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 1x8t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGTAMR DATA SEQUENCE PLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPDAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.286 176.300 -0.024 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 E N 2.136 122.322 120.200 -0.023 0.000 2.374 2 E HA 0.748 5.098 4.350 -0.001 0.000 0.260 2 E C -0.996 175.582 176.600 -0.038 0.000 1.101 2 E CA 0.230 56.615 56.400 -0.026 0.000 0.907 2 E CB 0.879 30.566 29.700 -0.020 0.000 1.014 2 E HN 0.812 nan 8.360 nan 0.000 0.427 3 S N 3.031 118.701 115.700 -0.049 0.000 2.588 3 S HA 0.546 5.015 4.470 -0.001 0.000 0.269 3 S C -1.316 173.224 174.600 -0.101 0.000 1.157 3 S CA -1.061 57.098 58.200 -0.068 0.000 0.824 3 S CB 1.129 64.305 63.200 -0.041 0.000 1.126 3 S HN 0.498 nan 8.310 nan 0.000 0.464 4 L N 1.155 122.287 121.223 -0.153 0.000 2.436 4 L HA 0.725 5.064 4.340 -0.001 0.000 0.268 4 L C -1.370 175.408 176.870 -0.154 0.000 0.974 4 L CA -0.206 54.504 54.840 -0.217 0.000 0.826 4 L CB 2.200 43.977 42.059 -0.469 0.000 1.291 4 L HN 0.923 nan 8.230 nan 0.000 0.406 5 T N 5.791 120.295 114.554 -0.084 0.000 2.758 5 T HA 0.497 4.847 4.350 -0.001 0.000 0.285 5 T C -0.276 174.419 174.700 -0.008 0.000 0.981 5 T CA -0.288 61.810 62.100 -0.003 0.000 0.965 5 T CB 0.993 69.892 68.868 0.052 0.000 0.927 5 T HN 0.377 nan 8.240 nan 0.000 0.448 6 L N 3.890 125.129 121.223 0.027 0.000 2.275 6 L HA 0.399 4.739 4.340 -0.001 0.000 0.288 6 L C 0.706 177.622 176.870 0.077 0.000 1.046 6 L CA -0.805 54.065 54.840 0.050 0.000 0.805 6 L CB 1.154 43.269 42.059 0.092 0.000 1.193 6 L HN 0.500 nan 8.230 nan 0.000 0.426 7 Q N 3.652 123.489 119.800 0.060 0.000 2.312 7 Q HA 0.292 4.631 4.340 -0.001 0.000 0.236 7 Q C -2.210 173.832 176.000 0.070 0.000 0.965 7 Q CA -1.910 53.931 55.803 0.063 0.000 0.894 7 Q CB 0.500 29.262 28.738 0.041 0.000 1.225 7 Q HN 0.340 nan 8.270 nan 0.000 0.478 8 P HA -0.071 nan 4.420 nan 0.000 0.263 8 P C -0.925 176.406 177.300 0.052 0.000 1.175 8 P CA 0.815 63.959 63.100 0.073 0.000 0.761 8 P CB 0.338 32.081 31.700 0.071 0.000 0.794 9 I N 2.210 122.808 120.570 0.046 0.000 2.330 9 I HA 0.240 4.410 4.170 -0.001 0.000 0.289 9 I C 1.296 177.420 176.117 0.012 0.000 1.001 9 I CA -0.401 60.914 61.300 0.025 0.000 1.193 9 I CB 1.624 39.636 38.000 0.021 0.000 1.345 9 I HN 0.370 nan 8.210 nan 0.000 0.461 10 A N 6.482 129.307 122.820 0.010 0.000 1.930 10 A HA 0.031 4.350 4.320 -0.001 0.000 0.217 10 A C 1.171 178.751 177.584 -0.008 0.000 1.175 10 A CA 1.215 53.255 52.037 0.005 0.000 0.627 10 A CB 0.083 19.087 19.000 0.007 0.000 0.815 10 A HN 0.766 nan 8.150 nan 0.000 0.443 11 R N -1.725 118.768 120.500 -0.012 0.000 2.664 11 R HA 0.457 4.796 4.340 -0.001 0.000 0.266 11 R C -1.951 174.338 176.300 -0.017 0.000 1.046 11 R CA -0.164 55.925 56.100 -0.019 0.000 0.885 11 R CB 1.766 32.057 30.300 -0.016 0.000 1.254 11 R HN 0.336 nan 8.270 nan 0.000 0.465 12 V N -0.162 119.739 119.914 -0.020 0.000 2.680 12 V HA 0.781 4.900 4.120 -0.001 0.000 0.309 12 V C -1.007 175.077 176.094 -0.016 0.000 1.052 12 V CA -0.463 61.831 62.300 -0.010 0.000 0.908 12 V CB 1.889 33.716 31.823 0.007 0.000 1.001 12 V HN 0.851 nan 8.190 nan 0.000 0.431 13 D N 1.403 121.790 120.400 -0.021 0.000 2.747 13 D HA 0.582 5.222 4.640 -0.001 0.000 0.218 13 D C -0.393 175.880 176.300 -0.046 0.000 1.230 13 D CA 0.734 54.715 54.000 -0.032 0.000 0.774 13 D CB 2.048 42.829 40.800 -0.032 0.000 1.667 13 D HN 1.456 nan 8.370 nan 0.000 0.499 14 G N 1.043 109.807 108.800 -0.060 0.000 2.356 14 G HA2 0.292 4.251 3.960 -0.001 0.000 0.288 14 G HA3 0.292 4.251 3.960 -0.001 0.000 0.288 14 G C -1.499 173.341 174.900 -0.100 0.000 1.302 14 G CA -0.483 44.569 45.100 -0.080 0.000 0.887 14 G HN 0.425 nan 8.290 nan 0.000 0.521 15 T N 0.886 115.370 114.554 -0.117 0.000 2.848 15 T HA 0.643 4.992 4.350 -0.001 0.000 0.285 15 T C -0.543 174.060 174.700 -0.161 0.000 0.995 15 T CA -0.418 61.604 62.100 -0.129 0.000 0.970 15 T CB 1.339 70.138 68.868 -0.116 0.000 0.976 15 T HN 0.495 nan 8.240 nan 0.000 0.441 16 I N 3.595 124.052 120.570 -0.189 0.000 2.406 16 I HA 0.339 4.508 4.170 -0.001 0.000 0.290 16 I C -0.256 175.778 176.117 -0.138 0.000 0.999 16 I CA -0.985 60.164 61.300 -0.253 0.000 1.124 16 I CB 1.760 39.441 38.000 -0.532 0.000 1.289 16 I HN 0.544 nan 8.210 nan 0.000 0.441 17 N N 7.317 125.956 118.700 -0.101 0.000 2.415 17 N HA 0.314 5.053 4.740 -0.001 0.000 0.246 17 N C -0.141 175.341 175.510 -0.047 0.000 1.078 17 N CA -0.374 52.644 53.050 -0.054 0.000 0.942 17 N CB 1.380 39.843 38.487 -0.040 0.000 1.140 17 N HN 0.457 nan 8.380 nan 0.000 0.501 18 L N 3.801 125.004 121.223 -0.034 0.000 2.514 18 L HA 0.112 4.452 4.340 -0.001 0.000 0.280 18 L C -1.451 175.357 176.870 -0.102 0.000 1.223 18 L CA -1.075 53.737 54.840 -0.046 0.000 0.864 18 L CB -0.050 42.000 42.059 -0.016 0.000 1.118 18 L HN 0.233 nan 8.230 nan 0.000 0.494 19 P HA 0.083 nan 4.420 nan 0.000 0.274 19 P C -0.152 177.051 177.300 -0.162 0.000 1.256 19 P CA -0.423 62.540 63.100 -0.230 0.000 0.795 19 P CB 0.496 31.910 31.700 -0.477 0.000 1.038 20 G N 0.303 109.041 108.800 -0.103 0.000 2.554 20 G HA2 0.162 4.121 3.960 -0.001 0.000 0.238 20 G HA3 0.162 4.121 3.960 -0.001 0.000 0.238 20 G C 0.085 174.951 174.900 -0.057 0.000 1.259 20 G CA -0.235 44.829 45.100 -0.060 0.000 0.843 20 G HN 0.529 nan 8.290 nan 0.000 0.582 21 S N 0.192 115.881 115.700 -0.019 0.000 2.516 21 S HA 0.042 4.512 4.470 -0.001 0.000 0.282 21 S C 1.602 176.209 174.600 0.012 0.000 1.286 21 S CA -0.310 57.891 58.200 0.003 0.000 1.066 21 S CB 0.836 64.056 63.200 0.034 0.000 0.884 21 S HN 0.683 nan 8.310 nan 0.000 0.491 22 K N 3.761 124.168 120.400 0.011 0.000 2.057 22 K HA -0.059 4.260 4.320 -0.001 0.000 0.206 22 K C 1.922 178.535 176.600 0.023 0.000 1.050 22 K CA 1.673 57.965 56.287 0.008 0.000 0.935 22 K CB -0.683 31.826 32.500 0.014 0.000 0.715 22 K HN 0.662 nan 8.250 nan 0.000 0.439 23 S N 0.792 116.527 115.700 0.059 0.000 2.359 23 S HA -0.116 4.353 4.470 -0.001 0.000 0.224 23 S C 2.061 176.699 174.600 0.063 0.000 1.035 23 S CA 1.465 59.714 58.200 0.081 0.000 1.018 23 S CB -0.224 63.086 63.200 0.183 0.000 0.876 23 S HN 0.138 nan 8.310 nan 0.000 0.448 24 V N 1.462 121.423 119.914 0.077 0.000 2.307 24 V HA -0.138 3.981 4.120 -0.001 0.000 0.245 24 V C 2.435 178.573 176.094 0.074 0.000 1.045 24 V CA 1.790 64.150 62.300 0.100 0.000 1.024 24 V CB -0.942 30.974 31.823 0.155 0.000 0.651 24 V HN 0.411 nan 8.190 nan 0.000 0.449 25 S N 0.798 116.530 115.700 0.054 0.000 2.359 25 S HA -0.239 4.230 4.470 -0.001 0.000 0.223 25 S C 1.878 176.459 174.600 -0.031 0.000 1.039 25 S CA 1.944 60.158 58.200 0.024 0.000 1.042 25 S CB -0.503 62.697 63.200 -0.000 0.000 0.915 25 S HN 0.595 nan 8.310 nan 0.000 0.439 26 N N 0.729 119.402 118.700 -0.045 0.000 2.331 26 N HA 0.052 4.791 4.740 -0.001 0.000 0.180 26 N C 1.739 177.178 175.510 -0.119 0.000 1.019 26 N CA 0.641 53.642 53.050 -0.080 0.000 0.881 26 N CB -0.187 38.260 38.487 -0.067 0.000 0.972 26 N HN 0.360 nan 8.380 nan 0.000 0.435 27 R N 0.415 120.851 120.500 -0.107 0.000 2.075 27 R HA 0.087 4.427 4.340 -0.001 0.000 0.232 27 R C 2.134 178.258 176.300 -0.293 0.000 1.126 27 R CA 1.241 57.237 56.100 -0.173 0.000 0.963 27 R CB -0.281 29.952 30.300 -0.112 0.000 0.858 27 R HN 0.142 nan 8.270 nan 0.000 0.435 28 A N 1.156 123.848 122.820 -0.213 0.000 1.933 28 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 28 A C 2.150 179.553 177.584 -0.302 0.000 1.175 28 A CA 1.149 53.027 52.037 -0.265 0.000 0.628 28 A CB -0.514 18.465 19.000 -0.035 0.000 0.814 28 A HN 0.179 nan 8.150 nan 0.000 0.444 29 L N -1.197 119.905 121.223 -0.202 0.000 2.017 29 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 29 L C 2.577 179.295 176.870 -0.252 0.000 1.073 29 L CA 1.263 55.988 54.840 -0.192 0.000 0.745 29 L CB -0.477 41.482 42.059 -0.166 0.000 0.894 29 L HN 0.494 nan 8.230 nan 0.000 0.432 30 L N -0.142 120.911 121.223 -0.283 0.000 2.017 30 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 30 L C 2.304 178.911 176.870 -0.439 0.000 1.073 30 L CA 1.750 56.413 54.840 -0.294 0.000 0.745 30 L CB -0.452 41.449 42.059 -0.263 0.000 0.894 30 L HN 0.094 nan 8.230 nan 0.000 0.432 31 L N -0.545 120.245 121.223 -0.721 0.000 2.046 31 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 31 L C 2.688 179.028 176.870 -0.883 0.000 1.077 31 L CA 1.142 55.300 54.840 -1.135 0.000 0.747 31 L CB -1.017 39.904 42.059 -1.897 0.000 0.896 31 L HN 0.399 nan 8.230 nan 0.000 0.432 32 A N 0.130 122.533 122.820 -0.695 0.000 1.933 32 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 32 A C 2.522 180.052 177.584 -0.089 0.000 1.175 32 A CA 1.756 53.710 52.037 -0.139 0.000 0.628 32 A CB -0.603 18.400 19.000 0.005 0.000 0.814 32 A HN 0.411 nan 8.150 nan 0.000 0.444 33 A N -0.515 122.214 122.820 -0.152 0.000 1.930 33 A HA 0.073 4.393 4.320 -0.001 0.000 0.217 33 A C 2.080 179.607 177.584 -0.095 0.000 1.175 33 A CA 1.349 53.331 52.037 -0.092 0.000 0.627 33 A CB -0.447 18.495 19.000 -0.095 0.000 0.815 33 A HN 0.464 nan 8.150 nan 0.000 0.443 34 L N -0.800 120.347 121.223 -0.127 0.000 2.270 34 L HA 0.125 4.465 4.340 -0.001 0.000 0.210 34 L C 1.686 178.565 176.870 0.014 0.000 1.104 34 L CA 0.136 54.941 54.840 -0.057 0.000 0.804 34 L CB -0.527 41.526 42.059 -0.010 0.000 0.937 34 L HN 0.387 nan 8.230 nan 0.000 0.450 35 A N -0.738 122.113 122.820 0.051 0.000 2.327 35 A HA 0.224 4.544 4.320 -0.001 0.000 0.255 35 A C -0.682 176.939 177.584 0.062 0.000 1.099 35 A CA -0.152 52.002 52.037 0.195 0.000 0.801 35 A CB -0.084 19.112 19.000 0.326 0.000 1.062 35 A HN 0.250 nan 8.150 nan 0.000 0.496 36 H N -0.760 118.388 119.070 0.130 0.000 2.489 36 H HA 0.560 5.115 4.556 -0.001 0.000 0.322 36 H C 0.819 176.200 175.328 0.088 0.000 1.091 36 H CA 0.958 57.060 56.048 0.089 0.000 1.291 36 H CB 1.104 30.910 29.762 0.073 0.000 1.436 36 H HN 1.374 nan 8.280 nan 0.000 0.480 37 G N 1.617 110.509 108.800 0.154 0.000 2.592 37 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.684 37 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.684 37 G C -1.013 173.944 174.900 0.095 0.000 1.291 37 G CA -0.866 44.303 45.100 0.116 0.000 0.891 37 G HN 0.711 nan 8.290 nan 0.000 0.544 38 K N 0.084 120.532 120.400 0.081 0.000 2.211 38 K HA 0.654 4.973 4.320 -0.001 0.000 0.275 38 K C -0.258 176.392 176.600 0.085 0.000 1.024 38 K CA -0.322 56.012 56.287 0.078 0.000 0.887 38 K CB 0.857 33.395 32.500 0.063 0.000 1.084 38 K HN 0.546 nan 8.250 nan 0.000 0.463 39 T N 2.870 117.487 114.554 0.106 0.000 2.824 39 T HA 0.318 4.667 4.350 -0.001 0.000 0.280 39 T C -0.908 173.856 174.700 0.106 0.000 0.995 39 T CA -0.622 61.548 62.100 0.116 0.000 1.009 39 T CB 1.422 70.412 68.868 0.203 0.000 0.955 39 T HN 0.302 nan 8.240 nan 0.000 0.452 40 V N 5.081 125.052 119.914 0.096 0.000 2.326 40 V HA 0.383 4.502 4.120 -0.001 0.000 0.281 40 V C -0.202 175.961 176.094 0.114 0.000 1.015 40 V CA -0.761 61.593 62.300 0.090 0.000 0.823 40 V CB 0.867 32.729 31.823 0.065 0.000 1.009 40 V HN 0.713 nan 8.190 nan 0.000 0.436 41 L N 5.234 126.529 121.223 0.120 0.000 2.292 41 L HA 0.668 5.008 4.340 -0.001 0.000 0.284 41 L C 0.586 177.507 176.870 0.086 0.000 1.065 41 L CA -0.131 54.799 54.840 0.150 0.000 0.806 41 L CB 1.746 43.894 42.059 0.148 0.000 1.175 41 L HN 0.741 nan 8.230 nan 0.000 0.431 42 T N -1.275 113.316 114.554 0.061 0.000 2.908 42 T HA 0.286 4.635 4.350 -0.001 0.000 0.290 42 T C 0.381 175.082 174.700 0.003 0.000 1.034 42 T CA -0.756 61.356 62.100 0.020 0.000 1.010 42 T CB 1.748 70.614 68.868 -0.003 0.000 1.068 42 T HN 0.793 nan 8.240 nan 0.000 0.481 43 N N -0.310 118.388 118.700 -0.003 0.000 2.741 43 N HA -0.164 4.576 4.740 -0.001 0.000 0.250 43 N C -0.424 175.083 175.510 -0.004 0.000 1.115 43 N CA -0.042 53.000 53.050 -0.013 0.000 0.724 43 N CB -0.831 37.637 38.487 -0.031 0.000 1.090 43 N HN 0.705 nan 8.380 nan 0.000 0.558 44 L N 1.593 122.821 121.223 0.010 0.000 2.456 44 L HA 0.267 4.606 4.340 -0.001 0.000 0.272 44 L C 0.278 177.141 176.870 -0.011 0.000 1.189 44 L CA 0.046 54.892 54.840 0.010 0.000 0.846 44 L CB 0.566 42.630 42.059 0.008 0.000 1.111 44 L HN 0.226 nan 8.230 nan 0.000 0.475 45 L N 4.295 125.506 121.223 -0.020 0.000 2.367 45 L HA 0.275 4.614 4.340 -0.001 0.000 0.275 45 L C -0.635 176.216 176.870 -0.032 0.000 1.129 45 L CA 0.266 55.084 54.840 -0.036 0.000 0.839 45 L CB 0.554 42.586 42.059 -0.045 0.000 1.133 45 L HN 0.728 nan 8.230 nan 0.000 0.453 46 D N 3.540 123.927 120.400 -0.022 0.000 2.454 46 D HA 0.551 5.190 4.640 -0.001 0.000 0.225 46 D C -0.956 175.339 176.300 -0.009 0.000 1.081 46 D CA 0.148 54.140 54.000 -0.013 0.000 0.864 46 D CB 0.705 41.509 40.800 0.007 0.000 1.040 46 D HN 0.716 nan 8.370 nan 0.000 0.517 47 S N 2.151 117.828 115.700 -0.038 0.000 2.643 47 S HA 0.295 4.765 4.470 -0.001 0.000 0.270 47 S C 0.324 174.846 174.600 -0.129 0.000 1.166 47 S CA -0.802 57.372 58.200 -0.044 0.000 0.815 47 S CB 1.149 64.334 63.200 -0.025 0.000 1.139 47 S HN 0.080 nan 8.310 nan 0.000 0.472 48 D N 1.085 121.378 120.400 -0.179 0.000 2.123 48 D HA -0.075 4.564 4.640 -0.001 0.000 0.196 48 D C 1.124 177.102 176.300 -0.537 0.000 0.992 48 D CA 1.665 55.416 54.000 -0.414 0.000 0.833 48 D CB -0.413 40.192 40.800 -0.325 0.000 0.954 48 D HN 0.605 nan 8.370 nan 0.000 0.455 49 D N -0.197 120.046 120.400 -0.262 0.000 2.123 49 D HA -0.103 4.537 4.640 -0.001 0.000 0.196 49 D C 2.201 178.430 176.300 -0.118 0.000 0.992 49 D CA 0.461 54.370 54.000 -0.151 0.000 0.833 49 D CB -0.116 40.623 40.800 -0.101 0.000 0.954 49 D HN 0.067 nan 8.370 nan 0.000 0.455 50 V N 0.348 120.189 119.914 -0.121 0.000 2.379 50 V HA -0.140 3.979 4.120 -0.001 0.000 0.245 50 V C 2.484 178.520 176.094 -0.097 0.000 1.044 50 V CA 1.343 63.587 62.300 -0.095 0.000 1.036 50 V CB -0.379 31.396 31.823 -0.081 0.000 0.664 50 V HN 0.118 nan 8.190 nan 0.000 0.453 51 R N -0.609 119.813 120.500 -0.131 0.000 2.091 51 R HA -0.208 4.131 4.340 -0.001 0.000 0.238 51 R C 2.374 178.693 176.300 0.032 0.000 1.136 51 R CA 1.836 57.891 56.100 -0.075 0.000 0.959 51 R CB -0.295 29.940 30.300 -0.108 0.000 0.856 51 R HN 0.564 nan 8.270 nan 0.000 0.437 52 H N -0.085 118.987 119.070 0.004 0.000 2.389 52 H HA -0.110 4.445 4.556 -0.001 0.000 0.299 52 H C 1.845 177.169 175.328 -0.007 0.000 1.081 52 H CA 1.698 57.755 56.048 0.015 0.000 1.345 52 H CB -0.331 29.428 29.762 -0.005 0.000 1.393 52 H HN 0.237 nan 8.280 nan 0.000 0.520 53 M N 0.564 120.208 119.600 0.073 0.000 2.099 53 M HA -0.070 4.409 4.480 -0.001 0.000 0.262 53 M C 2.013 178.300 176.300 -0.022 0.000 1.067 53 M CA 1.359 56.659 55.300 -0.001 0.000 1.124 53 M CB -0.701 31.867 32.600 -0.054 0.000 1.353 53 M HN 0.151 nan 8.290 nan 0.000 0.410 54 L N -0.143 121.043 121.223 -0.062 0.000 2.042 54 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 54 L C 2.101 179.030 176.870 0.098 0.000 1.076 54 L CA 1.789 56.551 54.840 -0.131 0.000 0.749 54 L CB -1.002 40.923 42.059 -0.222 0.000 0.893 54 L HN 0.488 nan 8.230 nan 0.000 0.432 55 N N -0.307 118.473 118.700 0.134 0.000 