0.823 69.706 68.868 0.025 0.000 0.985 157 T HN 0.508 nan 8.240 nan 0.000 0.537 158 N N 1.621 120.311 118.700 -0.017 0.000 2.060 158 N HA -0.156 2.679 4.740 -3.176 0.000 0.195 158 N C 1.348 176.846 175.510 -0.019 0.000 1.028 158 N CA 1.721 54.753 53.050 -0.029 0.000 0.861 158 N CB -0.619 37.847 38.487 -0.034 0.000 1.029 158 N HN 0.677 nan 8.380 nan 0.000 0.428 159 D N 0.998 121.406 120.400 0.012 0.000 2.144 159 D HA -0.116 2.618 4.640 -3.176 0.000 0.199 159 D C 1.995 178.353 176.300 0.097 0.000 0.984 159 D CA 0.837 54.869 54.000 0.053 0.000 0.834 159 D CB -0.236 40.648 40.800 0.141 0.000 0.955 159 D HN 0.458 nan 8.370 nan 0.000 0.465 160 Q N -0.149 119.705 119.800 0.090 0.000 2.119 160 Q HA -0.029 2.406 4.340 -3.176 0.000 0.201 160 Q C 2.401 178.470 176.000 0.114 0.000 0.972 160 Q CA 0.614 56.485 55.803 0.113 0.000 0.847 160 Q CB 0.114 28.908 28.738 0.094 0.000 0.903 160 Q HN 0.360 nan 8.270 nan 0.000 0.433 161 I N 0.273 120.886 120.570 0.071 0.000 2.439 161 I HA -0.236 2.029 4.170 -3.176 0.000 0.251 161 I C 2.618 178.844 176.117 0.182 0.000 1.139 161 I CA 0.874 62.233 61.300 0.098 0.000 1.438 161 I CB -0.163 37.837 38.000 -0.000 0.000 1.085 161 I HN 0.152 nan 8.210 nan 0.000 0.427 162 R N 0.467 120.993 120.500 0.044 0.000 2.062 162 R HA -0.133 2.302 4.340 -3.176 0.000 0.226 162 R C 2.119 178.330 176.300 -0.148 0.000 1.125 162 R CA 1.532 57.583 56.100 -0.083 0.000 0.966 162 R CB -0.220 29.828 30.300 -0.419 0.000 0.861 162 R HN 0.280 nan 8.270 nan 0.000 0.433 163 Y N -0.184 120.164 120.300 0.080 0.000 2.476 163 Y HA -0.030 2.613 4.550 -3.178 0.000 0.283 163 Y C 1.961 177.879 175.900 0.030 0.000 1.109 163 Y CA -0.229 57.894 58.100 0.038 0.000 1.246 163 Y CB 0.181 38.655 38.460 0.023 0.000 1.068 163 Y HN 0.113 nan 8.280 nan 0.000 0.552 164 L N 2.283 123.626 121.223 0.200 0.000 1.989 164 L HA -0.101 2.333 4.340 -3.176 0.000 0.211 164 L C -0.621 176.329 176.870 0.134 0.000 1.071 164 L CA 1.866 56.793 54.840 0.145 0.000 0.749 164 L CB -1.619 40.538 42.059 0.164 0.000 0.890 164 L HN -0.050 nan 8.230 nan 0.000 0.431 165 P HA -0.201 nan 4.420 nan 0.000 0.218 165 P C 1.022 178.321 177.300 -0.001 0.000 1.146 165 P CA 1.431 64.638 63.100 0.179 0.000 0.813 165 P CB -0.097 31.768 31.700 0.276 0.000 0.778 166 Q N -0.298 119.484 119.800 -0.029 0.000 2.123 166 Q HA 0.012 2.446 4.340 -3.176 0.000 0.196 166 Q C 2.450 178.450 176.000 -0.000 0.000 0.958 166 Q CA 0.664 56.405 55.803 -0.103 0.000 0.841 166 Q CB -1.143 27.596 28.738 0.002 0.000 0.915 166 Q HN 0.323 nan 8.270 nan 0.000 0.455 167 L N 1.313 122.566 121.223 0.049 0.000 2.191 167 L HA -0.109 2.326 4.340 -3.176 0.000 0.212 167 L C 2.245 179.241 176.870 0.210 0.000 1.103 167 L CA 1.487 56.345 54.840 0.030 0.000 0.769 167 L CB -0.178 41.715 42.059 -0.278 0.000 0.908 167 L HN 0.352 nan 8.230 nan 0.000 0.438 168 C N -1.617 117.781 119.300 0.163 0.000 2.576 168 C HA 0.191 2.745 4.460 -3.176 0.000 0.267 168 C C 2.225 177.246 174.990 0.051 0.000 1.364 168 C CA -0.507 58.628 59.018 0.196 0.000 1.723 168 C CB -1.495 26.394 27.740 0.249 0.000 1.778 168 C HN 0.456 nan 8.230 nan 0.000 0.572 169 R N -0.010 120.519 120.500 0.047 0.000 2.310 169 R HA 0.054 2.489 4.340 -3.176 0.000 0.202 169 R C 1.544 177.863 176.300 0.031 0.000 0.933 169 R CA 0.650 56.748 56.100 -0.003 0.000 1.054 169 R CB -0.338 29.802 30.300 -0.268 0.000 0.985 169 R HN 0.915 nan 8.270 nan 0.000 0.489 170 Y N -1.498 118.909 120.300 0.179 0.000 2.569 170 Y HA -0.049 2.599 4.550 -3.170 0.000 0.293 170 Y C 1.433 177.411 175.900 0.130 0.000 1.144 170 Y CA 0.492 58.683 58.100 0.151 0.000 1.321 170 Y CB -0.479 38.079 38.460 0.164 0.000 0.982 170 Y HN -0.036 nan 8.280 nan 0.000 0.558 171 L N 0.540 121.434 121.223 -0.548 0.000 2.291 171 L HA -0.091 2.344 4.340 -3.176 0.000 0.214 171 L C 2.116 179.024 176.870 0.064 0.000 1.120 171 L CA 1.042 55.680 54.840 -0.337 0.000 0.799 171 L CB -0.399 41.227 42.059 -0.721 0.000 0.925 171 L HN 0.354 nan 8.230 nan 0.000 0.446 172 E N 0.118 120.392 120.200 0.123 0.000 2.153 172 E HA -0.177 2.268 4.350 -3.176 0.000 0.194 172 E C 1.791 178.512 176.600 0.202 0.000 0.988 172 E CA 0.748 57.277 56.400 0.215 0.000 0.811 172 E CB 0.039 29.842 29.700 0.171 0.000 0.746 172 E HN 0.330 nan 8.360 nan 0.000 0.466 173 L N -0.853 120.452 121.223 0.137 0.000 2.552 173 L HA -0.055 2.380 4.340 -3.176 0.000 0.227 173 L C 1.451 178.322 176.870 0.001 0.000 1.146 173 L CA 1.009 55.903 54.840 0.090 0.000 0.858 173 L CB -1.182 40.927 42.059 0.083 0.000 0.969 173 L HN 0.274 nan 8.230 nan 0.000 0.451 174 W N -0.552 120.737 121.300 -0.019 0.000 2.523 174 W HA -0.011 2.794 4.660 -3.090 0.000 0.278 174 W C 2.438 178.900 176.519 -0.094 0.000 1.236 174 W CA 0.809 58.068 57.345 -0.143 0.000 1.306 174 W CB 0.186 29.398 29.460 -0.414 0.000 1.101 174 W HN 0.258 nan 8.180 nan 0.000 0.577 175 H N -2.157 117.159 119.070 0.409 0.000 2.885 175 H HA 0.282 2.701 4.556 -3.562 0.000 0.260 175 H C 1.756 177.195 175.328 0.186 0.000 0.985 175 H CA 0.843 57.135 56.048 0.406 0.000 1.210 175 H CB 0.533 30.474 29.762 0.299 0.000 1.466 175 H HN 0.044 nan 8.280 nan 0.000 0.493 176 G N 1.825 110.769 108.800 0.240 0.000 2.225 176 G HA2 -0.209 1.846 3.960 -3.176 0.000 0.264 176 G HA3 -0.209 1.846 3.960 -3.176 0.000 0.264 176 G C -0.382 174.562 174.900 0.074 0.000 1.060 176 G CA 0.010 45.159 45.100 0.081 0.000 0.833 176 G HN 0.116 nan 8.290 nan 0.000 0.498 177 L N 0.185 121.509 121.223 0.168 0.000 2.401 177 L HA 0.510 2.944 4.340 -3.176 0.000 0.266 177 L C 0.045 177.024 176.870 0.182 0.000 0.991 177 L CA -1.006 53.926 54.840 0.153 0.000 0.818 177 L CB 1.747 43.921 42.059 0.192 0.000 1.321 177 L HN 0.341 nan 8.230 nan 0.000 0.413 178 D N 1.828 122.324 120.400 0.160 0.000 2.414 178 D HA -0.064 2.671 4.640 -3.176 0.000 0.242 178 D C 0.973 177.497 176.300 0.375 0.000 1.129 178 D CA -0.265 53.869 54.000 0.224 0.000 0.885 178 D CB 1.204 42.111 40.800 0.179 0.000 1.198 178 D HN 0.536 nan 8.370 nan 0.000 0.437 179 W N 4.760 126.150 121.300 0.150 0.000 2.436 179 W HA -0.103 2.642 4.660 -3.192 0.000 0.261 179 W C 0.738 177.373 176.519 0.193 0.000 1.222 179 W CA 0.310 57.800 57.345 0.242 0.000 1.191 179 W CB -0.975 28.564 29.460 0.131 0.000 1.132 179 W HN 0.417 nan 8.180 nan 0.000 0.596 180 K N 0.163 120.698 120.400 0.225 0.000 2.367 180 K HA 0.192 2.607 4.320 -3.176 0.000 0.194 180 K C 1.699 178.320 176.600 0.034 0.000 1.027 180 K CA 0.263 56.549 56.287 -0.001 0.000 1.075 180 K CB 0.165 32.574 32.500 -0.152 0.000 0.845 180 K HN 0.217 nan 8.250 nan 0.000 0.529 181 L N 0.322 121.582 121.223 0.060 0.000 2.701 181 L HA 0.196 2.630 4.340 -3.176 0.000 0.238 181 L C 0.208 177.084 176.870 0.010 0.000 1.106 181 L CA -0.314 54.477 54.840 -0.082 0.000 0.898 181 L CB 0.309 42.265 42.059 -0.172 0.000 1.188 181 L HN 0.064 nan 8.230 nan 0.000 0.508 182 L N 0.365 121.675 121.223 0.144 0.000 2.371 182 L HA 0.230 2.664 4.340 -3.176 0.000 0.272 182 L C 0.680 177.642 176.870 0.154 0.000 1.124 182 L CA 0.257 55.184 54.840 0.146 0.000 0.816 182 L CB 1.453 43.580 42.059 0.115 0.000 1.129 182 L HN -0.127 nan 8.230 nan 0.000 0.448 183 S N 3.950 119.710 115.700 0.101 0.000 2.443 183 S HA 0.320 2.884 4.470 -3.176 0.000 0.284 183 S C 1.466 176.112 174.600 0.077 0.000 1.206 183 S CA -0.074 58.181 58.200 0.091 0.000 1.074 183 S CB 0.300 63.529 63.200 0.048 0.000 0.963 183 S HN 0.934 nan 8.310 nan 0.000 0.501 184 A N 6.881 129.837 122.820 0.226 0.000 1.915 184 A HA -0.204 2.211 4.320 -3.176 0.000 0.220 184 A C 2.239 180.039 177.584 0.360 0.000 1.198 184 A CA 1.979 54.257 52.037 0.402 0.000 0.647 184 A CB -0.666 18.714 19.000 0.634 0.000 0.825 184 A HN 0.899 nan 8.150 nan 0.000 0.456 185 K N -1.125 119.334 120.400 0.099 0.000 2.015 185 K HA -0.253 2.162 4.320 -3.176 0.000 0.216 185 K C 1.881 178.486 176.600 0.009 0.000 1.052 185 K CA 1.853 58.046 56.287 -0.158 0.000 0.937 185 K CB -0.402 31.845 32.500 -0.422 0.000 0.719 185 K HN 0.523 nan 8.250 nan 0.000 0.446 186 D N 0.033 120.416 120.400 -0.027 0.000 2.218 186 D HA -0.090 2.645 4.640 -3.176 0.000 0.204 186 D C 1.441 177.663 176.300 -0.130 0.000 0.976 186 D CA 1.112 55.122 54.000 0.017 0.000 0.853 186 D CB -0.026 40.774 40.800 0.001 0.000 0.939 186 D HN 0.133 nan 8.370 nan 0.000 0.481 187 T N -0.909 113.456 114.554 -0.315 0.000 2.778 187 T HA -0.215 2.230 4.350 -3.176 0.000 0.269 187 T C 0.724 174.867 174.700 -0.929 0.000 1.050 187 T CA 1.142 62.846 62.100 -0.660 0.000 1.137 187 T CB -0.329 67.968 68.868 -0.952 0.000 0.860 187 T HN 0.290 nan 8.240 nan 0.000 0.468 188 Y N 1.380 121.450 120.300 -0.384 0.000 2.722 188 Y HA 0.359 3.031 4.550 -3.132 0.000 0.314 188 Y C 0.174 175.898 175.900 -0.294 0.000 1.008 188 Y CA -2.207 55.666 58.100 -0.379 0.000 1.294 188 Y CB -0.633 37.722 38.460 -0.176 0.000 1.231 188 Y HN 0.156 nan 8.280 nan 0.000 0.558 189 F N -0.749 119.143 119.950 -0.097 0.000 2.535 189 F HA 0.591 5.210 4.527 0.154 0.000 0.332 189 F C 0.872 176.517 175.800 -0.258 0.000 1.208 189 F CA -1.520 56.385 58.000 -0.159 0.000 1.330 189 F CB -0.088 38.781 39.000 -0.218 0.000 1.167 189 F HN 0.080 nan 8.300 nan 0.000 0.597 190 G N -0.520 108.355 108.800 0.124 0.000 2.522 190 G HA2 0.408 2.463 3.960 -3.176 0.000 0.304 190 G HA3 0.408 2.463 3.960 -3.176 0.000 0.304 190 G C -1.549 173.269 174.900 -0.138 0.000 1.210 190 G CA -0.628 44.482 45.100 0.016 0.000 0.960 190 G HN 0.833 nan 8.290 nan 0.000 0.497 191 H N 0.110 119.188 119.070 0.013 0.000 2.782 191 H HA 0.196 2.864 4.556 -3.147 0.000 0.347 191 H C -0.229 175.100 175.328 0.002 0.000 1.038 191 H CA -0.520 55.514 56.048 -0.023 0.000 1.255 191 H CB 2.188 31.910 29.762 -0.068 0.000 1.623 191 H HN 0.354 nan 8.280 nan 0.000 0.525 192 Q N 2.426 122.323 119.800 0.163 0.000 2.892 192 Q HA 0.246 2.680 4.340 -3.176 0.000 0.237 192 Q C 0.919 176.968 176.000 0.082 0.000 1.157 192 Q CA 0.298 56.158 55.803 0.095 0.000 0.939 192 Q CB -0.512 28.266 28.738 0.068 0.000 1.715 192 Q HN 0.971 nan 8.270 nan 0.000 0.451 193 G N 0.580 109.432 108.800 0.087 0.000 2.631 193 G HA2 -0.210 1.845 3.960 -3.176 0.000 0.504 193 G HA3 -0.210 1.845 3.960 -3.176 0.000 0.504 193 G C -0.678 174.267 174.900 0.074 0.000 1.306 193 G CA -1.015 44.126 45.100 0.067 0.000 0.897 193 G HN 0.447 nan 8.290 nan 0.000 0.520 194 R N -0.050 120.508 120.500 0.095 0.000 2.861 194 R HA 0.230 2.665 4.340 -3.176 0.000 0.268 194 R C 0.310 176.677 176.300 0.111 0.000 1.027 194 R CA 0.461 56.652 56.100 0.153 0.000 1.163 194 R CB 0.049 30.516 30.300 0.278 0.000 1.060 194 R HN 0.591 nan 8.270 nan 0.000 0.483 195 N N -0.590 118.174 118.700 0.107 0.000 2.430 195 N HA 0.365 3.200 4.740 -3.176 0.000 0.292 195 N C -1.305 174.156 175.510 -0.082 0.000 1.051 195 N CA -0.369 52.691 53.050 0.016 0.000 0.917 195 N CB 1.999 40.475 38.487 -0.019 0.000 1.164 195 N HN 0.557 nan 8.380 nan 0.000 0.484 196 A N 1.807 124.444 122.820 -0.305 0.000 2.273 196 A HA 0.393 2.808 4.320 -3.176 0.000 0.315 196 A C -1.068 176.534 177.584 0.030 0.000 1.256 196 A CA -0.570 51.144 52.037 -0.538 0.000 0.851 196 A CB -0.123 18.094 19.000 -1.304 0.000 1.172 196 A HN 0.681 nan 8.150 nan 0.000 0.508 197 F N 3.715 123.719 119.950 0.091 0.000 2.502 197 F HA 0.441 3.060 4.527 -3.181 0.000 0.371 197 F C 0.853 176.567 175.800 -0.143 0.000 1.083 197 F CA -0.446 57.514 58.000 -0.067 0.000 1.174 197 F CB 0.487 39.460 39.000 -0.045 0.000 1.096 197 F HN 0.719 nan 8.300 nan 0.000 0.545 198 A N 7.699 129.952 122.820 -0.945 0.000 2.491 198 A HA 0.238 2.652 4.320 -3.176 0.000 0.261 198 A C -0.002 177.160 177.584 -0.703 0.000 1.101 198 A CA -0.342 51.211 52.037 -0.806 0.000 0.772 198 A CB -0.362 17.833 19.000 -1.340 0.000 1.043 198 A HN 0.878 nan 8.150 nan 0.000 0.501 199 L N 3.932 124.974 121.223 -0.301 0.000 2.536 199 L HA 0.204 2.639 4.340 -3.176 0.000 0.242 199 L C -0.309 176.451 176.870 -0.184 0.000 1.280 199 L CA -0.151 54.576 54.840 -0.189 0.000 1.221 199 L CB -1.005 41.004 42.059 -0.082 0.000 1.449 199 L HN 0.816 nan 8.230 nan 0.000 0.405 200 N N 0.271 118.826 118.700 -0.242 0.000 3.992 200 N HA -0.161 2.673 4.740 -3.176 0.000 0.274 200 N C -0.016 175.414 175.510 -0.133 0.000 0.944 200 N CA 0.208 53.169 53.050 -0.148 0.000 0.725 200 N CB -1.017 37.414 38.487 -0.094 0.000 1.396 200 N HN 0.323 nan 8.380 nan 0.000 0.592 201 Y N 0.934 121.137 120.300 -0.162 0.000 2.509 201 Y HA -0.146 2.497 4.550 -3.179 0.000 0.293 201 Y C 2.218 178.091 175.900 -0.045 0.000 1.133 201 Y CA 1.340 59.365 58.100 -0.125 0.000 1.283 201 Y CB 0.387 38.747 38.460 -0.166 0.000 1.001 201 Y HN 0.496 nan 8.280 nan 0.000 0.555 202 D N -1.474 118.995 120.400 0.115 0.000 2.219 202 D HA -0.142 2.593 4.640 -3.176 0.000 0.205 202 D C 1.725 178.060 176.300 0.059 0.000 0.970 202 D CA 1.373 55.421 54.000 0.080 0.000 0.851 202 D CB -0.582 40.242 40.800 0.040 0.000 0.943 202 D HN 0.140 nan 8.370 nan 0.000 0.488 203 S N -0.212 115.508 115.700 0.033 0.000 2.436 203 S HA -0.017 2.548 4.470 -3.176 0.000 0.228 203 S C 2.205 176.835 174.600 0.050 0.000 1.014 203 S CA 0.431 58.641 58.200 0.017 0.000 0.950 203 S CB -0.033 63.157 63.200 -0.017 0.000 0.784 203 S HN 0.181 nan 8.310 nan 0.000 0.504 204 V N 1.624 121.595 119.914 0.094 0.000 2.270 204 V HA -0.130 2.085 4.120 -3.176 0.000 0.245 204 V C 2.357 178.545 176.094 0.156 0.000 1.043 204 V CA 1.377 63.763 62.300 0.144 0.000 1.014 204 V CB -0.793 31.187 31.823 0.262 0.000 0.645 204 V HN 0.327 nan 8.190 nan 0.000 0.447 205 V N -0.395 119.615 119.914 0.160 0.000 2.231 205 V HA -0.379 1.836 4.120 -3.176 0.000 0.248 205 V C 2.475 178.625 176.094 0.093 0.000 1.054 205 V CA 2.536 64.919 62.300 0.139 0.000 1.015 205 V CB -0.796 31.098 31.823 0.118 0.000 0.638 205 V HN 0.519 nan 8.190 nan 0.000 0.444 206 Q N -0.222 119.612 119.800 0.056 0.000 2.152 206 Q HA -0.242 2.193 4.340 -3.176 0.000 0.206 206 Q C 2.328 178.329 176.000 0.001 0.000 0.985 206 Q CA 2.152 57.961 55.803 0.011 0.000 0.863 206 Q CB -0.366 28.371 28.738 -0.002 0.000 0.904 206 Q HN 0.551 nan 8.270 nan 0.000 0.422 207 R N -0.396 120.124 120.500 0.033 0.000 2.083 207 R HA -0.138 2.297 4.340 -3.176 0.000 0.237 207 R C 2.054 178.383 176.300 0.048 0.000 1.137 207 R CA 1.818 57.938 56.100 0.034 0.000 0.951 207 R CB -0.305 30.030 30.300 0.058 0.000 0.851 207 R HN 0.357 nan 8.270 nan 0.000 0.434 208 I N 0.421 121.057 120.570 0.110 0.000 2.233 208 I HA -0.171 2.094 4.170 -3.176 0.000 0.243 208 I C 2.576 178.734 176.117 0.068 0.000 1.093 208 I CA 1.090 62.485 61.300 0.158 0.000 1.380 208 I CB -0.498 37.663 38.000 0.267 0.000 1.067 208 I HN 0.287 nan 8.210 nan 0.000 0.413 209 A N 1.330 124.157 122.820 0.011 0.000 1.986 209 A HA -0.266 2.149 4.320 -3.176 0.000 0.220 209 A C 2.084 179.353 177.584 -0.526 0.000 1.171 209 A CA 2.110 54.023 52.037 -0.208 0.000 0.640 209 A CB -0.742 18.203 19.000 -0.092 0.000 0.811 209 A HN 0.668 nan 8.150 nan 0.000 0.451 210 Q N 0.071 119.694 119.800 -0.296 0.000 2.322 210 Q HA 0.144 2.579 4.340 -3.176 0.000 0.203 210 Q C 0.914 176.734 176.000 -0.300 0.000 0.923 210 Q CA 0.961 56.577 55.803 -0.311 0.000 0.949 210 Q CB -0.484 28.150 28.738 -0.174 0.000 1.039 210 Q HN 0.525 nan 8.270 nan 0.000 0.496 211 S N -0.362 115.171 115.700 -0.278 0.000 2.572 211 S HA 0.346 2.911 4.470 -3.176 0.000 0.228 211 S C -0.172 174.278 174.600 -0.249 0.000 0.963 211 S CA -0.862 57.244 58.200 -0.156 0.000 0.939 211 S CB -0.501 62.715 63.200 0.027 0.000 0.804 211 S HN 0.461 nan 8.310 nan 0.000 0.480 212 F N -0.795 118.891 119.950 -0.439 0.000 2.608 212 F HA 0.740 3.361 4.527 -3.177 0.000 0.309 212 F C -3.128 172.202 175.800 -0.783 0.000 1.103 212 F CA -3.002 54.497 58.000 -0.835 0.000 0.954 212 F CB 0.119 38.759 39.000 -0.600 0.000 1.267 212 F HN -0.236 nan 8.300 nan 0.000 0.444 213 P HA -0.121 nan 4.420 nan 0.000 0.260 213 P C -0.101 177.048 177.300 -0.252 0.000 1.147 213 P CA 0.581 63.339 63.100 -0.571 0.000 0.758 213 P CB 0.705 31.968 31.700 -0.728 0.000 0.744 214 Q N 2.933 122.620 119.800 -0.189 0.000 2.364 214 Q HA -0.192 2.242 4.340 -3.176 0.000 0.207 214 Q C 1.196 177.242 176.000 0.078 0.000 0.970 214 Q CA 1.697 57.455 55.803 -0.075 0.000 0.888 214 Q CB -0.864 27.812 28.738 -0.102 0.000 0.951 214 Q HN 0.564 nan 8.270 nan 0.000 0.469 215 N N -1.166 117.594 118.700 0.100 0.000 2.521 215 N HA -0.111 2.724 4.740 -3.176 0.000 0.188 215 N C 0.500 176.213 175.510 0.337 0.000 1.146 215 N CA 0.332 53.489 53.050 0.179 0.000 0.893 215 N CB -0.055 38.523 38.487 0.151 0.000 0.975 215 N HN 0.221 nan 8.380 nan 0.000 0.451 216 W N 0.296 121.665 121.300 0.115 0.000 2.539 216 W HA 0.359 3.113 4.660 -3.177 0.000 0.281 216 W C 0.296 176.871 176.519 0.093 0.000 1.220 216 W CA -0.459 56.943 57.345 0.096 0.000 1.332 216 W CB -0.592 28.953 29.460 0.142 0.000 1.095 216 W HN 0.064 nan 8.180 nan 0.000 0.571 217 L N 2.421 123.914 121.223 0.450 0.000 2.385 217 L HA 0.165 2.600 4.340 -3.176 0.000 0.281 217 L C 0.134 177.103 176.870 0.165 0.000 1.106 217 L CA 0.361 55.388 54.840 0.312 0.000 0.856 217 L CB 0.071 42.335 42.059 0.342 0.000 1.186 217 L HN -0.222 nan 8.230 nan 0.000 0.453 218 K N 6.287 126.751 120.400 0.107 0.000 2.449 218 K HA 0.437 2.852 4.320 -3.176 0.000 0.257 218 K C -1.078 175.554 176.600 0.054 0.000 0.989 218 K CA -0.570 55.762 56.287 0.075 0.000 0.916 218 K CB 0.622 33.161 32.500 0.064 0.000 1.136 218 K HN 0.658 nan 8.250 nan 0.000 0.439 219 L N 2.118 123.371 121.223 0.049 0.000 2.456 219 L HA 0.222 2.657 4.340 -3.176 0.000 0.257 219 L C 0.569 177.449 176.870 0.016 0.000 1.162 219 L CA -0.451 54.405 54.840 0.027 0.000 0.808 219 L CB 1.193 43.269 42.059 0.028 0.000 1.136 219 L HN 0.851 nan 8.230 nan 0.000 0.466 220 S N -0.640 115.056 115.700 -0.007 0.000 3.698 220 S HA -0.192 2.372 4.470 -3.176 0.000 0.338 220 S C -0.225 174.375 174.600 0.000 0.000 1.089 220 S CA 0.240 58.436 58.200 -0.007 0.000 0.991 220 S CB -1.419 61.791 63.200 0.016 0.000 0.909 220 S HN 0.660 nan 8.310 nan 0.000 0.485 221 c N 2.366 120.957 118.600 -0.014 0.000 2.301 221 c HA 0.401 3.066 4.570 -3.176 0.000 0.313 221 c C 0.482 174.562 174.090 -0.017 0.000 1.121 221 c CA -0.651 55.684 56.329 0.010 0.000 1.507 221 c CB -0.064 42.469 42.510 0.039 0.000 1.975 221 c HN 0.634 nan 8.230 nan 0.000 0.425 222 E N 4.013 124.212 120.200 -0.000 0.000 2.129 222 E HA 0.272 2.717 4.350 -3.176 0.000 0.283 222 E C -0.533 176.083 176.600 0.026 0.000 1.080 222 E CA -0.171 56.234 56.400 0.009 0.000 0.867 222 E CB 0.799 30.554 29.700 0.091 0.000 1.056 222 E HN 0.547 nan 8.360 nan 0.000 0.404 223 V N 6.416 126.337 119.914 0.012 0.000 2.479 223 V HA -0.045 2.170 4.120 -3.176 0.000 0.281 223 V C 1.240 177.330 176.094 -0.007 0.000 1.031 223 V CA 0.516 62.818 62.300 0.005 0.000 1.038 223 V CB 0.768 32.584 31.823 -0.012 0.000 0.981 223 V HN 0.748 nan 8.190 nan 0.000 0.478 224 K N 2.972 123.363 120.400 -0.016 0.000 2.354 224 K HA 0.261 2.676 4.320 -3.176 0.000 0.194 224 K C 0.475 177.026 176.600 -0.081 0.000 1.038 224 K CA 0.381 56.651 56.287 -0.029 0.000 1.052 224 K CB 0.573 33.067 32.500 -0.008 0.000 0.861 224 K HN 0.672 nan 8.250 nan 0.000 0.535 225 S N -0.018 115.618 115.700 -0.107 0.000 2.567 225 S HA 0.570 3.135 4.470 -3.176 0.000 0.270 225 S C -1.191 173.306 174.600 -0.172 0.000 1.152 225 S CA -1.042 57.058 58.200 -0.166 0.000 0.835 225 S CB 1.197 64.338 63.200 -0.098 0.000 1.115 225 S HN 0.154 nan 8.310 nan 0.000 0.459 226 I N 1.307 121.740 120.570 -0.229 0.000 2.607 226 I HA 0.508 2.773 4.170 -3.176 0.000 0.290 226 I C -1.107 174.984 176.117 -0.044 0.000 1.129 226 I CA -0.414 60.804 61.300 -0.137 0.000 1.042 226 I CB 2.720 40.618 38.000 -0.170 0.000 1.242 226 I HN 0.781 nan 8.210 nan 0.000 0.421 227 T N 4.564 119.116 114.554 -0.003 0.000 2.928 227 T HA 0.350 2.795 4.350 -3.176 0.000 0.296 227 T C -0.344 174.367 174.700 0.019 0.000 1.000 227 T CA -0.639 61.476 62.100 0.025 0.000 0.989 227 T CB 2.054 70.928 68.868 0.009 0.000 1.005 227 T HN 0.313 nan 8.240 nan 0.000 0.442 228 R N 2.861 123.380 120.500 0.032 0.000 2.870 228 R HA 0.180 2.615 4.340 -3.176 0.000 0.254 228 R C -0.140 176.157 176.300 -0.004 0.000 1.392 228 R CA -0.359 55.743 56.100 0.004 0.000 1.322 228 R CB -0.426 29.878 30.300 0.007 0.000 1.205 228 R HN 0.720 nan 8.270 nan 0.000 0.597 229 E N 4.028 124.221 120.200 -0.012 0.000 2.529 229 E HA -0.066 2.379 4.350 -3.176 0.000 0.259 229 E C -1.297 175.292 176.600 -0.018 0.000 0.966 229 E CA -1.021 55.372 56.400 -0.012 0.000 0.937 229 E CB 0.814 30.505 29.700 -0.016 0.000 0.923 229 E HN 0.354 nan 8.360 nan 0.000 0.468 230 P HA -0.199 nan 4.420 nan 0.000 0.223 230 P C 0.935 178.223 177.300 -0.020 0.000 1.144 230 P CA 1.110 64.202 63.100 -0.015 0.000 0.783 230 P CB 0.144 31.839 31.700 -0.008 0.000 0.771 231 S N -0.318 115.369 115.700 -0.021 0.000 2.537 231 S HA -0.078 2.486 4.470 -3.176 0.000 0.240 231 S C 0.744 175.324 174.600 -0.033 0.000 0.981 231 S CA 0.358 58.544 58.200 -0.023 0.000 0.948 231 S CB -1.041 62.146 63.200 -0.020 0.000 0.759 231 S HN 0.226 nan 8.310 nan 0.000 0.531 232 K N 0.441 120.815 120.400 -0.044 0.000 3.239 232 K HA -0.067 2.348 4.320 -3.176 0.000 0.269 232 K C -1.074 175.473 176.600 -0.088 0.000 1.193 232 K CA 0.368 56.615 56.287 -0.066 0.000 0.803 232 K CB -2.021 30.445 32.500 -0.056 0.000 1.320 232 K HN 0.513 nan 8.250 nan 0.000 0.509 233 N N -0.504 118.146 118.700 -0.084 0.000 2.859 233 N HA 0.336 3.170 4.740 -3.176 0.000 0.250 233 N C -1.188 174.277 175.510 -0.076 0.000 1.341 233 N CA -0.700 52.295 53.050 -0.091 0.000 0.881 233 N CB 2.123 40.575 38.487 -0.059 0.000 1.516 233 N HN -0.076 nan 8.380 nan 0.000 0.503 234 V N 0.960 120.827 119.914 -0.077 0.000 2.435 234 V HA 0.467 2.682 4.120 -3.176 0.000 0.290 234 V C 0.130 176.210 176.094 -0.023 0.000 1.030 234 V CA -0.311 61.959 62.300 -0.051 0.000 0.881 234 V CB 1.633 33.419 31.823 -0.063 0.000 0.983 234 V HN 0.611 nan 8.190 nan 0.000 0.445 235 T N 4.537 119.084 114.554 -0.012 0.000 2.767 235 T HA 0.566 3.011 4.350 -3.176 0.000 0.284 235 T C -0.344 174.357 174.700 0.003 0.000 0.973 235 T CA -0.249 61.851 62.100 0.001 0.000 0.996 235 T CB 1.298 70.162 68.868 -0.006 0.000 0.927 235 T HN 0.388 nan 8.240 nan 0.000 0.456 236 V N 5.136 125.071 119.914 0.036 0.000 2.448 236 V HA 0.464 2.679 4.120 -3.176 0.000 0.295 236 V C -0.374 175.759 176.094 0.064 0.000 1.025 236 V CA -1.083 61.240 62.300 0.039 0.000 0.859 236 V CB 1.684 33.542 31.823 0.059 0.000 0.988 236 V HN 0.791 nan 8.190 nan 0.000 0.431 237 N N 2.822 121.533 118.700 0.018 0.000 2.518 237 N HA 0.355 3.190 4.740 -3.176 0.000 0.254 237 N C -0.345 175.175 175.510 0.017 0.000 0.979 237 N CA -0.309 52.745 53.050 0.007 0.000 0.930 237 N CB 1.665 40.140 38.487 -0.020 0.000 1.152 237 N HN 0.567 nan 8.380 nan 0.000 0.505 238 c N 0.541 119.168 118.600 0.045 0.000 2.705 238 c HA 0.000 2.665 4.570 -3.176 0.000 0.348 238 c C 2.443 176.545 174.090 0.020 0.000 1.386 238 c CA -0.266 56.091 56.329 0.046 0.000 2.361 238 c CB 0.473 43.029 42.510 0.078 0.000 2.486 238 c HN 0.749 nan 8.230 nan 0.000 0.728 239 E N 0.573 120.789 120.200 0.025 0.000 2.204 239 E HA -0.205 2.240 4.350 -3.176 0.000 0.194 239 E C 1.218 177.826 176.600 0.014 0.000 0.989 239 E CA 1.768 58.182 56.400 0.022 0.000 0.824 239 E CB -0.115 29.608 29.700 0.039 0.000 0.756 239 E HN 0.837 nan 8.360 nan 0.000 0.477 240 D N -1.258 119.149 120.400 0.013 0.000 2.323 240 D HA 0.035 2.769 4.640 -3.176 0.000 0.209 240 D C 1.409 177.702 176.300 -0.013 0.000 0.973 240 D CA 1.143 55.146 54.000 0.004 0.000 0.874 240 D CB 0.431 41.236 40.800 0.009 0.000 0.930 240 D HN 0.347 nan 8.370 nan 0.000 0.521 241 G N -0.216 108.569 108.800 -0.024 0.000 2.541 241 G HA2 -0.210 1.844 3.960 -3.176 0.000 0.201 241 G HA3 -0.210 1.844 3.960 -3.176 0.000 0.201 241 G C 0.464 175.313 174.900 -0.085 0.000 1.026 241 G CA 0.057 45.131 45.100 -0.044 0.000 0.687 241 G HN 0.693 nan 8.290 nan 0.000 0.492 242 T N 0.600 115.087 114.554 -0.112 0.000 