2.120 55 N HA -0.181 4.559 4.740 -0.001 0.000 0.188 55 N C 1.932 177.523 175.510 0.135 0.000 1.024 55 N CA 1.020 54.170 53.050 0.166 0.000 0.852 55 N CB -0.158 38.439 38.487 0.184 0.000 1.003 55 N HN 0.330 nan 8.380 nan 0.000 0.424 56 A N 1.417 124.297 122.820 0.101 0.000 1.902 56 A HA -0.077 4.243 4.320 -0.001 0.000 0.217 56 A C 2.156 179.781 177.584 0.067 0.000 1.181 56 A CA 0.938 53.017 52.037 0.070 0.000 0.623 56 A CB -0.663 18.357 19.000 0.033 0.000 0.818 56 A HN 0.168 nan 8.150 nan 0.000 0.443 57 L N -0.773 120.493 121.223 0.072 0.000 2.046 57 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 57 L C 2.794 179.751 176.870 0.145 0.000 1.077 57 L CA 1.812 56.705 54.840 0.087 0.000 0.747 57 L CB -1.047 41.054 42.059 0.071 0.000 0.896 57 L HN 0.349 nan 8.230 nan 0.000 0.432 58 T N 0.018 114.700 114.554 0.214 0.000 2.684 58 T HA -0.192 4.158 4.350 -0.001 0.000 0.267 58 T C 1.997 176.743 174.700 0.078 0.000 1.036 58 T CA 1.436 63.626 62.100 0.148 0.000 1.148 58 T CB -0.230 68.724 68.868 0.143 0.000 0.863 58 T HN 0.462 nan 8.240 nan 0.000 0.436 59 A N 1.033 123.901 122.820 0.079 0.000 1.972 59 A HA 0.045 4.364 4.320 -0.001 0.000 0.219 59 A C 2.090 179.702 177.584 0.045 0.000 1.169 59 A CA 1.134 53.205 52.037 0.057 0.000 0.635 59 A CB -0.741 18.298 19.000 0.065 0.000 0.810 59 A HN 0.512 nan 8.150 nan 0.000 0.446 60 L N -1.134 120.117 121.223 0.046 0.000 2.599 60 L HA 0.164 4.504 4.340 -0.001 0.000 0.230 60 L C 1.631 178.516 176.870 0.027 0.000 1.141 60 L CA 0.522 55.381 54.840 0.031 0.000 0.877 60 L CB -0.216 41.854 42.059 0.017 0.000 1.009 60 L HN 0.600 nan 8.230 nan 0.000 0.447 61 G N -0.289 108.530 108.800 0.032 0.000 2.157 61 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.248 61 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.248 61 G C 0.203 175.117 174.900 0.022 0.000 0.979 61 G CA -0.010 45.103 45.100 0.022 0.000 0.650 61 G HN 0.098 nan 8.290 nan 0.000 0.529 62 V N 1.430 121.373 119.914 0.047 0.000 2.530 62 V HA 0.541 4.660 4.120 -0.001 0.000 0.282 62 V C 0.825 176.969 176.094 0.083 0.000 1.048 62 V CA 0.154 62.495 62.300 0.069 0.000 0.997 62 V CB 1.629 33.510 31.823 0.098 0.000 0.987 62 V HN 0.357 nan 8.190 nan 0.000 0.477 63 S N 4.759 120.490 115.700 0.051 0.000 2.508 63 S HA 0.773 5.243 4.470 -0.001 0.000 0.284 63 S C -0.794 173.852 174.600 0.076 0.000 1.192 63 S CA -0.446 57.744 58.200 -0.018 0.000 1.070 63 S CB 0.791 63.976 63.200 -0.025 0.000 1.004 63 S HN 0.742 nan 8.310 nan 0.000 0.493 64 Y N -0.986 119.320 120.300 0.010 0.000 2.656 64 Y HA 0.758 5.308 4.550 -0.001 0.000 0.334 64 Y C -0.755 175.154 175.900 0.016 0.000 1.179 64 Y CA -1.281 56.828 58.100 0.015 0.000 1.050 64 Y CB 0.683 39.152 38.460 0.014 0.000 1.308 64 Y HN 0.572 nan 8.280 nan 0.000 0.456 65 T N 0.628 115.333 114.554 0.252 0.000 2.893 65 T HA 0.783 5.132 4.350 -0.001 0.000 0.293 65 T C -1.384 173.455 174.700 0.231 0.000 1.027 65 T CA -0.739 61.455 62.100 0.157 0.000 0.988 65 T CB 1.594 70.504 68.868 0.069 0.000 1.043 65 T HN 0.869 nan 8.240 nan 0.000 0.461 66 L N 2.621 123.957 121.223 0.190 0.000 2.342 66 L HA 0.629 4.968 4.340 -0.001 0.000 0.271 66 L C 0.957 177.878 176.870 0.085 0.000 1.008 66 L CA -1.058 53.867 54.840 0.142 0.000 0.818 66 L CB 2.348 44.500 42.059 0.155 0.000 1.296 66 L HN 1.047 nan 8.230 nan 0.000 0.427 67 S N 1.161 116.899 115.700 0.063 0.000 2.617 67 S HA 0.304 4.773 4.470 -0.001 0.000 0.259 67 S C 1.175 175.800 174.600 0.042 0.000 1.301 67 S CA -0.020 58.208 58.200 0.046 0.000 0.984 67 S CB 1.310 64.531 63.200 0.036 0.000 0.954 67 S HN 0.720 nan 8.310 nan 0.000 0.572 68 A N 1.279 124.118 122.820 0.033 0.000 1.892 68 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 68 A C 1.643 179.245 177.584 0.030 0.000 1.188 68 A CA 1.937 53.992 52.037 0.030 0.000 0.631 68 A CB -1.375 17.640 19.000 0.024 0.000 0.822 68 A HN 0.987 nan 8.150 nan 0.000 0.447 69 D N -1.713 118.703 120.400 0.027 0.000 2.324 69 D HA 0.045 4.684 4.640 -0.001 0.000 0.235 69 D C 0.622 176.937 176.300 0.026 0.000 1.095 69 D CA 0.032 54.047 54.000 0.026 0.000 0.871 69 D CB -0.658 40.155 40.800 0.021 0.000 0.906 69 D HN 0.478 nan 8.370 nan 0.000 0.522 70 R N -1.283 119.236 120.500 0.032 0.000 3.741 70 R HA -0.191 4.148 4.340 -0.001 0.000 0.292 70 R C 0.728 177.040 176.300 0.019 0.000 1.176 70 R CA 1.355 57.475 56.100 0.032 0.000 0.794 70 R CB -2.937 27.381 30.300 0.030 0.000 1.213 70 R HN 0.540 nan 8.270 nan 0.000 0.494 71 T N -3.480 111.085 114.554 0.018 0.000 3.040 71 T HA 0.125 4.475 4.350 -0.001 0.000 0.250 71 T C 0.652 175.362 174.700 0.017 0.000 1.058 71 T CA -0.187 61.919 62.100 0.011 0.000 0.988 71 T CB 0.385 69.257 68.868 0.006 0.000 0.993 71 T HN 0.297 nan 8.240 nan 0.000 0.519 72 R N 0.060 120.576 120.500 0.027 0.000 2.439 72 R HA 0.645 4.984 4.340 -0.001 0.000 0.310 72 R C -1.830 174.499 176.300 0.048 0.000 0.955 72 R CA -0.684 55.437 56.100 0.035 0.000 0.853 72 R CB 1.417 31.737 30.300 0.034 0.000 1.171 72 R HN 0.309 nan 8.270 nan 0.000 0.449 73 C N 4.083 123.415 119.300 0.053 0.000 2.431 73 C HA 0.448 4.907 4.460 -0.001 0.000 0.321 73 C C -0.847 174.193 174.990 0.085 0.000 1.202 73 C CA -0.479 58.579 59.018 0.066 0.000 1.398 73 C CB 1.406 29.150 27.740 0.006 0.000 2.047 73 C HN 0.880 nan 8.230 nan 0.000 0.465 74 E N 4.930 125.198 120.200 0.114 0.000 2.092 74 E HA 0.442 4.791 4.350 -0.001 0.000 0.271 74 E C -0.966 175.719 176.600 0.142 0.000 0.919 74 E CA -0.230 56.235 56.400 0.108 0.000 0.760 74 E CB 1.248 31.001 29.700 0.089 0.000 1.106 74 E HN 0.566 nan 8.360 nan 0.000 0.408 75 I N 3.498 124.142 120.570 0.124 0.000 2.359 75 I HA 0.168 4.337 4.170 -0.001 0.000 0.294 75 I C -0.128 176.051 176.117 0.104 0.000 0.987 75 I CA -0.599 60.782 61.300 0.135 0.000 1.225 75 I CB 1.073 39.128 38.000 0.092 0.000 1.366 75 I HN 0.393 nan 8.210 nan 0.000 0.466 76 I N 5.519 126.147 120.570 0.096 0.000 2.281 76 I HA 0.231 4.400 4.170 -0.001 0.000 0.293 76 I C 1.059 177.203 176.117 0.044 0.000 1.085 76 I CA -0.097 61.240 61.300 0.062 0.000 1.257 76 I CB 0.047 38.075 38.000 0.046 0.000 1.430 76 I HN 0.673 nan 8.210 nan 0.000 0.489 77 G N 4.452 113.276 108.800 0.040 0.000 2.414 77 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.236 77 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.236 77 G C 0.830 175.699 174.900 -0.051 0.000 1.293 77 G CA -0.138 44.965 45.100 0.004 0.000 0.869 77 G HN 0.721 nan 8.290 nan 0.000 0.556 78 N N 0.600 119.247 118.700 -0.088 0.000 2.409 78 N HA 0.064 4.803 4.740 -0.001 0.000 0.179 78 N C 1.781 177.159 175.510 -0.220 0.000 1.032 78 N CA 1.466 54.445 53.050 -0.118 0.000 0.898 78 N CB -0.060 38.356 38.487 -0.117 0.000 0.971 78 N HN 1.124 nan 8.380 nan 0.000 0.441 79 G N -1.234 107.323 108.800 -0.405 0.000 2.256 79 G HA2 0.107 4.066 3.960 -0.001 0.000 0.272 79 G HA3 0.107 4.066 3.960 -0.001 0.000 0.272 79 G C 0.353 174.886 174.900 -0.611 0.000 1.076 79 G CA 0.479 44.943 45.100 -1.060 0.000 0.882 79 G HN 0.910 nan 8.290 nan 0.000 0.497 80 G N -1.649 106.987 108.800 -0.275 0.000 2.353 80 G HA2 0.440 4.399 3.960 -0.001 0.000 0.424 80 G HA3 0.440 4.399 3.960 -0.001 0.000 0.424 80 G C -2.854 171.978 174.900 -0.112 0.000 1.320 80 G CA -0.147 44.911 45.100 -0.070 0.000 0.995 80 G HN 0.595 nan 8.290 nan 0.000 0.580 81 P HA 0.230 nan 4.420 nan 0.000 0.264 81 P C 0.299 177.361 177.300 -0.398 0.000 1.173 81 P CA 0.132 63.139 63.100 -0.154 0.000 0.761 81 P CB 0.291 31.962 31.700 -0.049 0.000 0.794 82 L N 4.382 125.447 121.223 -0.264 0.000 2.397 82 L HA 0.212 4.551 4.340 -0.001 0.000 0.271 82 L C 0.857 177.572 176.870 -0.259 0.000 1.148 82 L CA -0.245 54.436 54.840 -0.265 0.000 0.825 82 L CB 0.169 42.161 42.059 -0.113 0.000 1.117 82 L HN 0.442 nan 8.230 nan 0.000 0.456 83 H N 2.409 121.484 119.070 0.008 0.000 2.459 83 H HA 0.686 5.242 4.556 -0.001 0.000 0.332 83 H C -0.600 174.734 175.328 0.010 0.000 1.094 83 H CA -0.821 55.233 56.048 0.010 0.000 1.224 83 H CB 1.917 31.685 29.762 0.011 0.000 1.449 83 H HN 0.647 nan 8.280 nan 0.000 0.484 84 A N 3.474 126.377 122.820 0.137 0.000 2.442 84 A HA 0.457 4.776 4.320 -0.001 0.000 0.284 84 A C -0.224 177.394 177.584 0.058 0.000 1.058 84 A CA -0.868 51.214 52.037 0.076 0.000 0.738 84 A CB 1.354 20.384 19.000 0.051 0.000 1.242 84 A HN 0.805 nan 8.150 nan 0.000 0.421 85 E N 0.943 121.169 120.200 0.044 0.000 2.370 85 E HA 0.782 5.131 4.350 -0.001 0.000 0.259 85 E C 0.619 177.233 176.600 0.022 0.000 0.947 85 E CA -0.819 55.598 56.400 0.028 0.000 0.809 85 E CB 1.384 31.095 29.700 0.017 0.000 1.300 85 E HN 1.832 nan 8.360 nan 0.000 0.419 86 G N -0.475 108.335 108.800 0.016 0.000 2.175 86 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.244 86 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.244 86 G C 0.786 175.695 174.900 0.015 0.000 0.982 86 G CA 0.265 45.374 45.100 0.014 0.000 0.641 86 G HN 1.690 nan 8.290 nan 0.000 0.527 87 A N -1.534 121.296 122.820 0.017 0.000 2.745 87 A HA -0.134 4.186 4.320 -0.001 0.000 0.296 87 A C 0.778 178.374 177.584 0.020 0.000 1.500 87 A CA 1.674 53.721 52.037 0.017 0.000 0.766 87 A CB -1.838 17.171 19.000 0.014 0.000 1.030 87 A HN 1.534 nan 8.150 nan 0.000 0.489 88 L N -0.525 120.713 121.223 0.023 0.000 2.456 88 L HA 0.410 4.749 4.340 -0.001 0.000 0.257 88 L C 1.014 177.905 176.870 0.035 0.000 1.162 88 L CA -0.266 54.591 54.840 0.027 0.000 0.808 88 L CB 0.696 42.772 42.059 0.028 0.000 1.136 88 L HN 0.632 nan 8.230 nan 0.000 0.466 89 E N 1.502 121.729 120.200 0.044 0.000 2.227 89 E HA 0.301 4.651 4.350 -0.001 0.000 0.282 89 E C -1.440 175.208 176.600 0.079 0.000 1.015 89 E CA -0.831 55.608 56.400 0.064 0.000 0.823 89 E CB 1.575 31.325 29.700 0.083 0.000 1.081 89 E HN 0.262 nan 8.360 nan 0.000 0.396 90 L N 6.283 127.551 121.223 0.075 0.000 2.294 90 L HA 0.385 4.724 4.340 -0.001 0.000 0.283 90 L C -1.534 175.395 176.870 0.099 0.000 1.015 90 L CA -0.397 54.489 54.840 0.076 0.000 0.831 90 L CB 0.755 42.835 42.059 0.034 0.000 1.217 90 L HN 0.501 nan 8.230 nan 0.000 0.420 91 F N 5.638 125.575 119.950 -0.022 0.000 2.404 91 F HA 0.385 4.912 4.527 -0.001 0.000 0.358 91 F C 0.369 176.130 175.800 -0.065 0.000 1.120 91 F CA -0.345 57.628 58.000 -0.045 0.000 1.144 91 F CB 0.840 39.808 39.000 -0.052 0.000 1.133 91 F HN 0.458 nan 8.300 nan 0.000 0.495 92 L N 6.404 127.352 121.223 -0.459 0.000 2.741 92 L HA 0.283 4.622 4.340 -0.001 0.000 0.237 92 L C 1.555 178.145 176.870 -0.467 0.000 1.178 92 L CA 0.316 54.971 54.840 -0.309 0.000 0.973 92 L CB -0.852 41.082 42.059 -0.207 0.000 1.255 92 L HN 1.008 nan 8.230 nan 0.000 0.498 93 G N 2.035 110.324 108.800 -0.852 0.000 2.686 93 G HA2 -0.471 3.488 3.960 -0.001 0.000 0.329 93 G HA3 -0.471 3.488 3.960 -0.001 0.000 0.329 93 G C 0.599 175.220 174.900 -0.464 0.000 1.187 93 G CA 0.972 45.576 45.100 -0.827 0.000 0.965 93 G HN 0.510 nan 8.290 nan 0.000 0.549 94 N N 0.794 119.401 118.700 -0.155 0.000 2.301 94 N HA 0.529 5.269 4.740 -0.001 0.000 0.247 94 N C 0.137 175.661 175.510 0.023 0.000 1.347 94 N CA 1.168 54.201 53.050 -0.028 0.000 0.844 94 N CB 0.436 38.945 38.487 0.037 0.000 1.332 94 N HN 1.047 nan 8.380 nan 0.000 0.494 95 A N -0.116 122.730 122.820 0.044 0.000 2.527 95 A HA 0.568 4.888 4.320 -0.001 0.000 0.313 95 A C 1.448 179.011 177.584 -0.035 0.000 1.410 95 A CA -0.104 51.943 52.037 0.016 0.000 1.060 95 A CB -0.248 18.785 19.000 0.055 0.000 1.137 95 A HN 0.336 nan 8.150 nan 0.000 0.542 96 G N 1.442 110.214 108.800 -0.046 0.000 2.422 96 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.218 96 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.218 96 G C 1.318 176.183 174.900 -0.057 0.000 1.140 96 G CA 1.492 46.563 45.100 -0.050 0.000 0.775 96 G HN 0.823 nan 8.290 nan 0.000 0.545 97 T N -1.748 112.768 114.554 -0.064 0.000 3.160 97 T HA 0.504 4.854 4.350 -0.001 0.000 0.257 97 T C 1.922 176.585 174.700 -0.061 0.000 1.147 97 T CA 1.107 63.166 62.100 -0.068 0.000 1.064 97 T CB 0.370 69.199 68.868 -0.065 0.000 0.949 97 T HN 0.288 nan 8.240 nan 0.000 0.526 98 A N 1.068 123.857 122.820 -0.051 0.000 1.969 98 A HA 0.452 4.772 4.320 -0.001 0.000 0.205 98 A C 2.035 179.589 177.584 -0.051 0.000 1.364 98 A CA 0.641 52.647 52.037 -0.051 0.000 0.756 98 A CB -0.536 18.443 19.000 -0.034 0.000 0.988 98 A HN 0.376 nan 8.150 nan 0.000 0.490 99 M N 0.303 119.873 119.600 -0.048 0.000 2.082 99 M HA -0.160 4.320 4.480 -0.001 0.000 0.258 99 M C 1.964 178.253 176.300 -0.018 0.000 1.071 99 M CA 1.943 57.219 55.300 -0.040 0.000 1.103 99 M CB -0.513 32.065 32.600 -0.037 0.000 1.307 99 M HN 0.281 nan 8.290 nan 0.000 0.409 100 R N -0.245 120.254 120.500 -0.002 0.000 2.070 100 R HA -0.047 4.292 4.340 -0.001 0.000 0.233 100 R C -0.479 175.817 176.300 -0.006 0.000 1.137 100 R CA 2.156 58.276 56.100 0.034 0.000 0.945 100 R CB -2.329 28.001 30.300 0.050 0.000 0.845 100 R HN 0.348 nan 8.270 nan 0.000 0.430 101 P HA -0.110 nan 4.420 nan 0.000 0.216 101 P C 0.933 178.188 177.300 -0.074 0.000 1.153 101 P CA 1.194 64.253 63.100 -0.067 0.000 0.848 101 P CB 0.038 31.686 31.700 -0.088 0.000 0.787 102 L N -1.293 119.891 121.223 -0.065 0.000 2.141 102 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 102 L C 2.443 179.280 176.870 -0.056 0.000 1.094 102 L CA 1.205 56.009 54.840 -0.061 0.000 0.763 102 L CB -1.083 40.946 42.059 -0.051 0.000 0.908 102 L HN -0.050 nan 8.230 nan 0.000 0.437 103 A N 0.238 123.028 122.820 -0.049 0.000 1.908 103 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 103 A C 2.515 180.053 177.584 -0.077 0.000 1.181 103 A CA 1.914 53.920 52.037 -0.051 0.000 0.627 103 A CB -0.588 18.390 19.000 -0.036 0.000 0.818 103 A HN 0.406 nan 8.150 nan 0.000 0.445 104 A N -0.336 122.425 122.820 -0.098 0.000 1.854 104 A HA 0.281 4.601 4.320 -0.001 0.000 0.214 104 A C 2.535 180.016 177.584 -0.171 0.000 1.192 104 A CA 1.838 53.770 52.037 -0.174 0.000 0.611 104 A CB -1.142 17.740 19.000 -0.197 0.000 0.832 104 A HN 1.072 nan 8.150 nan 0.000 0.442 105 A N -0.185 122.563 122.820 -0.120 0.000 1.940 105 A HA -0.054 4.265 4.320 -0.001 0.000 0.219 105 A C 1.922 179.475 177.584 -0.051 0.000 1.176 105 A CA 1.495 53.481 52.037 -0.085 0.000 0.631 105 A CB -0.654 18.301 19.000 -0.075 0.000 0.814 105 A HN 0.468 nan 8.150 nan 0.000 0.446 106 L N -0.828 120.369 121.223 -0.044 0.000 2.650 106 L HA -0.056 4.284 4.340 -0.001 0.000 0.235 106 L C 1.403 178.277 176.870 0.006 0.000 1.149 106 L CA -0.191 54.640 54.840 -0.014 0.000 0.887 106 L CB -0.320 41.731 42.059 -0.014 0.000 1.021 106 L HN 0.437 nan 8.230 nan 0.000 0.441 107 C N -0.209 119.088 119.300 -0.005 0.000 2.697 107 C HA 0.195 4.654 4.460 -0.001 0.000 0.267 107 C C 1.293 176.352 174.990 0.115 0.000 1.278 107 C CA -0.630 58.413 59.018 0.042 0.000 1.708 107 C CB -0.785 26.967 27.740 0.020 0.000 1.860 107 C HN 0.243 nan 8.230 nan 0.000 0.589 108 L N 1.250 122.530 121.223 0.095 0.000 2.331 108 L HA 0.519 4.859 4.340 -0.001 0.000 0.278 108 L C 1.126 178.078 176.870 0.137 0.000 1.106 108 L CA 1.052 55.977 54.840 0.141 0.000 0.824 108 L CB 0.155 42.279 42.059 0.109 0.000 1.142 108 L HN 0.549 nan 8.230 nan 0.000 0.443 109 G N 2.879 