2.866 242 T HA 0.456 2.901 4.350 -3.176 0.000 0.293 242 T C 0.146 174.658 174.700 -0.313 0.000 1.005 242 T CA 0.299 62.255 62.100 -0.240 0.000 1.162 242 T CB 1.977 70.676 68.868 -0.281 0.000 0.968 242 T HN 0.925 nan 8.240 nan 0.000 0.530 243 V N 4.289 123.990 119.914 -0.356 0.000 2.555 243 V HA 0.504 2.719 4.120 -3.176 0.000 0.302 243 V C -0.839 175.038 176.094 -0.362 0.000 1.038 243 V CA -1.032 61.116 62.300 -0.254 0.000 0.887 243 V CB 1.199 32.946 31.823 -0.126 0.000 0.991 243 V HN 0.900 nan 8.190 nan 0.000 0.434 244 Y N 2.321 122.600 120.300 -0.035 0.000 2.468 244 Y HA 0.455 3.099 4.550 -3.175 0.000 0.342 244 Y C 0.400 176.274 175.900 -0.044 0.000 1.021 244 Y CA -0.739 57.337 58.100 -0.040 0.000 1.079 244 Y CB 1.642 40.073 38.460 -0.048 0.000 1.226 244 Y HN 0.575 nan 8.280 nan 0.000 0.460 245 N N 1.803 120.579 118.700 0.127 0.000 2.446 245 N HA 0.660 3.494 4.740 -3.176 0.000 0.265 245 N C -1.644 173.884 175.510 0.029 0.000 0.975 245 N CA -0.079 52.999 53.050 0.047 0.000 0.928 245 N CB 1.244 39.742 38.487 0.018 0.000 1.160 245 N HN 0.824 nan 8.380 nan 0.000 0.495 246 A N 2.962 125.778 122.820 -0.006 0.000 2.380 246 A HA 0.392 2.807 4.320 -3.176 0.000 0.315 246 A C 0.237 177.781 177.584 -0.065 0.000 1.101 246 A CA -0.600 51.416 52.037 -0.036 0.000 0.771 246 A CB 1.306 20.273 19.000 -0.055 0.000 1.287 246 A HN 0.667 nan 8.150 nan 0.000 0.436 247 D N -0.429 119.943 120.400 -0.047 0.000 2.123 247 D HA 0.088 2.822 4.640 -3.176 0.000 0.200 247 D C -0.403 175.701 176.300 -0.328 0.000 0.976 247 D CA 2.132 56.067 54.000 -0.108 0.000 0.831 247 D CB -0.027 40.823 40.800 0.084 0.000 0.974 247 D HN 0.537 nan 8.370 nan 0.000 0.469 248 Y N -1.631 118.618 120.300 -0.086 0.000 2.638 248 Y HA 0.535 3.180 4.550 -3.176 0.000 0.339 248 Y C -0.536 175.295 175.900 -0.114 0.000 1.084 248 Y CA -1.092 56.952 58.100 -0.094 0.000 1.068 248 Y CB 2.148 40.550 38.460 -0.097 0.000 1.294 248 Y HN -0.466 nan 8.280 nan 0.000 0.480 249 V N 2.887 122.829 119.914 0.047 0.000 2.655 249 V HA 0.351 2.566 4.120 -3.176 0.000 0.301 249 V C -0.902 175.138 176.094 -0.090 0.000 1.082 249 V CA -0.781 61.491 62.300 -0.047 0.000 0.899 249 V CB 1.865 33.647 31.823 -0.069 0.000 1.014 249 V HN 0.573 nan 8.190 nan 0.000 0.429 250 I N 5.770 126.282 120.570 -0.095 0.000 2.395 250 I HA 0.377 2.642 4.170 -3.176 0.000 0.282 250 I C 0.017 176.085 176.117 -0.082 0.000 1.107 250 I CA -0.229 61.008 61.300 -0.105 0.000 1.210 250 I CB 0.614 38.568 38.000 -0.076 0.000 1.456 250 I HN 0.478 nan 8.210 nan 0.000 0.504 251 I N 4.638 125.124 120.570 -0.140 0.000 2.664 251 I HA -0.055 2.209 4.170 -3.176 0.000 0.284 251 I C 1.421 177.635 176.117 0.163 0.000 1.154 251 I CA 0.595 61.900 61.300 0.009 0.000 1.402 251 I CB 0.531 38.541 38.000 0.016 0.000 1.395 251 I HN 0.568 nan 8.210 nan 0.000 0.545 252 T N 2.765 117.418 114.554 0.165 0.000 3.182 252 T HA 0.206 2.650 4.350 -3.176 0.000 0.277 252 T C 0.281 175.127 174.700 0.243 0.000 1.013 252 T CA -0.460 61.763 62.100 0.206 0.000 0.900 252 T CB -0.411 68.533 68.868 0.126 0.000 1.098 252 T HN 0.366 nan 8.240 nan 0.000 0.543 253 V N -0.230 119.832 119.914 0.247 0.000 3.032 253 V HA 0.397 2.611 4.120 -3.176 0.000 0.307 253 V C -2.459 173.757 176.094 0.202 0.000 1.097 253 V CA -1.778 60.648 62.300 0.209 0.000 1.191 253 V CB -0.404 31.542 31.823 0.205 0.000 0.964 253 V HN 0.094 nan 8.190 nan 0.000 0.494 254 P HA 0.073 nan 4.420 nan 0.000 0.270 254 P C 0.587 177.696 177.300 -0.319 0.000 1.227 254 P CA -0.079 62.986 63.100 -0.058 0.000 0.788 254 P CB 0.375 32.086 31.700 0.018 0.000 0.926 255 Q N 1.192 120.534 119.800 -0.763 0.000 2.050 255 Q HA -0.155 2.280 4.340 -3.176 0.000 0.202 255 Q C 2.061 177.861 176.000 -0.332 0.000 0.980 255 Q CA 2.577 57.923 55.803 -0.761 0.000 0.840 255 Q CB -1.096 27.059 28.738 -0.970 0.000 0.898 255 Q HN 0.610 nan 8.270 nan 0.000 0.424 256 S N -0.774 114.807 115.700 -0.199 0.000 2.387 256 S HA -0.136 2.428 4.470 -3.176 0.000 0.230 256 S C 2.105 176.659 174.600 -0.078 0.000 1.035 256 S CA 1.637 59.788 58.200 -0.082 0.000 1.014 256 S CB -0.773 62.444 63.200 0.028 0.000 0.836 256 S HN 0.139 nan 8.310 nan 0.000 0.466 257 V N 1.716 121.608 119.914 -0.036 0.000 2.229 257 V HA -0.073 2.141 4.120 -3.176 0.000 0.243 257 V C 2.506 178.611 176.094 0.019 0.000 1.042 257 V CA 1.693 64.008 62.300 0.025 0.000 1.000 257 V CB -0.961 30.921 31.823 0.099 0.000 0.637 257 V HN 0.438 nan 8.190 nan 0.000 0.446 258 L N 1.034 122.288 121.223 0.050 0.000 2.064 258 L HA -0.277 2.158 4.340 -3.176 0.000 0.216 258 L C 2.293 179.179 176.870 0.027 0.000 1.077 258 L CA 2.116 57.044 54.840 0.148 0.000 0.766 258 L CB -1.159 41.006 42.059 0.178 0.000 0.890 258 L HN 0.399 nan 8.230 nan 0.000 0.435 259 N N -0.391 118.129 118.700 -0.299 0.000 2.272 259 N HA -0.186 2.649 4.740 -3.176 0.000 0.185 259 N C 1.855 177.128 175.510 -0.394 0.000 1.014 259 N CA 1.242 53.771 53.050 -0.868 0.000 0.870 259 N CB -0.123 37.798 38.487 -0.943 0.000 0.975 259 N HN 0.449 nan 8.380 nan 0.000 0.433 260 L N 0.266 121.393 121.223 -0.159 0.000 2.127 260 L HA -0.118 2.316 4.340 -3.176 0.000 0.211 260 L C 2.083 178.962 176.870 0.015 0.000 1.089 260 L CA 0.706 55.511 54.840 -0.059 0.000 0.757 260 L CB -0.356 41.699 42.059 -0.008 0.000 0.899 260 L HN 0.061 nan 8.230 nan 0.000 0.434 261 S N -0.349 115.410 115.700 0.098 0.000 2.469 261 S HA -0.080 2.485 4.470 -3.176 0.000 0.238 261 S C 1.140 175.851 174.600 0.184 0.000 0.998 261 S CA 1.031 59.367 58.200 0.227 0.000 0.957 261 S CB -0.228 63.272 63.200 0.501 0.000 0.764 261 S HN 0.403 nan 8.310 nan 0.000 0.514 262 V N -0.131 119.841 119.914 0.096 0.000 2.622 262 V HA 0.569 2.783 4.120 -3.176 0.000 0.296 262 V C -0.561 175.552 176.094 0.031 0.000 1.174 262 V CA -0.453 61.906 62.300 0.099 0.000 1.391 262 V CB -0.538 31.396 31.823 0.186 0.000 1.553 262 V HN 0.185 nan 8.190 nan 0.000 0.581 263 Q N 1.684 121.504 119.800 0.033 0.000 2.472 263 Q HA 0.513 2.947 4.340 -3.176 0.000 0.281 263 Q C -2.979 173.035 176.000 0.024 0.000 0.997 263 Q CA -1.433 54.378 55.803 0.013 0.000 0.828 263 Q CB 3.371 32.099 28.738 -0.016 0.000 1.443 263 Q HN 0.425 nan 8.270 nan 0.000 0.390 264 P HA 0.181 nan 4.420 nan 0.000 0.278 264 P C -1.231 176.078 177.300 0.014 0.000 1.238 264 P CA 0.048 63.159 63.100 0.019 0.000 0.794 264 P CB 0.778 32.487 31.700 0.016 0.000 0.955 265 E N 0.488 120.697 120.200 0.015 0.000 7.466 265 E HA -0.079 2.365 4.350 -3.176 0.000 0.222 265 E C 0.115 176.723 176.600 0.012 0.000 0.883 265 E CA 0.084 56.490 56.400 0.011 0.000 1.631 265 E CB -0.786 28.918 29.700 0.006 0.000 0.901 265 E HN 0.648 nan 8.360 nan 0.000 0.264 266 K N 1.480 121.887 120.400 0.013 0.000 2.374 266 K HA 0.061 2.476 4.320 -3.176 0.000 0.196 266 K C 1.270 177.876 176.600 0.010 0.000 1.023 266 K CA -0.143 56.152 56.287 0.013 0.000 1.103 266 K CB 0.278 32.786 32.500 0.012 0.000 0.848 266 K HN 0.326 nan 8.250 nan 0.000 0.528 267 N N 2.439 121.143 118.700 0.007 0.000 2.166 267 N HA -0.110 2.724 4.740 -3.176 0.000 0.186 267 N C 0.415 175.927 175.510 0.003 0.000 1.019 267 N CA 0.401 53.454 53.050 0.005 0.000 0.856 267 N CB -0.173 38.315 38.487 0.002 0.000 0.993 267 N HN 0.245 nan 8.380 nan 0.000 0.426 268 L N 2.911 124.134 121.223 -0.000 0.000 2.919 268 L HA -0.090 2.345 4.340 -3.176 0.000 0.289 268 L C 0.972 177.840 176.870 -0.003 0.000 1.050 268 L CA -0.006 54.830 54.840 -0.008 0.000 1.071 268 L CB -0.481 41.574 42.059 -0.006 0.000 1.499 268 L HN 0.223 nan 8.230 nan 0.000 0.443 269 R N 3.009 123.498 120.500 -0.019 0.000 2.500 269 R HA 0.040 2.475 4.340 -3.176 0.000 0.281 269 R C 1.284 177.591 176.300 0.013 0.000 0.953 269 R CA 1.207 57.300 56.100 -0.011 0.000 1.108 269 R CB 0.149 30.399 30.300 -0.083 0.000 0.901 269 R HN 0.867 nan 8.270 nan 0.000 0.410 270 G N 3.111 111.997 108.800 0.144 0.000 2.254 270 G HA2 -0.305 1.749 3.960 -3.176 0.000 0.225 270 G HA3 -0.305 1.749 3.960 -3.176 0.000 0.225 270 G C 0.283 175.268 174.900 0.142 0.000 1.003 270 G CA 0.150 45.393 45.100 0.237 0.000 0.622 270 G HN 0.666 nan 8.290 nan 0.000 0.507 271 R N 0.513 121.062 120.500 0.082 0.000 2.694 271 R HA 0.581 3.016 4.340 -3.176 0.000 0.268 271 R C -0.215 176.101 176.300 0.027 0.000 1.061 271 R CA 0.030 56.167 56.100 0.063 0.000 1.133 271 R CB 0.088 30.414 30.300 0.042 0.000 1.020 271 R HN 0.299 nan 8.270 nan 0.000 0.475 272 I N 2.526 123.093 120.570 -0.006 0.000 2.418 272 I HA 0.133 2.398 4.170 -3.176 0.000 0.287 272 I C -0.577 175.363 176.117 -0.296 0.000 1.008 272 I CA -0.822 60.358 61.300 -0.199 0.000 1.104 272 I CB 1.988 39.786 38.000 -0.338 0.000 1.264 272 I HN 0.581 nan 8.210 nan 0.000 0.438 273 E N 6.253 126.303 120.200 -0.250 0.000 2.259 273 E HA 0.299 2.744 4.350 -3.176 0.000 0.281 273 E C -1.644 174.801 176.600 -0.258 0.000 1.037 273 E CA 0.158 56.475 56.400 -0.138 0.000 0.854 273 E CB 0.476 30.140 29.700 -0.060 0.000 1.051 273 E HN 0.235 nan 8.360 nan 0.000 0.409 274 F N 3.767 123.757 119.950 0.067 0.000 2.427 274 F HA 0.362 2.984 4.527 -3.176 0.000 0.346 274 F C 0.085 175.915 175.800 0.050 0.000 1.120 274 F CA -0.659 57.381 58.000 0.067 0.000 1.033 274 F CB 1.750 40.809 39.000 0.098 0.000 1.126 274 F HN 0.344 nan 8.300 nan 0.000 0.462 275 Q N 5.886 125.806 119.800 0.199 0.000 2.414 275 Q HA 0.345 2.779 4.340 -3.176 0.000 0.256 275 Q C -2.638 173.426 176.000 0.107 0.000 0.974 275 Q CA -2.366 53.510 55.803 0.123 0.000 0.723 275 Q CB 1.858 30.635 28.738 0.066 0.000 1.281 275 Q HN 0.174 nan 8.270 nan 0.000 0.470 276 P HA 0.143 nan 4.420 nan 0.000 0.270 276 P C -2.551 174.845 177.300 0.160 0.000 1.223 276 P CA -1.041 62.120 63.100 0.102 0.000 0.785 276 P CB 0.256 31.996 31.700 0.066 0.000 0.923 277 P HA 0.101 nan 4.420 nan 0.000 0.272 277 P C 0.232 177.576 177.300 0.072 0.000 1.230 277 P CA -0.155 63.054 63.100 0.181 0.000 0.788 277 P CB 0.575 32.356 31.700 0.136 0.000 0.949 278 L N 1.205 122.410 121.223 -0.029 0.000 2.615 278 L HA -0.079 2.355 4.340 -3.176 0.000 0.284 278 L C 1.597 178.425 176.870 -0.071 0.000 1.237 278 L CA 0.288 55.018 54.840 -0.184 0.000 0.905 278 L CB -0.465 41.449 42.059 -0.242 0.000 1.149 278 L HN 0.465 nan 8.230 nan 0.000 0.499 279 K N 5.133 125.490 120.400 -0.072 0.000 2.380 279 K HA 0.108 2.523 4.320 -3.176 0.000 0.267 279 K C -1.779 174.782 176.600 -0.064 0.000 0.990 279 K CA -1.213 55.047 56.287 -0.046 0.000 0.946 279 K CB 0.195 32.673 32.500 -0.037 0.000 0.937 279 K HN 0.289 nan 8.250 nan 0.000 0.491 280 P HA -0.269 nan 4.420 nan 0.000 0.217 280 P C 1.585 178.836 177.300 -0.082 0.000 1.162 280 P CA 1.149 64.222 63.100 -0.045 0.000 0.901 280 P CB -0.067 31.618 31.700 -0.025 0.000 0.793 281 V N -0.485 119.380 119.914 -0.082 0.000 2.660 281 V HA -0.201 2.014 4.120 -3.176 0.000 0.257 281 V C 2.436 178.426 176.094 -0.173 0.000 1.088 281 V CA 1.383 63.621 62.300 -0.103 0.000 1.106 281 V CB -0.937 30.838 31.823 -0.079 0.000 0.686 281 V HN -0.029 nan 8.190 nan 0.000 0.481 282 I N -0.806 119.634 120.570 -0.216 0.000 2.385 282 I HA -0.118 2.146 4.170 -3.176 0.000 0.244 282 I C 2.462 178.236 176.117 -0.570 0.000 1.089 282 I CA 1.236 62.311 61.300 -0.374 0.000 1.410 282 I CB -1.401 36.392 38.000 -0.345 0.000 1.117 282 I HN 0.382 nan 8.210 nan 0.000 0.429 283 Q N 0.630 120.235 119.800 -0.326 0.000 2.234 283 Q HA -0.210 2.224 4.340 -3.176 0.000 0.206 283 Q C 1.554 177.464 176.000 -0.151 0.000 0.980 283 Q CA 1.293 56.993 55.803 -0.171 0.000 0.869 283 Q CB -0.125 28.651 28.738 0.063 0.000 0.912 283 Q HN 0.511 nan 8.270 nan 0.000 0.436 284 D N 0.993 121.293 120.400 -0.168 0.000 2.117 284 D HA -0.090 2.645 4.640 -3.176 0.000 0.198 284 D C 1.769 178.000 176.300 -0.116 0.000 0.982 284 D CA 1.246 55.189 54.000 -0.094 0.000 0.828 284 D CB -0.158 40.595 40.800 -0.079 0.000 0.967 284 D HN 0.244 nan 8.370 nan 0.000 0.464 285 A N 0.193 122.872 122.820 -0.234 0.000 2.186 285 A HA -0.126 2.288 4.320 -3.176 0.000 0.219 285 A C 1.858 179.406 177.584 -0.059 0.000 1.159 285 A CA 0.562 52.494 52.037 -0.174 0.000 0.680 285 A CB -1.181 17.694 19.000 -0.208 0.000 0.787 285 A HN 0.225 nan 8.150 nan 0.000 0.467 286 F N -0.197 119.769 119.950 0.027 0.000 2.546 286 F HA -0.118 2.501 4.527 -3.180 0.000 0.298 286 F C 0.849 176.651 175.800 0.003 0.000 1.120 286 F CA 0.556 58.589 58.000 0.055 0.000 1.456 286 F CB 0.034 39.048 39.000 0.024 0.000 1.088 286 F HN 0.224 nan 8.300 nan 0.000 0.572 287 D N -0.405 120.075 120.400 0.133 0.000 2.358 287 D HA 0.042 2.777 4.640 -3.176 0.000 0.224 287 D C 0.800 177.092 176.300 -0.014 0.000 1.123 287 D CA 0.325 54.356 54.000 0.052 0.000 0.833 287 D CB 0.061 40.886 40.800 0.042 0.000 0.946 287 D HN 0.178 nan 8.370 nan 0.000 0.505 288 K N 0.082 120.449 120.400 -0.055 0.000 2.553 288 K HA 0.292 2.707 4.320 -3.176 0.000 0.205 288 K C 0.141 176.613 176.600 -0.214 0.000 1.168 288 K CA 0.136 56.357 56.287 -0.110 0.000 1.043 288 K CB 1.241 33.688 32.500 -0.089 0.000 0.967 288 K HN 0.145 nan 8.250 nan 0.000 0.585 289 I N -4.338 116.035 120.570 -0.328 0.000 3.205 289 I HA 0.276 2.541 4.170 -3.176 0.000 0.326 289 I C -1.260 174.549 176.117 -0.513 0.000 1.417 289 I CA -1.265 59.727 61.300 -0.512 0.000 0.929 289 I CB 0.611 38.209 38.000 -0.669 0.000 1.220 289 I HN -0.068 nan 8.210 nan 0.000 0.461 290 H N 0.266 119.303 119.070 -0.055 0.000 4.512 290 H HA -0.173 2.479 4.556 -3.174 0.000 0.252 290 H C -0.757 174.614 175.328 0.072 0.000 0.544 290 H CA 0.873 56.937 56.048 0.026 0.000 0.682 290 H CB -0.813 28.982 29.762 0.055 0.000 0.983 290 H HN 1.482 nan 8.280 nan 0.000 0.303 291 F N -1.609 118.407 119.950 0.110 0.000 2.286 291 F HA 0.021 2.642 4.527 -3.177 0.000 0.503 291 F C 0.060 175.942 175.800 0.137 0.000 1.250 291 F CA 0.731 58.803 58.000 0.119 0.000 1.636 291 F CB -0.869 38.253 39.000 0.204 0.000 2.520 291 F HN 0.962 nan 8.300 nan 0.000 0.717 292 G N 2.055 110.705 108.800 -0.249 0.000 2.322 292 G HA2 0.693 2.748 3.960 -3.176 0.000 0.309 292 G HA3 0.693 2.748 3.960 -3.176 0.000 0.309 292 G C 0.095 174.647 174.900 -0.581 0.000 1.121 292 G CA -0.115 44.719 45.100 -0.443 0.000 0.886 292 G HN 1.364 nan 8.290 nan 0.000 0.447 293 A N 3.097 125.615 122.820 -0.503 0.000 3.041 293 A HA 0.462 2.877 4.320 -3.176 0.000 0.307 293 A C -0.025 177.439 177.584 -0.201 0.000 1.116 293 A CA -0.448 51.355 52.037 -0.389 0.000 1.001 293 A CB -0.093 18.656 19.000 -0.419 0.000 1.112 293 A HN 0.660 nan 8.150 nan 0.000 0.556 294 L N 1.120 122.208 121.223 -0.224 0.000 2.313 294 L HA 0.681 3.116 4.340 -3.176 0.000 0.282 294 L C 0.439 177.306 176.870 -0.006 0.000 1.092 294 L CA 0.342 55.131 54.840 -0.086 0.000 0.831 294 L CB 0.864 42.875 42.059 -0.079 0.000 1.159 294 L HN 0.274 nan 8.230 nan 0.000 0.442 295 G N 4.229 113.065 108.800 0.059 0.000 2.600 295 G HA2 0.608 2.662 3.960 -3.176 0.000 0.303 295 G HA3 0.608 2.662 3.960 -3.176 0.000 0.303 295 G C -1.308 173.652 174.900 0.100 0.000 1.253 295 G CA -0.751 44.419 45.100 0.118 0.000 0.974 295 G HN 0.556 nan 8.290 nan 0.000 0.483 296 K N -0.933 119.524 120.400 0.095 0.000 2.395 296 K HA 0.722 3.137 4.320 -3.176 0.000 0.247 296 K C -1.521 175.023 176.600 -0.093 0.000 0.973 296 K CA -0.813 55.483 56.287 0.014 0.000 0.828 296 K CB 2.972 35.507 32.500 0.057 0.000 1.272 296 K HN 0.252 nan 8.250 nan 0.000 0.439 297 V N 2.640 122.423 119.914 -0.218 0.000 2.777 297 V HA 0.352 2.567 4.120 -3.176 0.000 0.306 297 V C -1.161 174.600 176.094 -0.555 0.000 1.112 297 V CA -0.920 61.112 62.300 -0.446 0.000 0.917 297 V CB 1.931 33.362 31.823 -0.654 0.000 1.018 297 V HN 0.599 nan 8.190 nan 0.000 0.426 298 I N 4.666 124.857 120.570 -0.632 0.000 2.355 298 I HA 0.476 2.741 4.170 -3.176 0.000 0.288 298 I C -0.740 174.988 176.117 -0.648 0.000 0.999 298 I CA -0.525 60.431 61.300 -0.573 0.000 1.163 298 I CB 1.080 38.669 38.000 -0.684 0.000 1.316 298 I HN 0.416 nan 8.210 nan 0.000 0.454 299 F N 4.592 124.432 119.950 -0.185 0.000 2.361 299 F HA 0.381 3.001 4.527 -3.178 0.000 0.364 299 F C 0.744 176.403 175.800 -0.235 0.000 1.120 299 F CA -0.616 57.260 58.000 -0.206 0.000 1.102 299 F CB 0.767 39.757 39.000 -0.016 0.000 1.183 299 F HN 0.371 nan 8.300 nan 0.000 0.476 300 E N 3.903 123.980 120.200 -0.204 0.000 2.113 300 E HA 0.389 2.834 4.350 -3.176 0.000 0.273 300 E C -1.079 175.373 176.600 -0.247 0.000 0.924 300 E CA -0.584 55.774 56.400 -0.070 0.000 0.764 300 E CB 1.233 30.944 29.700 0.019 0.000 1.104 300 E HN 0.304 nan 8.360 nan 0.000 0.406 301 F N 1.020 120.973 119.950 0.005 0.000 2.440 301 F HA 0.174 2.794 4.527 -3.177 0.000 0.328 301 F C 1.845 177.642 175.800 -0.005 0.000 1.070 301 F CA -0.691 57.307 58.000 -0.002 0.000 1.011 301 F CB 0.959 40.045 39.000 0.143 0.000 1.226 301 F HN 0.504 nan 8.300 nan 0.000 0.491 302 E N 0.540 120.804 120.200 0.105 0.000 2.058 302 E HA -0.160 2.284 4.350 -3.176 0.000 0.194 302 E C -0.199 176.516 176.600 0.192 0.000 0.997 302 E CA 1.517 57.992 56.400 0.125 0.000 0.801 302 E CB 0.254 30.001 29.700 0.078 0.000 0.746 302 E HN 0.765 nan 8.360 nan 0.000 0.450 303 E N -1.603 118.675 120.200 0.131 0.000 2.437 303 E HA 0.253 2.698 4.350 -3.176 0.000 0.280 303 E C -1.519 174.954 176.600 -0.211 0.000 1.044 303 E CA -0.948 55.447 56.400 -0.008 0.000 0.826 303 E CB 0.912 30.595 29.700 -0.029 0.000 1.358 303 E HN 0.061 nan 8.360 nan 0.000 0.459 304 C N 1.365 120.368 119.300 -0.496 0.000 2.514 304 C HA 0.563 3.118 4.460 -3.176 0.000 0.392 304 C C 0.949 175.525 174.990 -0.689 0.000 1.294 304 C CA 0.089 58.424 59.018 -1.138 0.000 1.957 304 C CB -1.132 25.877 27.740 -1.220 0.000 2.541 304 C HN 0.759 nan 8.230 nan 0.000 0.569 305 C N 3.604 122.539 119.300 -0.609 0.000 3.395 305 C HA 0.534 3.089 4.460 -3.176 0.000 0.264 305 C C -0.667 174.299 174.990 -0.041 0.000 2.141 305 C CA -0.785 58.107 59.018 -0.211 0.000 1.689 305 C CB -2.215 25.494 27.740 -0.052 0.000 3.416 305 C HN 0.972 nan 8.230 nan 0.000 0.432 306 W N 0.885 122.132 121.300 -0.089 0.000 2.882 306 W HA 0.771 3.526 4.660 -3.175 0.000 0.345 306 W C -0.040 176.452 176.519 -0.046 0.000 1.125 306 W CA -0.759 56.543 57.345 -0.072 0.000 1.167 306 W CB 0.081 29.484 29.460 -0.095 0.000 1.431 306 W HN 0.233 nan 8.180 nan 0.000 0.543 307 S N 1.544 117.386 115.700 0.237 0.000 2.579 307 S HA 0.177 2.742 4.470 -3.176 0.000 0.275 307 S C -0.038 174.698 174.600 0.225 0.000 1.345 307 S CA -0.305 57.977 58.200 0.136 0.000 1.031 307 S CB 0.489 63.748 63.200 0.098 0.000 0.892 307 S HN 0.568 nan 8.310 nan 0.000 0.529 308 N N 1.456 120.219 118.700 0.105 0.000 2.761 308 N HA 0.135 2.969 4.740 -3.176 0.000 0.317 308 N C 0.665 176.217 175.510 0.071 0.000 1.546 308 N CA -0.107 53.014 53.050 0.119 0.000 1.015 308 N CB 0.679 39.199 38.487 0.056 0.000 1.343 308 N HN 0.876 nan 8.380 nan 0.000 0.504 309 E N -0.021 120.217 120.200 0.062 0.000 2.204 309 E HA -0.055 2.390 4.350 -3.176 0.000 0.194 309 E C -0.064 176.546 176.600 0.017 0.000 0.989 309 E CA 0.552 56.971 56.400 0.031 0.000 0.824 309 E CB 0.389 30.102 29.700 0.022 0.000 0.756 309 E HN 0.171 nan 8.360 nan 0.000 0.477 310 S N -1.887 113.821 115.700 0.013 0.000 2.565 310 S HA 0.183 2.747 4.470 -3.176 0.000 0.269 310 S C 0.196 174.780 174.600 -0.027 0.000 1.153 310 S CA -0.144 58.046 58.200 -0.017 0.000 0.835 310 S CB 1.447 64.610 63.200 -0.061 0.000 1.122 310 S HN 0.125 nan 8.310 nan 0.000 0.462 311 S N 1.437 117.111 115.700 -0.043 0.000 2.524 311 S HA 0.343 2.907 4.470 -3.176 0.000 0.216 311 S C -0.042 174.460 174.600 -0.164 0.000 0.987 311 S CA -0.062 58.107 58.200 -0.053 0.000 0.909 311 S CB -0.157 63.034 63.200 -0.016 0.000 0.781 311 S HN 0.472 nan 8.310 nan 0.000 0.521 312 K N 1.796 122.028 120.400 -0.280 0.000 2.394 312 K HA 0.596 3.011 4.320 -3.176 0.000 0.260 312 K C -1.095 175.141 176.600 -0.606 0.000 0.967 312 K CA -0.383 55.575 56.287 -0.549 0.000 0.855 312 K CB 1.409 33.268 32.500 -1.068 0.000 1.101 312 K HN 0.328 nan 8.250 nan 0.000 0.433 313 I N 1.807 122.111 120.570 -0.443 0.000 2.498 313 I HA 0.430 2.695 4.170 -3.176 0.000 0.290 313 I C -0.636 175.412 176.117 -0.115 0.000 1.032 313 I CA -1.336 59.762 61.300 -0.337 0.000 1.073 313 I CB 2.296 40.055 38.000 -0.400 0.000 1.251 313 I HN 0.009 nan 8.210 nan 0.000 0.426 314 V N 3.575 123.446 119.914 -0.072 0.000 2.525 314 V HA 0.391 2.605 4.120 -3.176 0.000 0.299 314 V C -0.017 176.197 176.094 0.199 0.000 1.034 314 V CA -0.590 61.820 62.300 0.184 0.000 0.863 314 V CB 2.178 34.166 31.823 0.274 0.000 0.999 314 V HN 0.864 nan 8.190 nan 0.000 0.423 315 T N 3.477 118.163 114.554 0.220 0.000 2.806 315 T HA 0.741 3.186 4.350 -3.176 0.000 0.290 315 T C -0.536 174.333 174.700 0.282 0.000 0.966 315 T CA -0.614 61.608 62.100 0.204 0.000 1.060 315 T CB 1.096 69.971 68.868 0.012 0.000 0.927 315 T HN 0.171 nan 8.240 nan 0.000 0.485 316 L N 2.667 124.086 121.223 0.327 0.000 2.350 316 L HA 0.605 3.039 4.340 -3.176 0.000 0.275 316 L C 0.945 177.990 176.870 0.293 0.000 1.099 316 L CA -0.485 54.516 54.840 0.268 0.000 0.808 316 L CB 0.257 42.446 42.059 0.216 0.000 1.149 316 L HN 0.981 nan 8.230 nan 0.000 0.442 317 A N 2.394 125.314 122.820 0.167 0.000 2.445 317 A HA 0.266 2.681 4.320 -3.176 0.000 0.242 317 A C 0.252 177.917 177.584 0.135 0.000 1.075 317 A CA -0.506 51.625 52.037 0.157 0.000 0.777 317 A CB -0.219 18.789 19.000 0.013 0.000 1.013 317 A HN 0.753 nan 8.150 nan 0.000 0.493 318 N N 0.972 119.751 118.700 0.132 0.000 2.356 318 N HA 0.158 2.992 4.740 -3.176 0.000 0.252 318 N C 0.318 175.838 175.510 0.017 0.000 1.241 318 N CA 0.862 53.938 53.050 0.043 0.000 0.861 318 N CB 0.495 38.981 38.487 -0.002 0.000 1.075 318 N HN 0.772 nan 8.380 nan 0.000 0.461 319 S N -0.560 115.150 115.700 0.015 0.000 2.648 319 S HA 0.796 3.360 4.470 -3.176 0.000 0.305 319 S C -0.114 174.457 174.600 -0.049 0.000 1.094 319 S CA -0.848 57.319 58.200 -0.054 0.000 0.983 319 S CB 1.782 64.923 63.200 -0.098 0.000 1.101 319 S HN 0.551 nan 8.310 nan 0.000 0.514 320 T N -0.836 113.708 114.554 -0.016 0.000 2.907 320 T HA 0.493 2.938 4.350 -3.176 0.000 0.292 320 T C 0.459 175.182 174.700 0.039 0.000 1.043 320 T CA -0.953 61.159 62.100 0.020 0.000 1.003 320 T CB 1.280 70.182 68.868 0.058 0.000 1.084 320 T HN 0.426 nan 8.240 nan 0.000 0.483 321 N N 1.157 119.860 118.700 0.004 0.000 2.166 321 N HA -0.123 2.711 4.740 -3.176 0.000 0.186 321 N C 1.849 177.369 175.510 0.017 0.000 1.019 321 N CA 1.475 54.521 53.050 -0.006 0.000 0.856 321 N CB -0.076 38.401 38.487 -0.015 0.000 0.993 321 N HN 0.864 nan 8.380 nan 0.000 0.426 322 E N -0.121 120.103 120.200 0.039 0.000 2.347 322 E HA -0.142 2.303 4.350 -3.176 0.000 0.196 322 E C 1.761 178.400 176.600 0.065 0.000 1.008 322 E CA 0.313 56.733 56.400 0.034 0.000 0.852 322 E CB -0.728 28.992 29.700 0.034 0.000 0.783 322 E HN 0.359 nan 8.360 nan 0.000 0.505 323 F N 2.720 122.660 119.950 -0.017 0.000 2.134 323 F HA -0.181 2.441 4.527 -3.176 0.000 0.299 323 F C 2.044 177.831 175.800 -0.021 0.000 1.097 323 F CA 1.084 59.084 58.000 0.001 0.000 1.264 323 F CB -0.312 38.699 39.000 0.019 0.000 1.001 323 F HN -0.180 nan 8.300 nan 0.000 0.479 324 V N 2.112 122.003 119.914 -0.038 0.000 2.214 324 V HA -0.357 1.857 4.120 -3.176 0.000 0.245 324 V C 2.546 178.522 176.094 -0.197 0.000 1.047 324 V CA 2.457 64.666 62.300 -0.152 0.000 0.998 324 V CB -1.180 30.608 31.823 -0.058 0.000 0.633 324 V HN 0.441 nan 8.190 nan 0.000 0.446 325 E N 0.360 120.489 120.200 -0.118 0.000 2.065 325 E HA -0.295 2.149 4.350 -3.176 0.000 0.201 325 E C 2.207 178.721 176.600 -0.143 0.000 1.016 325 E CA 2.180 58.514 56.400 -0.110 0.000 0.818 325 E CB -0.701 28.958 29.700 -0.068 0.000 0.749 325 E HN 0.578 nan 8.360 nan 0.000 0.453 326 I N 1.251 121.731 120.570 -0.151 0.000 2.399 326 I HA -0.252 2.013 4.170 -3.176 0.000 0.254 326 I C 2.392 178.368 176.117 -0.236 0.000 1.146 326 I CA 0.926 62.129 61.300 -0.161 0.000 1.412 326 I CB -0.114 37.809 38.000 -0.129 0.000 1.076 326 I HN 0.003 nan 8.210 nan 0.000 0.432 327 V N 0.139 119.847 119.914 -0.343 0.000 2.446 