111.760 108.800 0.135 0.000 2.499 109 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.232 109 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.232 109 G C 0.021 174.967 174.900 0.077 0.000 1.251 109 G CA -0.104 45.066 45.100 0.118 0.000 0.917 109 G HN 0.531 nan 8.290 nan 0.000 0.580 110 S N 1.836 117.568 115.700 0.054 0.000 2.592 110 S HA 0.354 4.824 4.470 -0.001 0.000 0.243 110 S C 0.410 175.029 174.600 0.032 0.000 1.160 110 S CA -0.516 57.700 58.200 0.028 0.000 1.145 110 S CB -0.014 63.185 63.200 -0.002 0.000 0.909 110 S HN 0.594 nan 8.310 nan 0.000 0.487 111 N N 2.650 121.384 118.700 0.058 0.000 2.288 111 N HA 0.216 4.955 4.740 -0.001 0.000 0.237 111 N C -0.509 175.020 175.510 0.031 0.000 1.311 111 N CA 0.239 53.321 53.050 0.054 0.000 0.909 111 N CB 0.340 38.866 38.487 0.065 0.000 1.167 111 N HN 0.233 nan 8.380 nan 0.000 0.476 112 D N 0.397 120.813 120.400 0.027 0.000 2.354 112 D HA 0.408 5.048 4.640 -0.001 0.000 0.230 112 D C -1.336 174.975 176.300 0.019 0.000 1.361 112 D CA -0.277 53.734 54.000 0.017 0.000 0.992 112 D CB 0.157 40.965 40.800 0.014 0.000 1.409 112 D HN 0.470 nan 8.370 nan 0.000 0.573 113 I N 1.970 122.549 120.570 0.015 0.000 2.913 113 I HA 0.524 4.693 4.170 -0.001 0.000 0.302 113 I C -1.589 174.535 176.117 0.010 0.000 1.246 113 I CA -0.757 60.553 61.300 0.016 0.000 1.010 113 I CB 2.298 40.310 38.000 0.019 0.000 1.259 113 I HN 0.031 nan 8.210 nan 0.000 0.434 114 V N 6.985 126.909 119.914 0.017 0.000 2.384 114 V HA 0.437 4.556 4.120 -0.001 0.000 0.287 114 V C -0.167 175.937 176.094 0.016 0.000 1.020 114 V CA -0.532 61.777 62.300 0.016 0.000 0.850 114 V CB 1.499 33.338 31.823 0.027 0.000 0.987 114 V HN 0.449 nan 8.190 nan 0.000 0.436 115 L N 4.654 125.878 121.223 0.001 0.000 2.289 115 L HA 0.737 5.077 4.340 -0.001 0.000 0.285 115 L C 0.222 177.077 176.870 -0.024 0.000 1.049 115 L CA 0.199 55.030 54.840 -0.016 0.000 0.804 115 L CB 1.722 43.764 42.059 -0.028 0.000 1.195 115 L HN 0.751 nan 8.230 nan 0.000 0.428 116 T N 1.211 115.724 114.554 -0.069 0.000 2.648 116 T HA 0.830 5.179 4.350 -0.001 0.000 0.304 116 T C -0.623 173.851 174.700 -0.377 0.000 1.312 116 T CA 0.187 62.218 62.100 -0.115 0.000 1.023 116 T CB 2.022 70.887 68.868 -0.005 0.000 1.612 116 T HN 0.855 nan 8.240 nan 0.000 0.487 117 G N -0.019 108.466 108.800 -0.524 0.000 2.500 117 G HA2 0.503 4.463 3.960 -0.001 0.000 0.299 117 G HA3 0.503 4.463 3.960 -0.001 0.000 0.299 117 G C -1.446 173.074 174.900 -0.633 0.000 1.242 117 G CA -0.673 43.728 45.100 -1.165 0.000 0.859 117 G HN 0.779 nan 8.290 nan 0.000 0.481 118 E N 0.783 120.742 120.200 -0.402 0.000 2.438 118 E HA 0.142 4.491 4.350 -0.001 0.000 0.261 118 E C -1.490 175.104 176.600 -0.010 0.000 1.103 118 E CA -1.003 55.407 56.400 0.017 0.000 0.959 118 E CB 1.093 30.811 29.700 0.031 0.000 0.958 118 E HN 0.074 nan 8.360 nan 0.000 0.447 119 P HA -0.271 nan 4.420 nan 0.000 0.216 119 P C 0.978 178.275 177.300 -0.006 0.000 1.154 119 P CA 1.765 64.874 63.100 0.015 0.000 0.865 119 P CB 0.032 31.745 31.700 0.021 0.000 0.789 120 R N -0.984 119.514 120.500 -0.003 0.000 2.152 120 R HA -0.082 4.257 4.340 -0.001 0.000 0.232 120 R C 2.103 178.401 176.300 -0.003 0.000 1.117 120 R CA 1.490 57.589 56.100 -0.002 0.000 0.981 120 R CB -1.386 28.918 30.300 0.007 0.000 0.870 120 R HN 0.171 nan 8.270 nan 0.000 0.451 121 M N 1.893 121.477 119.600 -0.027 0.000 2.213 121 M HA -0.067 4.412 4.480 -0.001 0.000 0.263 121 M C 1.447 177.761 176.300 0.023 0.000 1.062 121 M CA 1.759 57.041 55.300 -0.029 0.000 1.105 121 M CB 0.097 32.633 32.600 -0.107 0.000 1.385 121 M HN 0.013 nan 8.290 nan 0.000 0.417 122 K N -0.132 120.277 120.400 0.015 0.000 2.515 122 K HA -0.101 4.218 4.320 -0.001 0.000 0.196 122 K C 1.138 177.772 176.600 0.057 0.000 1.038 122 K CA 1.006 57.322 56.287 0.048 0.000 0.967 122 K CB -0.121 32.380 32.500 0.002 0.000 0.780 122 K HN 0.568 nan 8.250 nan 0.000 0.483 123 E N 0.396 120.624 120.200 0.047 0.000 2.474 123 E HA 0.020 4.369 4.350 -0.001 0.000 0.194 123 E C -0.110 176.651 176.600 0.269 0.000 1.041 123 E CA 0.019 56.436 56.400 0.027 0.000 0.874 123 E CB 0.443 30.135 29.700 -0.013 0.000 0.914 123 E HN 0.053 nan 8.360 nan 0.000 0.498 124 R N 2.421 123.081 120.500 0.266 0.000 2.254 124 R HA 0.251 4.591 4.340 -0.001 0.000 0.318 124 R C -2.366 174.036 176.300 0.170 0.000 1.031 124 R CA -2.987 53.236 56.100 0.206 0.000 0.905 124 R CB -0.206 30.152 30.300 0.096 0.000 1.050 124 R HN 0.002 nan 8.270 nan 0.000 0.456 125 P HA 0.061 nan 4.420 nan 0.000 0.268 125 P C 0.054 177.260 177.300 -0.158 0.000 1.205 125 P CA 0.073 62.896 63.100 -0.461 0.000 0.771 125 P CB 1.061 32.543 31.700 -0.364 0.000 0.858 126 I N 0.798 121.154 120.570 -0.357 0.000 4.620 126 I HA 0.177 4.346 4.170 -0.001 0.000 0.347 126 I C 1.806 177.652 176.117 -0.452 0.000 1.302 126 I CA 0.089 61.203 61.300 -0.309 0.000 1.277 126 I CB 0.148 38.122 38.000 -0.044 0.000 1.566 126 I HN 0.401 nan 8.210 nan 0.000 0.547 127 G N 0.405 108.941 108.800 -0.439 0.000 2.469 127 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.219 127 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.219 127 G C 1.218 175.995 174.900 -0.206 0.000 1.150 127 G CA 1.554 46.519 45.100 -0.225 0.000 0.763 127 G HN 0.558 nan 8.290 nan 0.000 0.561 128 H N -0.842 117.893 119.070 -0.559 0.000 2.387 128 H HA -0.029 4.526 4.556 -0.001 0.000 0.299 128 H C 2.442 177.506 175.328 -0.440 0.000 1.090 128 H CA 0.781 56.550 56.048 -0.465 0.000 1.332 128 H CB 0.083 29.584 29.762 -0.436 0.000 1.386 128 H HN 0.322 nan 8.280 nan 0.000 0.516 129 L N 0.599 121.463 121.223 -0.598 0.000 2.072 129 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 129 L C 2.190 178.984 176.870 -0.126 0.000 1.079 129 L CA 1.073 55.759 54.840 -0.257 0.000 0.752 129 L CB -0.484 41.466 42.059 -0.183 0.000 0.906 129 L HN 0.017 nan 8.230 nan 0.000 0.436 130 V N 0.230 120.064 119.914 -0.133 0.000 2.332 130 V HA -0.303 3.817 4.120 -0.001 0.000 0.248 130 V C 2.332 178.411 176.094 -0.026 0.000 1.055 130 V CA 1.982 64.234 62.300 -0.080 0.000 1.038 130 V CB -0.843 30.930 31.823 -0.084 0.000 0.651 130 V HN 0.460 nan 8.190 nan 0.000 0.450 131 D N 0.420 120.820 120.400 -0.001 0.000 2.104 131 D HA -0.168 4.471 4.640 -0.001 0.000 0.194 131 D C 2.234 178.555 176.300 0.035 0.000 0.994 131 D CA 1.832 55.847 54.000 0.026 0.000 0.830 131 D CB -0.402 40.416 40.800 0.030 0.000 0.959 131 D HN 0.454 nan 8.370 nan 0.000 0.452 132 A N 0.740 123.580 122.820 0.034 0.000 1.877 132 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 132 A C 2.474 180.146 177.584 0.147 0.000 1.186 132 A CA 0.995 53.080 52.037 0.080 0.000 0.620 132 A CB -0.890 18.154 19.000 0.073 0.000 0.822 132 A HN 0.206 nan 8.150 nan 0.000 0.443 133 L N -1.046 120.242 121.223 0.107 0.000 2.013 133 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 133 L C 2.900 179.923 176.870 0.255 0.000 1.073 133 L CA 1.828 56.784 54.840 0.193 0.000 0.753 133 L CB -0.519 41.556 42.059 0.026 0.000 0.890 133 L HN 0.368 nan 8.230 nan 0.000 0.432 134 R N -0.114 120.453 120.500 0.112 0.000 2.081 134 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 134 R C 2.287 178.624 176.300 0.062 0.000 1.131 134 R CA 1.187 57.329 56.100 0.070 0.000 0.960 134 R CB -0.406 29.911 30.300 0.028 0.000 0.856 134 R HN 0.322 nan 8.270 nan 0.000 0.436 135 L N -0.490 120.776 121.223 0.071 0.000 2.191 135 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 135 L C 2.169 179.042 176.870 0.005 0.000 1.103 135 L CA 1.131 55.996 54.840 0.041 0.000 0.769 135 L CB -0.382 41.709 42.059 0.054 0.000 0.908 135 L HN 0.366 nan 8.230 nan 0.000 0.438 136 G N -1.654 107.172 108.800 0.043 0.000 2.985 136 G HA2 0.279 4.239 3.960 -0.001 0.000 0.209 136 G HA3 0.279 4.239 3.960 -0.001 0.000 0.209 136 G C 1.190 175.867 174.900 -0.371 0.000 1.165 136 G CA 0.537 45.471 45.100 -0.277 0.000 0.776 136 G HN 0.499 nan 8.290 nan 0.000 0.541 137 G N -1.278 107.464 108.800 -0.098 0.000 2.218 137 G HA2 0.130 4.090 3.960 -0.001 0.000 0.216 137 G HA3 0.130 4.090 3.960 -0.001 0.000 0.216 137 G C 0.609 175.522 174.900 0.022 0.000 0.994 137 G CA 0.108 45.167 45.100 -0.069 0.000 0.637 137 G HN 1.276 nan 8.290 nan 0.000 0.505 138 A N 0.087 122.979 122.820 0.121 0.000 2.498 138 A HA 0.599 4.919 4.320 -0.001 0.000 0.239 138 A C 0.450 178.060 177.584 0.044 0.000 1.068 138 A CA 1.086 53.197 52.037 0.123 0.000 0.766 138 A CB 0.557 19.663 19.000 0.175 0.000 1.003 138 A HN 0.836 nan 8.150 nan 0.000 0.497 139 K N 2.349 122.762 120.400 0.022 0.000 2.263 139 K HA 0.631 4.951 4.320 -0.001 0.000 0.272 139 K C -1.286 175.292 176.600 -0.037 0.000 1.033 139 K CA 0.067 56.350 56.287 -0.008 0.000 0.884 139 K CB -0.025 32.473 32.500 -0.003 0.000 1.107 139 K HN 0.521 nan 8.250 nan 0.000 0.460 140 I N 3.157 123.679 120.570 -0.080 0.000 2.619 140 I HA 0.339 4.508 4.170 -0.001 0.000 0.292 140 I C -0.713 175.276 176.117 -0.214 0.000 1.100 140 I CA -0.778 60.429 61.300 -0.154 0.000 1.043 140 I CB 2.757 40.629 38.000 -0.214 0.000 1.239 140 I HN 0.498 nan 8.210 nan 0.000 0.420 141 T N 4.024 118.453 114.554 -0.208 0.000 2.848 141 T HA 0.460 4.810 4.350 -0.001 0.000 0.285 141 T C -0.931 173.664 174.700 -0.176 0.000 0.995 141 T CA -0.519 61.482 62.100 -0.166 0.000 0.970 141 T CB 0.812 69.650 68.868 -0.050 0.000 0.976 141 T HN 0.122 nan 8.240 nan 0.000 0.441 142 Y N 2.671 122.979 120.300 0.015 0.000 2.393 142 Y HA 0.261 4.811 4.550 -0.001 0.000 0.338 142 Y C 1.335 177.249 175.900 0.023 0.000 1.029 142 Y CA -0.856 57.257 58.100 0.022 0.000 1.239 142 Y CB 0.376 38.854 38.460 0.030 0.000 1.170 142 Y HN 0.569 nan 8.280 nan 0.000 0.515 143 L N 1.649 122.972 121.223 0.167 0.000 2.418 143 L HA 0.054 4.393 4.340 -0.001 0.000 0.218 143 L C 0.970 177.897 176.870 0.095 0.000 1.125 143 L CA 0.927 55.828 54.840 0.103 0.000 0.835 143 L CB 0.133 42.234 42.059 0.070 0.000 0.953 143 L HN 0.720 nan 8.230 nan 0.000 0.454 144 E N -1.542 118.727 120.200 0.115 0.000 4.156 144 E HA 0.182 4.532 4.350 -0.001 0.000 0.223 144 E C -0.272 176.357 176.600 0.048 0.000 1.107 144 E CA -0.750 55.688 56.400 0.065 0.000 0.903 144 E CB 0.488 30.213 29.700 0.042 0.000 2.687 144 E HN -0.025 nan 8.360 nan 0.000 0.517 145 Q N 2.070 121.877 119.800 0.012 0.000 2.313 145 Q HA 0.131 4.471 4.340 -0.001 0.000 0.266 145 Q C -0.625 175.333 176.000 -0.070 0.000 0.989 145 Q CA 0.177 55.962 55.803 -0.031 0.000 0.890 145 Q CB 0.949 29.615 28.738 -0.119 0.000 1.200 145 Q HN 0.259 nan 8.270 nan 0.000 0.396 146 E N 2.694 122.785 120.200 -0.183 0.000 2.481 146 E HA -0.119 4.231 4.350 -0.001 0.000 0.263 146 E C -0.079 176.135 176.600 -0.644 0.000 0.992 146 E CA 0.481 56.530 56.400 -0.584 0.000 0.938 146 E CB 0.211 29.739 29.700 -0.287 0.000 0.933 146 E HN 0.536 nan 8.360 nan 0.000 0.453 147 N N 1.146 118.955 118.700 -1.484 0.000 2.909 147 N HA -0.239 4.501 4.740 -0.001 0.000 0.242 147 N C -1.269 173.880 175.510 -0.603 0.000 0.975 147 N CA 1.260 53.847 53.050 -0.771 0.000 0.921 147 N CB -1.573 36.617 38.487 -0.495 0.000 1.112 147 N HN 0.407 nan 8.380 nan 0.000 0.581 148 Y N -0.847 119.314 120.300 -0.233 0.000 2.609 148 Y HA 0.567 5.117 4.550 -0.001 0.000 0.342 148 Y C -2.228 173.741 175.900 0.116 0.000 1.058 148 Y CA -1.950 56.141 58.100 -0.016 0.000 1.055 148 Y CB 1.398 39.826 38.460 -0.053 0.000 1.292 148 Y HN -0.264 nan 8.280 nan 0.000 0.476 149 P HA 0.160 nan 4.420 nan 0.000 0.274 149 P C -2.636 174.753 177.300 0.147 0.000 1.246 149 P CA -1.233 61.965 63.100 0.162 0.000 0.795 149 P CB 0.164 31.913 31.700 0.082 0.000 1.006 150 P HA 0.205 nan 4.420 nan 0.000 0.277 150 P C -1.021 176.336 177.300 0.095 0.000 1.240 150 P CA 0.293 63.439 63.100 0.076 0.000 0.798 150 P CB 0.755 32.488 31.700 0.055 0.000 0.979 151 L N 1.703 122.951 121.223 0.041 0.000 2.354 151 L HA 0.584 4.923 4.340 -0.001 0.000 0.269 151 L C 0.685 177.542 176.870 -0.023 0.000 1.005 151 L CA -0.947 53.886 54.840 -0.012 0.000 0.819 151 L CB 2.460 44.484 42.059 -0.059 0.000 1.311 151 L HN 0.338 nan 8.230 nan 0.000 0.423 152 R N 2.847 123.321 120.500 -0.044 0.000 2.310 152 R HA 0.602 4.941 4.340 -0.001 0.000 0.324 152 R C -1.481 174.791 176.300 -0.047 0.000 0.955 152 R CA -0.513 55.570 56.100 -0.028 0.000 0.830 152 R CB 0.787 31.078 30.300 -0.015 0.000 1.154 152 R HN 0.586 nan 8.270 nan 0.000 0.458 153 L N 4.778 125.983 121.223 -0.031 0.000 2.275 153 L HA 0.353 4.693 4.340 -0.001 0.000 0.288 153 L C 0.384 177.250 176.870 -0.008 0.000 1.046 153 L CA -0.312 54.512 54.840 -0.028 0.000 0.805 153 L CB 1.812 43.858 42.059 -0.021 0.000 1.193 153 L HN 0.661 nan 8.230 nan 0.000 0.426 154 Q N 2.513 122.310 119.800 -0.005 0.000 2.155 154 Q HA 0.307 4.647 4.340 -0.001 0.000 0.273 154 Q C 0.668 176.680 176.000 0.020 0.000 0.857 154 Q CA -0.086 55.721 55.803 0.007 0.000 1.116 154 Q CB 1.442 30.180 28.738 0.000 0.000 1.209 154 Q HN 0.960 nan 8.270 nan 0.000 0.460 155 G N 0.132 108.952 108.800 0.033 0.000 2.692 155 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.248 155 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.248 155 G C 0.606 175.546 174.900 0.067 0.000 1.340 155 G CA -0.113 45.022 45.100 0.058 0.000 0.896 155 G HN 0.880 nan 8.290 nan 0.000 0.570 156 G N -2.378 106.469 108.800 0.078 0.000 2.179 156 G HA2 0.058 4.018 3.960 -0.001 0.000 0.220 156 G HA3 0.058 4.018 3.960 -0.001 0.000 0.220 156 G C 0.514 175.459 174.900 0.074 0.000 0.990 156 G CA 0.562 45.697 45.100 0.058 0.000 0.646 156 G HN 1.995 nan 8.290 nan 0.000 0.517 157 F N 3.486 123.439 119.950 0.005 0.000 2.494 157 F HA 0.466 4.993 4.527 -0.001 0.000 0.369 157 F C 1.689 177.496 175.800 0.012 0.000 1.098 157 F CA 1.209 59.213 58.000 0.006 0.000 1.154 157 F CB 1.024 40.029 39.000 0.007 0.000 1.103 157 F HN 0.133 nan 8.300 nan 0.000 0.549 158 T N 1.739 116.015 114.554 -0.464 0.000 2.990 158 T HA 0.595 4.944 4.350 -0.001 0.000 0.250 158 T C 0.918 175.373 174.700 -0.409 0.000 1.041 158 T CA 0.227 62.154 62.100 -0.289 0.000 1.010 158 T CB -0.071 68.692 68.868 -0.174 0.000 1.003 158 T HN 1.108 nan 8.240 nan 0.000 0.499 159 G N 0.099 108.369 108.800 -0.883 0.000 2.341 159 G HA2 0.422 4.382 3.960 -0.001 0.000 0.196 159 G HA3 0.422 4.382 3.960 -0.001 0.000 0.196 159 G C 0.206 174.894 174.900 -0.353 0.000 1.231 159 G CA -0.111 44.660 45.100 -0.549 0.000 1.155 159 G HN 1.788 nan 8.290 nan 0.000 0.529 160 G N -0.791 107.920 108.800 -0.148 0.000 2.512 160 G HA2 0.076 4.036 3.960 -0.001 0.000 0.210 160 G HA3 0.076 4.036 3.960 -0.001 0.000 0.210 160 G C -0.270 174.612 174.900 -0.030 0.000 1.295 160 G CA 0.330 45.377 45.100 -0.088 0.000 0.934 160 G HN 1.627 nan 8.290 nan 0.000 0.554 161 N N -0.177 118.513 118.700 -0.016 0.000 2.401 161 N HA 0.451 5.190 4.740 -0.001 0.000 0.255 161 N C -0.567 174.963 175.510 0.034 0.000 1.110 161 N CA -0.301 52.760 53.050 0.018 0.000 0.949 161 N CB 1.696 40.190 38.487 0.013 0.000 1.110 161 N HN 0.466 nan 8.380 nan 0.000 0.490 162 V N 2.481 122.438 119.914 0.073 0.000 2.487 162 V HA 0.232 4.351 4.120 -0.001 0.000 0.298 162 V C -0.493 175.661 176.094 0.100 0.000 1.028 162 V CA -0.863 61.498 62.300 0.101 0.000 0.860 162 