327 V HA -0.094 2.120 4.120 -3.176 0.000 0.244 327 V C 2.311 178.258 176.094 -0.245 0.000 1.039 327 V CA 1.172 63.255 62.300 -0.362 0.000 1.045 327 V CB -0.535 30.983 31.823 -0.509 0.000 0.681 327 V HN 0.320 nan 8.190 nan 0.000 0.459 328 R N 0.610 120.986 120.500 -0.207 0.000 2.328 328 R HA -0.008 2.426 4.340 -3.176 0.000 0.207 328 R C 1.403 177.620 176.300 -0.137 0.000 1.056 328 R CA 0.860 56.862 56.100 -0.163 0.000 1.016 328 R CB -0.698 29.521 30.300 -0.134 0.000 0.872 328 R HN 0.667 nan 8.270 nan 0.000 0.471 329 N N -0.049 118.571 118.700 -0.134 0.000 2.407 329 N HA 0.100 2.935 4.740 -3.176 0.000 0.182 329 N C 0.090 175.538 175.510 -0.103 0.000 1.079 329 N CA -0.066 52.920 53.050 -0.106 0.000 0.882 329 N CB 0.321 38.755 38.487 -0.089 0.000 1.106 329 N HN -0.006 nan 8.380 nan 0.000 0.461 330 A N 1.581 124.329 122.820 -0.120 0.000 2.567 330 A HA -0.073 2.342 4.320 -3.176 0.000 0.240 330 A C 0.809 178.335 177.584 -0.097 0.000 1.053 330 A CA 0.435 52.408 52.037 -0.107 0.000 0.755 330 A CB 0.145 19.069 19.000 -0.127 0.000 0.978 330 A HN 0.309 nan 8.150 nan 0.000 0.507 331 E N 0.991 121.145 120.200 -0.077 0.000 2.318 331 E HA -0.025 2.420 4.350 -3.176 0.000 0.193 331 E C 0.326 176.885 176.600 -0.068 0.000 0.998 331 E CA 0.786 57.144 56.400 -0.069 0.000 0.859 331 E CB 0.093 29.761 29.700 -0.053 0.000 0.812 331 E HN 0.903 nan 8.360 nan 0.000 0.492 332 N N -1.408 117.251 118.700 -0.068 0.000 3.348 332 N HA -0.034 2.801 4.740 -3.176 0.000 0.233 332 N C 0.239 175.710 175.510 -0.065 0.000 1.440 332 N CA -0.534 52.478 53.050 -0.063 0.000 0.887 332 N CB 0.504 38.964 38.487 -0.046 0.000 1.410 332 N HN -0.088 nan 8.380 nan 0.000 0.502 333 L N 0.266 121.452 121.223 -0.062 0.000 2.064 333 L HA -0.276 2.159 4.340 -3.176 0.000 0.216 333 L C 1.206 178.046 176.870 -0.050 0.000 1.077 333 L CA 2.364 57.166 54.840 -0.064 0.000 0.766 333 L CB -0.394 41.634 42.059 -0.052 0.000 0.890 333 L HN 0.595 nan 8.230 nan 0.000 0.435 334 D N -0.587 119.793 120.400 -0.035 0.000 2.077 334 D HA -0.243 2.492 4.640 -3.176 0.000 0.196 334 D C 1.980 178.266 176.300 -0.023 0.000 0.986 334 D CA 1.251 55.238 54.000 -0.022 0.000 0.829 334 D CB -0.105 40.686 40.800 -0.016 0.000 0.983 334 D HN 0.288 nan 8.370 nan 0.000 0.453 335 E N -0.442 119.739 120.200 -0.032 0.000 2.455 335 E HA -0.174 2.271 4.350 -3.176 0.000 0.202 335 E C 1.600 178.175 176.600 -0.042 0.000 1.045 335 E CA 0.299 56.679 56.400 -0.034 0.000 0.872 335 E CB 0.046 29.721 29.700 -0.042 0.000 0.792 335 E HN 0.127 nan 8.360 nan 0.000 0.542 336 L N 0.292 121.485 121.223 -0.050 0.000 2.200 336 L HA 0.008 2.443 4.340 -3.176 0.000 0.200 336 L C 1.554 178.415 176.870 -0.016 0.000 1.072 336 L CA 1.488 56.291 54.840 -0.062 0.000 0.787 336 L CB -0.086 41.913 42.059 -0.101 0.000 0.957 336 L HN -0.014 nan 8.230 nan 0.000 0.459 337 D N -0.937 119.463 120.400 -0.000 0.000 2.117 337 D HA -0.187 2.547 4.640 -3.176 0.000 0.197 337 D C 2.175 178.512 176.300 0.061 0.000 0.987 337 D CA 1.572 55.606 54.000 0.057 0.000 0.829 337 D CB 0.042 40.872 40.800 0.050 0.000 0.961 337 D HN 0.393 nan 8.370 nan 0.000 0.460 338 S N 0.238 115.955 115.700 0.029 0.000 2.348 338 S HA -0.145 2.420 4.470 -3.176 0.000 0.221 338 S C 2.132 176.748 174.600 0.025 0.000 1.033 338 S CA 0.972 59.187 58.200 0.024 0.000 1.010 338 S CB -0.169 63.036 63.200 0.009 0.000 0.891 338 S HN 0.114 nan 8.310 nan 0.000 0.442 339 M N 0.748 120.356 119.600 0.013 0.000 2.202 339 M HA -0.060 2.514 4.480 -3.176 0.000 0.262 339 M C 1.747 178.070 176.300 0.038 0.000 1.063 339 M CA 1.223 56.529 55.300 0.010 0.000 1.097 339 M CB -0.473 32.117 32.600 -0.017 0.000 1.382 339 M HN 0.337 nan 8.290 nan 0.000 0.413 340 L N -0.296 120.969 121.223 0.069 0.000 2.633 340 L HA -0.099 2.335 4.340 -3.176 0.000 0.235 340 L C 0.385 177.315 176.870 0.099 0.000 1.163 340 L CA 0.338 55.255 54.840 0.128 0.000 0.859 340 L CB -0.547 41.643 42.059 0.218 0.000 0.973 340 L HN 0.216 nan 8.230 nan 0.000 0.451 341 E N 1.473 121.711 120.200 0.064 0.000 1.775 341 E HA 0.138 2.582 4.350 -3.176 0.000 0.266 341 E C 0.119 176.743 176.600 0.041 0.000 1.191 341 E CA 0.005 56.432 56.400 0.045 0.000 1.048 341 E CB 0.310 30.029 29.700 0.032 0.000 1.081 341 E HN 0.266 nan 8.360 nan 0.000 0.434 350 S N -0.550 115.174 115.700 0.039 0.000 3.650 350 S HA -0.086 2.479 4.470 -3.176 0.000 0.800 350 S C -0.424 174.217 174.600 0.069 0.000 1.435 350 S CA 0.246 58.473 58.200 0.045 0.000 1.244 350 S CB -0.631 62.593 63.200 0.039 0.000 0.437 350 S HN 1.051 nan 8.310 nan 0.000 0.571 351 V N 4.191 124.156 119.914 0.085 0.000 2.713 351 V HA 0.843 3.058 4.120 -3.176 0.000 0.307 351 V C 0.952 177.168 176.094 0.203 0.000 1.052 351 V CA 0.347 62.727 62.300 0.135 0.000 0.967 351 V CB 1.560 33.469 31.823 0.144 0.000 1.019 351 V HN 1.319 nan 8.190 nan 0.000 0.459 352 T N -1.269 113.421 114.554 0.227 0.000 2.618 352 T HA 0.181 2.626 4.350 -3.176 0.000 0.286 352 T C 0.988 175.606 174.700 -0.137 0.000 1.027 352 T CA 0.134 62.328 62.100 0.157 0.000 1.063 352 T CB 0.998 69.902 68.868 0.060 0.000 1.440 352 T HN 0.826 nan 8.240 nan 0.000 0.505 353 C N -1.759 117.084 119.300 -0.763 0.000 2.562 353 C HA 0.366 2.921 4.460 -3.176 0.000 0.266 353 C C 1.336 175.996 174.990 -0.551 0.000 1.382 353 C CA -0.653 57.773 59.018 -0.986 0.000 1.742 353 C CB -2.111 24.872 27.740 -1.262 0.000 1.812 353 C HN 0.724 nan 8.230 nan 0.000 0.559 354 W N 0.990 122.201 121.300 -0.149 0.000 3.123 354 W HA 0.324 3.078 4.660 -3.177 0.000 0.383 354 W C 1.987 178.492 176.519 -0.023 0.000 1.102 354 W CA -0.308 57.000 57.345 -0.062 0.000 1.865 354 W CB 0.019 29.443 29.460 -0.060 0.000 1.111 354 W HN 0.088 nan 8.180 nan 0.000 0.621 355 S N 0.597 116.389 115.700 0.153 0.000 2.558 355 S HA -0.001 2.563 4.470 -3.176 0.000 0.217 355 S C 0.613 175.265 174.600 0.087 0.000 0.975 355 S CA 0.426 58.702 58.200 0.126 0.000 0.912 355 S CB -0.102 63.175 63.200 0.129 0.000 0.776 355 S HN 0.236 nan 8.310 nan 0.000 0.526 356 Q N 0.163 120.013 119.800 0.083 0.000 2.522 356 Q HA 0.397 2.832 4.340 -3.176 0.000 0.285 356 Q C -3.572 172.467 176.000 0.067 0.000 0.982 356 Q CA -2.273 53.554 55.803 0.040 0.000 0.805 356 Q CB 0.548 29.322 28.738 0.060 0.000 1.457 356 Q HN -0.093 nan 8.270 nan 0.000 0.394 357 P HA 0.336 nan 4.420 nan 0.000 0.272 357 P C -0.648 176.749 177.300 0.161 0.000 1.223 357 P CA -0.212 62.963 63.100 0.125 0.000 0.784 357 P CB 0.866 32.637 31.700 0.118 0.000 0.923 358 L N 2.444 123.796 121.223 0.216 0.000 2.386 358 L HA 0.453 2.888 4.340 -3.176 0.000 0.271 358 L C -0.327 176.722 176.870 0.299 0.000 0.993 358 L CA -0.995 53.969 54.840 0.206 0.000 0.819 358 L CB 1.844 44.058 42.059 0.258 0.000 1.294 358 L HN 0.289 nan 8.230 nan 0.000 0.414 359 F N 3.731 123.661 119.950 -0.033 0.000 2.385 359 F HA 0.554 3.186 4.527 -3.158 0.000 0.360 359 F C -1.212 174.464 175.800 -0.206 0.000 1.122 359 F CA -1.170 56.828 58.000 -0.004 0.000 1.090 359 F CB 0.593 39.621 39.000 0.046 0.000 1.150 359 F HN 0.082 nan 8.300 nan 0.000 0.472 360 F N 5.723 125.388 119.950 -0.476 0.000 2.426 360 F HA 0.476 3.098 4.527 -3.174 0.000 0.348 360 F C -0.417 174.935 175.800 -0.746 0.000 1.124 360 F CA -1.044 56.575 58.000 -0.635 0.000 1.008 360 F CB 1.684 40.276 39.000 -0.681 0.000 1.139 360 F HN 0.087 nan 8.300 nan 0.000 0.452 361 V N 3.768 123.396 119.914 -0.477 0.000 2.368 361 V HA 0.115 2.330 4.120 -3.176 0.000 0.266 361 V C 0.271 176.336 176.094 -0.047 0.000 1.045 361 V CA -0.792 61.318 62.300 -0.316 0.000 0.899 361 V CB 0.884 32.545 31.823 -0.270 0.000 1.006 361 V HN 0.774 nan 8.190 nan 0.000 0.470 362 N N 5.004 123.689 118.700 -0.026 0.000 2.605 362 N HA 0.174 3.009 4.740 -3.176 0.000 0.258 362 N C 1.041 176.675 175.510 0.206 0.000 1.156 362 N CA -0.454 52.749 53.050 0.255 0.000 1.008 362 N CB 0.460 39.056 38.487 0.181 0.000 1.354 362 N HN 0.693 nan 8.380 nan 0.000 0.509 363 L N 1.882 123.234 121.223 0.214 0.000 2.261 363 L HA -0.171 2.264 4.340 -3.176 0.000 0.216 363 L C 2.584 179.540 176.870 0.142 0.000 1.114 363 L CA 0.590 55.492 54.840 0.103 0.000 0.777 363 L CB -0.471 41.672 42.059 0.140 0.000 0.910 363 L HN 0.545 nan 8.230 nan 0.000 0.440 364 S N 0.335 116.183 115.700 0.246 0.000 2.387 364 S HA -0.299 2.265 4.470 -3.176 0.000 0.230 364 S C 2.095 176.747 174.600 0.086 0.000 1.035 364 S CA 2.103 60.398 58.200 0.158 0.000 1.014 364 S CB -0.076 63.230 63.200 0.176 0.000 0.836 364 S HN 0.474 nan 8.310 nan 0.000 0.466 365 K N 0.188 120.655 120.400 0.112 0.000 2.076 365 K HA -0.039 2.376 4.320 -3.176 0.000 0.204 365 K C 2.262 178.894 176.600 0.055 0.000 1.051 365 K CA 1.599 57.928 56.287 0.070 0.000 0.949 365 K CB -0.314 32.233 32.500 0.078 0.000 0.726 365 K HN 0.547 nan 8.250 nan 0.000 0.443 366 S N -0.296 115.431 115.700 0.046 0.000 2.356 366 S HA -0.102 2.463 4.470 -3.176 0.000 0.219 366 S C 2.113 176.748 174.600 0.057 0.000 1.036 366 S CA 1.172 59.399 58.200 0.045 0.000 0.965 366 S CB -0.515 62.681 63.200 -0.007 0.000 0.864 366 S HN 0.501 nan 8.310 nan 0.000 0.471 367 T N -2.302 112.279 114.554 0.045 0.000 3.060 367 T HA 0.464 2.909 4.350 -3.176 0.000 0.249 367 T C 1.495 176.222 174.700 0.045 0.000 1.079 367 T CA 0.736 62.873 62.100 0.063 0.000 1.013 367 T CB -0.165 68.753 68.868 0.084 0.000 0.975 367 T HN 1.256 nan 8.240 nan 0.000 0.518 368 G N 0.661 109.486 108.800 0.041 0.000 2.147 368 G HA2 -0.189 1.866 3.960 -3.176 0.000 0.244 368 G HA3 -0.189 1.866 3.960 -3.176 0.000 0.244 368 G C -0.052 174.864 174.900 0.027 0.000 1.005 368 G CA 0.059 45.171 45.100 0.021 0.000 0.713 368 G HN 0.758 nan 8.290 nan 0.000 0.515 369 V N 0.723 120.678 119.914 0.069 0.000 2.378 369 V HA 0.685 2.899 4.120 -3.176 0.000 0.288 369 V C 1.060 177.260 176.094 0.176 0.000 1.016 369 V CA -0.201 62.162 62.300 0.105 0.000 0.840 369 V CB 1.479 33.370 31.823 0.112 0.000 0.994 369 V HN 1.141 nan 8.190 nan 0.000 0.431 370 A N 4.432 127.345 122.820 0.155 0.000 3.146 370 A HA 0.322 2.737 4.320 -3.176 0.000 0.260 370 A C 0.695 178.528 177.584 0.415 0.000 2.029 370 A CA 0.497 52.674 52.037 0.233 0.000 1.552 370 A CB -0.712 18.362 19.000 0.124 0.000 0.824 370 A HN 0.705 nan 8.150 nan 0.000 0.602 371 S N -0.720 115.192 115.700 0.355 0.000 2.627 371 S HA 0.816 3.381 4.470 -3.176 0.000 0.283 371 S C -1.069 173.674 174.600 0.238 0.000 1.127 371 S CA -0.535 57.840 58.200 0.291 0.000 0.863 371 S CB 1.131 64.547 63.200 0.360 0.000 1.121 371 S HN 0.277 nan 8.310 nan 0.000 0.479 372 F N 1.633 121.748 119.950 0.274 0.000 2.495 372 F HA 0.578 3.201 4.527 -3.174 0.000 0.327 372 F C 0.045 175.906 175.800 0.102 0.000 1.103 372 F CA -1.381 56.719 58.000 0.167 0.000 0.949 372 F CB 1.607 40.746 39.000 0.233 0.000 1.142 372 F HN 0.394 nan 8.300 nan 0.000 0.457 373 M N 5.665 125.366 119.600 0.167 0.000 2.072 373 M HA 0.436 3.011 4.480 -3.176 0.000 0.331 373 M C -1.251 174.945 176.300 -0.173 0.000 1.004 373 M CA -0.238 55.051 55.300 -0.017 0.000 0.952 373 M CB 0.922 33.497 32.600 -0.041 0.000 1.511 373 M HN 0.708 nan 8.290 nan 0.000 0.422 374 M N 4.560 124.039 119.600 -0.202 0.000 2.318 374 M HA 0.448 3.022 4.480 -3.176 0.000 0.347 374 M C -1.850 174.298 176.300 -0.253 0.000 1.175 374 M CA -0.752 54.273 55.300 -0.458 0.000 1.075 374 M CB 1.113 33.384 32.600 -0.549 0.000 1.614 374 M HN 0.694 nan 8.290 nan 0.000 0.456 375 L N 6.285 127.391 121.223 -0.196 0.000 2.296 375 L HA 0.597 3.032 4.340 -3.176 0.000 0.286 375 L C -0.304 176.600 176.870 0.056 0.000 1.023 375 L CA -0.043 54.829 54.840 0.054 0.000 0.812 375 L CB 1.739 43.995 42.059 0.328 0.000 1.223 375 L HN 0.802 nan 8.230 nan 0.000 0.421 376 M N 2.291 121.938 119.600 0.078 0.000 2.727 376 M HA 0.788 3.363 4.480 -3.176 0.000 0.300 376 M C -1.207 175.152 176.300 0.098 0.000 1.246 376 M CA -0.722 54.642 55.300 0.108 0.000 0.835 376 M CB 2.366 35.053 32.600 0.146 0.000 1.755 376 M HN 0.502 nan 8.290 nan 0.000 0.473 377 Q N 1.522 121.378 119.800 0.093 0.000 2.683 377 Q HA 0.803 3.238 4.340 -3.176 0.000 0.302 377 Q C -1.504 174.513 176.000 0.028 0.000 1.042 377 Q CA -0.782 55.057 55.803 0.060 0.000 0.773 377 Q CB 1.537 30.328 28.738 0.089 0.000 1.508 377 Q HN 0.972 nan 8.270 nan 0.000 0.459 378 A N 1.546 124.365 122.820 -0.003 0.000 2.407 378 A HA 0.446 2.861 4.320 -3.176 0.000 0.248 378 A C -1.689 175.900 177.584 0.009 0.000 1.082 378 A CA -0.901 51.119 52.037 -0.029 0.000 0.785 378 A CB -0.119 18.861 19.000 -0.034 0.000 1.020 378 A HN 0.707 nan 8.150 nan 0.000 0.489 379 P HA -0.025 nan 4.420 nan 0.000 0.249 379 P C 1.101 178.249 177.300 -0.253 0.000 1.229 379 P CA 0.105 63.122 63.100 -0.139 0.000 0.788 379 P CB 0.178 31.814 31.700 -0.106 0.000 1.072 380 L N 0.097 121.277 121.223 -0.072 0.000 2.549 380 L HA -0.026 2.409 4.340 -3.176 0.000 0.229 380 L C 1.224 178.088 176.870 -0.011 0.000 1.158 380 L CA 1.464 56.299 54.840 -0.009 0.000 0.842 380 L CB -1.149 40.977 42.059 0.110 0.000 0.952 380 L HN -0.049 nan 8.230 nan 0.000 0.452 381 T N 0.416 114.943 114.554 -0.045 0.000 2.755 381 T HA -0.065 2.380 4.350 -3.176 0.000 0.251 381 T C 1.667 176.351 174.700 -0.026 0.000 1.044 381 T CA 1.074 63.170 62.100 -0.006 0.000 1.154 381 T CB -0.110 68.753 68.868 -0.008 0.000 0.866 381 T HN 0.447 nan 8.240 nan 0.000 0.416 382 N N 1.829 120.477 118.700 -0.087 0.000 2.069 382 N HA -0.225 2.610 4.740 -3.176 0.000 0.196 382 N C 1.611 177.146 175.510 0.042 0.000 1.024 382 N CA 1.873 54.898 53.050 -0.042 0.000 0.869 382 N CB -0.909 37.531 38.487 -0.079 0.000 1.035 382 N HN 0.627 nan 8.380 nan 0.000 0.434 383 H N 0.595 119.654 119.070 -0.018 0.000 2.261 383 H HA 0.086 2.738 4.556 -3.172 0.000 0.301 383 H C 2.110 177.386 175.328 -0.087 0.000 1.067 383 H CA 0.631 56.643 56.048 -0.060 0.000 1.297 383 H CB 0.074 29.782 29.762 -0.090 0.000 1.377 383 H HN 0.027 nan 8.280 nan 0.000 0.492 384 I N 1.642 122.234 120.570 0.035 0.000 2.399 384 I HA -0.234 2.030 4.170 -3.176 0.000 0.254 384 I C 1.794 177.926 176.117 0.025 0.000 1.146 384 I CA 1.499 62.793 61.300 -0.010 0.000 1.412 384 I CB -0.764 37.286 38.000 0.084 0.000 1.076 384 I HN 0.453 nan 8.210 nan 0.000 0.432 385 E N -0.077 120.141 120.200 0.029 0.000 2.216 385 E HA -0.079 2.365 4.350 -3.176 0.000 0.192 385 E C 2.195 178.795 176.600 0.001 0.000 0.988 385 E CA 0.803 57.209 56.400 0.010 0.000 0.834 385 E CB 0.038 29.744 29.700 0.011 0.000 0.772 385 E HN 0.350 nan 8.360 nan 0.000 0.479 386 S N 1.300 117.009 115.700 0.015 0.000 2.423 386 S HA -0.083 2.481 4.470 -3.176 0.000 0.231 386 S C 1.817 176.410 174.600 -0.012 0.000 1.014 386 S CA 0.791 58.994 58.200 0.005 0.000 0.965 386 S CB -0.167 63.045 63.200 0.021 0.000 0.785 386 S HN 0.373 nan 8.310 nan 0.000 0.495 387 I N 0.218 120.778 120.570 -0.017 0.000 3.736 387 I HA 0.325 2.590 4.170 -3.176 0.000 0.338 387 I C 1.484 177.596 176.117 -0.007 0.000 1.558 387 I CA -0.529 60.759 61.300 -0.020 0.000 1.147 387 I CB 0.080 38.059 38.000 -0.036 0.000 1.275 387 I HN 0.037 nan 8.210 nan 0.000 0.454 388 R N 0.126 120.618 120.500 -0.013 0.000 2.120 388 R HA -0.057 2.378 4.340 -3.176 0.000 0.234 388 R C 1.067 177.353 176.300 -0.023 0.000 1.123 388 R CA 1.120 57.207 56.100 -0.020 0.000 0.975 388 R CB -0.457 29.818 30.300 -0.040 0.000 0.866 388 R HN 0.331 nan 8.270 nan 0.000 0.446 389 E N 1.188 121.375 120.200 -0.022 0.000 2.358 389 E HA -0.062 2.383 4.350 -3.176 0.000 0.195 389 E C -0.108 176.487 176.600 -0.008 0.000 1.010 389 E CA 0.564 56.952 56.400 -0.020 0.000 0.856 389 E CB -0.216 29.471 29.700 -0.021 0.000 0.795 389 E HN 0.287 nan 8.360 nan 0.000 0.504 390 D N 1.329 121.730 120.400 0.001 0.000 2.517 390 D HA -0.003 2.732 4.640 -3.176 0.000 0.220 390 D C 0.657 176.979 176.300 0.037 0.000 1.158 390 D CA -0.108 53.901 54.000 0.016 0.000 0.992 390 D CB 0.238 41.048 40.800 0.016 0.000 1.058 390 D HN -0.256 nan 8.370 nan 0.000 0.516 391 K N 1.436 121.852 120.400 0.027 0.000 2.360 391 K HA -0.098 2.317 4.320 -3.176 0.000 0.201 391 K C 1.295 177.951 176.600 0.093 0.000 1.046 391 K CA 0.590 56.901 56.287 0.040 0.000 0.945 391 K CB 0.420 32.919 32.500 -0.001 0.000 0.750 391 K HN 0.425 nan 8.250 nan 0.000 0.464 392 E N 0.264 120.517 120.200 0.089 0.000 2.216 392 E HA -0.014 2.431 4.350 -3.176 0.000 0.192 392 E C 2.009 178.719 176.600 0.184 0.000 0.973 392 E CA 0.281 56.761 56.400 0.134 0.000 0.851 392 E CB 0.108 29.857 29.700 0.082 0.000 0.804 392 E HN 0.224 nan 8.360 nan 0.000 0.477 393 R N 0.610 121.187 120.500 0.130 0.000 2.066 393 R HA -0.038 2.396 4.340 -3.176 0.000 0.232 393 R C 2.513 178.920 176.300 0.177 0.000 1.131 393 R CA 0.811 56.981 56.100 0.118 0.000 0.955 393 R CB -0.209 30.125 30.300 0.057 0.000 0.851 393 R HN 0.088 nan 8.270 nan 0.000 0.432 394 L N -0.316 121.036 121.223 0.216 0.000 1.990 394 L HA -0.247 2.188 4.340 -3.176 0.000 0.213 394 L C 2.366 179.524 176.870 0.480 0.000 1.072 394 L CA 1.579 56.643 54.840 0.372 0.000 0.755 394 L CB -0.619 41.635 42.059 0.325 0.000 0.889 394 L HN 0.221 nan 8.230 nan 0.000 0.432 395 F N 0.435 120.546 119.950 0.268 0.000 2.307 395 F HA -0.214 2.408 4.527 -3.175 0.000 0.301 395 F C 2.454 178.372 175.800 0.196 0.000 1.076 395 F CA 1.442 59.591 58.000 0.248 0.000 1.383 395 F CB -0.134 38.947 39.000 0.136 0.000 1.055 395 F HN -0.012 nan 8.300 nan 0.000 0.526 396 S N 0.109 115.892 115.700 0.137 0.000 2.345 396 S HA -0.163 2.401 4.470 -3.176 0.000 0.219 396 S C 1.799 176.370 174.600 -0.048 0.000 1.031 396 S CA 1.171 59.389 58.200 0.029 0.000 0.984 396 S CB -0.892 62.371 63.200 0.105 0.000 0.874 396 S HN 0.513 nan 8.310 nan 0.000 0.451 397 F N 1.492 121.345 119.950 -0.162 0.000 2.171 397 F HA 0.005 2.625 4.527 -3.178 0.000 0.300 397 F C 1.397 176.916 175.800 -0.468 0.000 1.090 397 F CA 1.228 59.027 58.000 -0.334 0.000 1.293 397 F CB -0.272 38.449 39.000 -0.465 0.000 1.013 397 F HN 0.139 nan 8.300 nan 0.000 0.486 398 F N -0.212 119.653 119.950 -0.142 0.000 2.746 398 F HA 0.085 2.706 4.527 -3.178 0.000 0.297 398 F C 2.357 177.929 175.800 -0.380 0.000 1.113 398 F CA 0.449 58.292 58.000 -0.262 0.000 1.367 398 F CB -0.648 38.437 39.000 0.141 0.000 1.111 398 F HN 0.004 nan 8.300 nan 0.000 0.590 399 Q N 1.510 121.096 119.800 -0.358 0.000 2.112 399 Q HA -0.198 2.236 4.340 -3.176 0.000 0.206 399 Q C -0.888 174.954 176.000 -0.264 0.000 0.987 399 Q CA 2.178 57.690 55.803 -0.486 0.000 0.858 399 Q CB -1.049 27.262 28.738 -0.712 0.000 0.905 399 Q HN 0.180 nan 8.270 nan 0.000 0.420 400 P HA -0.208 nan 4.420 nan 0.000 0.213 400 P C 1.538 178.775 177.300 -0.104 0.000 1.170 400 P CA 2.354 65.416 63.100 -0.064 0.000 0.902 400 P CB -0.306 31.396 31.700 0.002 0.000 0.789 401 V N -3.103 116.523 119.914 -0.479 0.000 2.427 401 V HA -0.176 2.038 4.120 -3.176 0.000 0.248 401 V C 2.211 178.049 176.094 -0.427 0.000 1.051 401 V CA 1.554 63.487 62.300 -0.612 0.000 1.048 401 V CB -1.875 29.418 31.823 -0.884 0.000 0.666 401 V HN 0.008 nan 8.190 nan 0.000 0.456 402 L N 0.767 121.779 121.223 -0.351 0.000 2.079 402 L HA -0.151 2.284 4.340 -3.176 0.000 0.210 402 L C 2.754 179.525 176.870 -0.165 0.000 1.081 402 L CA 2.071 56.742 54.840 -0.281 0.000 0.752 402 L CB -0.902 41.071 42.059 -0.142 0.000 0.896 402 L HN 0.444 nan 8.230 nan 0.000 0.433 403 N N -0.097 118.543 118.700 -0.099 0.000 2.250 403 N HA -0.142 2.692 4.740 -3.176 0.000 0.181 403 N C 1.833 177.320 175.510 -0.038 0.000 1.017 403 N CA 0.796 53.828 53.050 -0.030 0.000 0.866 403 N CB -0.027 38.468 38.487 0.014 0.000 0.985 403 N HN 0.114 nan 8.380 nan 0.000 0.429 404 K N 1.673 122.063 120.400 -0.017 0.000 2.097 404 K HA 0.103 2.517 4.320 -3.176 0.000 0.206 404 K C 1.930 178.480 176.600 -0.084 0.000 1.049 404 K CA 0.648 56.954 56.287 0.032 0.000 0.933 404 K CB -0.367 32.296 32.500 0.271 0.000 0.717 404 K HN 0.137 nan 8.250 nan 0.000 0.442 405 I N -0.034 120.394 120.570 -0.237 0.000 2.202 405 I HA -0.290 1.975 4.170 -3.176 0.000 0.242 405 I C 2.064 178.028 176.117 -0.254 0.000 1.091 405 I CA 0.932 62.012 61.300 -0.367 0.000 1.368 405 I CB -0.254 37.324 38.000 -0.705 0.000 1.058 405 I HN 0.153 nan 8.210 nan 0.000 0.410 406 M N 0.496 119.974 119.600 -0.204 0.000 2.080 406 M HA -0.262 2.313 4.480 -3.176 0.000 0.260 406 M C 2.306 178.579 176.300 -0.044 0.000 1.068 406 M CA 1.784 57.013 55.300 -0.118 0.000 1.109 406 M CB -1.261 31.296 32.600 -0.072 0.000 1.342 406 M HN 0.165 nan 8.290 nan 0.000 0.405 407 K N -0.320 120.059 120.400 -0.035 0.000 2.032 407 K HA -0.170 2.244 4.320 -3.176 0.000 0.209 407 K C 2.080 178.672 176.600 -0.013 0.000 1.048 407 K CA 1.927 58.208 56.287 -0.010 0.000 0.927 407 K CB -0.053 32.444 32.500 -0.004 0.000 0.712 407 K HN 0.376 nan 8.250 nan 0.000 0.441 408 C N 0.746 120.025 119.300 -0.034 0.000 2.422 408 C HA -0.022 2.532 4.460 -3.176 0.000 0.279 408 C C 2.149 177.127 174.990 -0.021 0.000 1.305 408 C CA 0.331 59.331 59.018 -0.030 0.000 1.757 408 C CB -0.686 27.025 27.740 -0.047 0.000 1.962 408 C HN 0.469 nan 8.230 nan 0.000 0.499 409 L N 0.532 121.737 121.223 -0.030 0.000 2.645 409 L HA 0.051 2.486 4.340 -3.176 0.000 0.235 409 L C 0.471 177.386 176.870 0.075 0.000 1.150 409 L CA 0.736 55.589 54.840 0.021 0.000 0.911 409 L CB -0.542 41.520 42.059 0.006 0.000 1.077 409 L HN 0.389 nan 8.230 nan 0.000 0.438 410 D N -0.629 119.799 120.400 0.046 0.000 2.988 410 D HA -0.162 2.573 4.640 -3.176 0.000 0.221 410 D C 0.390 176.728 176.300 0.065 0.000 1.122 410 D CA 0.968 54.998 54.000 0.050 0.000 0.821 410 D CB -0.565 40.264 40.800 0.048 0.000 1.098 410 D HN 0.389 nan 8.370 nan 0.000 0.433 411 S N -1.060 114.682 115.700 0.070 0.000 2.894 411 S HA 0.705 3.269 4.470 -3.176 0.000 0.298 411 S C -0.619 174.013 174.600 0.052 0.000 1.054 411 S CA -0.372 57.876 58.200 0.080 0.000 0.903 411 S CB 1.745 65.025 63.200 0.133 0.000 1.356 411 S HN 0.164 nan 8.310 nan 0.000 0.626 412 E N 0.417 120.652 120.200 0.059 0.000 2.393 412 E HA 0.354 2.798 4.350 -3.176 0.000 0.273 412 E C -1.827 174.813 176.600 0.066 0.000 0.918 412 E CA -0.855 55.577 56.400 0.053 0.000 0.773 412 E CB 0.998 30.730 29.700 0.052 0.000 1.275 412 E HN 0.512 nan 8.360 nan 0.000 0.451 413 D N 0.769 121.209 120.400 0.066 0.000 2.908 413 D HA -0.081 2.654 4.640 -3.176 0.000 0.215 413 D C -0.612 175.771 176.300 0.138 0.000 1.095 413 D CA 0.601 54.655 54.000 0.090 0.000 0.812 413 D CB 0.369 41.221 40.800 0.087 0.000 1.180 413 D HN -0.014 nan 8.370 nan 0.000 0.512 414 V N 4.483 124.513 119.914 0.194 0.000 2.479 414 V HA 0.053 2.267 4.120 -3.176 0.000 0.281 414 V C 0.878 177.154 176.094 0.304 0.000 1.031 414 V CA -0.193 62.292 62.300 0.308 0.000 1.038 414 V CB 0.370 32.460 31.823 0.445 0.000 0.981 414 V HN 0.362 nan 8.190 nan 0.000 0.478 415 I N 4.196 124.887 120.570 0.201 0.000 2.474 415 I HA 0.174 2.438 4.170 -3.176 0.000 0.287 415 I C 0.482 176.543 176.117 -0.094 0.000 1.048 415 I CA -0.136 61.209 61.300 0.075 0.000 1.383 415 I CB 0.963 38.993 38.000 0.050 0.000 1.412 415 I HN 0.562 nan 8.210 nan 0.000 0.531 416 D N 5.959 126.194 120.400 -0.276 0.000 2.494 416 D HA 0.170 2.905 4.640 -3.176 0.000 0.217 416 D C 0.481 176.589 176.300 -0.320 0.000 1.153 416 D CA -0.226 53.432 54.000 -0.571 0.000 0.954 416 D CB 0.646 40.935 40.800 -0.852 0.000 1.034 416 D HN 0.678 nan 8.370 nan 0.000 0.518 417 G N 3.133 111.780 108.800 -0.255 0.000 4.294 417 G HA2 0.124 2.178 3.960 -3.176 0.000 0.301 417 G HA3 0.124 2.178 3.960 -3.176 0.000 0.301 417 G C 0.983 175.767 174.900 -0.194 0.000 1.321 417 G CA -0.380 44.612 45.100 -0.180 0.000 1.190 417 G HN 0.459 nan 8.290 nan 0.000 0.600 418 M N -0.104 119.369 119.600 -0.211 0.000 2.561 418 M HA 0.253 2.828 4.480 -3.176 0.000 0.238 418 M C 0.536 176.771 176.300 -0.109 0.000 1.131 418 M CA 0.627 55.824 55.300 -0.173 0.000 1.046 418 M CB 0.236 32.731 32.600 -0.174 0.000 1.532 418 M HN 0.065 nan 8.290 nan 0.000 0.497 419 R N 0.057 120.500 120.500 -0.096 0.000 2.515 419 R HA 0.401 2.836 4.340 -3.176 0.000 0.278 419 R C -2.560 173.710 176.300 -0.049 0.000 1.107 419 R CA -1.553 54.512 