V CB 1.781 33.709 31.823 0.175 0.000 0.991 162 V HN 0.589 nan 8.190 nan 0.000 0.427 163 D N 2.513 122.960 120.400 0.079 0.000 2.193 163 D HA 0.626 5.265 4.640 -0.001 0.000 0.249 163 D C -0.695 175.647 176.300 0.070 0.000 1.034 163 D CA 0.016 54.058 54.000 0.070 0.000 0.902 163 D CB 2.428 43.254 40.800 0.043 0.000 1.182 163 D HN 0.338 nan 8.370 nan 0.000 0.436 164 V N 1.704 121.663 119.914 0.074 0.000 2.777 164 V HA 0.166 4.286 4.120 -0.001 0.000 0.306 164 V C -1.425 174.699 176.094 0.051 0.000 1.112 164 V CA -0.835 61.506 62.300 0.069 0.000 0.917 164 V CB 2.297 34.186 31.823 0.109 0.000 1.018 164 V HN 0.429 nan 8.190 nan 0.000 0.426 165 D N 4.109 124.490 120.400 -0.031 0.000 2.343 165 D HA 0.382 5.021 4.640 -0.001 0.000 0.255 165 D C 0.721 177.080 176.300 0.098 0.000 1.187 165 D CA 0.714 54.645 54.000 -0.114 0.000 0.875 165 D CB 1.833 42.254 40.800 -0.632 0.000 1.136 165 D HN 0.795 nan 8.370 nan 0.000 0.469 166 G N 1.693 110.570 108.800 0.128 0.000 3.575 166 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.273 166 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.273 166 G C 1.179 176.184 174.900 0.174 0.000 1.053 166 G CA 0.196 45.408 45.100 0.186 0.000 0.803 166 G HN 0.459 nan 8.290 nan 0.000 0.528 167 S N -0.752 115.051 115.700 0.173 0.000 2.496 167 S HA 0.052 4.521 4.470 -0.001 0.000 0.224 167 S C 1.804 176.540 174.600 0.227 0.000 0.996 167 S CA 0.892 59.193 58.200 0.167 0.000 0.927 167 S CB 0.285 63.557 63.200 0.121 0.000 0.774 167 S HN 0.021 nan 8.310 nan 0.000 0.524 168 V N -0.080 120.028 119.914 0.324 0.000 3.048 168 V HA 0.390 4.509 4.120 -0.001 0.000 0.241 168 V C 0.803 176.978 176.094 0.134 0.000 1.129 168 V CA 0.772 63.253 62.300 0.302 0.000 1.128 168 V CB 0.705 32.752 31.823 0.374 0.000 0.849 168 V HN 0.521 nan 8.190 nan 0.000 0.475 169 S N -0.865 114.854 115.700 0.031 0.000 2.546 169 S HA 0.307 4.777 4.470 -0.001 0.000 0.272 169 S C 0.836 175.255 174.600 -0.301 0.000 1.140 169 S CA 0.151 58.156 58.200 -0.324 0.000 0.920 169 S CB 1.996 64.646 63.200 -0.916 0.000 1.083 169 S HN 0.384 nan 8.310 nan 0.000 0.476 170 S N 3.582 119.164 115.700 -0.196 0.000 2.489 170 S HA -0.057 4.412 4.470 -0.001 0.000 0.228 170 S C 1.339 175.836 174.600 -0.171 0.000 0.995 170 S CA 0.527 58.676 58.200 -0.085 0.000 0.934 170 S CB -0.383 62.833 63.200 0.027 0.000 0.771 170 S HN 0.788 nan 8.310 nan 0.000 0.522 171 Q N -0.042 119.537 119.800 -0.368 0.000 2.226 171 Q HA -0.039 4.301 4.340 -0.001 0.000 0.204 171 Q C 1.387 177.276 176.000 -0.185 0.000 0.975 171 Q CA 1.380 56.992 55.803 -0.320 0.000 0.866 171 Q CB -0.389 28.111 28.738 -0.397 0.000 0.915 171 Q HN 0.653 nan 8.270 nan 0.000 0.440 172 F N 0.268 120.211 119.950 -0.011 0.000 2.113 172 F HA -0.166 4.360 4.527 -0.001 0.000 0.297 172 F C 2.063 177.843 175.800 -0.033 0.000 1.103 172 F CA 0.485 58.479 58.000 -0.009 0.000 1.248 172 F CB -1.043 37.984 39.000 0.044 0.000 0.999 172 F HN 0.083 nan 8.300 nan 0.000 0.475 173 L N 0.025 121.321 121.223 0.122 0.000 2.042 173 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 173 L C 2.270 179.094 176.870 -0.077 0.000 1.076 173 L CA 2.095 56.932 54.840 -0.005 0.000 0.749 173 L CB -1.453 40.576 42.059 -0.049 0.000 0.893 173 L HN 0.144 nan 8.230 nan 0.000 0.432 174 T N -0.131 114.386 114.554 -0.061 0.000 2.665 174 T HA -0.224 4.125 4.350 -0.001 0.000 0.268 174 T C 1.882 176.544 174.700 -0.064 0.000 1.035 174 T CA 1.623 63.683 62.100 -0.067 0.000 1.151 174 T CB -0.513 68.326 68.868 -0.048 0.000 0.862 174 T HN 0.578 nan 8.240 nan 0.000 0.438 175 A N 0.901 123.696 122.820 -0.042 0.000 1.902 175 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 175 A C 2.313 179.843 177.584 -0.090 0.000 1.181 175 A CA 1.294 53.299 52.037 -0.054 0.000 0.623 175 A CB -0.830 18.163 19.000 -0.012 0.000 0.818 175 A HN 0.495 nan 8.150 nan 0.000 0.443 176 L N -0.708 120.465 121.223 -0.082 0.000 2.017 176 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 176 L C 2.596 179.411 176.870 -0.092 0.000 1.073 176 L CA 1.095 55.861 54.840 -0.124 0.000 0.745 176 L CB -0.558 41.466 42.059 -0.058 0.000 0.894 176 L HN 0.376 nan 8.230 nan 0.000 0.432 177 L N -0.950 120.219 121.223 -0.090 0.000 2.042 177 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 177 L C 2.641 179.516 176.870 0.007 0.000 1.076 177 L CA 1.468 56.267 54.840 -0.068 0.000 0.749 177 L CB -0.362 41.615 42.059 -0.137 0.000 0.893 177 L HN 0.339 nan 8.230 nan 0.000 0.432 178 M N -1.554 118.042 119.600 -0.007 0.000 2.254 178 M HA -0.122 4.357 4.480 -0.001 0.000 0.265 178 M C 2.130 178.499 176.300 0.116 0.000 1.066 178 M CA 1.469 56.802 55.300 0.055 0.000 1.123 178 M CB -0.418 32.140 32.600 -0.070 0.000 1.388 178 M HN 0.192 nan 8.290 nan 0.000 0.425 179 T N 0.681 115.234 114.554 -0.002 0.000 2.894 179 T HA 0.077 4.427 4.350 -0.001 0.000 0.258 179 T C 1.980 176.692 174.700 0.020 0.000 1.043 179 T CA 1.173 63.255 62.100 -0.030 0.000 1.141 179 T CB -0.186 68.554 68.868 -0.213 0.000 0.873 179 T HN 0.437 nan 8.240 nan 0.000 0.449 180 A N 2.344 125.180 122.820 0.027 0.000 1.927 180 A HA -0.089 4.230 4.320 -0.001 0.000 0.220 180 A C 0.062 177.721 177.584 0.125 0.000 1.185 180 A CA 1.585 53.722 52.037 0.167 0.000 0.639 180 A CB -1.687 17.416 19.000 0.172 0.000 0.820 180 A HN 0.369 nan 8.150 nan 0.000 0.451 181 P HA -0.113 nan 4.420 nan 0.000 0.219 181 P C 0.953 178.221 177.300 -0.054 0.000 1.146 181 P CA 0.775 63.850 63.100 -0.042 0.000 0.808 181 P CB 0.000 31.595 31.700 -0.176 0.000 0.779 182 L N -1.986 119.231 121.223 -0.010 0.000 2.509 182 L HA 0.179 4.518 4.340 -0.001 0.000 0.222 182 L C 1.219 178.138 176.870 0.082 0.000 1.123 182 L CA -0.239 54.613 54.840 0.020 0.000 0.856 182 L CB -1.604 40.487 42.059 0.053 0.000 0.985 182 L HN -0.189 nan 8.230 nan 0.000 0.456 183 A N 0.866 123.768 122.820 0.138 0.000 2.445 183 A HA 0.317 4.636 4.320 -0.001 0.000 0.242 183 A C -1.127 176.502 177.584 0.075 0.000 1.075 183 A CA -0.680 51.457 52.037 0.168 0.000 0.777 183 A CB -0.232 18.936 19.000 0.279 0.000 1.013 183 A HN 0.118 nan 8.150 nan 0.000 0.493 184 P HA -0.097 nan 4.420 nan 0.000 0.218 184 P C 0.168 177.468 177.300 0.001 0.000 1.149 184 P CA 1.177 64.288 63.100 0.019 0.000 0.817 184 P CB 0.216 31.923 31.700 0.012 0.000 0.785 185 E N 0.110 120.299 120.200 -0.018 0.000 2.232 185 E HA 0.241 4.590 4.350 -0.001 0.000 0.264 185 E C -0.446 176.148 176.600 -0.011 0.000 0.973 185 E CA -1.018 55.366 56.400 -0.028 0.000 0.849 185 E CB 0.671 30.334 29.700 -0.061 0.000 1.198 185 E HN -0.027 nan 8.360 nan 0.000 0.407 186 D N 1.099 121.496 120.400 -0.005 0.000 2.382 186 D HA 0.152 4.792 4.640 -0.001 0.000 0.240 186 D C -0.590 175.720 176.300 0.018 0.000 1.146 186 D CA 0.468 54.477 54.000 0.014 0.000 0.897 186 D CB 0.915 41.723 40.800 0.012 0.000 1.197 186 D HN 0.153 nan 8.370 nan 0.000 0.432 187 T N 0.431 115.018 114.554 0.055 0.000 2.841 187 T HA 0.444 4.794 4.350 -0.001 0.000 0.283 187 T C -0.407 174.349 174.700 0.093 0.000 1.000 187 T CA -0.679 61.468 62.100 0.078 0.000 0.977 187 T CB 1.577 70.543 68.868 0.163 0.000 0.979 187 T HN -0.028 nan 8.240 nan 0.000 0.446 188 V N 4.435 124.401 119.914 0.087 0.000 2.326 188 V HA 0.413 4.532 4.120 -0.001 0.000 0.281 188 V C -0.188 175.982 176.094 0.128 0.000 1.015 188 V CA -0.717 61.641 62.300 0.097 0.000 0.823 188 V CB 0.706 32.567 31.823 0.063 0.000 1.009 188 V HN 0.793 nan 8.190 nan 0.000 0.436 189 I N 5.631 126.311 120.570 0.182 0.000 2.312 189 I HA 0.440 4.609 4.170 -0.001 0.000 0.291 189 I C 0.426 176.685 176.117 0.237 0.000 1.031 189 I CA -0.165 61.259 61.300 0.207 0.000 1.293 189 I CB 0.652 38.782 38.000 0.216 0.000 1.403 189 I HN 0.384 nan 8.210 nan 0.000 0.484 190 R N 7.391 127.993 120.500 0.170 0.000 2.338 190 R HA 0.425 4.765 4.340 -0.001 0.000 0.317 190 R C -0.843 175.550 176.300 0.154 0.000 0.968 190 R CA -0.893 55.294 56.100 0.146 0.000 0.849 190 R CB 1.094 31.448 30.300 0.091 0.000 1.128 190 R HN 0.448 nan 8.270 nan 0.000 0.448 191 I N 5.924 126.603 120.570 0.182 0.000 2.396 191 I HA 0.065 4.234 4.170 -0.001 0.000 0.289 191 I C 1.614 177.793 176.117 0.104 0.000 1.056 191 I CA -0.001 61.401 61.300 0.170 0.000 1.365 191 I CB 0.995 39.132 38.000 0.229 0.000 1.407 191 I HN 0.511 nan 8.210 nan 0.000 0.509 192 K N 4.008 124.451 120.400 0.071 0.000 2.044 192 K HA -0.120 4.200 4.320 -0.001 0.000 0.210 192 K C 1.297 177.921 176.600 0.040 0.000 1.049 192 K CA 1.617 57.927 56.287 0.038 0.000 0.927 192 K CB 0.151 32.651 32.500 -0.001 0.000 0.713 192 K HN 0.900 nan 8.250 nan 0.000 0.443 193 G N 0.000 108.831 108.800 0.051 0.000 3.551 193 G HA2 0.044 4.004 3.960 -0.001 0.000 0.174 193 G HA3 0.044 4.004 3.960 -0.001 0.000 0.174 193 G C -1.157 173.785 174.900 0.071 0.000 1.280 193 G CA -0.495 44.636 45.100 0.050 0.000 1.236 193 G HN -0.001 nan 8.290 nan 0.000 0.731 194 D N 0.602 121.042 120.400 0.067 0.000 2.362 194 D HA 0.452 5.092 4.640 -0.001 0.000 0.242 194 D C -0.654 175.708 176.300 0.105 0.000 1.132 194 D CA 0.152 54.200 54.000 0.079 0.000 0.907 194 D CB 2.248 43.090 40.800 0.070 0.000 1.195 194 D HN 0.177 nan 8.370 nan 0.000 0.429 195 L N 2.488 123.778 121.223 0.112 0.000 2.372 195 L HA 0.291 4.630 4.340 -0.001 0.000 0.273 195 L C -0.589 176.347 176.870 0.110 0.000 0.989 195 L CA -0.817 54.103 54.840 0.133 0.000 0.841 195 L CB 1.317 43.482 42.059 0.177 0.000 1.225 195 L HN 0.198 nan 8.230 nan 0.000 0.414 196 V N 1.768 121.751 119.914 0.114 0.000 2.997 196 V HA 0.645 4.764 4.120 -0.001 0.000 0.311 196 V C 0.792 176.959 176.094 0.122 0.000 1.066 196 V CA -0.101 62.266 62.300 0.113 0.000 1.039 196 V CB 1.186 33.080 31.823 0.118 0.000 1.081 196 V HN 0.909 nan 8.190 nan 0.000 0.467 197 S N -0.058 115.734 115.700 0.154 0.000 3.614 197 S HA -0.232 4.238 4.470 -0.001 0.000 0.360 197 S C 1.246 175.994 174.600 0.247 0.000 1.023 197 S CA 1.338 59.688 58.200 0.249 0.000 1.114 197 S CB -1.548 61.789 63.200 0.229 0.000 0.907 197 S HN 1.125 nan 8.310 nan 0.000 0.470 198 K N 1.595 122.074 120.400 0.133 0.000 2.074 198 K HA -0.151 4.169 4.320 -0.001 0.000 0.209 198 K C -1.007 175.635 176.600 0.069 0.000 1.048 198 K CA 1.910 58.235 56.287 0.064 0.000 0.926 198 K CB -0.563 31.871 32.500 -0.110 0.000 0.713 198 K HN 0.371 nan 8.250 nan 0.000 0.444 199 P HA -0.163 nan 4.420 nan 0.000 0.218 199 P C 0.342 177.584 177.300 -0.098 0.000 1.146 199 P CA 1.241 64.301 63.100 -0.066 0.000 0.813 199 P CB -0.053 31.552 31.700 -0.159 0.000 0.778 200 Y N -1.374 118.959 120.300 0.054 0.000 2.352 200 Y HA -0.112 4.437 4.550 -0.001 0.000 0.292 200 Y C 2.198 178.128 175.900 0.049 0.000 1.136 200 Y CA 0.426 58.549 58.100 0.038 0.000 1.227 200 Y CB -0.693 37.772 38.460 0.007 0.000 0.991 200 Y HN -0.076 nan 8.280 nan 0.000 0.545 201 I N -0.032 120.664 120.570 0.211 0.000 2.315 201 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 201 I C 1.575 177.802 176.117 0.183 0.000 1.117 201 I CA 1.284 62.691 61.300 0.180 0.000 1.404 201 I CB -1.027 37.135 38.000 0.269 0.000 1.071 201 I HN 0.258 nan 8.210 nan 0.000 0.419 202 D N 0.946 121.466 120.400 0.199 0.000 2.144 202 D HA -0.104 4.536 4.640 -0.001 0.000 0.200 202 D C 2.380 178.744 176.300 0.107 0.000 0.978 202 D CA 1.011 55.112 54.000 0.169 0.000 0.833 202 D CB -0.028 40.861 40.800 0.149 0.000 0.961 202 D HN 0.319 nan 8.370 nan 0.000 0.470 203 I N 0.994 121.613 120.570 0.081 0.000 2.179 203 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 203 I C 2.347 178.513 176.117 0.083 0.000 1.088 203 I CA 1.122 62.468 61.300 0.077 0.000 1.357 203 I CB -0.539 37.506 38.000 0.075 0.000 1.051 203 I HN -0.023 nan 8.210 nan 0.000 0.409 204 T N 1.572 116.173 114.554 0.078 0.000 2.635 204 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 204 T C 1.969 176.701 174.700 0.053 0.000 1.040 204 T CA 1.450 63.577 62.100 0.044 0.000 1.156 204 T CB -0.426 68.455 68.868 0.022 0.000 0.863 204 T HN 0.241 nan 8.240 nan 0.000 0.430 205 L N 1.319 122.587 121.223 0.074 0.000 2.083 205 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 205 L C 2.790 179.718 176.870 0.097 0.000 1.083 205 L CA 1.051 55.944 54.840 0.087 0.000 0.752 205 L CB -0.640 41.479 42.059 0.100 0.000 0.899 205 L HN 0.317 nan 8.230 nan 0.000 0.433 206 N N 0.621 119.379 118.700 0.097 0.000 2.084 206 N HA -0.191 4.548 4.740 -0.001 0.000 0.190 206 N C 1.885 177.468 175.510 0.122 0.000 1.030 206 N CA 1.408 54.522 53.050 0.106 0.000 0.849 206 N CB -0.010 38.541 38.487 0.107 0.000 1.012 206 N HN 0.180 nan 8.380 nan 0.000 0.423 207 L N 0.932 122.221 121.223 0.109 0.000 2.046 207 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 207 L C 2.533 179.504 176.870 0.169 0.000 1.077 207 L CA 1.160 56.062 54.840 0.104 0.000 0.747 207 L CB -0.973 41.094 42.059 0.013 0.000 0.896 207 L HN 0.302 nan 8.230 nan 0.000 0.432 208 M N -0.541 119.136 119.600 0.128 0.000 2.108 208 M HA -0.274 4.205 4.480 -0.001 0.000 0.261 208 M C 2.271 178.732 176.300 0.268 0.000 1.066 208 M CA 1.772 57.205 55.300 0.222 0.000 1.107 208 M CB -0.352 32.374 32.600 0.210 0.000 1.356 208 M HN 0.123 nan 8.290 nan 0.000 0.406 209 K N -0.348 120.157 120.400 0.175 0.000 2.097 209 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 209 K C 1.706 178.377 176.600 0.118 0.000 1.049 209 K CA 1.655 58.023 56.287 0.135 0.000 0.933 209 K CB -0.046 32.511 32.500 0.095 0.000 0.717 209 K HN 0.218 nan 8.250 nan 0.000 0.442 210 T N 0.384 115.004 114.554 0.109 0.000 2.759 210 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 210 T C 0.921 175.539 174.700 -0.136 0.000 1.042 210 T CA 1.243 63.340 62.100 -0.005 0.000 1.140 210 T CB -0.198 68.644 68.868 -0.044 0.000 0.864 210 T HN 0.187 nan 8.240 nan 0.000 0.455 211 F N 0.684 120.647 119.950 0.022 0.000 2.693 211 F HA 0.375 4.902 4.527 -0.001 0.000 0.303 211 F C 1.724 177.643 175.800 0.198 0.000 1.143 211 F CA -0.064 57.986 58.000 0.083 0.000 1.389 211 F CB -0.126 38.877 39.000 0.006 0.000 1.060 211 F HN 0.275 nan 8.300 nan 0.000 0.535 212 G N 0.167 109.096 108.800 0.216 0.000 2.141 212 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.231 212 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.231 212 G C -0.340 174.627 174.900 0.113 0.000 0.984 212 G CA -0.001 45.184 45.100 0.142 0.000 0.660 212 G HN 0.161 nan 8.290 nan 0.000 0.525 213 V N 0.273 120.284 119.914 0.163 0.000 2.588 213 V HA 0.693 4.812 4.120 -0.001 0.000 0.304 213 V C -0.108 176.046 176.094 0.100 0.000 1.042 213 V CA -0.791 61.558 62.300 0.082 0.000 0.877 213 V CB 1.931 33.760 31.823 0.009 0.000 0.996 213 V HN 0.358 nan 8.190 nan 0.000 0.425 214 E N 3.346 123.581 120.200 0.058 0.000 2.312 214 E HA 0.766 5.115 4.350 -0.001 0.000 0.267 214 E C -1.307 175.325 176.600 0.052 0.000 0.894 214 E CA -0.747 55.689 56.400 0.060 0.000 0.773 214 E CB 2.992 32.718 29.700 0.043 0.000 1.241 214 E HN 0.647 nan 8.360 nan 0.000 0.432 215 I N -2.521 118.089 120.570 0.066 0.000 3.264 215 I HA 0.455 4.624 4.170 -0.001 0.000 0.315 215 I C -0.604 175.550 176.117 0.061 0.000 1.154 215 I CA -0.911 60.434 61.300 0.075 0.000 0.962 215 I CB 1.614 39.686 38.000 0.120 0.000 1.265 215 I HN 0.345 nan 8.210 nan 