56.100 -0.059 0.000 0.945 419 R CB 1.024 31.293 30.300 -0.052 0.000 1.219 419 R HN -0.072 nan 8.270 nan 0.000 0.434 420 P HA -0.110 nan 4.420 nan 0.000 0.277 420 P C -0.178 177.109 177.300 -0.021 0.000 1.221 420 P CA 0.548 63.637 63.100 -0.018 0.000 0.802 420 P CB 0.367 32.062 31.700 -0.008 0.000 0.806 421 I N -3.049 117.513 120.570 -0.013 0.000 5.487 421 I HA -0.128 2.137 4.170 -3.176 0.000 0.182 421 I C -0.102 176.008 176.117 -0.012 0.000 1.813 421 I CA -0.071 61.222 61.300 -0.012 0.000 2.037 421 I CB -1.445 36.546 38.000 -0.015 0.000 3.349 421 I HN 0.456 nan 8.210 nan 0.000 0.169 422 E N 2.254 122.450 120.200 -0.007 0.000 2.415 422 E HA 0.060 2.504 4.350 -3.176 0.000 0.260 422 E C 0.972 177.572 176.600 0.000 0.000 1.016 422 E CA -0.139 56.259 56.400 -0.004 0.000 0.924 422 E CB 0.506 30.209 29.700 0.004 0.000 0.961 422 E HN 0.328 nan 8.360 nan 0.000 0.459 423 N N 3.439 122.139 118.700 0.001 0.000 2.142 423 N HA -0.112 2.722 4.740 -3.176 0.000 0.186 423 N C 0.822 176.336 175.510 0.007 0.000 1.023 423 N CA 1.066 54.119 53.050 0.004 0.000 0.852 423 N CB 0.119 38.610 38.487 0.006 0.000 0.998 423 N HN 0.541 nan 8.380 nan 0.000 0.424 424 I N -1.877 118.699 120.570 0.010 0.000 5.471 424 I HA -0.234 2.030 4.170 -3.176 0.000 0.130 424 I C 0.473 176.597 176.117 0.012 0.000 1.813 424 I CA 0.387 61.694 61.300 0.011 0.000 2.037 424 I CB -1.464 36.541 38.000 0.009 0.000 3.347 424 I HN 0.081 nan 8.210 nan 0.000 0.169 425 A N -0.580 122.248 122.820 0.014 0.000 2.431 425 A HA 0.303 2.718 4.320 -3.176 0.000 0.239 425 A C 1.577 179.173 177.584 0.020 0.000 1.230 425 A CA 0.347 52.394 52.037 0.016 0.000 0.928 425 A CB 0.020 19.029 19.000 0.016 0.000 1.006 425 A HN 0.434 nan 8.150 nan 0.000 0.520 426 N N 1.209 119.923 118.700 0.024 0.000 2.132 426 N HA 0.024 2.858 4.740 -3.176 0.000 0.188 426 N C 1.517 177.042 175.510 0.026 0.000 1.069 426 N CA 1.567 54.635 53.050 0.031 0.000 0.887 426 N CB -0.745 37.766 38.487 0.040 0.000 1.059 426 N HN 0.817 nan 8.380 nan 0.000 0.453 427 A N -0.197 122.636 122.820 0.023 0.000 3.408 427 A HA -0.257 2.158 4.320 -3.176 0.000 0.269 427 A C 0.947 178.536 177.584 0.007 0.000 1.124 427 A CA 2.037 54.080 52.037 0.011 0.000 0.999 427 A CB -1.707 17.297 19.000 0.007 0.000 1.067 427 A HN 0.635 nan 8.150 nan 0.000 0.815 428 N N -2.301 116.411 118.700 0.020 0.000 1.921 428 N HA 0.059 2.893 4.740 -3.176 0.000 0.237 428 N C -0.303 175.234 175.510 0.046 0.000 1.352 428 N CA 0.233 53.296 53.050 0.021 0.000 0.805 428 N CB 0.336 38.835 38.487 0.019 0.000 1.159 428 N HN 0.607 nan 8.380 nan 0.000 0.473 429 K N 3.409 123.844 120.400 0.058 0.000 2.248 429 K HA 0.308 2.722 4.320 -3.176 0.000 0.281 429 K C -2.472 174.200 176.600 0.120 0.000 1.054 429 K CA -1.477 54.861 56.287 0.084 0.000 0.903 429 K CB 1.260 33.805 32.500 0.075 0.000 1.077 429 K HN 0.003 nan 8.250 nan 0.000 0.474 430 P HA -0.036 nan 4.420 nan 0.000 0.264 430 P C -0.526 176.979 177.300 0.341 0.000 1.193 430 P CA -0.122 63.139 63.100 0.268 0.000 0.763 430 P CB 0.684 32.496 31.700 0.187 0.000 0.810 431 V N 5.472 125.585 119.914 0.331 0.000 2.313 431 V HA 0.103 2.317 4.120 -3.176 0.000 0.278 431 V C 0.573 176.695 176.094 0.046 0.000 1.017 431 V CA -0.911 61.484 62.300 0.159 0.000 0.823 431 V CB 0.955 32.810 31.823 0.053 0.000 1.010 431 V HN 0.438 nan 8.190 nan 0.000 0.443 432 L N 6.788 127.935 121.223 -0.128 0.000 2.410 432 L HA 0.387 2.821 4.340 -3.176 0.000 0.273 432 L C 1.149 177.787 176.870 -0.387 0.000 1.152 432 L CA 0.846 55.387 54.840 -0.499 0.000 0.855 432 L CB 0.440 42.220 42.059 -0.465 0.000 1.129 432 L HN 0.481 nan 8.230 nan 0.000 0.463 433 R N 3.264 123.488 120.500 -0.460 0.000 2.394 433 R HA 0.308 2.743 4.340 -3.176 0.000 0.220 433 R C -0.188 175.906 176.300 -0.343 0.000 0.887 433 R CA 0.065 55.886 56.100 -0.464 0.000 1.034 433 R CB -0.240 29.524 30.300 -0.893 0.000 1.179 433 R HN 0.838 nan 8.270 nan 0.000 0.561 434 N N 0.030 118.548 118.700 -0.303 0.000 2.846 434 N HA 0.220 3.054 4.740 -3.176 0.000 0.248 434 N C -1.638 173.740 175.510 -0.220 0.000 1.097 434 N CA -0.361 52.574 53.050 -0.193 0.000 1.013 434 N CB 1.635 40.066 38.487 -0.093 0.000 1.686 434 N HN -0.163 nan 8.380 nan 0.000 0.520 435 I N 3.949 124.396 120.570 -0.205 0.000 2.406 435 I HA 0.477 2.741 4.170 -3.176 0.000 0.290 435 I C -0.377 175.581 176.117 -0.266 0.000 0.999 435 I CA -0.693 60.420 61.300 -0.312 0.000 1.124 435 I CB 1.720 39.561 38.000 -0.265 0.000 1.289 435 I HN 0.380 nan 8.210 nan 0.000 0.441 436 I N 6.434 126.802 120.570 -0.337 0.000 2.530 436 I HA 0.566 2.831 4.170 -3.176 0.000 0.297 436 I C -0.559 175.401 176.117 -0.261 0.000 1.011 436 I CA -0.892 60.264 61.300 -0.239 0.000 1.107 436 I CB 2.162 40.037 38.000 -0.208 0.000 1.285 436 I HN 0.175 nan 8.210 nan 0.000 0.436 437 V N 3.154 122.964 119.914 -0.174 0.000 3.001 437 V HA 0.450 2.665 4.120 -3.176 0.000 0.314 437 V C 0.086 176.114 176.094 -0.109 0.000 1.099 437 V CA -0.671 61.543 62.300 -0.144 0.000 0.989 437 V CB 2.235 33.997 31.823 -0.102 0.000 1.040 437 V HN 0.914 nan 8.190 nan 0.000 0.434 438 S N 0.979 116.638 115.700 -0.068 0.000 2.645 438 S HA 0.356 2.920 4.470 -3.176 0.000 0.266 438 S C 0.275 174.783 174.600 -0.154 0.000 1.258 438 S CA -0.310 57.837 58.200 -0.088 0.000 0.990 438 S CB 1.056 64.339 63.200 0.139 0.000 0.967 438 S HN 0.859 nan 8.310 nan 0.000 0.556 439 N N -1.480 117.013 118.700 -0.345 0.000 2.082 439 N HA 0.119 2.954 4.740 -3.176 0.000 0.228 439 N C 0.236 175.626 175.510 -0.199 0.000 1.341 439 N CA -0.256 52.644 53.050 -0.250 0.000 0.873 439 N CB 0.147 38.469 38.487 -0.274 0.000 1.137 439 N HN 0.763 nan 8.380 nan 0.000 0.505 440 W N 1.419 122.715 121.300 -0.007 0.000 2.290 440 W HA -0.243 2.519 4.660 -3.163 0.000 0.311 440 W C 2.643 179.151 176.519 -0.019 0.000 1.238 440 W CA 1.937 59.278 57.345 -0.007 0.000 1.255 440 W CB -0.858 28.593 29.460 -0.015 0.000 1.145 440 W HN 0.160 nan 8.180 nan 0.000 0.506 441 T N -1.697 112.960 114.554 0.172 0.000 2.951 441 T HA -0.044 2.400 4.350 -3.176 0.000 0.268 441 T C 1.629 176.367 174.700 0.063 0.000 1.073 441 T CA 1.160 63.316 62.100 0.094 0.000 1.134 441 T CB -0.242 68.657 68.868 0.052 0.000 0.884 441 T HN 0.220 nan 8.240 nan 0.000 0.479 442 R N 1.031 121.547 120.500 0.028 0.000 2.128 442 R HA 0.161 2.595 4.340 -3.176 0.000 0.211 442 R C 0.579 176.859 176.300 -0.034 0.000 1.067 442 R CA 0.436 56.532 56.100 -0.007 0.000 1.010 442 R CB -0.314 29.969 30.300 -0.027 0.000 0.922 442 R HN 0.339 nan 8.270 nan 0.000 0.457 443 D N 2.943 123.319 120.400 -0.040 0.000 2.426 443 D HA -0.026 2.709 4.640 -3.176 0.000 0.261 443 D C -1.359 174.905 176.300 -0.060 0.000 1.245 443 D CA -1.745 52.220 54.000 -0.059 0.000 0.917 443 D CB 1.133 41.908 40.800 -0.042 0.000 1.123 443 D HN 0.007 nan 8.370 nan 0.000 0.508 444 P HA -0.187 nan 4.420 nan 0.000 0.221 444 P C 0.703 177.866 177.300 -0.229 0.000 1.145 444 P CA 1.213 64.147 63.100 -0.277 0.000 0.795 444 P CB -0.097 31.318 31.700 -0.476 0.000 0.775 445 Y N -0.098 120.245 120.300 0.071 0.000 2.466 445 Y HA 0.024 2.668 4.550 -3.177 0.000 0.272 445 Y C 2.506 178.487 175.900 0.136 0.000 1.169 445 Y CA 0.471 58.627 58.100 0.092 0.000 1.285 445 Y CB 0.112 38.624 38.460 0.087 0.000 1.078 445 Y HN 0.157 nan 8.280 nan 0.000 0.523 446 S N -0.524 115.337 115.700 0.269 0.000 3.148 446 S HA 0.163 2.727 4.470 -3.176 0.000 0.246 446 S C 0.793 175.499 174.600 0.177 0.000 1.041 446 S CA -0.275 58.096 58.200 0.284 0.000 0.813 446 S CB 0.170 63.693 63.200 0.538 0.000 0.813 446 S HN 0.246 nan 8.310 nan 0.000 0.546 447 R N 1.697 122.291 120.500 0.157 0.000 3.531 447 R HA -0.115 2.319 4.340 -3.176 0.000 0.280 447 R C 0.737 177.101 176.300 0.107 0.000 1.130 447 R CA 0.365 56.534 56.100 0.115 0.000 0.757 447 R CB -2.060 28.295 30.300 0.092 0.000 1.218 447 R HN 0.909 nan 8.270 nan 0.000 0.454 448 G N -3.133 105.720 108.800 0.087 0.000 2.725 448 G HA2 0.353 2.407 3.960 -3.176 0.000 0.100 448 G HA3 0.353 2.407 3.960 -3.176 0.000 0.100 448 G C 0.127 174.954 174.900 -0.121 0.000 2.315 448 G CA 0.528 45.592 45.100 -0.061 0.000 1.153 448 G HN 1.016 nan 8.290 nan 0.000 0.325 449 A N -2.155 120.559 122.820 -0.175 0.000 3.497 449 A HA 0.563 2.978 4.320 -3.176 0.000 0.107 449 A C -0.423 177.044 177.584 -0.194 0.000 1.316 449 A CA 1.093 52.928 52.037 -0.337 0.000 1.327 449 A CB -0.637 18.023 19.000 -0.567 0.000 1.061 449 A HN 2.218 nan 8.150 nan 0.000 0.486 450 Y N -0.577 119.689 120.300 -0.057 0.000 2.689 450 Y HA 0.837 3.471 4.550 -3.193 0.000 0.333 450 Y C 0.155 176.107 175.900 0.088 0.000 1.190 450 Y CA -0.796 57.310 58.100 0.009 0.000 1.063 450 Y CB 0.576 39.044 38.460 0.014 0.000 1.294 450 Y HN 0.606 nan 8.280 nan 0.000 0.466 451 S N 0.851 116.802 115.700 0.418 0.000 2.525 451 S HA 0.603 3.168 4.470 -3.176 0.000 0.285 451 S C -0.316 174.530 174.600 0.409 0.000 1.283 451 S CA 0.437 58.884 58.200 0.412 0.000 1.072 451 S CB -0.850 62.633 63.200 0.472 0.000 0.867 451 S HN 1.136 nan 8.310 nan 0.000 0.492 452 A N 3.582 126.575 122.820 0.288 0.000 2.587 452 A HA 0.707 3.121 4.320 -3.176 0.000 0.293 452 A C -0.487 177.168 177.584 0.119 0.000 1.087 452 A CA -0.766 51.447 52.037 0.292 0.000 0.692 452 A CB 0.821 20.022 19.000 0.335 0.000 1.291 452 A HN 1.132 nan 8.150 nan 0.000 0.407 453 C N -0.524 118.844 119.300 0.112 0.000 2.614 453 C HA 0.908 3.462 4.460 -3.176 0.000 0.320 453 C C -0.016 175.104 174.990 0.216 0.000 1.200 453 C CA -1.143 57.864 59.018 -0.019 0.000 1.700 453 C CB -0.273 27.434 27.740 -0.054 0.000 2.275 453 C HN 0.677 nan 8.230 nan 0.000 0.492 454 F N 1.510 121.491 119.950 0.052 0.000 2.403 454 F HA 0.609 3.222 4.527 -3.191 0.000 0.326 454 F C -1.384 174.430 175.800 0.024 0.000 1.099 454 F CA -2.226 55.806 58.000 0.053 0.000 1.036 454 F CB 0.757 39.794 39.000 0.062 0.000 1.336 454 F HN 0.397 nan 8.300 nan 0.000 0.497 461 D N -0.159 120.207 120.400 -0.058 0.000 2.224 461 D HA -0.073 2.661 4.640 -3.176 0.000 0.205 461 D C 1.699 177.956 176.300 -0.071 0.000 0.965 461 D CA 1.577 55.539 54.000 -0.063 0.000 0.852 461 D CB 0.094 40.849 40.800 -0.074 0.000 0.947 461 D HN 0.395 nan 8.370 nan 0.000 0.494 462 M N 0.969 120.537 119.600 -0.053 0.000 2.065 462 M HA -0.162 2.413 4.480 -3.176 0.000 0.259 462 M C 2.041 178.322 176.300 -0.031 0.000 1.069 462 M CA 1.349 56.634 55.300 -0.024 0.000 1.110 462 M CB -0.603 32.094 32.600 0.162 0.000 1.328 462 M HN -0.191 nan 8.290 nan 0.000 0.405 463 V N -0.516 119.394 119.914 -0.008 0.000 2.231 463 V HA -0.335 1.880 4.120 -3.176 0.000 0.250 463 V C 2.415 178.485 176.094 -0.040 0.000 1.058 463 V CA 2.157 64.443 62.300 -0.023 0.000 1.022 463 V CB -1.260 30.553 31.823 -0.015 0.000 0.640 463 V HN 0.463 nan 8.190 nan 0.000 0.445 464 V N 0.340 120.230 119.914 -0.040 0.000 2.252 464 V HA -0.341 1.874 4.120 -3.176 0.000 0.249 464 V C 2.711 178.774 176.094 -0.052 0.000 1.056 464 V CA 2.386 64.662 62.300 -0.040 0.000 1.022 464 V CB -1.455 30.343 31.823 -0.041 0.000 0.641 464 V HN 0.590 nan 8.190 nan 0.000 0.445 465 A N -0.315 122.455 122.820 -0.083 0.000 1.851 465 A HA -0.241 2.173 4.320 -3.176 0.000 0.216 465 A C 2.254 179.769 177.584 -0.116 0.000 1.195 465 A CA 2.412 54.378 52.037 -0.117 0.000 0.622 465 A CB -0.548 18.339 19.000 -0.189 0.000 0.831 465 A HN 0.424 nan 8.150 nan 0.000 0.444 466 M N 0.177 119.687 119.600 -0.150 0.000 2.080 466 M HA -0.121 2.453 4.480 -3.176 0.000 0.260 466 M C 2.395 178.712 176.300 0.029 0.000 1.068 466 M CA 1.910 57.125 55.300 -0.142 0.000 1.109 466 M CB -1.725 30.766 32.600 -0.182 0.000 1.342 466 M HN 0.463 nan 8.290 nan 0.000 0.405 467 S N 1.257 116.955 115.700 -0.002 0.000 2.372 467 S HA -0.148 2.417 4.470 -3.176 0.000 0.227 467 S C 1.500 176.126 174.600 0.044 0.000 1.044 467 S CA 1.394 59.605 58.200 0.019 0.000 1.050 467 S CB -0.479 62.720 63.200 -0.002 0.000 0.901 467 S HN 0.503 nan 8.310 nan 0.000 0.447 468 N N 1.147 119.869 118.700 0.037 0.000 2.322 468 N HA 0.209 3.044 4.740 -3.176 0.000 0.194 468 N C 0.908 176.463 175.510 0.075 0.000 1.126 468 N CA 0.602 53.678 53.050 0.042 0.000 0.845 468 N CB 0.209 38.707 38.487 0.018 0.000 0.976 468 N HN 0.467 nan 8.380 nan 0.000 0.475 469 G N 1.701 110.590 108.800 0.148 0.000 2.939 469 G HA2 -0.349 1.706 3.960 -3.176 0.000 0.278 469 G HA3 -0.349 1.706 3.960 -3.176 0.000 0.278 469 G C 0.641 175.653 174.900 0.186 0.000 1.487 469 G CA 0.382 45.632 45.100 0.249 0.000 0.935 469 G HN 0.301 nan 8.290 nan 0.000 0.553 470 Q N 0.162 120.110 119.800 0.246 0.000 2.002 470 Q HA 0.047 2.481 4.340 -3.176 0.000 0.204 470 Q C 1.417 177.447 176.000 0.051 0.000 0.988 470 Q CA 3.281 59.161 55.803 0.129 0.000 0.843 470 Q CB -0.100 28.695 28.738 0.094 0.000 0.908 470 Q HN 0.973 nan 8.270 nan 0.000 0.420 471 D N -2.705 117.714 120.400 0.031 0.000 3.224 471 D HA 0.224 2.959 4.640 -3.176 0.000 0.268 471 D C 0.134 176.442 176.300 0.013 0.000 1.310 471 D CA 0.043 54.050 54.000 0.012 0.000 1.035 471 D CB -0.120 40.677 40.800 -0.005 0.000 1.293 471 D HN 0.052 nan 8.370 nan 0.000 0.630 472 S N -2.000 113.699 115.700 -0.002 0.000 2.556 472 S HA 0.228 2.792 4.470 -3.176 0.000 0.216 472 S C 1.058 175.664 174.600 0.009 0.000 0.970 472 S CA -0.337 57.878 58.200 0.025 0.000 0.912 472 S CB 0.002 63.217 63.200 0.025 0.000 0.790 472 S HN 0.248 nan 8.310 nan 0.000 0.504 473 R N 0.560 121.013 120.500 -0.078 0.000 2.225 473 R HA 0.413 2.847 4.340 -3.176 0.000 0.194 473 R C -0.104 176.147 176.300 -0.082 0.000 0.949 473 R CA 0.122 56.103 56.100 -0.199 0.000 1.088 473 R CB -0.115 30.015 30.300 -0.284 0.000 1.106 473 R HN 0.360 nan 8.270 nan 0.000 0.566 474 I N 3.980 124.504 120.570 -0.076 0.000 2.269 474 I HA 0.197 2.461 4.170 -3.176 0.000 0.293 474 I C 0.270 176.237 176.117 -0.248 0.000 1.106 474 I CA -0.264 60.950 61.300 -0.143 0.000 1.248 474 I CB 0.090 38.038 38.000 -0.088 0.000 1.444 474 I HN -0.195 nan 8.210 nan 0.000 0.497 475 R N 5.367 125.696 120.500 -0.284 0.000 2.705 475 R HA 0.713 3.148 4.340 -3.176 0.000 0.246 475 R C -0.859 175.102 176.300 -0.564 0.000 1.142 475 R CA -0.772 55.175 56.100 -0.255 0.000 1.114 475 R CB 1.066 31.326 30.300 -0.068 0.000 1.256 475 R HN 0.195 nan 8.270 nan 0.000 0.536 476 F N -1.114 118.843 119.950 0.012 0.000 2.601 476 F HA 0.679 3.302 4.527 -3.174 0.000 0.309 476 F C -0.185 175.594 175.800 -0.035 0.000 1.089 476 F CA -0.808 57.197 58.000 0.008 0.000 0.940 476 F CB 2.355 41.357 39.000 0.003 0.000 1.273 476 F HN 0.604 nan 8.300 nan 0.000 0.450 477 A N 1.199 124.119 122.820 0.166 0.000 2.566 477 A HA 1.009 3.423 4.320 -3.176 0.000 0.292 477 A C -0.481 177.113 177.584 0.017 0.000 1.112 477 A CA -0.352 51.712 52.037 0.044 0.000 0.707 477 A CB 1.888 20.906 19.000 0.030 0.000 1.302 477 A HN 1.683 nan 8.150 nan 0.000 0.409 478 G N -0.232 108.538 108.800 -0.049 0.000 2.333 478 G HA2 0.467 2.521 3.960 -3.176 0.000 0.330 478 G HA3 0.467 2.521 3.960 -3.176 0.000 0.330 478 G C -0.194 174.657 174.900 -0.081 0.000 1.465 478 G CA 0.344 45.442 45.100 -0.003 0.000 0.996 478 G HN 1.502 nan 8.290 nan 0.000 0.655 479 E N -0.314 119.950 120.200 0.106 0.000 2.472 479 E HA -0.077 2.368 4.350 -3.176 0.000 0.200 479 E C 1.424 178.076 176.600 0.087 0.000 1.046 479 E CA 1.968 58.406 56.400 0.064 0.000 0.871 479 E CB -0.321 29.423 29.700 0.073 0.000 0.806 479 E HN 0.789 nan 8.360 nan 0.000 0.533 480 H N -0.493 118.615 119.070 0.064 0.000 2.529 480 H HA 0.240 2.887 4.556 -3.180 0.000 0.277 480 H C 0.535 175.907 175.328 0.073 0.000 1.004 480 H CA 0.872 56.982 56.048 0.102 0.000 1.167 480 H CB -0.234 29.567 29.762 0.065 0.000 1.445 480 H HN 0.256 nan 8.280 nan 0.000 0.554 481 T N -1.596 112.750 114.554 -0.347 0.000 3.174 481 T HA 0.395 2.839 4.350 -3.176 0.000 0.269 481 T C 0.288 174.929 174.700 -0.098 0.000 1.017 481 T CA -0.385 61.571 62.100 -0.240 0.000 0.899 481 T CB -0.301 68.394 68.868 -0.288 0.000 1.077 481 T HN 0.323 nan 8.240 nan 0.000 0.552 482 I N 0.166 120.698 120.570 -0.062 0.000 2.842 482 I HA 0.370 2.635 4.170 -3.176 0.000 0.297 482 I C 0.628 176.729 176.117 -0.026 0.000 1.380 482 I CA -1.105 60.175 61.300 -0.034 0.000 1.018 482 I CB 2.243 40.227 38.000 -0.027 0.000 1.311 482 I HN 0.018 nan 8.210 nan 0.000 0.439 483 M N 3.352 122.944 119.600 -0.014 0.000 2.101 483 M HA -0.039 2.536 4.480 -3.176 0.000 0.259 483 M C 0.244 176.532 176.300 -0.019 0.000 1.083 483 M CA 1.539 56.831 55.300 -0.014 0.000 1.114 483 M CB -0.158 32.440 32.600 -0.003 0.000 1.281 483 M HN 0.731 nan 8.290 nan 0.000 0.422 484 D N 0.369 120.778 120.400 0.015 0.000 2.531 484 D HA 0.155 2.889 4.640 -3.176 0.000 0.239 484 D C 0.751 177.041 176.300 -0.017 0.000 1.144 484 D CA 1.722 55.757 54.000 0.058 0.000 0.869 484 D CB 0.221 41.103 40.800 0.135 0.000 1.160 484 D HN 0.711 nan 8.370 nan 0.000 0.484 485 G N 2.657 111.413 108.800 -0.073 0.000 2.168 485 G HA2 -0.203 1.852 3.960 -3.176 0.000 0.257 485 G HA3 -0.203 1.852 3.960 -3.176 0.000 0.257 485 G C 0.583 175.241 174.900 -0.403 0.000 0.997 485 G CA 0.482 45.240 45.100 -0.570 0.000 0.708 485 G HN 1.060 nan 8.290 nan 0.000 0.520 486 A N -0.700 122.001 122.820 -0.198 0.000 2.609 486 A HA 0.524 2.939 4.320 -3.176 0.000 0.232 486 A C 2.318 179.823 177.584 -0.132 0.000 1.041 486 A CA 2.108 54.074 52.037 -0.118 0.000 0.753 486 A CB -0.323 18.641 19.000 -0.060 0.000 0.966 486 A HN 2.439 nan 8.150 nan 0.000 0.510 487 G N 0.483 109.254 108.800 -0.049 0.000 2.322 487 G HA2 -0.345 1.710 3.960 -3.176 0.000 0.264 487 G HA3 -0.345 1.710 3.960 -3.176 0.000 0.264 487 G C 0.575 175.362 174.900 -0.188 0.000 0.992 487 G CA 0.802 45.870 45.100 -0.053 0.000 0.624 487 G HN 1.300 nan 8.290 nan 0.000 0.543 488 C N 0.476 119.641 119.300 -0.225 0.000 2.398 488 C HA 0.742 3.297 4.460 -3.176 0.000 0.364 488 C C 2.354 177.242 174.990 -0.170 0.000 1.219 488 C CA 0.182 59.078 59.018 -0.203 0.000 2.312 488 C CB 0.969 28.569 27.740 -0.234 0.000 2.428 488 C HN 0.849 nan 8.230 nan 0.000 0.564 489 A N 1.423 124.203 122.820 -0.067 0.000 1.908 489 A HA -0.202 2.213 4.320 -3.176 0.000 0.218 489 A C 1.771 179.429 177.584 0.124 0.000 1.181 489 A CA 2.212 54.242 52.037 -0.013 0.000 0.627 489 A CB -0.912 18.016 19.000 -0.120 0.000 0.818 489 A HN 1.093 nan 8.150 nan 0.000 0.445 490 Y N -0.592 119.787 120.300 0.133 0.000 2.571 490 Y HA 0.256 2.896 4.550 -3.183 0.000 0.294 490 Y C 1.914 177.962 175.900 0.247 0.000 1.141 490 Y CA 0.335 58.530 58.100 0.158 0.000 1.308 490 Y CB -0.994 37.520 38.460 0.090 0.000 1.002 490 Y HN 0.072 nan 8.280 nan 0.000 0.551 491 G N 0.687 109.300 108.800 -0.311 0.000 2.404 491 G HA2 -0.070 1.985 3.960 -3.176 0.000 0.213 491 G HA3 -0.070 1.985 3.960 -3.176 0.000 0.213 491 G C 1.837 176.754 174.900 0.029 0.000 1.189 491 G CA 0.806 45.774 45.100 -0.221 0.000 0.796 491 G HN 0.579 nan 8.290 nan 0.000 0.532 492 A N 0.279 123.127 122.820 0.046 0.000 1.873 492 A HA -0.147 2.267 4.320 -3.176 0.000 0.218 492 A C 2.151 179.841 177.584 0.177 0.000 1.193 492 A CA 1.829 53.920 52.037 0.091 0.000 0.629 492 A CB -1.048 18.013 19.000 0.102 0.000 0.826 492 A HN 0.558 nan 8.150 nan 0.000 0.447 493 W N 0.821 122.154 121.300 0.055 0.000 2.302 493 W HA -0.303 2.450 4.660 -3.178 0.000 0.320 493 W C 2.118 178.688 176.519 0.084 0.000 1.241 493 W CA 2.708 60.110 57.345 0.094 0.000 1.264 493 W CB -0.182 29.368 29.460 0.150 0.000 1.154 493 W HN 0.435 nan 8.180 nan 0.000 0.483 494 E N 0.350 120.774 120.200 0.374 0.000 2.106 494 E HA -0.189 2.256 4.350 -3.176 0.000 0.192 494 E C 2.315 178.919 176.600 0.007 0.000 0.984 494 E CA 2.221 58.715 56.400 0.157 0.000 0.806 494 E CB -0.753 29.127 29.700 0.301 0.000 0.750 494 E HN 0.292 nan 8.360 nan 0.000 0.458 495 S N -0.893 114.825 115.700 0.029 0.000 2.400 495 S HA -0.090 2.475 4.470 -3.176 0.000 0.232 495 S C 2.137 176.712 174.600 -0.041 0.000 1.025 495 S CA 1.117 59.311 58.200 -0.010 0.000 0.993 495 S CB -0.929 62.260 63.200 -0.019 0.000 0.808 495 S HN 0.346 nan 8.310 nan 0.000 0.478 496 G N 2.107 110.867 108.800 -0.067 0.000 2.454 496 G HA2 -0.149 1.906 3.960 -3.176 0.000 0.214 496 G HA3 -0.149 1.906 3.960 -3.176 0.000 0.214 496 G C 1.439 176.244 174.900 -0.159 0.000 1.217 496 G CA 0.524 45.562 45.100 -0.103 0.000 0.799 496 G HN 0.552 nan 8.290 nan 0.000 0.538 497 R N 0.432 120.768 120.500 -0.274 0.000 2.226 497 R HA -0.115 2.320 4.340 -3.176 0.000 0.246 497 R C 2.434 178.639 176.300 -0.158 0.000 1.161 497 R CA 1.586 57.522 56.100 -0.274 0.000 0.997 497 R CB -0.248 29.799 30.300 -0.420 0.000 0.870 497 R HN 0.388 nan 8.270 nan 0.000 0.465 498 R N 0.183 120.613 120.500 -0.116 0.000 2.056 498 R HA -0.088 2.347 4.340 -3.176 0.000 0.227 498 R C 1.782 178.041 176.300 -0.068 0.000 1.149 498 R CA 1.465 57.523 56.100 -0.070 0.000 0.937 498 R CB -0.088 30.188 30.300 -0.040 0.000 0.835 498 R HN 0.199 nan 8.270 nan 0.000 0.430 499 E N 0.441 120.604 120.200 -0.063 0.000 2.160 499 E HA -0.175 2.269 4.350 -3.176 0.000 0.195 499 E C 1.738 178.279 176.600 -0.099 0.000 0.991 499 E CA 1.297 57.659 56.400 -0.063 0.000 0.810 499 E CB -0.166 29.506 29.700 -0.046 0.000 0.742 499 E HN 0.464 nan 8.360 nan 0.000 0.466 500 A N 0.662 123.418 122.820 -0.107 0.000 1.897 500 A HA -0.094 2.320 4.320 -3.176 0.000 0.215 500 A C 2.453 179.964 177.584 -0.121 0.000 1.181 500 A CA 1.714 53.678 52.037 -0.121 0.000 0.620 500 A CB -0.767 18.170 19.000 -0.106 0.000 0.821 500 A HN 0.209 nan 8.150 nan 0.000 0.443 501 T N -0.407 114.084 114.554 -0.104 0.000 2.720 501 T HA -0.188 2.257 4.350 -3.176 0.000 0.268 501 T C 2.071 176.712 174.700 -0.098 0.000 1.037 501 T CA 1.668 63.714 62.100 -0.090 0.000 1.144 501 T CB -0.279 68.544 68.868 -0.075 0.000 0.864 501 T HN 0.594 nan 8.240 nan 0.000 0.444 502 R N 0.734 121.174 120.500 -0.099 0.000 2.082 502 R HA -0.053 2.381 4.340 -3.176 0.000 0.234 502 R C 2.431 178.630 176.300 -0.169 0.000 1.136 502 R CA 1.671 57.709 56.100 -0.102 0.000 0.935 502 R CB -0.544 29.709 30.300 -0.078 0.000 0.842 502 R HN 0.366 nan 8.270 nan 0.000 0.430 503 I N 1.014 121.432 120.570 -0.253 0.000 2.335 503 I HA -0.273 1.991 4.170 -3.176 0.000 0.251 503 I C 2.257 178.168 176.117 -0.343 0.000 1.129 503 I CA 1.258 62.280 61.300 -0.463 0.000 1.402 503 I CB -0.172 37.503 38.000 -0.541 0.000 1.069 503 I HN 0.280 nan 8.210 nan 0.000 0.424 504 S N 0.585 116.160 115.700 -0.208 0.000 2.344 504 S HA -0.194 2.370 4.470 -3.176 0.000 0.217 504 S C 1.589 176.118 174.600 -0.118 0.000 1.033 504 S CA 1.459 59.575 58.200 -0.141 0.000 1.017 504 S CB -0.394 62.750 63.200 -0.094 0.000 0.941 504 S HN 0.435 nan 8.310 nan 0.000 0.430 505 D N 1.421 121.762 120.400 -0.100 0.000 2.239 505 D HA -0.094 2.641 4.640 -3.176 0.000 0.202 505 D C 1.776 178.035 176.300 -0.070 0.000 0.993 505 D CA 0.741 54.699 54.000 -0.071 0.000 0.874 505 D CB -0.318 40.447 40.800 -0.057 0.000 0.922 505 D HN 0.319 nan 8.370 nan 0.000 0.464 506 L N -0.183 120.976 121.223 -0.108 0.000 2.049 506 L HA -0.059 2.376 4.340 -3.176 0.000 0.203 506 L C 2.563 179.399 176.870 -0.056 0.000 1.074 506 L CA 0.561 55.352 54.840 -0.082 0.000 0.749 506 L CB -0.271 41.707 42.059 -0.136 0.000 0.907 506 L HN 0.001 nan 8.230 nan 0.000 0.439 507 L N -0.338 120.822 121.223 -0.106 0.000 2.056 507 L HA -0.158 2.276 4.340 -3.176 0.000 0.207 507 L C 1.570 178.421 176.870 -0.033 0.000 1.078 507 L CA 0.783 55.594 54.840 -0.049 0.000 0.749 507 L CB -0.416 41.596 42.059 -0.078 0.000 0.901 507 L HN 0.134 nan 8.230 nan 0.000 0.433 508 K N 1.967 122.338 120.400 -0.048 0.000 2.256 508 K HA 0.004 2.419 4.320 -3.176 0.000 0.213 508 K C -0.035 176.552 176.600 -0.021 0.000 1.182 508 K CA -0.053 56.214 56.287 -0.033 0.000 1.224 508 K CB -0.484 31.992 32.500 -0.040 0.000 1.197 508 K HN 0.166 nan 8.250 nan 0.000 0.223 509 L N 0.000 121.217 121.223 -0.011 0.000 2.949 509 L HA 0.000 2.435 4.340 -3.176 0.000 0.249 509 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 509 L CB 0.000 42.061 42.059 0.003 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502