0.000 0.463 216 E N 2.161 122.392 120.200 0.053 0.000 2.081 216 E HA 0.228 4.577 4.350 -0.001 0.000 0.281 216 E C -1.128 175.440 176.600 -0.053 0.000 0.986 216 E CA -0.473 55.925 56.400 -0.004 0.000 0.796 216 E CB 0.573 30.267 29.700 -0.011 0.000 1.085 216 E HN 0.606 nan 8.360 nan 0.000 0.398 217 N N 4.246 122.858 118.700 -0.146 0.000 2.426 217 N HA 0.038 4.778 4.740 -0.001 0.000 0.257 217 N C -1.221 174.014 175.510 -0.457 0.000 1.002 217 N CA -0.116 52.680 53.050 -0.424 0.000 0.942 217 N CB 0.917 39.155 38.487 -0.415 0.000 1.112 217 N HN 0.448 nan 8.380 nan 0.000 0.499 218 Q N 2.977 122.479 119.800 -0.498 0.000 2.569 218 Q HA 0.177 4.516 4.340 -0.001 0.000 0.226 218 Q C -0.701 175.226 176.000 -0.122 0.000 1.136 218 Q CA -0.554 55.122 55.803 -0.211 0.000 0.947 218 Q CB 0.044 28.717 28.738 -0.108 0.000 1.218 218 Q HN 0.664 nan 8.270 nan 0.000 0.547 219 H N -0.035 118.900 119.070 -0.226 0.000 2.731 219 H HA -0.262 4.293 4.556 -0.001 0.000 0.305 219 H C -0.830 174.557 175.328 0.098 0.000 1.132 219 H CA 1.137 57.169 56.048 -0.027 0.000 1.148 219 H CB -2.267 27.502 29.762 0.010 0.000 1.379 219 H HN 0.793 nan 8.280 nan 0.000 0.398 220 Y N -3.134 117.032 120.300 -0.224 0.000 4.604 220 Y HA -0.372 4.178 4.550 -0.001 0.000 0.230 220 Y C 1.603 177.475 175.900 -0.047 0.000 1.066 220 Y CA 1.239 59.248 58.100 -0.152 0.000 1.990 220 Y CB -1.409 37.128 38.460 0.128 0.000 1.619 220 Y HN 0.470 nan 8.280 nan 0.000 0.649 221 Q N -0.179 119.599 119.800 -0.038 0.000 2.396 221 Q HA 0.183 4.522 4.340 -0.001 0.000 0.220 221 Q C 0.603 176.615 176.000 0.020 0.000 0.900 221 Q CA 0.894 56.728 55.803 0.052 0.000 0.925 221 Q CB 0.954 29.717 28.738 0.042 0.000 1.065 221 Q HN 0.720 nan 8.270 nan 0.000 0.535 222 Q N -0.767 118.922 119.800 -0.184 0.000 2.386 222 Q HA 0.428 4.767 4.340 -0.001 0.000 0.274 222 Q C -1.791 174.011 176.000 -0.330 0.000 1.011 222 Q CA -0.327 55.433 55.803 -0.072 0.000 0.867 222 Q CB 1.508 30.234 28.738 -0.021 0.000 1.409 222 Q HN -0.077 nan 8.270 nan 0.000 0.395 223 F N 1.855 121.823 119.950 0.030 0.000 2.507 223 F HA 0.461 4.987 4.527 -0.001 0.000 0.328 223 F C -0.479 175.335 175.800 0.024 0.000 1.136 223 F CA -0.811 57.196 58.000 0.013 0.000 0.930 223 F CB 1.969 40.980 39.000 0.017 0.000 1.166 223 F HN 0.227 nan 8.300 nan 0.000 0.436 224 V N 4.798 124.795 119.914 0.139 0.000 2.364 224 V HA 0.474 4.593 4.120 -0.001 0.000 0.272 224 V C -0.301 175.853 176.094 0.101 0.000 1.036 224 V CA -0.627 61.730 62.300 0.096 0.000 0.880 224 V CB 1.280 33.129 31.823 0.043 0.000 0.991 224 V HN 0.511 nan 8.190 nan 0.000 0.460 225 V N 5.595 125.568 119.914 0.098 0.000 2.448 225 V HA 0.416 4.535 4.120 -0.001 0.000 0.295 225 V C 0.039 176.166 176.094 0.055 0.000 1.025 225 V CA -1.144 61.205 62.300 0.081 0.000 0.859 225 V CB 1.816 33.699 31.823 0.099 0.000 0.988 225 V HN 0.784 nan 8.190 nan 0.000 0.431 226 K N 2.983 123.402 120.400 0.033 0.000 2.234 226 K HA 0.537 4.857 4.320 -0.001 0.000 0.282 226 K C 0.658 177.265 176.600 0.013 0.000 1.039 226 K CA -0.112 56.186 56.287 0.018 0.000 0.928 226 K CB 1.495 33.999 32.500 0.006 0.000 1.039 226 K HN 0.898 nan 8.250 nan 0.000 0.470 227 G N 0.088 108.897 108.800 0.016 0.000 2.563 227 G HA2 0.390 4.350 3.960 -0.001 0.000 0.283 227 G HA3 0.390 4.350 3.960 -0.001 0.000 0.283 227 G C 0.601 175.501 174.900 -0.000 0.000 1.309 227 G CA -0.159 44.951 45.100 0.017 0.000 1.022 227 G HN 0.758 nan 8.290 nan 0.000 0.501 228 G N -1.705 107.097 108.800 0.003 0.000 2.179 228 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.257 228 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.257 228 G C 0.401 175.286 174.900 -0.024 0.000 1.010 228 G CA 0.912 46.010 45.100 -0.003 0.000 0.736 228 G HN 0.756 nan 8.290 nan 0.000 0.513 229 Q N -0.611 119.157 119.800 -0.055 0.000 2.171 229 Q HA 0.736 5.075 4.340 -0.001 0.000 0.217 229 Q C -0.168 175.762 176.000 -0.118 0.000 0.995 229 Q CA -0.291 55.453 55.803 -0.099 0.000 0.979 229 Q CB 1.402 30.049 28.738 -0.152 0.000 1.152 229 Q HN 0.250 nan 8.270 nan 0.000 0.525 230 S N -0.342 115.275 115.700 -0.139 0.000 2.540 230 S HA 0.422 4.891 4.470 -0.001 0.000 0.275 230 S C -1.612 172.947 174.600 -0.069 0.000 1.123 230 S CA -0.681 57.488 58.200 -0.052 0.000 0.907 230 S CB 0.648 63.848 63.200 0.001 0.000 1.081 230 S HN 0.325 nan 8.310 nan 0.000 0.476 231 Y N 1.954 122.355 120.300 0.168 0.000 2.299 231 Y HA 0.436 4.985 4.550 -0.001 0.000 0.326 231 Y C 0.780 176.828 175.900 0.246 0.000 1.164 231 Y CA -0.168 58.041 58.100 0.182 0.000 1.234 231 Y CB 0.722 39.259 38.460 0.128 0.000 1.219 231 Y HN 0.392 nan 8.280 nan 0.000 0.497 232 Q N 1.213 121.249 119.800 0.392 0.000 2.353 232 Q HA 0.249 4.588 4.340 -0.001 0.000 0.268 232 Q C -0.413 175.719 176.000 0.220 0.000 1.045 232 Q CA -0.821 55.139 55.803 0.262 0.000 0.811 232 Q CB 2.250 31.066 28.738 0.130 0.000 1.305 232 Q HN 0.690 nan 8.270 nan 0.000 0.447 233 S N 3.162 118.969 115.700 0.178 0.000 2.546 233 S HA 0.111 4.580 4.470 -0.001 0.000 0.290 233 S C -1.425 173.124 174.600 -0.085 0.000 1.290 233 S CA -0.622 57.622 58.200 0.073 0.000 1.069 233 S CB 0.349 63.606 63.200 0.095 0.000 0.846 233 S HN 0.402 nan 8.310 nan 0.000 0.495 234 P HA 0.260 nan 4.420 nan 0.000 0.257 234 P C 1.057 178.299 177.300 -0.098 0.000 1.281 234 P CA 0.637 63.597 63.100 -0.235 0.000 0.826 234 P CB -0.371 31.070 31.700 -0.430 0.000 1.237 235 G N 0.965 109.732 108.800 -0.055 0.000 2.866 235 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.274 235 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.274 235 G C -0.007 174.903 174.900 0.017 0.000 1.413 235 G CA 0.292 45.390 45.100 -0.004 0.000 0.997 235 G HN 0.548 nan 8.290 nan 0.000 0.559 236 T N -1.646 112.923 114.554 0.024 0.000 2.837 236 T HA 0.607 4.957 4.350 -0.001 0.000 0.285 236 T C -0.812 173.937 174.700 0.082 0.000 0.984 236 T CA 0.032 62.160 62.100 0.047 0.000 1.049 236 T CB 2.242 71.123 68.868 0.022 0.000 0.947 236 T HN 1.395 nan 8.240 nan 0.000 0.472 237 Y N 2.961 123.240 120.300 -0.035 0.000 2.361 237 Y HA 0.587 5.136 4.550 -0.001 0.000 0.337 237 Y C -1.383 174.514 175.900 -0.005 0.000 0.965 237 Y CA -1.850 56.227 58.100 -0.038 0.000 1.091 237 Y CB 1.588 40.023 38.460 -0.042 0.000 1.182 237 Y HN 0.820 nan 8.280 nan 0.000 0.450 238 L N 7.354 128.215 121.223 -0.604 0.000 2.260 238 L HA 0.538 4.878 4.340 -0.001 0.000 0.289 238 L C -1.171 175.355 176.870 -0.573 0.000 1.057 238 L CA -0.418 54.170 54.840 -0.421 0.000 0.811 238 L CB 0.790 42.681 42.059 -0.280 0.000 1.184 238 L HN 0.498 nan 8.230 nan 0.000 0.429 239 V N 5.580 125.361 119.914 -0.221 0.000 2.508 239 V HA 0.159 4.278 4.120 -0.001 0.000 0.281 239 V C 0.614 176.665 176.094 -0.071 0.000 1.041 239 V CA -0.579 61.683 62.300 -0.063 0.000 1.016 239 V CB 0.535 32.396 31.823 0.062 0.000 0.984 239 V HN 0.758 nan 8.190 nan 0.000 0.478 240 E N 2.866 123.040 120.200 -0.043 0.000 2.418 240 E HA 0.258 4.607 4.350 -0.001 0.000 0.261 240 E C 0.772 177.364 176.600 -0.014 0.000 1.070 240 E CA 0.164 56.547 56.400 -0.027 0.000 0.931 240 E CB 0.626 30.328 29.700 0.003 0.000 0.954 240 E HN 0.863 nan 8.360 nan 0.000 0.439 241 G N 1.394 110.185 108.800 -0.015 0.000 2.664 241 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.242 241 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.242 241 G C -0.262 174.628 174.900 -0.017 0.000 1.225 241 G CA -0.439 44.647 45.100 -0.023 0.000 0.849 241 G HN 0.501 nan 8.290 nan 0.000 0.581 242 D N 0.921 121.295 120.400 -0.043 0.000 2.336 242 D HA 0.293 4.932 4.640 -0.001 0.000 0.249 242 D C 1.297 177.588 176.300 -0.014 0.000 1.213 242 D CA 0.120 54.100 54.000 -0.033 0.000 0.870 242 D CB 1.346 42.101 40.800 -0.075 0.000 1.076 242 D HN 0.272 nan 8.370 nan 0.000 0.483 243 A N 3.150 125.966 122.820 -0.005 0.000 2.015 243 A HA -0.106 4.213 4.320 -0.001 0.000 0.219 243 A C 2.204 179.735 177.584 -0.088 0.000 1.163 243 A CA 0.977 53.005 52.037 -0.014 0.000 0.646 243 A CB 0.062 19.068 19.000 0.010 0.000 0.806 243 A HN 0.548 nan 8.150 nan 0.000 0.448 244 S N 0.126 115.774 115.700 -0.086 0.000 2.371 244 S HA -0.090 4.379 4.470 -0.001 0.000 0.224 244 S C 2.226 176.690 174.600 -0.228 0.000 1.029 244 S CA 1.372 59.465 58.200 -0.179 0.000 0.978 244 S CB -0.240 62.920 63.200 -0.066 0.000 0.833 244 S HN 0.627 nan 8.310 nan 0.000 0.466 245 S N 1.920 117.612 115.700 -0.013 0.000 2.399 245 S HA 0.006 4.476 4.470 -0.001 0.000 0.231 245 S C 2.190 176.918 174.600 0.213 0.000 1.022 245 S CA 0.871 59.207 58.200 0.226 0.000 0.983 245 S CB -0.424 62.814 63.200 0.064 0.000 0.803 245 S HN 0.596 nan 8.310 nan 0.000 0.480 246 A N 1.889 124.758 122.820 0.082 0.000 2.019 246 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 246 A C 2.314 179.858 177.584 -0.067 0.000 1.164 246 A CA 1.705 53.836 52.037 0.156 0.000 0.644 246 A CB -0.875 18.181 19.000 0.095 0.000 0.805 246 A HN 0.617 nan 8.150 nan 0.000 0.449 247 S N -0.730 114.672 115.700 -0.496 0.000 2.383 247 S HA -0.252 4.218 4.470 -0.001 0.000 0.229 247 S C 1.822 176.002 174.600 -0.701 0.000 1.030 247 S CA 1.589 59.193 58.200 -0.993 0.000 1.002 247 S CB -0.931 61.115 63.200 -1.924 0.000 0.829 247 S HN 0.576 nan 8.310 nan 0.000 0.467 248 Y N 1.275 121.342 120.300 -0.389 0.000 2.181 248 Y HA 0.028 4.577 4.550 -0.001 0.000 0.288 248 Y C 2.183 177.911 175.900 -0.286 0.000 1.146 248 Y CA 0.936 58.810 58.100 -0.377 0.000 1.164 248 Y CB -1.072 37.089 38.460 -0.498 0.000 0.982 248 Y HN 0.255 nan 8.280 nan 0.000 0.515 249 F N -0.827 119.235 119.950 0.186 0.000 2.206 249 F HA -0.093 4.434 4.527 -0.001 0.000 0.298 249 F C 2.135 177.978 175.800 0.072 0.000 1.090 249 F CA 0.803 58.868 58.000 0.108 0.000 1.323 249 F CB -1.134 37.923 39.000 0.094 0.000 1.028 249 F HN -0.036 nan 8.300 nan 0.000 0.492 250 L N -0.353 121.013 121.223 0.239 0.000 2.056 250 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 250 L C 2.717 179.694 176.870 0.178 0.000 1.078 250 L CA 1.140 56.094 54.840 0.191 0.000 0.749 250 L CB -1.069 41.126 42.059 0.228 0.000 0.901 250 L HN 0.147 nan 8.230 nan 0.000 0.433 251 A N 0.171 123.134 122.820 0.239 0.000 1.933 251 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 251 A C 2.563 180.186 177.584 0.065 0.000 1.175 251 A CA 1.623 53.773 52.037 0.188 0.000 0.628 251 A CB -0.667 18.486 19.000 0.254 0.000 0.814 251 A HN 0.391 nan 8.150 nan 0.000 0.444 252 A N -0.038 122.821 122.820 0.064 0.000 1.908 252 A HA 0.075 4.394 4.320 -0.001 0.000 0.218 252 A C 2.495 180.070 177.584 -0.015 0.000 1.181 252 A CA 2.318 54.362 52.037 0.012 0.000 0.627 252 A CB -0.993 18.052 19.000 0.076 0.000 0.818 252 A HN 1.075 nan 8.150 nan 0.000 0.445 253 A N -0.355 122.480 122.820 0.025 0.000 1.898 253 A HA 0.229 4.548 4.320 -0.001 0.000 0.216 253 A C 2.488 180.057 177.584 -0.026 0.000 1.181 253 A CA 1.870 53.907 52.037 -0.001 0.000 0.620 253 A CB -0.987 18.021 19.000 0.013 0.000 0.819 253 A HN 1.108 nan 8.150 nan 0.000 0.442 254 A N -0.359 122.449 122.820 -0.019 0.000 1.972 254 A HA -0.052 4.267 4.320 -0.001 0.000 0.219 254 A C 2.050 179.601 177.584 -0.055 0.000 1.169 254 A CA 1.616 53.634 52.037 -0.033 0.000 0.635 254 A CB -0.499 18.483 19.000 -0.031 0.000 0.810 254 A HN 0.520 nan 8.150 nan 0.000 0.446 255 I N -2.503 118.005 120.570 -0.104 0.000 2.429 255 I HA 0.039 4.209 4.170 -0.001 0.000 0.247 255 I C 1.745 177.736 176.117 -0.210 0.000 1.099 255 I CA 1.157 62.327 61.300 -0.218 0.000 1.422 255 I CB 0.227 37.939 38.000 -0.480 0.000 1.112 255 I HN 0.054 nan 8.210 nan 0.000 0.430 256 K N 0.751 121.052 120.400 -0.165 0.000 2.619 256 K HA 0.308 4.628 4.320 -0.001 0.000 0.201 256 K C 0.158 176.720 176.600 -0.063 0.000 1.090 256 K CA -0.145 56.071 56.287 -0.119 0.000 1.063 256 K CB 0.673 33.088 32.500 -0.141 0.000 0.810 256 K HN 0.156 nan 8.250 nan 0.000 0.506 257 G N -0.617 108.154 108.800 -0.049 0.000 2.588 257 G HA2 0.514 4.474 3.960 -0.001 0.000 0.281 257 G HA3 0.514 4.474 3.960 -0.001 0.000 0.281 257 G C 0.113 174.997 174.900 -0.027 0.000 1.236 257 G CA 0.004 45.085 45.100 -0.032 0.000 0.969 257 G HN 0.423 nan 8.290 nan 0.000 0.504 258 G N -1.858 106.928 108.800 -0.023 0.000 2.860 258 G HA2 0.184 4.144 3.960 -0.001 0.000 0.553 258 G HA3 0.184 4.144 3.960 -0.001 0.000 0.553 258 G C -0.276 174.609 174.900 -0.026 0.000 1.439 258 G CA 0.006 45.091 45.100 -0.025 0.000 0.879 258 G HN 1.216 nan 8.290 nan 0.000 0.545 259 T N 0.059 114.594 114.554 -0.032 0.000 2.841 259 T HA 0.589 4.938 4.350 -0.001 0.000 0.285 259 T C -0.185 174.491 174.700 -0.040 0.000 0.991 259 T CA -0.367 61.710 62.100 -0.037 0.000 0.966 259 T CB 1.929 70.768 68.868 -0.049 0.000 0.962 259 T HN 1.025 nan 8.240 nan 0.000 0.438 260 V N 3.896 123.794 119.914 -0.028 0.000 2.448 260 V HA 0.525 4.645 4.120 -0.001 0.000 0.295 260 V C -0.019 176.055 176.094 -0.034 0.000 1.025 260 V CA -0.861 61.426 62.300 -0.021 0.000 0.859 260 V CB 1.737 33.583 31.823 0.038 0.000 0.988 260 V HN 0.722 nan 8.190 nan 0.000 0.431 261 K N 4.391 124.748 120.400 -0.072 0.000 2.206 261 K HA 0.746 5.066 4.320 -0.001 0.000 0.264 261 K C -0.893 175.677 176.600 -0.049 0.000 0.967 261 K CA -0.542 55.694 56.287 -0.085 0.000 0.844 261 K CB 1.941 34.319 32.500 -0.203 0.000 1.099 261 K HN 0.601 nan 8.250 nan 0.000 0.441 262 V N 0.669 120.592 119.914 0.016 0.000 2.459 262 V HA 0.598 4.717 4.120 -0.001 0.000 0.295 262 V C -0.269 175.865 176.094 0.067 0.000 1.029 262 V CA -0.598 61.718 62.300 0.028 0.000 0.874 262 V CB 1.075 32.947 31.823 0.082 0.000 0.985 262 V HN 0.888 nan 8.190 nan 0.000 0.438 263 T N 0.563 115.140 114.554 0.039 0.000 2.918 263 T HA 0.830 5.179 4.350 -0.001 0.000 0.286 263 T C 0.887 175.610 174.700 0.039 0.000 1.026 263 T CA 0.057 62.197 62.100 0.067 0.000 1.031 263 T CB 1.396 70.289 68.868 0.042 0.000 1.046 263 T HN 2.342 nan 8.240 nan 0.000 0.479 264 G N 1.236 110.061 108.800 0.042 0.000 2.284 264 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.201 264 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.201 264 G C -0.062 174.849 174.900 0.019 0.000 0.998 264 G CA -0.103 45.006 45.100 0.015 0.000 0.651 264 G HN 1.451 nan 8.290 nan 0.000 0.489 265 I N -2.228 118.367 120.570 0.042 0.000 2.865 265 I HA 0.937 5.106 4.170 -0.001 0.000 0.302 265 I C 0.238 176.395 176.117 0.068 0.000 1.140 265 I CA -0.711 60.620 61.300 0.052 0.000 1.021 265 I CB 2.018 40.055 38.000 0.062 0.000 1.233 265 I HN 0.556 nan 8.210 nan 0.000 0.427 266 G N 3.447 112.301 108.800 0.091 0.000 2.782 266 G HA2 0.342 4.301 3.960 -0.001 0.000 0.304 266 G HA3 0.342 4.301 3.960 -0.001 0.000 0.304 266 G C 0.120 175.159 174.900 0.231 0.000 1.315 266 G CA -0.551 44.617 45.100 0.113 0.000 0.791 266 G HN 0.876 nan 8.290 nan 0.000 0.519 267 R N -0.397 120.231 120.500 0.213 0.000 2.193 267 R HA -0.015 4.325 4.340 -0.001 0.000 0.229 267 R C 0.773 177.045 176.300 -0.047 0.000 1.110 267 R CA 1.516 57.641 56.100 0.041 0.000 0.988 267 R CB -0.178 30.064 30.300 -0.096 0.000 0.871 267 R HN 0.319 nan 8.270 nan 0.000 0.458 268 N N 1.030 119.727 118.700 -0.005 0.000 2.336 268 N HA -0.039 4.700 4.740 -0.001 0.000 0.189 268 N C 0.153 175.666 175.510 0.006 0.000 1.113 268 N CA 0.277 53.317 53.050 -0.017 0.000 0.858 268 N CB 0.490 38.966 38.487 -0.018 0.000 0.970 268 N HN 0.161 nan 8.380 nan 0.000 0.471 269 S N 1.352 117.074 115.700 0.037 0.000 2.558 269 S HA -0.031 4.439 4.470 -0.001 0.000 0.287 269 S C 1.579 176.198 174.600 0.033 0.000 1.321 269 S CA -0.305 57.922 58.200 0.044 0.000 1.048 269 S CB 0.478 63.725 63.200 0.078 0.000 0.844 269 S HN 0.305 nan 8.310 nan 0.000 0.512 270 M N 2.486 122.106 119.600 0.033 0.000 2.514 270 M HA 0.198 4.677 4.480 -0.001 0.000 0.258 270 M C 0.408 176.711 176.300 0.004 0.000 1.119 270 M CA 0.373 55.691 55.300 0.029 0.000 1.111 270 M CB -0.214 32.417 32.600 0.053 0.000 1.390 270 M HN 0.559 nan 8.290 nan 0.000 0.475 271 Q N 1.632 121.432 119.800 -0.000 0.000 2.313 271 Q HA 0.251 4.591 4.340 -0.001 0.000 0.266 271 Q C 1.248 177.208 176.000 -0.067 0.000 0.989 271 Q CA 0.068 55.837 55.803 -0.056 0.000 0.890 271 Q CB 1.342 30.063 28.738 -0.029 0.000 1.200 271 Q HN 0.528 nan 8.270 nan 0.000 0.396 272 G N 2.634 111.329 108.800 -0.175 0.000 2.448 272 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.219 272 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.219 272 G C 0.584 175.465 174.900 -0.032 0.000 1.127 272 G CA 0.377 45.411 45.100 -0.111 0.000 0.766 272 G HN 0.586 nan 8.290 nan 0.000 0.552 273 D N 0.467 120.829 120.400 -0.064 0.000 2.378 273 D HA -0.078 4.561 4.640 -0.001 0.000 0.222 273 D C 2.546 178.912 176.300 0.110 0.000 0.980 273 D CA 0.300 54.305 54.000 0.009 0.000 0.907 273 D CB -0.146 40.626 40.800 -0.046 0.000 0.899 273 D HN 0.634 nan 8.370 nan 0.000 0.527 274 I N -2.184 118.469 120.570 0.138 0.000 2.756 274 I HA -0.065 4.104 4.170 -0.001 0.000 0.262 274 I C 1.579 177.908 176.117 0.353 0.000 1.225 274 I CA 0.614 62.066 61.300 0.252 0.000 1.472 274 I CB -0.064 38.134 38.000 0.331 0.000 1.094 274 I HN -0.211 nan 8.210 nan 0.000 0.454 275 R N 0.780 121.439 120.500 0.266 0.000 2.328 275 R HA -0.070 4.269 4.340 -0.001 0.000 0.207 275 R C 1.894 178.341 176.300 0.245 0.000 1.056 275 R CA 0.841 57.102 56.100 0.269 0.000 1.016 275 R CB -0.894 29.559 30.300 0.254 0.000 0.872 275 R HN 0.512 nan 8.270 nan 0.000 0.471 276 F N 1.704 121.697 119.950 0.071 0.000 2.216 276 F HA -0.157 4.369 4.527 -0.001 0.000 0.300 276 F C 2.127 177.946 175.800 0.032 0.000 1.085 276 F CA 1.160 59.167 58.000 0.013 0.000 1.326 276 F CB -0.136 38.833 39.000 -0.052 0.000 1.027 276 F HN 0.009 nan 8.300 nan 0.000 0.497 277 A N 0.264 123.119 122.820 0.058 0.000 1.933 277 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 277 A C 1.905 179.461 177.584 -0.045 0.000 1.175 277 A CA 1.950 53.934 52.037 -0.089 0.000 0.628 277 A CB -0.964 17.941 19.000 -0.159 0.000 0.814 277 A HN 0.468 nan 8.150 nan 0.000 0.444 278 D N -0.153 120.311 120.400 0.107 0.000 2.178 278 D HA -0.094 4.545 4.640 -0.001 0.000 0.201 278 D C 2.002 178.293 176.300 -0.016 0.000 0.980 278 D CA 1.364 55.425 54.000 0.102 0.000 0.842 278 D CB -0.492 40.389 40.800 0.134 0.000 0.948 278 D HN 0.276 nan 8.370 nan 0.000 0.472 279 V N 1.072 120.923 119.914 -0.105 0.000 2.358 279 V HA -0.188 3.932 4.120 -0.001 0.000 0.246 279 V C 2.648 178.613 176.094 -0.214 0.000 1.047 279 V CA 1.040 63.250 62.300 -0.150 0.000 1.035 279 V CB -0.506 31.197 31.823 -0.200 0.000 0.658 279 V HN 0.192 nan 8.190 nan 0.000 0.452 280 L N -0.198 120.805 121.223 -0.366 0.000 2.083 280 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 280 L C 2.610 179.398 176.870 -0.137 0.000 1.083 280 L CA 1.899 56.568 54.840 -0.286 0.000 0.752 280 L CB -0.561 41.290 42.059 -0.348 0.000 0.899 280 L HN 0.427 nan 8.230 nan 0.000 0.433 281 E N 0.540 120.681 120.200 -0.098 0.000 2.077 281 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 281 E C 2.127 178.713 176.600 -0.023 0.000 0.989 281 E CA 1.166 57.547 56.400 -0.032 0.000 0.800 281 E CB 0.162 29.877 29.700 0.024 0.000 0.746 281 E HN 0.390 nan 8.360 nan 0.000 0.452 282 K N -0.254 120.129 120.400 -0.028 0.000 2.209 282 K HA -0.087 4.233 4.320 -0.001 0.000 0.204 282 K C 2.001 178.588 176.600 -0.021 0.000 1.048 282 K CA 1.149 57.425 56.287 -0.017 0.000 0.940 282 K CB -0.033 32.459 32.500 -0.013 0.000 0.729 282 K HN 0.247 nan 8.250 nan 0.000 0.451 283 M N -0.973 118.604 119.600 -0.038 0.000 2.492 283 M HA 0.008 4.488 4.480 -0.001 0.000 0.262 283 M C 1.067 177.357 176.300 -0.017 0.000 1.090 283 M CA 1.078 56.361 55.300 -0.027 0.000 1.110 283 M CB 0.621 33.196 32.600 -0.041 0.000 1.407 283 M HN 0.472 nan 8.290 nan 0.000 0.470 284 G N -0.233 108.556 108.800 -0.020 0.000 2.260 284 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.179 284 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.179 284 G C 0.109 175.001 174.900 -0.015 0.000 1.002 284 G CA -0.204 44.889 45.100 -0.011 0.000 0.677 284 G HN 0.596 nan 8.290 nan 0.000 0.486 285 A N 0.155 122.958 122.820 -0.029 0.000 2.287 285 A HA 0.768 5.088 4.320 -0.001 0.000 0.273 285 A C 0.470 178.039 177.584 -0.026 0.000 1.091 285 A CA 0.757 52.775 52.037 -0.033 0.000 0.817 285 A CB 0.551 19.519 19.000 -0.053 0.000 1.069 285 A HN 0.611 nan 8.150 nan 0.000 0.492 286 T N 2.161 116.702 114.554 -0.023 0.000 2.767 286 T HA 0.512 4.861 4.350 -0.001 0.000 0.284 286 T C -0.290 174.390 174.700 -0.033 0.000 0.973 286 T CA -0.046 62.047 62.100 -0.013 0.000 0.996 286 T CB 0.330 69.195 68.868 -0.004 0.000 0.927 286 T HN 0.362 nan 8.240 nan 0.000 0.456 287 I N 2.330 122.882 120.570 -0.029 0.000 2.474 287 I HA 0.418 4.587 4.170 -0.001 0.000 0.294 287 I C -0.229 175.844 176.117 -0.074 0.000 1.005 287 I CA -0.701 60.531 61.300 -0.113 0.000 1.113 287 I CB 1.594 39.488 38.000 -0.177 0.000 1.289 287 I HN 0.649 nan 8.210 nan 0.000 0.436 288 C N 5.125 124.351 119.300 -0.124 0.000 2.408 288 C HA 0.522 4.982 4.460 -0.001 0.000 0.321 288 C C -0.647 174.313 174.990 -0.050 0.000 1.245 288 C CA -0.734 58.307 59.018 0.040 0.000 1.523 288 C CB 0.777 28.608 27.740 0.151 0.000 2.178 288 C HN 0.710 nan 8.230 nan 0.000 0.488 289 W N 2.005 123.318 121.300 0.022 0.000 2.478 289 W HA 0.602 5.262 4.660 -0.001 0.000 0.318 289 W C 0.488 176.774 176.519 -0.390 0.000 1.062 289 W CA 0.080 57.346 57.345 -0.133 0.000 1.210 289 W CB 1.498 30.903 29.460 -0.091 0.000 1.325 289 W HN 0.954 nan 8.180 nan 0.000 0.496 290 G N 0.975 109.391 108.800 -0.640 0.000 2.816 290 G HA2 0.187 4.147 3.960 -0.001 0.000 0.288 290 G HA3 0.187 4.147 3.960 -0.001 0.000 0.288 290 G C -0.461 174.184 174.900 -0.425 0.000 1.334 290 G CA -0.475 44.035 45.100 -0.983 0.000 0.978 290 G HN 0.426 nan 8.290 nan 0.000 0.493 291 D N -1.491 118.750 120.400 -0.265 0.000 2.144 291 D HA -0.067 4.573 4.640 -0.001 0.000 0.200 291 D C 0.746 177.000 176.300 -0.077 0.000 0.978 291 D CA 1.275 55.210 54.000 -0.108 0.000 0.833 291 D CB 0.361 41.130 40.800 -0.052 0.000 0.961 291 D HN 0.284 nan 8.370 nan 0.000 0.470 292 D N -1.528 118.828 120.400 -0.073 0.000 2.720 292 D HA 0.118 4.758 4.640 -0.001 0.000 0.285 292 D C -1.324 175.037 176.300 0.101 0.000 1.359 292 D CA -0.487 53.523 54.000 0.016 0.000 0.818 292 D CB 0.087 40.914 40.800 0.045 0.000 1.108 292 D HN 0.250 nan 8.370 nan 0.000 0.474 293 Y N -1.611 118.712 120.300 0.037 0.000 2.677 293 Y HA 0.590 5.139 4.550 -0.001 0.000 0.334 293 Y C -1.981 173.913 175.900 -0.010 0.000 1.196 293 Y CA -1.579 56.525 58.100 0.006 0.000 1.059 293 Y CB 0.842 39.295 38.460 -0.010 0.000 1.315 293 Y HN -0.186 nan 8.280 nan 0.000 0.455 294 I N 2.801 123.518 120.570 0.245 0.000 2.656 294 I HA 0.632 4.802 4.170 -0.001 0.000 0.292 294 I C -0.966 175.197 176.117 0.076 0.000 1.144 294 I CA -0.834 60.452 61.300 -0.023 0.000 1.038 294 I CB 2.565 40.392 38.000 -0.289 0.000 1.244 294 I HN 0.850 nan 8.210 nan 0.000 0.420 295 S N 4.029 119.734 115.700 0.009 0.000 2.570 295 S HA 0.716 5.185 4.470 -0.001 0.000 0.286 295 S C -1.093 173.456 174.600 -0.085 0.000 1.099 295 S CA -0.725 57.460 58.200 -0.025 0.000 0.913 295 S CB 2.156 65.333 63.200 -0.038 0.000 1.085 295 S HN 0.762 nan 8.310 nan 0.000 0.480 296 C N 2.139 121.406 119.300 -0.055 0.000 2.547 296 C HA 0.847 5.306 4.460 -0.001 0.000 0.313 296 C C -0.437 174.532 174.990 -0.035 0.000 1.191 296 C CA 0.114 59.099 59.018 -0.054 0.000 1.474 296 C CB 0.603 28.323 27.740 -0.033 0.000 2.081 296 C HN 1.003 nan 8.230 nan 0.000 0.476 297 T N 4.425 118.959 114.554 -0.034 0.000 2.841 297 T HA 0.440 4.789 4.350 -0.001 0.000 0.283 297 T C -0.405 174.281 174.700 -0.024 0.000 1.000 297 T CA -0.410 61.674 62.100 -0.026 0.000 0.977 297 T CB 1.178 70.033 68.868 -0.022 0.000 0.979 297 T HN 0.827 nan 8.240 nan 0.000 0.446 298 R N 1.828 122.314 120.500 -0.023 0.000 2.537 298 R HA 0.365 4.705 4.340 -0.001 0.000 0.281 298 R C 0.819 177.109 176.300 -0.016 0.000 0.988 298 R CA 0.867 56.953 56.100 -0.023 0.000 1.077 298 R CB -0.298 29.987 30.300 -0.025 0.000 0.932 298 R HN 0.832 nan 8.270 nan 0.000 0.409 299 G N 3.307 112.099 108.800 -0.014 0.000 2.581 299 G HA2 0.227 4.186 3.960 -0.001 0.000 0.194 299 G HA3 0.227 4.186 3.960 -0.001 0.000 0.194 299 G C -0.745 174.154 174.900 -0.002 0.000 1.814 299 G CA 0.320 45.416 45.100 -0.007 0.000 0.745 299 G HN 0.717 nan 8.290 nan 0.000 0.802 300 E N -1.214 118.986 120.200 -0.000 0.000 2.458 300 E HA 0.677 5.027 4.350 -0.001 0.000 0.278 300 E C -1.883 174.723 176.600 0.010 0.000 1.004 300 E CA -0.900 55.505 56.400 0.009 0.000 0.823 300 E CB 1.773 31.480 29.700 0.011 0.000 1.396 300 E HN 0.225 nan 8.360 nan 0.000 0.463 301 L N 1.640 122.878 121.223 0.025 0.000 2.404 301 L HA 0.492 4.831 4.340 -0.001 0.000 0.272 301 L C -1.193 175.697 176.870 0.032 0.000 0.980 301 L CA -0.898 53.961 54.840 0.030 0.000 0.836 301 L CB 1.710 43.806 42.059 0.061 0.000 1.238 301 L HN 0.492 nan 8.230 nan 0.000 0.408 302 N N 2.200 120.911 118.700 0.019 0.000 2.321 302 N HA 0.546 5.285 4.740 -0.001 0.000 0.299 302 N C -0.228 175.291 175.510 0.015 0.000 1.048 302 N CA -0.470 52.590 53.050 0.017 0.000 0.836 302 N CB 2.563 41.056 38.487 0.010 0.000 1.269 302 N HN 0.615 nan 8.380 nan 0.000 0.486 303 A N 1.435 124.265 122.820 0.016 0.000 2.507 303 A HA 0.390 4.710 4.320 -0.001 0.000 0.235 303 A C 0.287 177.876 177.584 0.009 0.000 1.070 303 A CA 0.236 52.282 52.037 0.015 0.000 0.768 303 A CB -0.333 18.675 19.000 0.014 0.000 1.011 303 A HN 0.663 nan 8.150 nan 0.000 0.502 304 I N -2.066 118.509 120.570 0.009 0.000 3.145 304 I HA 0.738 4.908 4.170 -0.001 0.000 0.313 304 I C -0.912 175.208 176.117 0.005 0.000 1.122 304 I CA -0.990 60.313 61.300 0.005 0.000 0.987 304 I CB 2.307 40.308 38.000 0.003 0.000 1.236 304 I HN 0.381 nan 8.210 nan 0.000 0.453 305 D N 3.685 124.085 120.400 0.000 0.000 2.421 305 D HA 0.607 5.247 4.640 -0.001 0.000 0.254 305 D C -1.376 174.922 176.300 -0.004 0.000 1.238 305 D CA -0.083 53.912 54.000 -0.008 0.000 0.919 305 D CB 0.922 41.710 40.800 -0.020 0.000 1.152 305 D HN 0.694 nan 8.370 nan 0.000 0.552 306 M N 1.198 120.803 119.600 0.007 0.000 2.593 306 M HA 0.250 4.730 4.480 -0.001 0.000 0.290 306 M C -0.727 175.593 176.300 0.034 0.000 1.244 306 M CA -1.040 54.276 55.300 0.027 0.000 0.857 306 M CB 2.524 35.160 32.600 0.059 0.000 1.738 306 M HN 0.094 nan 8.290 nan 0.000 0.461 307 D N 2.296 122.728 120.400 0.053 0.000 2.317 307 D HA 0.205 4.844 4.640 -0.001 0.000 0.252 307 D C -0.253 176.141 176.300 0.157 0.000 1.174 307 D CA 0.077 54.117 54.000 0.067 0.000 0.866 307 D CB 0.980 41.813 40.800 0.055 0.000 1.127 307 D HN 0.472 nan 8.370 nan 0.000 0.467 308 M N 3.408 123.066 119.600 0.096 0.000 2.475 308 M HA 0.027 4.506 4.480 -0.001 0.000 0.283 308 M C 1.326 177.658 176.300 0.053 0.000 1.165 308 M CA -0.230 55.106 55.300 0.061 0.000 0.976 308 M CB -0.744 31.861 32.600 0.008 0.000 1.428 308 M HN 0.471 nan 8.290 nan 0.000 0.495 309 N N 1.463 120.256 118.700 0.154 0.000 2.272 309 N HA -0.196 4.543 4.740 -0.001 0.000 0.185 309 N C 1.475 177.094 175.510 0.181 0.000 1.014 309 N CA 1.222 54.360 53.050 0.146 0.000 0.870 309 N CB 0.079 38.647 38.487 0.134 0.000 0.975 309 N HN 0.534 nan 8.380 nan 0.000 0.433 310 H N 0.164 119.278 119.070 0.073 0.000 2.529 310 H HA 0.030 4.586 4.556 -0.001 0.000 0.277 310 H C 1.128 176.510 175.328 0.090 0.000 0.999 310 H CA 0.447 56.533 56.048 0.063 0.000 1.256 310 H CB -0.215 29.561 29.762 0.024 0.000 1.402 310 H HN 0.329 nan 8.280 nan 0.000 0.566 311 I N -1.271 119.104 120.570 -0.324 0.000 2.931 311 I HA 0.288 4.458 4.170 -0.001 0.000 0.322 311 I C -2.221 173.917 176.117 0.035 0.000 1.446 311 I CA -2.076 59.137 61.300 -0.145 0.000 0.825 311 I CB 1.681 39.541 38.000 -0.233 0.000 2.195 311 I HN -0.247 nan 8.210 nan 0.000 0.608 312 P HA -0.191 nan 4.420 nan 0.000 0.216 312 P C 0.563 178.038 177.300 0.291 0.000 1.153 312 P CA 1.625 64.918 63.100 0.321 0.000 0.858 312 P CB 0.404 32.277 31.700 0.289 0.000 0.789 313 D N 0.110 120.572 120.400 0.103 0.000 2.110 313 D HA -0.022 4.617 4.640 -0.001 0.000 0.202 313 D C 2.259 178.480 176.300 -0.132 0.000 0.975 313 D CA 1.557 55.517 54.000 -0.067 0.000 0.839 313 D CB -1.077 39.693 40.800 -0.049 0.000 0.996 313 D HN 0.090 nan 8.370 nan 0.000 0.464 314 A N 0.930 123.674 122.820 -0.127 0.000 2.070 314 A HA -0.027 4.293 4.320 -0.001 0.000 0.220 314 A C 2.210 179.770 177.584 -0.040 0.000 1.159 314 A CA 1.858 53.722 52.037 -0.288 0.000 0.656 314 A CB -0.595 18.256 19.000 -0.249 0.000 0.800 314 A HN 0.218 nan 8.150 nan 0.000 0.453 315 A N -0.352 122.553 122.820 0.142 0.000 1.972 315 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 315 A C 2.159 179.963 177.584 0.367 0.000 1.169 315 A CA 1.658 53.877 52.037 0.304 0.000 0.635 315 A CB -0.541 18.689 19.000 0.384 0.000 0.810 315 A HN 0.557 nan 8.150 nan 0.000 0.446 316 M N -0.720 118.982 119.600 0.170 0.000 2.159 316 M HA -0.132 4.347 4.480 -0.001 0.000 0.263 316 M C 2.119 178.412 176.300 -0.011 0.000 1.063 316 M CA 1.909 57.163 55.300 -0.076 0.000 1.110 316 M CB -0.757 31.564 32.600 -0.465 0.000 1.374 316 M HN 0.420 nan 8.290 nan 0.000 0.411 317 T N 1.023 115.540 114.554 -0.061 0.000 2.788 317 T HA -0.069 4.281 4.350 -0.001 0.000 0.268 317 T C 1.802 176.581 174.700 0.133 0.000 1.044 317 T CA 0.987 63.054 62.100 -0.055 0.000 1.139 317 T CB -0.137 68.488 68.868 -0.406 0.000 0.867 317 T HN 0.210 nan 8.240 nan 0.000 0.454 318 I N 1.789 122.515 120.570 0.259 0.000 2.286 318 I HA -0.103 4.067 4.170 -0.001 0.000 0.248 318 I C 2.910 179.113 176.117 0.143 0.000 1.115 318 I CA 0.887 62.321 61.300 0.224 0.000 1.392 318 I CB -1.599 36.521 38.000 0.200 0.000 1.065 318 I HN 0.189 nan 8.210 nan 0.000 0.418 319 A N 1.106 124.020 122.820 0.158 0.000 1.908 319 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 319 A C 2.385 179.974 177.584 0.010 0.000 1.181 319 A CA 2.726 54.838 52.037 0.125 0.000 0.627 319 A CB -1.063 18.081 19.000 0.241 0.000 0.818 319 A HN 0.547 nan 8.150 nan 0.000 0.445 320 T N -2.689 111.821 114.554 -0.073 0.000 3.014 320 T HA 0.326 4.676 4.350 -0.001 0.000 0.263 320 T C 1.921 176.646 174.700 0.042 0.000 1.078 320 T CA 1.049 63.049 62.100 -0.167 0.000 1.135 320 T CB -0.317 68.316 68.868 -0.392 0.000 0.895 320 T HN 0.521 nan 8.240 nan 0.000 0.480 321 A N 1.850 124.744 122.820 0.124 0.000 2.019 321 A HA 0.351 4.670 4.320 -0.001 0.000 0.219 321 A C 2.717 180.432 177.584 0.217 0.000 1.164 321 A CA 1.502 53.685 52.037 0.242 0.000 0.644 321 A CB -1.246 17.856 19.000 0.170 0.000 0.805 321 A HN 0.676 nan 8.150 nan 0.000 0.449 322 A N -0.118 122.762 122.820 0.099 0.000 2.024 322 A HA -0.058 4.262 4.320 -0.001 0.000 0.220 322 A C 2.024 179.602 177.584 -0.010 0.000 1.164 322 A CA 1.373 53.441 52.037 0.052 0.000 0.643 322 A CB -0.596 18.425 19.000 0.036 0.000 0.806 322 A HN 0.507 nan 8.150 nan 0.000 0.451 323 L N -2.165 118.995 121.223 -0.106 0.000 2.187 323 L HA -0.155 4.184 4.340 -0.001 0.000 0.213 323 L C 1.605 178.201 176.870 -0.458 0.000 1.100 323 L CA 1.079 55.715 54.840 -0.340 0.000 0.765 323 L CB -0.384 41.323 42.059 -0.586 0.000 0.904 323 L HN 0.470 nan 8.230 nan 0.000 0.437 324 F N -0.569 119.381 119.950 0.000 0.000 2.695 324 F HA 0.322 4.848 4.527 -0.001 0.000 0.303 324 F C 1.233 177.036 175.800 0.005 0.000 1.091 324 F CA -0.398 57.605 58.000 0.005 0.000 1.300 324 F CB -0.159 38.845 39.000 0.006 0.000 1.071 324 F HN -0.121 nan 8.300 nan 0.000 0.578 325 A N 0.779 123.674 122.820 0.125 0.000 2.279 325 A HA 0.433 4.753 4.320 -0.001 0.000 0.303 325 A C 0.001 177.612 177.584 0.045 0.000 1.108 325 A CA -0.678 51.407 52.037 0.081 0.000 0.830 325 A CB 0.544 19.581 19.000 0.061 0.000 1.106 325 A HN 0.176 nan 8.150 nan 0.000 0.493 326 K N 0.914 121.337 120.400 0.038 0.000 2.316 326 K HA 0.485 4.804 4.320 -0.001 0.000 0.289 326 K C 0.408 177.018 176.600 0.017 0.000 1.070 326 K CA 0.939 57.241 56.287 0.025 0.000 0.928 326 K CB 0.001 32.516 32.500 0.024 0.000 1.039 326 K HN 1.743 nan 8.250 nan 0.000 0.480 327 G N 1.961 110.768 108.800 0.012 0.000 2.592 327 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.684 327 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.684 327 G C -0.905 174.001 174.900 0.009 0.000 1.291 327 G CA -0.890 44.215 45.100 0.010 0.000 0.891 327 G HN 0.511 nan 8.290 nan 0.000 0.544 328 T N 1.629 116.188 114.554 0.009 0.000 2.743 328 T HA 0.598 4.947 4.350 -0.001 0.000 0.293 328 T C 0.481 175.190 174.700 0.014 0.000 0.945 328 T CA 0.377 62.484 62.100 0.012 0.000 1.030 328 T CB 1.152 70.028 68.868 0.014 0.000 0.912 328 T HN 0.718 nan 8.240 nan 0.000 0.483 329 T N 3.721 118.287 114.554 0.020 0.000 2.837 329 T HA 0.476 4.826 4.350 -0.001 0.000 0.285 329 T C 0.142 174.860 174.700 0.029 0.000 0.984 329 T CA -0.420 61.694 62.100 0.023 0.000 1.049 329 T CB 0.872 69.759 68.868 0.031 0.000 0.947 329 T HN 0.493 nan 8.240 nan 0.000 0.472 330 T N 4.206 118.772 114.554 0.020 0.000 2.841 330 T HA 0.521 4.870 4.350 -0.001 0.000 0.285 330 T C -0.549 174.156 174.700 0.009 0.000 0.991 330 T CA -0.615 61.498 62.100 0.022 0.000 0.966 330 T CB 0.538 69.400 68.868 -0.011 0.000 0.962 330 T HN 0.339 nan 8.240 nan 0.000 0.438 331 L N 4.086 125.312 121.223 0.004 0.000 2.298 331 L HA 0.607 4.947 4.340 -0.001 0.000 0.284 331 L C 0.367 177.202 176.870 -0.059 0.000 1.013 331 L CA -0.880 53.933 54.840 -0.044 0.000 0.824 331 L CB 1.389 43.389 42.059 -0.098 0.000 1.221 331 L HN 0.378 nan 8.230 nan 0.000 0.418 332 R N 1.731 122.206 120.500 -0.041 0.000 2.828 332 R HA 0.372 4.711 4.340 -0.001 0.000 0.264 332 R C 0.090 176.373 176.300 -0.029 0.000 1.022 332 R CA -1.072 55.021 56.100 -0.013 0.000 1.021 332 R CB 0.803 31.084 30.300 -0.032 0.000 1.163 332 R HN 0.589 nan 8.270 nan 0.000 0.494 333 N N 1.211 119.918 118.700 0.012 0.000 2.738 333 N HA -0.151 4.588 4.740 -0.001 0.000 0.249 333 N C -0.566 174.927 175.510 -0.029 0.000 1.047 333 N CA 0.672 53.737 53.050 0.025 0.000 0.707 333 N CB -0.860 37.653 38.487 0.043 0.000 0.937 333 N HN 0.642 nan 8.380 nan 0.000 0.545 334 I N -3.331 117.147 120.570 -0.153 0.000 3.424 334 I HA 0.217 4.387 4.170 -0.001 0.000 0.339 334 I C 1.323 177.284 176.117 -0.260 0.000 1.549 334 I CA -0.901 60.195 61.300 -0.339 0.000 1.049 334 I CB -0.241 37.160 38.000 -0.998 0.000 1.439 334 I HN 0.057 nan 8.210 nan 0.000 0.500 335 Y N 3.783 124.001 120.300 -0.137 0.000 2.151 335 Y HA -0.300 4.249 4.550 -0.001 0.000 0.284 335 Y C 2.196 178.095 175.900 -0.003 0.000 1.166 335 Y CA 2.500 60.532 58.100 -0.113 0.000 1.163 335 Y CB -0.289 38.127 38.460 -0.073 0.000 0.974 335 Y HN 0.647 nan 8.280 nan 0.000 0.511 336 N N -1.651 117.024 118.700 -0.041 0.000 2.626 336 N HA -0.199 4.540 4.740 -0.001 0.000 0.193 336 N C 1.082 176.603 175.510 0.018 0.000 1.213 336 N CA 0.441 53.457 53.050 -0.057 0.000 0.914 336 N CB -0.646 37.889 38.487 0.080 0.000 0.994 336 N HN 0.338 nan 8.380 nan 0.000 0.447 337 W N 1.808 122.968 121.300 -0.233 0.000 2.374 337 W HA 0.072 4.731 4.660 -0.001 0.000 0.288 337 W C 2.123 178.508 176.519 -0.223 0.000 1.218 337 W CA 0.373 57.610 57.345 -0.179 0.000 1.245 337 W CB -0.209 29.160 29.460 -0.152 0.000 1.126 337 W HN 0.137 nan 8.180 nan 0.000 0.545 338 R N -0.169 120.244 120.500 -0.144 0.000 2.189 338 R HA -0.068 4.271 4.340 -0.001 0.000 0.223 338 R C 1.435 177.654 176.300 -0.135 0.000 1.092 338 R CA 1.533 57.502 56.100 -0.219 0.000 0.989 338 R CB -0.573 29.426 30.300 -0.502 0.000 0.876 338 R HN 0.191 nan 8.270 nan 0.000 0.457 339 V N -2.203 117.643 119.914 -0.114 0.000 3.177 339 V HA 0.261 4.380 4.120 -0.001 0.000 0.342 339 V C 0.443 176.533 176.094 -0.006 0.000 1.379 339 V CA -0.267 62.020 62.300 -0.021 0.000 1.191 339 V CB -0.205 31.632 31.823 0.022 0.000 1.167 339 V HN -0.005 nan 8.190 nan 0.000 0.471 340 K N 0.014 120.397 120.400 -0.029 0.000 2.617 340 K HA 0.433 4.752 4.320 -0.001 0.000 0.298 340 K C 1.261 177.853 176.600 -0.013 0.000 0.984 340 K CA -0.387 55.881 56.287 -0.032 0.000 1.299 340 K CB 0.268 32.728 32.500 -0.067 0.000 1.608 340 K HN -0.064 nan 8.250 nan 0.000 0.730 341 E N 0.512 120.708 120.200 -0.007 0.000 2.208 341 E HA -0.182 4.167 4.350 -0.001 0.000 0.202 341 E C 0.666 177.283 176.600 0.029 0.000 1.014 341 E CA 1.392 57.804 56.400 0.021 0.000 0.819 341 E CB -0.035 29.704 29.700 0.066 0.000 0.735 341 E HN 0.445 nan 8.360 nan 0.000 0.469 342 T N -1.139 113.417 114.554 0.003 0.000 2.693 342 T HA 0.064 4.414 4.350 -0.001 0.000 0.304 342 T C -2.008 172.676 174.700 -0.026 0.000 1.471 342 T CA -0.789 61.323 62.100 0.020 0.000 0.993 342 T CB 1.627 70.525 68.868 0.050 0.000 1.554 342 T HN -0.159 nan 8.240 nan 0.000 0.496 343 D N 1.264 121.662 120.400 -0.003 0.000 2.359 343 D HA 0.240 4.879 4.640 -0.001 0.000 0.250 343 D C 1.197 177.483 176.300 -0.024 0.000 1.264 343 D CA -0.089 53.911 54.000 -0.000 0.000 0.911 343 D CB 0.608 41.428 40.800 0.034 0.000 1.056 343 D HN 0.429 nan 8.370 nan 0.000 0.499 344 R N 2.670 123.139 120.500 -0.052 0.000 2.189 344 R HA -0.012 4.327 4.340 -0.001 0.000 0.223 344 R C 1.938 178.318 176.300 0.132 0.000 1.092 344 R CA 0.573 56.600 56.100 -0.121 0.000 0.989 344 R CB 0.229 30.286 30.300 -0.404 0.000 0.876 344 R HN 0.472 nan 8.270 nan 0.000 0.457 345 L N -0.585 120.805 121.223 0.278 0.000 2.044 345 L HA -0.136 4.203 4.340 -0.001 0.000 0.205 345 L C 2.171 179.115 176.870 0.123 0.000 1.075 345 L CA 0.995 55.995 54.840 0.266 0.000 0.747 345 L CB -0.321 41.792 42.059 0.090 0.000 0.903 345 L HN 0.126 nan 8.230 nan 0.000 0.435 346 F N 0.750 120.677 119.950 -0.039 0.000 2.075 346 F HA -0.233 4.294 4.527 -0.001 0.000 0.297 346 F C 2.394 178.116 175.800 -0.131 0.000 1.113 346 F CA 1.387 59.349 58.000 -0.063 0.000 1.218 346 F CB -0.437 38.529 39.000 -0.057 0.000 0.984 346 F HN 0.004 nan 8.300 nan 0.000 0.472 347 A N 0.365 122.957 122.820 -0.379 0.000 1.858 347 A HA -0.223 4.096 4.320 -0.001 0.000 0.216 347 A C 2.231 179.536 177.584 -0.465 0.000 1.190 347 A CA 2.089 53.623 52.037 -0.837 0.000 0.617 347 A CB -1.039 17.206 19.000 -1.258 0.000 0.827 347 A HN 0.529 nan 8.150 nan 0.000 0.443 348 M N 0.304 119.789 119.600 -0.190 0.000 2.080 348 M HA -0.061 4.418 4.480 -0.001 0.000 0.260 348 M C 2.151 178.483 176.300 0.053 0.000 1.068 348 M CA 1.863 57.199 55.300 0.060 0.000 1.109 348 M CB -0.687 32.035 32.600 0.203 0.000 1.342 348 M HN 0.382 nan 8.290 nan 0.000 0.405 349 A N -1.192 121.605 122.820 -0.037 0.000 1.877 349 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 349 A C 2.201 179.708 177.584 -0.128 0.000 1.186 349 A CA 2.369 54.373 52.037 -0.055 0.000 0.620 349 A CB -1.453 17.504 19.000 -0.073 0.000 0.822 349 A HN 0.582 nan 8.150 nan 0.000 0.443 350 T N 0.178 114.550 114.554 -0.303 0.000 2.652 350 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 350 T C 1.797 176.388 174.700 -0.183 0.000 1.039 350 T CA 1.585 63.501 62.100 -0.306 0.000 1.153 350 T CB -0.263 68.306 68.868 -0.499 0.000 0.863 350 T HN 0.493 nan 8.240 nan 0.000 0.428 351 E N 1.083 121.154 120.200 -0.216 0.000 2.152 351 E HA 0.067 4.417 4.350 -0.001 0.000 0.192 351 E C 2.348 178.925 176.600 -0.038 0.000 0.983 351 E CA 0.471 56.680 56.400 -0.317 0.000 0.818 351 E CB -0.502 28.639 29.700 -0.932 0.000 0.758 351 E HN 0.452 nan 8.360 nan 0.000 0.467 352 L N 0.485 121.820 121.223 0.188 0.000 2.046 352 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 352 L C 2.597 179.518 176.870 0.084 0.000 1.077 352 L CA 1.144 56.132 54.840 0.246 0.000 0.747 352 L CB -0.275 41.889 42.059 0.175 0.000 0.896 352 L HN 0.045 nan 8.230 nan 0.000 0.432 353 R N 0.072 120.585 120.500 0.022 0.000 2.120 353 R HA -0.157 4.182 4.340 -0.001 0.000 0.234 353 R C 2.213 178.507 176.300 -0.010 0.000 1.123 353 R CA 1.058 57.157 56.100 -0.003 0.000 0.975 353 R CB -0.191 30.096 30.300 -0.022 0.000 0.866 353 R HN 0.348 nan 8.270 nan 0.000 0.446 354 K N 0.472 120.855 120.400 -0.027 0.000 2.148 354 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 354 K C 1.762 178.345 176.600 -0.028 0.000 1.050 354 K CA 1.355 57.616 56.287 -0.043 0.000 0.942 354 K CB 0.126 32.570 32.500 -0.094 0.000 0.724 354 K HN 0.156 nan 8.250 nan 0.000 0.446 355 V N -3.398 116.516 119.914 -0.000 0.000 3.633 355 V HA 0.360 4.480 4.120 -0.001 0.000 0.283 355 V C 0.950 177.041 176.094 -0.006 0.000 1.305 355 V CA 0.536 62.837 62.300 0.001 0.000 1.153 355 V CB -0.129 31.716 31.823 0.035 0.000 0.950 355 V HN 0.398 nan 8.190 nan 0.000 0.432 356 G N -0.510 108.288 108.800 -0.004 0.000 2.231 356 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.206 356 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.206 356 G C 0.420 175.312 174.900 -0.014 0.000 0.996 356 G CA 0.018 45.113 45.100 -0.009 0.000 0.645 356 G HN 1.457 nan 8.290 nan 0.000 0.498 357 A N 0.262 123.073 122.820 -0.015 0.000 2.351 357 A HA 0.634 4.953 4.320 -0.001 0.000 0.257 357 A C 0.348 177.931 177.584 -0.001 0.000 1.087 357 A CA 0.545 52.573 52.037 -0.015 0.000 0.798 357 A CB 0.514 19.505 19.000 -0.016 0.000 1.033 357 A HN 0.536 nan 8.150 nan 0.000 0.488 358 E N 1.165 121.365 120.200 0.001 0.000 2.146 358 E HA 0.511 4.860 4.350 -0.001 0.000 0.282 358 E C -1.459 175.150 176.600 0.016 0.000 0.989 358 E CA -0.340 56.065 56.400 0.009 0.000 0.799 358 E CB 0.853 30.560 29.700 0.011 0.000 1.088 358 E HN 0.372 nan 8.360 nan 0.000 0.397 359 V N 4.477 124.401 119.914 0.018 0.000 2.638 359 V HA 0.253 4.372 4.120 -0.001 0.000 0.306 359 V C -0.460 175.649 176.094 0.025 0.000 1.052 359 V CA -0.861 61.453 62.300 0.024 0.000 0.885 359 V CB 1.763 33.598 31.823 0.019 0.000 0.999 359 V HN 0.732 nan 8.190 nan 0.000 0.424 360 E N 3.517 123.741 120.200 0.039 0.000 2.109 360 E HA 0.274 4.624 4.350 -0.001 0.000 0.278 360 E C -0.446 176.141 176.600 -0.021 0.000 0.954 360 E CA -0.422 56.000 56.400 0.037 0.000 0.779 360 E CB 1.125 30.885 29.700 0.099 0.000 1.093 360 E HN 0.794 nan 8.360 nan 0.000 0.401 361 E N 4.195 124.363 120.200 -0.054 0.000 1.941 361 E HA 0.239 4.589 4.350 -0.001 0.000 0.275 361 E C -0.255 176.191 176.600 -0.256 0.000 1.113 361 E CA -0.436 55.895 56.400 -0.115 0.000 0.878 361 E CB 0.440 30.123 29.700 -0.028 0.000 1.070 361 E HN 0.663 nan 8.360 nan 0.000 0.399 362 G N 2.128 110.537 108.800 -0.651 0.000 2.599 362 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.264 362 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.264 362 G C 0.514 175.076 174.900 -0.564 0.000 1.200 362 G CA -0.268 44.143 45.100 -1.149 0.000 0.896 362 G HN 0.787 nan 8.290 nan 0.000 0.536 363 H N -0.318 118.550 119.070 -0.336 0.000 2.352 363 H HA -0.119 4.436 4.556 -0.001 0.000 0.299 363 H C 1.033 176.390 175.328 0.049 0.000 1.097 363 H CA 2.287 58.307 56.048 -0.047 0.000 1.311 363 H CB 0.385 30.179 29.762 0.053 0.000 1.377 363 H HN 0.511 nan 8.280 nan 0.000 0.504 364 D N -1.864 118.490 120.400 -0.078 0.000 2.760 364 D HA 0.096 4.736 4.640 -0.001 0.000 0.314 364 D C -0.655 175.652 176.300 0.011 0.000 1.464 364 D CA -0.509 53.480 54.000 -0.019 0.000 0.797 364 D CB -0.998 39.901 40.800 0.166 0.000 1.149 364 D HN 0.511 nan 8.370 nan 0.000 0.455 365 Y N -1.915 118.310 120.300 -0.125 0.000 2.725 365 Y HA 0.700 5.250 4.550 -0.001 0.000 0.333 365 Y C -1.995 173.814 175.900 -0.151 0.000 1.242 365 Y CA -1.771 56.226 58.100 -0.172 0.000 1.059 365 Y CB 1.334 39.741 38.460 -0.089 0.000 1.306 365 Y HN -0.059 nan 8.280 nan 0.000 0.454 366 I N 1.813 122.416 120.570 0.055 0.000 2.692 366 I HA 0.546 4.716 4.170 -0.001 0.000 0.293 366 I C -1.581 174.617 176.117 0.135 0.000 1.200 366 I CA -0.960 60.348 61.300 0.013 0.000 1.036 366 I CB 1.947 39.912 38.000 -0.058 0.000 1.258 366 I HN 0.890 nan 8.210 nan 0.000 0.421 367 R N 7.928 128.514 120.500 0.143 0.000 2.437 367 R HA 0.691 5.030 4.340 -0.001 0.000 0.310 367 R C -1.891 174.451 176.300 0.069 0.000 0.955 367 R CA -0.528 55.642 56.100 0.116 0.000 0.851 367 R CB 1.315 31.701 30.300 0.144 0.000 1.161 367 R HN 0.618 nan 8.270 nan 0.000 0.446 368 I N 3.601 124.201 120.570 0.050 0.000 2.382 368 I HA 0.256 4.425 4.170 -0.001 0.000 0.286 368 I C -0.485 175.643 176.117 0.018 0.000 1.002 368 I CA -0.601 60.719 61.300 0.033 0.000 1.135 368 I CB 2.351 40.370 38.000 0.031 0.000 1.288 368 I HN 0.534 nan 8.210 nan 0.000 0.448 369 T N 7.519 122.080 114.554 0.012 0.000 2.801 369 T HA 0.329 4.679 4.350 -0.001 0.000 0.306 369 T C -2.412 172.280 174.700 -0.013 0.000 1.020 369 T CA -1.342 60.760 62.100 0.003 0.000 0.948 369 T CB 0.869 69.742 68.868 0.009 0.000 0.962 369 T HN 0.335 nan 8.240 nan 0.000 0.465 370 P HA 0.220 nan 4.420 nan 0.000 0.269 370 P C -2.503 174.769 177.300 -0.046 0.000 1.209 370 P CA -1.235 61.830 63.100 -0.059 0.000 0.776 370 P CB 0.068 31.720 31.700 -0.080 0.000 0.876 371 P HA 0.189 nan 4.420 nan 0.000 0.278 371 P C 0.817 178.097 177.300 -0.034 0.000 1.266 371 P CA -0.204 62.875 63.100 -0.036 0.000 0.807 371 P CB 1.131 32.809 31.700 -0.035 0.000 1.094 372 E N 0.148 120.339 120.200 -0.015 0.000 2.110 372 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 372 E C 0.634 177.231 176.600 -0.005 0.000 0.988 372 E CA 1.515 57.912 56.400 -0.005 0.000 0.804 372 E CB 0.001 29.703 29.700 0.004 0.000 0.745 372 E HN 0.573 nan 8.360 nan 0.000 0.458 373 K N -0.507 119.888 120.400 -0.009 0.000 2.523 373 K HA 0.411 4.730 4.320 -0.001 0.000 0.257 373 K C -0.642 175.950 176.600 -0.015 0.000 0.932 373 K CA -0.622 55.664 56.287 -0.003 0.000 0.812 373 K CB 1.436 33.948 32.500 0.020 0.000 1.326 373 K HN -0.201 nan 8.250 nan 0.000 0.433 374 L N 2.476 123.684 121.223 -0.024 0.000 2.453 374 L HA 0.284 4.623 4.340 -0.001 0.000 0.261 374 L C 0.353 177.239 176.870 0.027 0.000 1.179 374 L CA -0.583 54.241 54.840 -0.026 0.000 0.813 374 L CB 0.381 42.410 42.059 -0.050 0.000 1.110 374 L HN 0.863 nan 8.230 nan 0.000 0.466 375 N N 0.467 119.189 118.700 0.037 0.000 2.380 375 N HA 0.306 5.046 4.740 -0.001 0.000 0.290 375 N C -0.936 174.639 175.510 0.109 0.000 1.236 375 N CA -0.742 52.357 53.050 0.083 0.000 0.780 375 N CB 1.984 40.515 38.487 0.073 0.000 1.438 375 N HN 0.352 nan 8.380 nan 0.000 0.491 376 F N 0.764 120.729 119.950 0.024 0.000 2.496 376 F HA 0.448 4.974 4.527 -0.001 0.000 0.344 376 F C -0.197 175.615 175.800 0.020 0.000 1.155 376 F CA 0.156 58.172 58.000 0.027 0.000 1.302 376 F CB 0.464 39.474 39.000 0.018 0.000 1.159 376 F HN 0.761 nan 8.300 nan 0.000 0.595 377 A N 4.457 126.557 122.820 -1.200 0.000 2.589 377 A HA 0.374 4.694 4.320 -0.001 0.000 0.296 377 A C -1.350 175.567 177.584 -1.110 0.000 1.062 377 A CA -0.817 50.719 52.037 -0.835 0.000 0.686 377 A CB 1.070 19.868 19.000 -0.336 0.000 1.282 377 A HN 0.782 nan 8.150 nan 0.000 0.404 378 E N 2.480 122.348 120.200 -0.554 0.000 2.046 378 E HA 0.394 4.744 4.350 -0.001 0.000 0.279 378 E C -0.656 175.798 176.600 -0.244 0.000 0.989 378 E CA -0.562 55.663 56.400 -0.292 0.000 0.798 378 E CB 0.314 29.989 29.700 -0.042 0.000 1.086 378 E HN 0.494 nan 8.360 nan 0.000 0.399 379 I N 3.599 124.020 120.570 -0.249 0.000 2.471 379 I HA 0.127 4.297 4.170 -0.001 0.000 0.286 379 I C 0.667 176.655 176.117 -0.215 0.000 1.079 379 I CA -0.166 60.973 61.300 -0.268 0.000 1.398 379 I CB 0.373 38.208 38.000 -0.274 0.000 1.403 379 I HN 0.510 nan 8.210 nan 0.000 0.530 380 A N 4.948 127.627 122.820 -0.235 0.000 2.363 380 A HA 0.469 4.788 4.320 -0.001 0.000 0.270 380 A C 1.007 178.504 177.584 -0.144 0.000 1.121 380 A CA -0.266 51.610 52.037 -0.268 0.000 0.800 380 A CB 0.171 18.899 19.000 -0.454 0.000 1.052 380 A HN 0.845 nan 8.150 nan 0.000 0.493 381 T N -1.618 112.878 114.554 -0.097 0.000 3.023 381 T HA 0.193 4.543 4.350 -0.001 0.000 0.253 381 T C 0.205 175.063 174.700 0.264 0.000 1.038 381 T CA 0.480 62.643 62.100 0.104 0.000 0.962 381 T CB -0.662 68.231 68.868 0.041 0.000 1.018 381 T HN 0.816 nan 8.240 nan 0.000 0.521 382 Y N 2.464 122.739 120.300 -0.043 0.000 3.978 382 Y HA -0.291 4.258 4.550 -0.001 0.000 0.219 382 Y C 0.676 176.575 175.900 -0.002 0.000 1.153 382 Y CA 0.380 58.472 58.100 -0.013 0.000 1.718 382 Y CB -3.054 35.403 38.460 -0.006 0.000 1.541 382 Y HN 0.375 nan 8.280 nan 0.000 0.640 383 N N -0.570 118.187 118.700 0.096 0.000 2.714 383 N HA -0.217 4.522 4.740 -0.001 0.000 0.250 383 N C -0.621 174.946 175.510 0.095 0.000 1.117 383 N CA 1.506 54.600 53.050 0.073 0.000 0.719 383 N CB -0.565 37.955 38.487 0.055 0.000 1.081 383 N HN 0.650 nan 8.380 nan 0.000 0.557 384 D N -0.294 120.181 120.400 0.124 0.000 2.440 384 D HA 0.154 4.794 4.640 -0.001 0.000 0.239 384 D C 1.454 177.845 176.300 0.151 0.000 1.084 384 D CA -0.536 53.551 54.000 0.145 0.000 0.843 384 D CB 0.439 41.288 40.800 0.081 0.000 1.097 384 D HN 0.416 nan 8.370 nan 0.000 0.531 385 H N 2.735 121.774 119.070 -0.052 0.000 2.390 385 H HA -0.095 4.461 4.556 -0.001 0.000 0.298 385 H C 1.228 176.442 175.328 -0.189 0.000 1.106 385 H CA 0.964 56.953 56.048 -0.098 0.000 1.297 385 H CB 0.230 29.946 29.762 -0.076 0.000 1.375 385 H HN 0.226 nan 8.280 nan 0.000 0.509 386 R N -0.128 120.087 120.500 -0.475 0.000 2.148 386 R HA -0.009 4.331 4.340 -0.001 0.000 0.223 386 R C 2.113 178.258 176.300 -0.258 0.000 1.088 386 R CA 0.968 56.791 56.100 -0.462 0.000 0.985 386 R CB 0.004 30.023 30.300 -0.469 0.000 0.880 386 R HN 0.370 nan 8.270 nan 0.000 0.451 387 M N 0.415 119.940 119.600 -0.126 0.000 2.132 387 M HA -0.059 4.420 4.480 -0.001 0.000 0.263 387 M C 2.439 178.788 176.300 0.081 0.000 1.065 387 M CA 1.490 56.810 55.300 0.035 0.000 1.122 387 M CB -0.941 31.684 32.600 0.042 0.000 1.365 387 M HN 0.151 nan 8.290 nan 0.000 0.411 388 A N 0.040 122.844 122.820 -0.025 0.000 1.877 388 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 388 A C 2.233 179.702 177.584 -0.193 0.000 1.186 388 A CA 1.712 53.752 52.037 0.004 0.000 0.620 388 A CB -0.548 18.478 19.000 0.044 0.000 0.822 388 A HN 0.494 nan 8.150 nan 0.000 0.443 389 M N -1.476 117.731 119.600 -0.654 0.000 2.156 389 M HA -0.116 4.364 4.480 -0.001 0.000 0.264 389 M C 2.501 178.356 176.300 -0.741 0.000 1.067 389 M CA 1.335 55.837 55.300 -1.329 0.000 1.131 389 M CB -0.635 30.502 32.600 -2.438 0.000 1.368 389 M HN 0.650 nan 8.290 nan 0.000 0.416 390 C N 0.440 119.519 119.300 -0.367 0.000 2.413 390 C HA -0.175 4.284 4.460 -0.001 0.000 0.276 390 C C 2.467 177.318 174.990 -0.233 0.000 1.236 390 C CA 0.898 59.827 59.018 -0.148 0.000 1.735 390 C CB -1.028 26.627 27.740 -0.142 0.000 2.031 390 C HN 0.490 nan 8.230 nan 0.000 0.474 391 F N 1.889 121.805 119.950 -0.056 0.000 2.748 391 F HA 0.001 4.528 4.527 -0.001 0.000 0.299 391 F C 2.647 178.484 175.800 0.061 0.000 1.154 391 F CA 1.142 59.146 58.000 0.007 0.000 1.446 391 F CB -0.246 38.746 39.000 -0.015 0.000 1.112 391 F HN 0.388 nan 8.300 nan 0.000 0.584 392 S N 0.195 115.994 115.700 0.165 0.000 2.419 392 S HA -0.165 4.305 4.470 -0.001 0.000 0.233 392 S C 1.823 176.528 174.600 0.175 0.000 1.016 392 S CA 0.882 59.232 58.200 0.250 0.000 0.974 392 S CB -0.842 62.564 63.200 0.344 0.000 0.786 392 S HN 0.477 nan 8.310 nan 0.000 0.492 393 L N 1.158 122.446 121.223 0.108 0.000 2.456 393 L HA 0.035 4.374 4.340 -0.001 0.000 0.224 393 L C 2.296 179.305 176.870 0.232 0.000 1.148 393 L CA 0.322 55.230 54.840 0.114 0.000 0.825 393 L CB -0.685 41.430 42.059 0.093 0.000 0.937 393 L HN 0.243 nan 8.230 nan 0.000 0.450 394 V N 0.514 120.563 119.914 0.226 0.000 2.594 394 V HA -0.245 3.874 4.120 -0.001 0.000 0.253 394 V C 2.660 178.927 176.094 0.288 0.000 1.069 394 V CA 1.626 64.098 62.300 0.286 0.000 1.082 394 V CB -0.684 31.247 31.823 0.180 0.000 0.680 394 V HN 0.516 nan 8.190 nan 0.000 0.469 395 A N -0.390 122.551 122.820 0.201 0.000 2.172 395 A HA 0.041 4.361 4.320 -0.001 0.000 0.216 395 A C 1.643 179.300 177.584 0.122 0.000 1.154 395 A CA 0.701 52.831 52.037 0.155 0.000 0.701 395 A CB -0.476 18.603 19.000 0.131 0.000 0.789 395 A HN 0.550 nan 8.150 nan 0.000 0.465 396 L N 1.308 122.583 121.223 0.087 0.000 2.922 396 L HA 0.110 4.450 4.340 -0.001 0.000 0.244 396 L C 0.786 177.658 176.870 0.002 0.000 1.324 396 L CA 0.021 54.818 54.840 -0.071 0.000 1.172 396 L CB -0.929 40.925 42.059 -0.341 0.000 1.545 396 L HN 0.550 nan 8.230 nan 0.000 0.438 397 S N -3.651 112.156 115.700 0.178 0.000 2.998 397 S HA 0.340 4.809 4.470 -0.001 0.000 0.321 397 S C 0.239 174.930 174.600 0.151 0.000 1.171 397 S CA -0.784 57.568 58.200 0.254 0.000 0.882 397 S CB 1.304 64.740 63.200 0.394 0.000 1.301 397 S HN 0.043 nan 8.310 nan 0.000 0.629 398 D N 1.017 121.500 120.400 0.137 0.000 2.348 398 D HA 0.178 4.818 4.640 -0.001 0.000 0.211 398 D C 0.382 176.743 176.300 0.102 0.000 0.998 398 D CA 0.831 54.890 54.000 0.098 0.000 0.873 398 D CB 0.280 41.128 40.800 0.080 0.000 0.925 398 D HN 0.496 nan 8.370 nan 0.000 0.524 399 T N 1.662 116.292 114.554 0.126 0.000 2.859 399 T HA 0.372 4.722 4.350 -0.001 0.000 0.281 399 T C -2.659 172.140 174.700 0.165 0.000 1.005 399 T CA -2.222 59.965 62.100 0.144 0.000 1.025 399 T CB 2.153 71.113 68.868 0.154 0.000 0.977 399 T HN -0.198 nan 8.240 nan 0.000 0.458 400 P HA 0.450 nan 4.420 nan 0.000 0.277 400 P C -1.157 176.291 177.300 0.247 0.000 1.271 400 P CA -0.521 62.700 63.100 0.203 0.000 0.795 400 P CB 1.026 32.844 31.700 0.196 0.000 1.101 401 V N -0.602 119.415 119.914 0.171 0.000 2.932 401 V HA 0.403 4.523 4.120 -0.001 0.000 0.307 401 V C -1.007 175.105 176.094 0.030 0.000 1.147 401 V CA -0.340 61.969 62.300 0.014 0.000 0.951 401 V CB 2.349 34.191 31.823 0.032 0.000 1.031 401 V HN 0.552 nan 8.190 nan 0.000 0.426 402 T N 7.636 122.130 114.554 -0.100 0.000 2.771 402 T HA 0.585 4.934 4.350 -0.001 0.000 0.281 402 T C -0.500 174.153 174.700 -0.079 0.000 0.982 402 T CA -0.240 61.856 62.100 -0.006 0.000 0.978 402 T CB 0.778 69.727 68.868 0.135 0.000 0.930 402 T HN 0.443 nan 8.240 nan 0.000 0.447 403 I N 4.571 125.101 120.570 -0.067 0.000 2.330 403 I HA 0.328 4.497 4.170 -0.001 0.000 0.289 403 I C 0.311 176.382 176.117 -0.076 0.000 1.001 403 I CA -0.750 60.514 61.300 -0.060 0.000 1.193 403 I CB 0.922 38.905 38.000 -0.027 0.000 1.345 403 I HN 0.491 nan 8.210 nan 0.000 0.461 404 L N 5.184 126.366 121.223 -0.068 0.000 2.417 404 L HA 0.162 4.502 4.340 -0.001 0.000 0.268 404 L C 0.731 177.576 176.870 -0.041 0.000 1.158 404 L CA -0.164 54.638 54.840 -0.063 0.000 0.819 404 L CB 0.104 42.114 42.059 -0.083 0.000 1.112 404 L HN 0.613 nan 8.230 nan 0.000 0.458 405 D N 1.559 121.938 120.400 -0.034 0.000 2.697 405 D HA -0.136 4.504 4.640 -0.001 0.000 0.235 405 D C -1.325 174.991 176.300 0.026 0.000 1.167 405 D CA 0.303 54.298 54.000 -0.007 0.000 0.656 405 D CB 0.016 40.813 40.800 -0.005 0.000 1.025 405 D HN 0.365 nan 8.370 nan 0.000 0.419 406 P HA -0.210 nan 4.420 nan 0.000 0.219 406 P C 1.187 178.608 177.300 0.202 0.000 1.146 406 P CA 0.820 63.971 63.100 0.086 0.000 0.808 406 P CB 0.185 31.765 31.700 -0.201 0.000 0.779 407 K N 0.144 120.609 120.400 0.108 0.000 2.442 407 K HA -0.072 4.247 4.320 -0.001 0.000 0.198 407 K C 2.115 178.775 176.600 0.100 0.000 1.042 407 K CA 1.031 57.384 56.287 0.110 0.000 0.958 407 K CB -1.496 31.044 32.500 0.068 0.000 0.766 407 K HN 0.393 nan 8.250 nan 0.000 0.474 408 C N 0.389 119.745 119.300 0.093 0.000 2.449 408 C HA -0.019 4.440 4.460 -0.001 0.000 0.283 408 C C 2.538 177.583 174.990 0.091 0.000 1.453 408 C CA 0.841 59.905 59.018 0.077 0.000 1.779 408 C CB -1.721 26.062 27.740 0.072 0.000 1.779 408 C HN 0.496 nan 8.230 nan 0.000 0.546 409 T N -0.821 113.794 114.554 0.102 0.000 3.007 409 T HA 0.057 4.407 4.350 -0.001 0.000 0.270 409 T C 1.919 176.690 174.700 0.119 0.000 1.107 409 T CA 1.362 63.504 62.100 0.070 0.000 1.118 409 T CB -0.580 68.255 68.868 -0.056 0.000 0.889 409 T HN 0.777 nan 8.240 nan 0.000 0.506 410 A N 1.851 124.730 122.820 0.098 0.000 2.131 410 A HA -0.077 4.242 4.320 -0.001 0.000 0.220 410 A C 2.337 179.932 177.584 0.018 0.000 1.158 410 A CA 1.757 53.842 52.037 0.080 0.000 0.665 410 A CB -0.818 18.217 19.000 0.059 0.000 0.795 410 A HN 0.645 nan 8.150 nan 0.000 0.460 411 K N -0.472 119.903 120.400 -0.041 0.000 2.074 411 K HA -0.198 4.121 4.320 -0.001 0.000 0.209 411 K C 1.605 178.138 176.600 -0.111 0.000 1.048 411 K CA 2.092 58.273 56.287 -0.178 0.000 0.926 411 K CB -0.108 32.097 32.500 -0.492 0.000 0.713 411 K HN 0.643 nan 8.250 nan 0.000 0.444 412 T N -3.965 110.619 114.554 0.050 0.000 3.009 412 T HA 0.166 4.516 4.350 -0.001 0.000 0.267 412 T C -0.045 174.765 174.700 0.184 0.000 0.942 412 T CA -0.600 61.570 62.100 0.118 0.000 0.883 412 T CB 0.418 69.426 68.868 0.233 0.000 1.192 412 T HN 0.052 nan 8.240 nan 0.000 0.524 413 F N 2.083 122.074 119.950 0.068 0.000 2.946 413 F HA 0.482 5.009 4.527 -0.001 0.000 0.375 413 F C -2.758 173.095 175.800 0.088 0.000 1.320 413 F CA -3.068 54.985 58.000 0.088 0.000 1.181 413 F CB 1.856 40.918 39.000 0.103 0.000 2.051 413 F HN -0.179 nan 8.300 nan 0.000 0.622 414 P HA -0.130 nan 4.420 nan 0.000 0.216 414 P C 0.607 178.031 177.300 0.207 0.000 1.150 414 P CA 1.587 64.818 63.100 0.219 0.000 0.843 414 P CB 0.361 32.154 31.700 0.155 0.000 0.787 415 D N -2.821 117.749 120.400 0.284 0.000 2.336 415 D HA -0.006 4.633 4.640 -0.001 0.000 0.228 415 D C 1.304 177.530 176.300 -0.124 0.000 1.120 415 D CA -0.208 53.882 54.000 0.150 0.000 0.839 415 D CB -0.765 40.162 40.800 0.212 0.000 0.932 415 D HN 0.166 nan 8.370 nan 0.000 0.509 416 Y N 0.894 120.840 120.300 -0.591 0.000 2.040 416 Y HA -0.346 4.204 4.550 -0.001 0.000 0.275 416 Y C 1.593 177.090 175.900 -0.671 0.000 1.171 416 Y CA 1.799 59.181 58.100 -1.197 0.000 1.123 416 Y CB -0.455 37.231 38.460 -1.291 0.000 0.963 416 Y HN -0.086 nan 8.280 nan 0.000 0.493 417 F N 0.481 120.248 119.950 -0.305 0.000 2.216 417 F HA -0.147 4.379 4.527 -0.001 0.000 0.300 417 F C 2.620 178.282 175.800 -0.231 0.000 1.085 417 F CA 1.724 59.559 58.000 -0.275 0.000 1.326 417 F CB -0.660 38.305 39.000 -0.058 0.000 1.027 417 F HN 0.173 nan 8.300 nan 0.000 0.497 418 E N 0.403 120.589 120.200 -0.024 0.000 2.106 418 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 418 E C 1.986 178.529 176.600 -0.095 0.000 0.984 418 E CA 1.037 57.421 56.400 -0.027 0.000 0.806 418 E CB -0.072 29.630 29.700 0.004 0.000 0.750 418 E HN 0.375 nan 8.360 nan 0.000 0.458 419 Q N 0.392 120.089 119.800 -0.170 0.000 2.079 419 Q HA -0.133 4.206 4.340 -0.001 0.000 0.200 419 Q C 2.364 178.242 176.000 -0.204 0.000 0.974 419 Q CA 0.783 56.465 55.803 -0.202 0.000 0.840 419 Q CB -0.502 28.140 28.738 -0.162 0.000 0.898 419 Q HN 0.270 nan 8.270 nan 0.000 0.430 420 L N 0.744 121.843 121.223 -0.206 0.000 2.046 420 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 420 L C 2.099 178.940 176.870 -0.048 0.000 1.077 420 L CA 2.092 56.887 54.840 -0.076 0.000 0.747 420 L CB -0.820 41.035 42.059 -0.340 0.000 0.896 420 L HN 0.109 nan 8.230 nan 0.000 0.432 421 A N -0.425 122.361 122.820 -0.057 0.000 1.969 421 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 421 A C 2.513 180.074 177.584 -0.038 0.000 1.169 421 A CA 1.559 53.584 52.037 -0.021 0.000 0.635 421 A CB -0.647 18.350 19.000 -0.004 0.000 0.810 421 A HN 0.526 nan 8.150 nan 0.000 0.445 422 R N 0.398 120.857 120.500 -0.069 0.000 2.091 422 R HA -0.140 4.200 4.340 -0.001 0.000 0.238 422 R C 1.816 178.071 176.300 -0.075 0.000 1.136 422 R CA 2.059 58.112 56.100 -0.078 0.000 0.959 422 R CB -0.476 29.755 30.300 -0.114 0.000 0.856 422 R HN 0.711 nan 8.270 nan 0.000 0.437 423 I N -1.781 118.742 120.570 -0.079 0.000 3.793 423 I HA 0.194 4.364 4.170 -0.001 0.000 0.315 423 I C -0.187 175.917 176.117 -0.022 0.000 1.275 423 I CA -0.150 61.117 61.300 -0.055 0.000 1.214 423 I CB 0.509 38.478 38.000 -0.051 0.000 1.018 423 I HN -0.145 nan 8.210 nan 0.000 0.439 424 S N 2.846 118.537 115.700 -0.014 0.000 2.481 424 S HA 0.314 4.783 4.470 -0.001 0.000 0.276 424 S C -0.067 174.528 174.600 -0.009 0.000 1.247 424 S CA -0.440 57.759 58.200 -0.003 0.000 1.053 424 S CB 0.502 63.707 63.200 0.008 0.000 0.925 424 S HN 0.307 nan 8.310 nan 0.000 0.491 425 Q N 1.471 121.267 119.800 -0.008 0.000 2.337 425 Q HA 0.525 4.864 4.340 -0.001 0.000 0.266 425 Q C 0.508 176.506 176.000 -0.005 0.000 1.023 425 Q CA -0.638 55.159 55.803 -0.010 0.000 0.829 425 Q CB 1.749 30.479 28.738 -0.014 0.000 1.306 425 Q HN 0.658 nan 8.270 nan 0.000 0.449 426 A N 1.074 123.892 122.820 -0.003 0.000 2.021 426 A HA 0.387 4.707 4.320 -0.001 0.000 0.216 426 A C 0.802 178.386 177.584 -0.001 0.000 1.163 426 A CA 1.287 53.325 52.037 0.000 0.000 0.676 426 A CB 0.178 19.178 19.000 0.001 0.000 0.818 426 A HN 0.673 nan 8.150 nan 0.000 0.453 427 A N 0.000 122.818 122.820 -0.004 0.000 2.254 427 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 427 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486